| 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 | 23.5 | Very low | 25.7 | Very low | 234 Ų | 234 | 94.9 Ų | 94.9 | 100% | 1.153 | 50% | 0.503 | S | S | * | . | 0 | 110.9 | 0 | -73.1 | -169.5 | -52.2 | 0 | 0 | 104.5 | |||||
| 2 | E | 22.4 | Very low | 25.8 | Very low | 162 Ų | 162 | 95.2 Ų | 95.2 | 76% | 0.757 | 49% | 0.493 | S | S | * | . | cis | -149.7 | 125.2 | 17.2 | -72 | 149.9 | 143.2 | 0 | 0 | 105.7 | ||||
| 3 | D | 24 | Very low | 25.7 | Very low | 179 Ų | 179 | 88.5 Ų | 88.5 | 96% | 0.957 | 46% | 0.459 | S | S | * | . | trans | -102.9 | 87.9 | 159.4 | -85.2 | -36.8 | 0 | 0 | 0 | 105.9 | A5 | D3-A5 PolarHBondContact O-N 2.84Š| ||
| 4 | E | 24.6 | Very low | 25.6 | Very low | 96 Ų | 96 | 88.1 Ų | 88.1 | 45% | 0.449 | 46% | 0.457 | S | S | . | . | trans | -74.2 | 110.5 | -179.7 | -143.9 | 172.7 | -158 | 0 | 0 | 107.4 | R6 H143 | E4-R6 HydrophobicContact CB-CG 4.11Å; E4-R6 HydrophobicContact CG-CG 4.14Å; E4-R6 PolarHBondContact O-N 3.12Å; E4-R6 IonicContact OE2-CZ 2.87Å; E4-R6 IonicContact OE2-NE 3.41Å; E4-R6 PolarHBondContact OE2-NE 2.91Å; E4-R6 IonicContact OE2-NH2 3.66Å; E4-R6 PolarHBondContact OE2-NH2 3.33Å; E4-H143 IonicContact OE1-CE1 3.72Å; E4-H143 PolarHBondContact OE1-CE1 2.81Å; E4-H143 VanDerWaalsContact OE1-CE1 3.29Å; E4-H143 IonicContact OE2-CE1 3.29Å | ||
| 5 | A | 25.3 | Very low | 25.6 | Very low | 55 Ų | 55 | 86.7 Ų | 86.7 | 46% | 0.455 | 45% | 0.45 | S | S | . | . | trans | -67.3 | 72.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | D3 L173 | D3-A5 PolarHBondContact O-N 2.84Å; A5-L173 HydrophobicContact CB-CD2 4.47Å | ||
| 6 | R | 27 | Very low | 25.7 | Very low | 96 Ų | 96 | 89.1 Ų | 89.1 | 36% | 0.362 | 46% | 0.463 | S | S | . | . | trans | -70.1 | 137 | 172.5 | -69.4 | -179.2 | 175.1 | -170.1 | -2.1 | 107.8 | E4 S8 N139 H143 | E4-R6 HydrophobicContact CB-CG 4.11Å; E4-R6 HydrophobicContact CG-CG 4.14Å; E4-R6 PolarHBondContact O-N 3.12Å; E4-R6 IonicContact OE2-CZ 2.87Å; E4-R6 IonicContact OE2-NE 3.41Å; E4-R6 PolarHBondContact OE2-NE 2.91Å; E4-R6 IonicContact OE2-NH2 3.66Å; E4-R6 PolarHBondContact OE2-NH2 3.33Å; R6-S8 PolarHBondContact O-N 2.79Å; R6-N139 PolarHBondContact NH1-OD1 3.33Å; R6-H143 PolarHBondContact NH2-NE2 3.39Å | ||
| 7 | L | 26.5 | Very low | 25.5 | Very low | 46 Ų | 46 | 87.4 Ų | 87.4 | 24% | 0.241 | 46% | 0.458 | C | S | . | . | trans | -57.6 | 80 | 144.7 | -97.7 | 121.2 | 0 | 0 | 0 | 107.3 | I9 N146 R309 M310 | L7-I9 VanDerWaalsContact C-N 3.26Å; L7-I9 PolarHBondContact O-N 3.23Å; L7-N146 WeakPolarHBondContact CD1-OD1 3.34Å; L7-R309 HydrophobicContact CD2-CG 4.49Å; L7-M310 HydrophobicContact CD2-CE 3.81Å; L7-M310 HydrophobicContact CD2-SD 4.27Å | ||
| 8 | S | 28 | Very low | 25.4 | Very low | 57 Ų | 57 | 86.3 Ų | 86.3 | 40% | 0.399 | 46% | 0.458 | S | S | . | . | trans | -69.4 | 96.4 | 162.4 | 178.3 | 0 | 0 | 0 | 0 | 105.5 | R6 C10 P11 | R6-S8 PolarHBondContact O-N 2.79Å; S8-C10 PolarHBondContact O-N 3.1Å; S8-C10 PolarHBondContact OG-N 3.39Å; S8-P11 WeakPolarHBondContact O-CD 3.4Å | ||
| 9 | I | 27.5 | Very low | 25.2 | Very low | 10 Ų | 10 | 88.9 Ų | 88.9 | 5% | 0.051 | 47% | 0.472 | C | S | . | . | trans | -67.5 | -5 | 169.6 | -64.8 | 168.7 | 0 | 0 | 0 | 109.8 | L7 Y142 L285 L306 | L7-I9 VanDerWaalsContact C-N 3.26Å; L7-I9 PolarHBondContact O-N 3.23Å; I9-Y142 HydrophobicContact CB-CE1 4.16Å; I9-Y142 HydrophobicContact CD1-CD1 4.15Å; I9-Y142 HydrophobicContact CD1-CE1 4.32Å; I9-L285 HydrophobicContact CD1-CD1 3.99Å; I9-L306 HydrophobicContact CD1-CD2 3.83Å | ||
| 10 | C | 26.2 | Very low | 25.1 | Very low | 22 Ų | 22 | 90 Ų | 90 | 15% | 0.149 | 47% | 0.472 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 28.9 | -165.1 | -72.2 | 0 | 0 | 0 | 0 | 119.7 | S8 Y12 M13 Y142 | S8-C10 PolarHBondContact O-N 3.1Å; S8-C10 PolarHBondContact OG-N 3.39Å; C10-Y12 PolarHBondContact O-N 3.41Å; C10-M13 HydrophobicContact CB-CE 4.4Å; C10-M13 WeakPolarHBondContact SG-CE 3.27Å; C10-Y142 PolarHBondContact SG-OH 2.94Å |
| 11 | P | 27.8 | Very low | 25 | Very low | 87 Ų | 87 | 92.6 Ų | 92.6 | 57% | 0.565 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -9.5 | 161 | 23.3 | -22.8 | 0 | 0 | 0 | 113.4 | S8 | S8-P11 WeakPolarHBondContact O-CD 3.4Š|
| 12 | Y | 26.9 | Very low | 24.9 | Very low | 98 Ų | 98 | 87.4 Ų | 87.4 | 38% | 0.384 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -104.7 | -2.5 | -169.5 | -61.2 | -75.8 | 0 | 0 | 0 | 116.7 | C10 N118 | C10-Y12 PolarHBondContact O-N 3.41Å; Y12-N118 PolarHBondContact O-ND2 2.85Å |
| 13 | M | 23.9 | Very low | 24.9 | Very low | 9 Ų | 9 | 85.4 Ų | 85.4 | 4% | 0.044 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -88.1 | -13.5 | -172.2 | -79.4 | -147.7 | -77.9 | 0 | 0 | 115.4 | C10 N118 W121 F122 Y289 F293 | C10-M13 HydrophobicContact CB-CE 4.4Å; C10-M13 WeakPolarHBondContact SG-CE 3.27Å; M13-N118 PolarHBondContact O-N 3.3Å; M13-W121 HydrophobicContact CG-CE3 4.45Å; M13-W121 HydrophobicContact SD-CE3 4.26Å; M13-W121 HydrophobicContact SD-CZ3 4.44Å; M13-F122 HydrophobicContact SD-CE2 3.98Å; M13-F122 HydrophobicContact SD-CZ 4.4Å; M13-Y289 HydrophobicContact CE-CD1 4.1Å; M13-Y289 HydrophobicContact CE-CE1 3.27Å; M13-Y289 HydrophobicContact SD-CD1 4.2Å; M13-Y289 HydrophobicContact SD-CE1 3.75Å; M13-F293 HydrophobicContact CE-CE2 4.02Å; M13-F293 HydrophobicContact CE-CZ 3.59Å; M13-F293 HydrophobicContact SD-CE1 4.5Å; M13-F293 HydrophobicContact SD-CE2 4.45Å; M13-F293 HydrophobicContact SD-CZ 4.02Å |
| 14 | L | 24.6 | Very low | 24.7 | Very low | 82 Ų | 82 | 82.1 Ų | 82.1 | 43% | 0.429 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 128.3 | -167.9 | -56.8 | 177.7 | 0 | 0 | 0 | 111.3 | T115 F130 | L14-T115 HydrophobicContact CB-CG2 3.69Å; L14-T115 HydrophobicContact CD1-CG2 4.21Å; L14-T115 HydrophobicContact CD2-CG2 3.59Å; L14-T115 HydrophobicContact CG-CG2 4Å; L14-F130 HydrophobicContact CD1-CD1 4.36Å; L14-F130 HydrophobicContact CD1-CE1 4.05Å; L14-F130 HydrophobicContact CD2-CB 4.22Å; L14-F130 HydrophobicContact CD2-CD1 3.54Å; L14-F130 HydrophobicContact CD2-CD2 4.04Å; L14-F130 HydrophobicContact CD2-CE1 3.78Å; L14-F130 HydrophobicContact CD2-CE2 4.24Å; L14-F130 HydrophobicContact CD2-CG 3.66Å; L14-F130 HydrophobicContact CD2-CZ 4.11Å |
| 15 | L | 25.8 | Very low | 24.6 | Very low | 67 Ų | 67 | 83.3 Ų | 83.3 | 35% | 0.351 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 120.5 | 171 | -118 | 144.3 | 0 | 0 | 0 | 108.3 | V17 | L15-V17 PolarHBondContact O-N 2.85Å |
| 16 | D | 26.7 | Very low | 24.4 | Very low | 125 Ų | 125 | 87.7 Ų | 87.7 | 67% | 0.668 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 106.4 | 174 | -82.8 | -31.1 | 0 | 0 | 0 | 110.1 | V113 | D16-V113 HydrophobicContact CB-CG1 4.41Å |
| 17 | V | 23.5 | Very low | 24.2 | Very low | 61 Ų | 61 | 87.1 Ų | 87.1 | 37% | 0.37 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 105.4 | 178.4 | -175.8 | 0 | 0 | 0 | 0 | 110 | L15 L19 V116 | L15-V17 PolarHBondContact O-N 2.85Å; V17-L19 HydrophobicContact CG1-CG 4.39Å; V17-L19 PolarHBondContact O-N 3.36Å; V17-V116 HydrophobicContact CG2-CG2 3.9Å |
| 18 | S | 23.5 | Very low | 23.9 | Very low | 67 Ų | 67 | 90 Ų | 90 | 47% | 0.469 | 52% | 0.524 | S | S | . | . | trans | -82.7 | 99.6 | 169.9 | 170 | 0 | 0 | 0 | 0 | 110.4 | K20 | S18-K20 PolarHBondContact O-N 3.4Š| ||
| 19 | L | 21.6 | Very low | 23.8 | Very low | 136 Ų | 136 | 93 Ų | 93 | 71% | 0.712 | 54% | 0.536 | S | S | * | . | trans | -75.4 | 85.1 | 172.5 | -80.4 | 157.5 | 0 | 0 | 0 | 111.2 | V17 | V17-L19 HydrophobicContact CG1-CG 4.39Å; V17-L19 PolarHBondContact O-N 3.36Å | ||
| 20 | K | 22.2 | Very low | 23.6 | Very low | 110 Ų | 110 | 100.9 Ų | 100.9 | 48% | 0.478 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -163.6 | 112.4 | 151.5 | -107.2 | 167 | -169.6 | 173.8 | 0 | 108.7 | S18 | S18-K20 PolarHBondContact O-N 3.4Š|
| 21 | N | 24.5 | Very low | 23.6 | Very low | 146 Ų | 146 | 104.6 Ų | 104.6 | 78% | 0.781 | 60% | 0.596 | S | S | * | * | S | Bend | trans | 59.6 | 91.3 | -173.1 | -69.6 | -2 | 0 | 0 | 0 | 114.3 | T23 | N21-T23 PolarHBondContact O-N 3.09Å; N21-T23 VanDerWaalsContact O-N 3.1Å; N21-T23 PolarHBondContact O-OG1 3.03Å |
| 22 | S | 21.2 | Very low | 23.5 | Very low | 125 Ų | 125 | 108.1 Ų | 108.1 | 87% | 0.874 | 60% | 0.599 | S | S | * | * | trans | -10.1 | 97.3 | 162 | 46.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 23 | T | 22 | Very low | 23.2 | Very low | 120 Ų | 120 | 112.4 Ų | 112.4 | 74% | 0.736 | 62% | 0.622 | S | S | * | * | trans | -143.3 | 103.7 | 153.1 | 14.2 | 0 | 0 | 0 | 0 | 107.4 | N21 | N21-T23 PolarHBondContact O-N 3.09Å; N21-T23 VanDerWaalsContact O-N 3.1Å; N21-T23 PolarHBondContact O-OG1 3.03Å | ||
| 24 | C | 20.3 | Very low | 23 | Very low | 110 Ų | 110 | 116.3 Ų | 116.3 | 74% | 0.743 | 65% | 0.651 | S | S | * | * | trans | -86.6 | 101.5 | 172.1 | -168.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 25 | N | 22.1 | Very low | 22.8 | Very low | 120 Ų | 120 | 119 Ų | 119 | 64% | 0.642 | 66% | 0.664 | S | S | * | * | trans | -97.9 | 100.5 | 171.2 | -78.6 | -17 | 0 | 0 | 0 | 108 | ||||
| 26 | I | 21.2 | Very low | 22.6 | Very low | 147 Ų | 147 | 123.8 Ų | 123.8 | 75% | 0.754 | 68% | 0.682 | S | S | * | * | trans | -78.2 | 114.4 | 165.5 | -60.1 | 169.9 | 0 | 0 | 0 | 106 | ||||
| 27 | A | 21.4 | Very low | 22.3 | Very low | 84 Ų | 84 | 122.8 Ų | 122.8 | 69% | 0.694 | 68% | 0.68 | S | S | * | * | trans | -129.6 | 102.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 28 | C | 20.5 | Very low | 22.2 | Very low | 106 Ų | 106 | 125.6 Ų | 125.6 | 72% | 0.716 | 70% | 0.698 | S | S | * | * | trans | -66.2 | 145.6 | 166.6 | -60.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 29 | N | 26.6 | Very low | 22 | Very low | 121 Ų | 121 | 129.2 Ų | 129.2 | 65% | 0.647 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 43.8 | 113.6 | 162.7 | -76.1 | -15.6 | 0 | 0 | 0 | 117.8 | ||
| 30 | E | 22.2 | Very low | 22 | Very low | 175 Ų | 175 | 130 Ų | 130 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 89.9 | 121.4 | -171.3 | -57.5 | -163 | 171 | 0 | 0 | 113.3 | ||
| 31 | P | 27.9 | Very low | 22 | Very low | 100 Ų | 100 | 129 Ų | 129 | 65% | 0.649 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -66.1 | 157.7 | 172.4 | 29.4 | -27.9 | 0 | 0 | 0 | 107.4 | ||
| 32 | W | 24.3 | Very low | 21.8 | Very low | 162 Ų | 162 | 131.4 Ų | 131.4 | 61% | 0.614 | 73% | 0.731 | S | S | * | * | trans | 88.3 | 84.3 | 176.1 | -38.7 | 101.9 | 0 | 0 | 0 | 116.6 | R187 | W32-R187 VanDerWaalsContact CD1-CZ 3.5Å; W32-R187 VanDerWaalsContact CG-NH1 3.29Å; W32-R187 VanDerWaalsContact NE1-CZ 3.26Å | ||
| 33 | Q | 20.5 | Very low | 21.9 | Very low | 187 Ų | 187 | 133.4 Ų | 133.4 | 87% | 0.874 | 73% | 0.727 | S | S | * | * | -145.9 | 96.8 | 115 | -76.9 | -158.4 | -13.4 | 0 | 0 | 110.7 | |||||
| 34 | S | 20.6 | Very low | 22 | Very low | 92 Ų | 92 | 133.8 Ų | 133.8 | 64% | 0.643 | 73% | 0.731 | S | S | * | * | trans | -172.9 | 79.3 | 141 | -176.8 | 0 | 0 | 0 | 0 | 108 | K36 | S34-K36 VanDerWaalsContact C-N 3.29Å; S34-K36 PolarHBondContact O-N 3.23Å; S34-K36 VanDerWaalsContact O-N 3.12Å | ||
| 35 | I | 21 | Very low | 22.3 | Very low | 137 Ų | 137 | 132 Ų | 132 | 70% | 0.703 | 73% | 0.731 | S | S | * | * | trans | -75.3 | 94.2 | 159.2 | -56.8 | 177.7 | 0 | 0 | 0 | 105.3 | V37 | I35-V37 HydrophobicContact CB-CG2 4.48Å; I35-V37 HydrophobicContact CG2-CB 4.5Å; I35-V37 HydrophobicContact CG2-CG2 3.38Å; I35-V37 PolarHBondContact O-N 3.2Å | ||
| 36 | K | 20.4 | Very low | 22.5 | Very low | 168 Ų | 168 | 138 Ų | 138 | 73% | 0.73 | 75% | 0.745 | S | S | * | * | trans | -70.6 | 86.8 | 157.1 | -109.8 | -179.5 | 179.4 | 173.2 | 0 | 106.4 | S34 T38 | S34-K36 VanDerWaalsContact C-N 3.29Å; S34-K36 PolarHBondContact O-N 3.23Å; S34-K36 VanDerWaalsContact O-N 3.12Å; K36-T38 VanDerWaalsContact C-N 3.29Å; K36-T38 PolarHBondContact O-N 2.87Å | ||
| 37 | V | 20.5 | Very low | 22.8 | Very low | 104 Ų | 104 | 137.1 Ų | 137.1 | 63% | 0.63 | 75% | 0.752 | S | S | * | * | trans | -66.5 | 99.1 | 162.2 | -176 | 0 | 0 | 0 | 0 | 105.5 | I35 L39 | I35-V37 HydrophobicContact CB-CG2 4.48Å; I35-V37 HydrophobicContact CG2-CB 4.5Å; I35-V37 HydrophobicContact CG2-CG2 3.38Å; I35-V37 PolarHBondContact O-N 3.2Å; V37-L39 HydrophobicContact CG1-CG 4.07Å; V37-L39 PolarHBondContact O-N 3.46Å | ||
| 38 | T | 21.2 | Very low | 22.9 | Very low | 121 Ų | 121 | 135.9 Ų | 135.9 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | trans | -68.1 | 84.5 | 160 | -56.2 | 0 | 0 | 0 | 0 | 106.2 | K36 L40 | K36-T38 VanDerWaalsContact C-N 3.29Å; K36-T38 PolarHBondContact O-N 2.87Å; T38-L40 PolarHBondContact O-N 3.43Å | ||
| 39 | L | 20.4 | Very low | 23 | Very low | 143 Ų | 143 | 137.7 Ų | 137.7 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | trans | -56.2 | 109 | 163.5 | -98.3 | 150 | 0 | 0 | 0 | 105.8 | V37 A41 | V37-L39 HydrophobicContact CG1-CG 4.07Å; V37-L39 PolarHBondContact O-N 3.46Å; L39-A41 PolarHBondContact O-N 3.25Å | ||
| 40 | L | 21.8 | Very low | 22.9 | Very low | 152 Ų | 152 | 138.1 Ų | 138.1 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | trans | -44.9 | 126.5 | 171.6 | -76.5 | 160.8 | 0 | 0 | 0 | 108.2 | T38 F42 | T38-L40 PolarHBondContact O-N 3.43Å; L40-F42 PolarHBondContact O-N 3.01Å | ||
| 41 | A | 20.9 | Very low | 23 | Very low | 90 Ų | 90 | 139 Ų | 139 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | trans | -52 | 103.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | L39 H43 | L39-A41 PolarHBondContact O-N 3.25Å; A41-H43 PolarHBondContact O-N 3.29Å; A41-H43 VanDerWaalsContact O-N 3.09Å | ||
| 42 | F | 21.4 | Very low | 22.8 | Very low | 195 Ų | 195 | 139.9 Ų | 139.9 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | trans | -68.7 | 103.8 | 160.4 | -100.9 | -94.9 | 0 | 0 | 0 | 106.1 | L40 P44 | L40-F42 PolarHBondContact O-N 3.01Å; F42-P44 WeakPolarHBondContact O-CD 3.43Å | ||
| 43 | H | 23.1 | Very low | 22.6 | Very low | 168 Ų | 168 | 138.5 Ų | 138.5 | 78% | 0.778 | 78% | 0.783 | S | S | * | * | trans | -58.2 | 121.6 | 169 | -91.5 | -63.2 | 0 | 0 | 0 | 108.5 | A41 G45 | A41-H43 PolarHBondContact O-N 3.29Å; A41-H43 VanDerWaalsContact O-N 3.09Å; H43-G45 PolarHBondContact O-N 2.98Å; H43-G45 VanDerWaalsContact O-N 3.17Å | ||
| 44 | P | 24.1 | Very low | 23 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 114.2 | -179.3 | 28.2 | -30.6 | 0 | 0 | 0 | 107.6 | F42 | F42-P44 WeakPolarHBondContact O-CD 3.43Š|
| 45 | G | 25.8 | Very low | 23.1 | Very low | 73 Ų | 73 | 137.5 Ų | 137.5 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 164.6 | -6.7 | 175 | 0 | 0 | 0 | 0 | 0 | 119.1 | H43 | H43-G45 PolarHBondContact O-N 2.98Å; H43-G45 VanDerWaalsContact O-N 3.17Å |
| 46 | R | 26.5 | Very low | 23.3 | Very low | 245 Ų | 245 | 136.7 Ų | 136.7 | 93% | 0.925 | 79% | 0.788 | S | S | * | * | trans | -135.8 | 103.3 | 171.7 | -79.5 | -170.2 | 176.6 | -171.9 | -0.7 | 112.3 | ||||
| 47 | S | 27.1 | Very low | 23.6 | Very low | 129 Ų | 129 | 134.3 Ų | 134.3 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | trans | -60.2 | 128.3 | 162.9 | 50.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 48 | G | 25.5 | Very low | 24 | Very low | 59 Ų | 59 | 134.9 Ų | 134.9 | 61% | 0.608 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 110.8 | 108.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | T50 | G48-T50 VanDerWaalsContact C-N 3.29Å; G48-T50 PolarHBondContact O-N 3.36Å; G48-T50 PolarHBondContact O-OG1 3.06Å |
| 49 | C | 22.1 | Very low | 24 | Very low | 143 Ų | 143 | 135.1 Ų | 135.1 | 97% | 0.966 | 80% | 0.802 | S | S | * | * | trans | -61.3 | 88.6 | 166.6 | -61.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 50 | T | 23.4 | Very low | 24.3 | Very low | 130 Ų | 130 | 133.5 Ų | 133.5 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | trans | -103.6 | 127.1 | 164.5 | 25.9 | 0 | 0 | 0 | 0 | 108.3 | G48 | G48-T50 VanDerWaalsContact C-N 3.29Å; G48-T50 PolarHBondContact O-N 3.36Å; G48-T50 PolarHBondContact O-OG1 3.06Å | ||
| 51 | K | 24.7 | Very low | 24.4 | Very low | 194 Ų | 194 | 133 Ų | 133 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | -53.8 | 128.8 | -176.3 | -158.1 | 177.7 | -174.1 | -177.8 | 0 | 109.4 | T53 | K51-T53 PolarHBondContact O-N 3.33Š| ||
| 52 | P | 23.6 | Very low | 24.6 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | -66.9 | 111.2 | 176.6 | -15.2 | 28.4 | 0 | 0 | 0 | 109.6 | ||||
| 53 | T | 20.9 | Very low | 24.6 | Very low | 133 Ų | 133 | 128.4 Ų | 128.4 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | trans | -86.5 | 108.3 | 160.3 | -53.5 | 0 | 0 | 0 | 0 | 106.5 | K51 | K51-T53 PolarHBondContact O-N 3.33Š| ||
| 54 | I | 27.6 | Very low | 24.6 | Very low | 151 Ų | 151 | 128.9 Ų | 128.9 | 77% | 0.774 | 80% | 0.798 | S | S | * | * | trans | -88.2 | 131.4 | 168.4 | -63.7 | 177.6 | 0 | 0 | 0 | 108 | ||||
| 55 | P | 23.6 | Very low | 24.7 | Very low | 107 Ų | 107 | 127.6 Ų | 127.6 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | trans | -74.9 | 143.2 | -175.5 | -9.8 | 27.1 | 0 | 0 | 0 | 112.3 | S57 | P55-S57 PolarHBondContact O-N 2.86Å; P55-S57 VanDerWaalsContact O-N 3.09Å | ||
| 56 | S | 24.2 | Very low | 24.5 | Very low | 120 Ų | 120 | 129.1 Ų | 129.1 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | -60.1 | 103.3 | 164.1 | 50.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 57 | S | 28.5 | Very low | 24.4 | Very low | 117 Ų | 117 | 124.8 Ų | 124.8 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 128.9 | 155.1 | 46.3 | 0 | 0 | 0 | 0 | 108.6 | P55 | P55-S57 PolarHBondContact O-N 2.86Å; P55-S57 VanDerWaalsContact O-N 3.09Å |
| 58 | S | 27.4 | Very low | 24.1 | Very low | 117 Ų | 117 | 127.6 Ų | 127.6 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 137.1 | -172 | 43.2 | 0 | 0 | 0 | 0 | 114 | ||
| 59 | V | 22.1 | Very low | 24 | Very low | 126 Ų | 126 | 132.3 Ų | 132.3 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 141.7 | 158.2 | 172.3 | 0 | 0 | 0 | 0 | 112.5 | ||
| 60 | S | 26 | Very low | 24 | Very low | 108 Ų | 108 | 132.2 Ų | 132.2 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | 175.4 | 138.4 | 142.5 | -72.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 61 | N | 24.7 | Very low | 23.9 | Very low | 141 Ų | 141 | 135.1 Ų | 135.1 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | cis | -162.8 | 130.9 | -15.8 | -112.4 | -7.6 | 0 | 0 | 0 | 104.2 | ||||
| 62 | G | 23.9 | Very low | 23.8 | Very low | 79 Ų | 79 | 129.5 Ų | 129.5 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | trans | -142.4 | 71.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 63 | T | 22.8 | Very low | 23.8 | Very low | 110 Ų | 110 | 132.5 Ų | 132.5 | 68% | 0.675 | 80% | 0.795 | S | S | * | * | trans | -50.1 | 147.7 | 154.9 | -13.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 64 | E | 22.7 | Very low | 23.8 | Very low | 179 Ų | 179 | 133.8 Ų | 133.8 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | cis | -174.7 | 142.8 | 18 | -150.4 | 163.4 | -153.5 | 0 | 0 | 105.4 | ||||
| 65 | A | 25.1 | Very low | 23.6 | Very low | 100 Ų | 100 | 130.1 Ų | 130.1 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | 162.5 | 109.4 | 140.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 66 | S | 21.4 | Very low | 23.5 | Very low | 105 Ų | 105 | 134 Ų | 134 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | trans | -55.7 | 156.5 | 158.6 | -53.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 67 | D | 25.4 | Very low | 23.5 | Very low | 153 Ų | 153 | 133.5 Ų | 133.5 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | -166.3 | 125.2 | 118.3 | -88.5 | -25.1 | 0 | 0 | 0 | 111.5 | |||||
| 68 | Q | 20.7 | Very low | 23.2 | Very low | 188 Ų | 188 | 135.6 Ų | 135.6 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | trans | -73.9 | 135.1 | 159.6 | -64.9 | 175 | 2.5 | 0 | 0 | 107.8 | ||||
| 69 | I | 23.5 | Very low | 23 | Very low | 158 Ų | 158 | 134.8 Ų | 134.8 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | -137.1 | 119.6 | 157.7 | -61.2 | -177.1 | 0 | 0 | 0 | 110.2 | ||||
| 70 | N | 22.8 | Very low | 23.1 | Very low | 142 Ų | 142 | 133.6 Ų | 133.6 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | trans | -66.1 | 153 | 165.9 | -90.9 | -24.2 | 0 | 0 | 0 | 112.5 | ||||
| 71 | E | 21.2 | Very low | 22.9 | Very low | 191 Ų | 191 | 135.8 Ų | 135.8 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | trans | 19.2 | 131.1 | 143.2 | -56.4 | -172 | 156.7 | 0 | 0 | 121 | ||||
| 72 | G | 22.4 | Very low | 23.1 | Very low | 75 Ų | 75 | 135.2 Ų | 135.2 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | 120.1 | 105.1 | 138.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 73 | E | 22 | Very low | 22.9 | Very low | 182 Ų | 182 | 136.8 Ų | 136.8 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | trans | 48 | 130.9 | 145.3 | -72.6 | 178.2 | 146.1 | 0 | 0 | 124 | ||||
| 74 | D | 22.8 | Very low | 23 | Very low | 161 Ų | 161 | 136.8 Ų | 136.8 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | 66.9 | 122.4 | 145.7 | -69.2 | -22.1 | 0 | 0 | 0 | 122.6 | ||||
| 75 | G | 22.4 | Very low | 22.9 | Very low | 73 Ų | 73 | 135.3 Ų | 135.3 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | trans | 123.8 | 85.1 | 138.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 76 | K | 22.4 | Very low | 22.8 | Very low | 188 Ų | 188 | 133.8 Ų | 133.8 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | 60.8 | 130.1 | 123.1 | -134.5 | -177.5 | -177.9 | 176.9 | 0 | 121.5 | |||||
| 77 | T | 23.2 | Very low | 22.8 | Very low | 110 Ų | 110 | 137.9 Ų | 137.9 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | trans | 67.8 | 145.3 | 144.7 | 35.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 78 | E | 22.7 | Very low | 22.6 | Very low | 161 Ų | 161 | 138.9 Ų | 138.9 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | cis | -177.6 | 147.9 | -3.6 | 178.1 | 166 | -174.9 | 0 | 0 | 106.9 | ||||
| 79 | S | 21.7 | Very low | 22.9 | Very low | 101 Ų | 101 | 135.4 Ų | 135.4 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | 33.4 | 130.8 | 151.1 | -52.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 80 | A | 24.9 | Very low | 22.8 | Very low | 100 Ų | 100 | 135.3 Ų | 135.3 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | 171.9 | 141.9 | 93 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 81 | K | 22.1 | Very low | 22.7 | Very low | 155 Ų | 155 | 131.6 Ų | 131.6 | 67% | 0.674 | 77% | 0.772 | S | S | * | * | trans | -47.2 | 167.5 | 161.8 | -124.5 | -175.1 | -170.6 | -168.9 | 0 | 113.9 | D83 | K81-D83 WeakPolarHBondContact CD-OD2 3.17Å; K81-D83 WeakPolarHBondContact CE-OD1 3.28Å; K81-D83 WeakPolarHBondContact CE-OD2 3.01Å; K81-D83 IonicContact NZ-OD1 2.9Å; K81-D83 IonicContact NZ-OD2 2.74Å; K81-D83 PolarHBondContact NZ-OD2 3.06Å | ||
| 82 | P | 28.8 | Very low | 22.8 | Very low | 128 Ų | 128 | 129.5 Ų | 129.5 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | -149.2 | 170.1 | 69.1 | 35 | -12.5 | 0 | 0 | 0 | 118.3 | |||||
| 83 | D | 20.2 | Very low | 22.8 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 60% | 0.604 | 77% | 0.768 | S | S | * | * | trans | -86 | -179.8 | -178.8 | -58 | -57.3 | 0 | 0 | 0 | 115.1 | K81 | K81-D83 WeakPolarHBondContact CD-OD2 3.17Å; K81-D83 WeakPolarHBondContact CE-OD1 3.28Å; K81-D83 WeakPolarHBondContact CE-OD2 3.01Å; K81-D83 IonicContact NZ-OD1 2.9Å; K81-D83 IonicContact NZ-OD2 2.74Å; K81-D83 PolarHBondContact NZ-OD2 3.06Å | ||
| 84 | S | 24.3 | Very low | 23 | Very low | 109 Ų | 109 | 130 Ų | 130 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | trans | 95.2 | 108.5 | 154.8 | -82.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 85 | V | 21.3 | Very low | 23.1 | Very low | 149 Ų | 149 | 129.1 Ų | 129.1 | 90% | 0.903 | 75% | 0.752 | S | S | * | * | 74.4 | 116.7 | 67.4 | 176.6 | 0 | 0 | 0 | 0 | 113 | |||||
| 86 | G | 22.9 | Very low | 23.3 | Very low | 67 Ų | 67 | 133.2 Ų | 133.2 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | trans | 166.7 | 94.8 | 161.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 87 | K | 22 | Very low | 23.6 | Very low | 192 Ų | 192 | 130.1 Ų | 130.1 | 84% | 0.835 | 75% | 0.749 | S | S | * | * | trans | 50.8 | 117.4 | 136.9 | -61.8 | -175 | 176.9 | -174.4 | 0 | 120.2 | ||||
| 88 | E | 21 | Very low | 24.1 | Very low | 173 Ų | 173 | 131.8 Ų | 131.8 | 81% | 0.808 | 76% | 0.759 | S | S | * | * | 79.2 | 129 | 74.6 | -158 | 176.1 | -134.7 | 0 | 0 | 112.8 | |||||
| 89 | V | 25.9 | Very low | 24.6 | Very low | 115 Ų | 115 | 133 Ų | 133 | 70% | 0.697 | 76% | 0.764 | S | S | * | * | trans | 149.1 | 116.2 | 146.4 | 167.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 90 | D | 21.8 | Very low | 25 | Very low | 157 Ų | 157 | 135.5 Ų | 135.5 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | trans | 37.8 | 136.5 | 136.9 | -49.7 | -31.5 | 0 | 0 | 0 | 120.2 | ||||
| 91 | G | 21.3 | Very low | 25.5 | Very low | 63 Ų | 63 | 139 Ų | 139 | 65% | 0.649 | 77% | 0.768 | S | S | * | * | cis | 150.3 | 157.4 | 13.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 92 | I | 23 | Very low | 26.1 | Very low | 148 Ų | 148 | 141.1 Ų | 141.1 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | trans | 83.7 | 96.7 | 148.3 | -58.6 | 175.3 | 0 | 0 | 0 | 116.5 | ||||
| 93 | E | 22.8 | Very low | 26.5 | Very low | 178 Ų | 178 | 140.3 Ų | 140.3 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | 95.7 | 145.5 | 103.7 | -85.4 | -177.5 | 160.9 | 0 | 0 | 111.8 | |||||
| 94 | S | 24.9 | Very low | 27.4 | Very low | 88 Ų | 88 | 143.8 Ų | 143.8 | 62% | 0.615 | 78% | 0.783 | S | S | * | * | cis | -172.8 | 158.7 | 3.3 | 39.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 95 | N | 25.9 | Very low | 28.1 | Very low | 144 Ų | 144 | 145.3 Ų | 145.3 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | 68.2 | 134.6 | 158.6 | -69.6 | -9.2 | 0 | 0 | 0 | 118.6 | ||||
| 96 | E | 26.9 | Very low | 29.1 | Very low | 158 Ų | 158 | 142.6 Ų | 142.6 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | cis | -166.5 | 137.2 | 34.8 | -131.7 | 162.8 | -151.7 | 0 | 0 | 110.5 | ||||
| 97 | T | 27.6 | Very low | 29.9 | Very low | 123 Ų | 123 | 148.7 Ų | 148.7 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | 50.8 | 102.6 | 141.5 | 56.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 98 | V | 34.8 | Very low | 30.5 | Very low | 146 Ų | 146 | 146.8 Ų | 146.8 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | trans | -128 | 123.6 | 140.4 | -179.8 | 0 | 0 | 0 | 0 | 108.2 | D100 | V98-D100 PolarHBondContact O-N 3.13Š| ||
| 99 | H | 31.7 | Very low | 31.2 | Very low | 186 Ų | 186 | 145.2 Ų | 145.2 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | trans | -36.4 | 114.3 | -178.2 | -96.3 | -80.4 | 0 | 0 | 0 | 114.6 | Q101 | H99-Q101 PolarHBondContact O-N 3.04Š| ||
| 100 | D | 31.7 | Very low | 32.1 | Very low | 153 Ų | 153 | 145.9 Ų | 145.9 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -51.1 | 105.4 | 163.2 | -92.2 | -37.9 | 0 | 0 | 0 | 109.8 | V98 K102 | V98-D100 PolarHBondContact O-N 3.13Å; D100-K102 VanDerWaalsContact C-N 3.33Å; D100-K102 PolarHBondContact O-N 2.99Å | ||
| 101 | Q | 35.1 | Very low | 33.5 | Very low | 173 Ų | 173 | 141.3 Ų | 141.3 | 81% | 0.808 | 75% | 0.75 | S | S | * | * | trans | -58.2 | 106.6 | 152 | -73.3 | -179 | -4.8 | 0 | 0 | 105.7 | H99 T103 | H99-Q101 PolarHBondContact O-N 3.04Å; Q101-T103 PolarHBondContact O-N 3.4Å | ||
| 102 | K | 34.3 | Very low | 35.1 | Very low | 201 Ų | 201 | 143.1 Ų | 143.1 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | trans | -57.4 | 79.4 | 163.5 | -76.8 | 177.5 | 175.1 | 176.9 | 0 | 108.3 | D100 E104 | D100-K102 VanDerWaalsContact C-N 3.33Å; D100-K102 PolarHBondContact O-N 2.99Å; K102-E104 PolarHBondContact O-N 3.09Å | ||
| 103 | T | 37.2 | Very low | 36.9 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 68% | 0.681 | 73% | 0.733 | S | S | * | * | trans | -62.9 | 88.2 | 144.2 | 34.2 | 0 | 0 | 0 | 0 | 104.6 | Q101 N105 | Q101-T103 PolarHBondContact O-N 3.4Å; T103-N105 PolarHBondContact O-N 3.07Å | ||
| 104 | E | 38.2 | Very low | 39 | Very low | 186 Ų | 186 | 136.4 Ų | 136.4 | 87% | 0.869 | 72% | 0.717 | S | S | * | * | trans | -53.5 | 96.5 | 165.8 | -160.9 | 174.6 | -157.2 | 0 | 0 | 105.3 | K102 A106 | K102-E104 PolarHBondContact O-N 3.09Å; E104-A106 VanDerWaalsContact C-N 3.25Å; E104-A106 PolarHBondContact O-N 3.09Å | ||
| 105 | N | 39.3 | Very low | 41.2 | Very low | 141 Ų | 141 | 133.9 Ų | 133.9 | 75% | 0.754 | 70% | 0.698 | S | S | * | * | trans | -54.3 | 97.9 | 176.9 | -77.2 | -29.9 | 0 | 0 | 0 | 105.9 | T103 K107 | T103-N105 PolarHBondContact O-N 3.07Å; N105-K107 VanDerWaalsContact C-N 3.34Å; N105-K107 PolarHBondContact O-N 2.98Å | ||
| 106 | A | 42.8 | Very low | 43.6 | Very low | 91 Ų | 91 | 128.4 Ų | 128.4 | 75% | 0.752 | 67% | 0.669 | S | S | * | * | trans | -52.6 | 106 | 175.3 | 0 | 0 | 0 | 0 | 0 | 105.4 | E104 L108 | E104-A106 VanDerWaalsContact C-N 3.25Å; E104-A106 PolarHBondContact O-N 3.09Å; A106-L108 VanDerWaalsContact C-N 3.35Å; A106-L108 PolarHBondContact O-N 2.86Å | ||
| 107 | K | 39.3 | Very low | 46.1 | Very low | 196 Ų | 196 | 121 Ų | 121 | 85% | 0.852 | 64% | 0.635 | S | S | * | * | trans | -55 | 105.4 | -180 | -87.8 | -179.5 | 175.3 | 176.3 | 0 | 106.3 | N105 Q109 | N105-K107 VanDerWaalsContact C-N 3.34Å; N105-K107 PolarHBondContact O-N 2.98Å; K107-Q109 PolarHBondContact O-N 3.09Å | ||
| 108 | L | 35.3 | Very low | 48.7 | Very low | 151 Ų | 151 | 116.1 Ų | 116.1 | 79% | 0.791 | 60% | 0.604 | S | S | * | * | trans | -60.5 | 104.3 | 175.7 | -149 | 91.5 | 0 | 0 | 0 | 105.6 | A106 I110 | A106-L108 VanDerWaalsContact C-N 3.35Å; A106-L108 PolarHBondContact O-N 2.86Å; L108-I110 HydrophobicContact CD2-CG1 4.05Å; L108-I110 PolarHBondContact O-N 2.92Å | ||
| 109 | Q | 36.3 | Very low | 51.2 | Low | 141 Ų | 141 | 112 Ų | 112 | 66% | 0.659 | 58% | 0.58 | S | S | * | * | trans | -73.3 | 89.5 | 174.3 | -72.2 | -163.1 | 14.6 | 0 | 0 | 107.2 | K107 T111 | K107-Q109 PolarHBondContact O-N 3.09Å; Q109-T111 PolarHBondContact O-N 3.46Å; Q109-T111 VanDerWaalsContact O-N 3.07Å | ||
| 110 | I | 43.1 | Very low | 53.8 | Low | 129 Ų | 129 | 108.7 Ų | 108.7 | 66% | 0.662 | 57% | 0.569 | S | S | * | * | trans | -69.8 | 104.9 | 171.2 | -58.4 | 172.5 | 0 | 0 | 0 | 106.6 | L108 V112 | L108-I110 HydrophobicContact CD2-CG1 4.05Å; L108-I110 PolarHBondContact O-N 2.92Å; I110-V112 HydrophobicContact CG2-CG2 4.12Å; I110-V112 PolarHBondContact O-N 2.99Å | ||
| 111 | T | 52.9 | Low | 56.5 | Low | 60 Ų | 60 | 102.1 Ų | 102.1 | 37% | 0.368 | 53% | 0.533 | S | S | . | . | trans | -81.9 | 106.5 | 167 | -57.9 | 0 | 0 | 0 | 0 | 106.7 | Q109 V113 | Q109-T111 PolarHBondContact O-N 3.46Å; Q109-T111 VanDerWaalsContact O-N 3.07Å; T111-V113 PolarHBondContact O-N 3.5Å | ||
| 112 | V | 54.8 | Low | 59.1 | Low | 101 Ų | 101 | 93.9 Ų | 93.9 | 61% | 0.612 | 49% | 0.494 | S | S | * | . | trans | -77 | 104.1 | 171.3 | -178.1 | 0 | 0 | 0 | 0 | 107.1 | I110 K114 | I110-V112 HydrophobicContact CG2-CG2 4.12Å; I110-V112 PolarHBondContact O-N 2.99Å; V112-K114 HydrophobicContact CG1-CG 4.33Å; V112-K114 PolarHBondContact O-N 2.94Å | ||
| 113 | V | 60.8 | Low | 61.6 | Low | 73 Ų | 73 | 87.8 Ų | 87.8 | 44% | 0.442 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 119.4 | 169.2 | -177.7 | 0 | 0 | 0 | 0 | 106.7 | D16 T111 | D16-V113 HydrophobicContact CB-CG1 4.41Å; T111-V113 PolarHBondContact O-N 3.5Å |
| 114 | K | 65.3 | Low | 64 | Low | 113 Ų | 113 | 88.7 Ų | 88.7 | 49% | 0.491 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 126.2 | 172.8 | -67.5 | -175.7 | 179.9 | -176.9 | 0 | 108 | V112 V129 | V112-K114 HydrophobicContact CG1-CG 4.33Å; V112-K114 PolarHBondContact O-N 2.94Å; K114-V129 HydrophobicContact CD-CG2 4.27Å |
| 115 | T | 72.6 | Confident | 66.3 | Low | 35 Ų | 35 | 80.4 Ų | 80.4 | 22% | 0.215 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 120.8 | 171 | -46.3 | 0 | 0 | 0 | 0 | 108.4 | L14 F130 | L14-T115 HydrophobicContact CB-CG2 3.69Å; L14-T115 HydrophobicContact CD1-CG2 4.21Å; L14-T115 HydrophobicContact CD2-CG2 3.59Å; L14-T115 HydrophobicContact CG-CG2 4Å; T115-F130 HydrophobicContact CG2-CB 4.42Å; T115-F130 HydrophobicContact CG2-CD1 4.44Å; T115-F130 PolarHBondContact O-N 2.9Å |
| 116 | V | 76.4 | Confident | 68.2 | Low | 28 Ų | 28 | 76.9 Ų | 76.9 | 17% | 0.17 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 161.9 | -179.9 | -64.6 | 0 | 0 | 0 | 0 | 110.6 | V17 T126 | V17-V116 HydrophobicContact CG2-CG2 3.9Å; V116-T126 WeakPolarHBondContact CB-O 3.36Å |
| 117 | L | 79.6 | Confident | 70 | Confident | 2 Ų | 2 | 78.9 Ų | 78.9 | 1% | 0.01 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 141.1 | 178.7 | -59 | -175.3 | 0 | 0 | 0 | 112 | F122 A125 K128 F130 F293 | L117-F122 HydrophobicContact CB-CB 4.07Å; L117-F122 HydrophobicContact CB-CD2 3.87Å; L117-F122 HydrophobicContact CB-CG 4.19Å; L117-F122 HydrophobicContact CD1-CB 4.23Å; L117-F122 HydrophobicContact CD1-CD1 4.33Å; L117-F122 HydrophobicContact CD1-CD2 4.14Å; L117-F122 HydrophobicContact CD1-CG 3.98Å; L117-F122 HydrophobicContact CG-CD2 4.4Å; L117-A125 HydrophobicContact CD1-CB 4.25Å; L117-K128 HydrophobicContact CD1-CB 3.95Å; L117-K128 HydrophobicContact CD1-CD 4.1Å; L117-K128 HydrophobicContact CD1-CG 4.23Å; L117-K128 HydrophobicContact CG-CB 4.28Å; L117-F130 HydrophobicContact CD2-CB 4.37Å; L117-F130 HydrophobicContact CD2-CD2 4.31Å; L117-F293 HydrophobicContact CD1-CD1 4.02Å; L117-F293 HydrophobicContact CD2-CD1 3.5Å; L117-F293 HydrophobicContact CD2-CE1 3.59Å; L117-F293 HydrophobicContact CG-CD1 4.44Å |
| 118 | N | 81.8 | Confident | 71.9 | Confident | 22 Ų | 22 | 72.2 Ų | 72.2 | 12% | 0.118 | 39% | 0.392 | C | S | . | . | trans | -63 | 122.9 | 177.5 | -177.2 | -26.3 | 0 | 0 | 0 | 111.1 | Y12 M13 D120 W121 F122 | Y12-N118 PolarHBondContact O-ND2 2.85Å; M13-N118 PolarHBondContact O-N 3.3Å; N118-D120 VanDerWaalsContact C-N 3.27Å; N118-D120 PolarHBondContact O-N 3.25Å; N118-D120 WeakPolarHBondContact OD1-CB 3.31Å; N118-D120 PolarHBondContact OD1-N 3.45Å; N118-W121 HydrophobicContact CB-CB 4.44Å; N118-W121 PolarHBondContact O-N 3.14Å; N118-W121 VanDerWaalsContact O-N 3.12Å; N118-F122 PolarHBondContact O-N 3.48Å | ||
| 119 | P | 86.1 | Confident | 73.9 | Confident | 58 Ų | 58 | 68.1 Ų | 68.1 | 38% | 0.377 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -28.4 | -179 | 23.5 | -34.1 | 0 | 0 | 0 | 114.6 | W121 F122 P123 T126 | P119-W121 VanDerWaalsContact C-N 3.26Å; P119-W121 PolarHBondContact O-N 3.01Å; P119-F122 CarbonylContact O-C 3.59Å; P119-P123 WeakPolarHBondContact O-CA 3.34Å; P119-T126 HydrophobicContact CB-CG2 3.61Å |
| 120 | D | 87.3 | Confident | 75.8 | Confident | 118 Ų | 118 | 63.1 Ų | 63.1 | 63% | 0.631 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -30.1 | 178.7 | -68.3 | -23 | 0 | 0 | 0 | 111.6 | N118 S298 A301 | N118-D120 VanDerWaalsContact C-N 3.27Å; N118-D120 PolarHBondContact O-N 3.25Å; N118-D120 WeakPolarHBondContact OD1-CB 3.31Å; N118-D120 PolarHBondContact OD1-N 3.45Å; D120-S298 VanDerWaalsContact O-CB 3.26Å; D120-S298 WeakPolarHBondContact O-CB 3.36Å; D120-A301 WeakPolarHBondContact O-CB 3.14Å |
| 121 | W | 88.4 | Confident | 77.5 | Confident | 15 Ų | 15 | 61.2 Ų | 61.2 | 6% | 0.057 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -42.6 | 177.6 | -73.5 | 64.6 | 0 | 0 | 0 | 111.4 | M13 N118 P119 P123 Y289 V297 S298 A301 V302 A305 | M13-W121 HydrophobicContact CG-CE3 4.45Å; M13-W121 HydrophobicContact SD-CE3 4.26Å; M13-W121 HydrophobicContact SD-CZ3 4.44Å; N118-W121 HydrophobicContact CB-CB 4.44Å; N118-W121 PolarHBondContact O-N 3.14Å; N118-W121 VanDerWaalsContact O-N 3.12Å; P119-W121 VanDerWaalsContact C-N 3.26Å; P119-W121 PolarHBondContact O-N 3.01Å; W121-P123 WeakPolarHBondContact O-CD 3.46Å; W121-Y289 HydrophobicContact CH2-CE2 4.45Å; W121-Y289 HydrophobicContact CZ3-CD2 4.08Å; W121-Y289 AromaticContact CZ3-CE2 3.65Å; W121-Y289 HydrophobicContact CZ3-CE2 3.65Å; W121-V297 HydrophobicContact CB-CG2 4.41Å; W121-V297 HydrophobicContact CE3-CG2 4.03Å; W121-V297 CarbonylContact O-C 3.59Å; W121-V297 VanDerWaalsContact O-CA 3.27Å; W121-V297 WeakPolarHBondContact O-CA 3.38Å; W121-V297 WeakPolarHBondContact O-CG2 3.04Å; W121-S298 PolarHBondContact O-N 2.89Å; W121-A301 HydrophobicContact CD2-CB 4.33Å; W121-A301 HydrophobicContact CG-CB 4.16Å; W121-V302 HydrophobicContact CE3-CG2 3.91Å; W121-V302 HydrophobicContact CH2-CG2 4.47Å; W121-V302 HydrophobicContact CZ3-CB 4.35Å; W121-V302 HydrophobicContact CZ3-CG2 3.68Å; W121-A305 HydrophobicContact CH2-CB 3.77Å; W121-A305 HydrophobicContact CZ2-CB 3.34Å |
| 122 | F | 90 | Very high | 78.6 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 34% | 0.336 | C | S | . | . | trans | -125.5 | 70 | -174.1 | -59.1 | -82.4 | 0 | 0 | 0 | 110.7 | M13 L117 N118 P119 N124 A125 F293 A295 V297 | M13-F122 HydrophobicContact SD-CE2 3.98Å; M13-F122 HydrophobicContact SD-CZ 4.4Å; L117-F122 HydrophobicContact CB-CB 4.07Å; L117-F122 HydrophobicContact CB-CD2 3.87Å; L117-F122 HydrophobicContact CB-CG 4.19Å; L117-F122 HydrophobicContact CD1-CB 4.23Å; L117-F122 HydrophobicContact CD1-CD1 4.33Å; L117-F122 HydrophobicContact CD1-CD2 4.14Å; L117-F122 HydrophobicContact CD1-CG 3.98Å; L117-F122 HydrophobicContact CG-CD2 4.4Å; N118-F122 PolarHBondContact O-N 3.48Å; P119-F122 CarbonylContact O-C 3.59Å; F122-N124 PolarHBondContact O-N 3.43Å; F122-A125 HydrophobicContact CB-CB 4.3Å; F122-A125 PolarHBondContact O-N 3.12Å; F122-A125 VanDerWaalsContact O-N 3.11Å; F122-F293 HydrophobicContact CE1-CB 3.68Å; F122-F293 HydrophobicContact CE1-CD1 4.38Å; F122-F293 AromaticContact CE1-CG 3.95Å; F122-F293 HydrophobicContact CE1-CG 3.95Å; F122-F293 HydrophobicContact CE2-CD1 4.2Å; F122-F293 HydrophobicContact CE2-CE1 4.48Å; F122-F293 HydrophobicContact CE2-CG 4.44Å; F122-F293 HydrophobicContact CZ-CB 3.92Å; F122-F293 AromaticContact CZ-CD1 3.84Å; F122-F293 HydrophobicContact CZ-CD1 3.84Å; F122-F293 AromaticContact CZ-CD2 4Å; F122-F293 HydrophobicContact CZ-CD2 4Å; F122-F293 HydrophobicContact CZ-CE1 4.37Å; F122-F293 AromaticContact CZ-CG 3.63Å; F122-F293 HydrophobicContact CZ-CG 3.63Å; F122-A295 HydrophobicContact CD1-CB 3.85Å; F122-A295 HydrophobicContact CE1-CB 4.39Å; F122-V297 HydrophobicContact CD1-CB 4.19Å; F122-V297 HydrophobicContact CD1-CG2 4.27Å; F122-V297 HydrophobicContact CE1-CB 3.79Å; F122-V297 HydrophobicContact CE1-CG2 3.8Å; F122-V297 HydrophobicContact CE2-CG2 4.49Å; F122-V297 HydrophobicContact CZ-CB 4.39Å; F122-V297 HydrophobicContact CZ-CG2 3.93Å | ||
| 123 | P | 86.7 | Confident | 80 | Confident | 72 Ų | 72 | 60.1 Ų | 60.1 | 47% | 0.468 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -23.4 | -171.2 | 22.7 | -34.1 | 0 | 0 | 0 | 114 | P119 W121 | P119-P123 WeakPolarHBondContact O-CA 3.34Å; W121-P123 WeakPolarHBondContact O-CD 3.46Å |
| 124 | N | 87.6 | Confident | 81.1 | Confident | 131 Ų | 131 | 57.3 Ų | 57.3 | 70% | 0.701 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107 | 11.3 | -176.7 | -58.7 | -20.1 | 0 | 0 | 0 | 113.7 | F122 | F122-N124 PolarHBondContact O-N 3.43Š|
| 125 | A | 86.3 | Confident | 81.8 | Confident | 12 Ų | 12 | 56.2 Ų | 56.2 | 10% | 0.099 | 32% | 0.315 | C | S | . | . | trans | -141.8 | 34 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L117 F122 D127 K128 A295 | L117-A125 HydrophobicContact CD1-CB 4.25Å; F122-A125 HydrophobicContact CB-CB 4.3Å; F122-A125 PolarHBondContact O-N 3.12Å; F122-A125 VanDerWaalsContact O-N 3.11Å; A125-D127 PolarHBondContact O-N 3.44Å; A125-K128 HydrophobicContact CB-CB 4.38Å; A125-K128 WeakPolarHBondContact O-CB 3.34Å; A125-K128 PolarHBondContact O-N 3.18Å; A125-K128 VanDerWaalsContact O-N 3.16Å; A125-A295 HydrophobicContact CB-CB 3.65Å | ||
| 126 | T | 78.7 | Confident | 82.4 | Confident | 67 Ų | 67 | 61.6 Ų | 61.6 | 41% | 0.411 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -15.8 | -176.8 | 55.3 | 0 | 0 | 0 | 0 | 114 | V116 P119 | V116-T126 WeakPolarHBondContact CB-O 3.36Å; P119-T126 HydrophobicContact CB-CG2 3.61Å |
| 127 | D | 81.3 | Confident | 83 | Confident | 133 Ų | 133 | 63.2 Ų | 63.2 | 71% | 0.711 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -10.6 | 174.8 | 64.1 | -42.1 | 0 | 0 | 0 | 113 | A125 V129 | A125-D127 PolarHBondContact O-N 3.44Å; D127-V129 PolarHBondContact O-N 2.79Å |
| 128 | K | 79.2 | Confident | 83.4 | Confident | 55 Ų | 55 | 63.1 Ų | 63.1 | 24% | 0.239 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 125.5 | 179.4 | -172.2 | 165.5 | -180 | 169.1 | 0 | 110.6 | L117 A125 F293 | L117-K128 HydrophobicContact CD1-CB 3.95Å; L117-K128 HydrophobicContact CD1-CD 4.1Å; L117-K128 HydrophobicContact CD1-CG 4.23Å; L117-K128 HydrophobicContact CG-CB 4.28Å; A125-K128 HydrophobicContact CB-CB 4.38Å; A125-K128 WeakPolarHBondContact O-CB 3.34Å; A125-K128 PolarHBondContact O-N 3.18Å; A125-K128 VanDerWaalsContact O-N 3.16Å; K128-F293 PolarHBondContact NZ-O 2.58Å |
| 129 | V | 77.7 | Confident | 83.5 | Confident | 65 Ų | 65 | 63.9 Ų | 63.9 | 39% | 0.394 | 35% | 0.351 | S | S | . | . | B | Isolated β-bridge | trans | -78.4 | 124.4 | 175.7 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | K114 D127 | K114-V129 HydrophobicContact CD-CG2 4.27Å; D127-V129 PolarHBondContact O-N 2.79Å |
| 130 | F | 75.1 | Confident | 83.5 | Confident | 36 Ų | 36 | 66.8 Ų | 66.8 | 16% | 0.158 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -72 | 125.7 | 173.5 | 177.8 | -106.2 | 0 | 0 | 0 | 110 | L14 T115 L117 E134 E135 F293 | L14-F130 HydrophobicContact CD1-CD1 4.36Å; L14-F130 HydrophobicContact CD1-CE1 4.05Å; L14-F130 HydrophobicContact CD2-CB 4.22Å; L14-F130 HydrophobicContact CD2-CD1 3.54Å; L14-F130 HydrophobicContact CD2-CD2 4.04Å; L14-F130 HydrophobicContact CD2-CE1 3.78Å; L14-F130 HydrophobicContact CD2-CE2 4.24Å; L14-F130 HydrophobicContact CD2-CG 3.66Å; L14-F130 HydrophobicContact CD2-CZ 4.11Å; T115-F130 HydrophobicContact CG2-CB 4.42Å; T115-F130 HydrophobicContact CG2-CD1 4.44Å; T115-F130 PolarHBondContact O-N 2.9Å; L117-F130 HydrophobicContact CD2-CB 4.37Å; L117-F130 HydrophobicContact CD2-CD2 4.31Å; F130-E134 HydrophobicContact CD2-CB 4.49Å; F130-E134 HydrophobicContact CE2-CB 4.13Å; F130-E135 HydrophobicContact CZ-CB 4.09Å; F130-F293 AromaticContact CD2-CE1 3.87Å; F130-F293 HydrophobicContact CD2-CE1 3.87Å; F130-F293 HydrophobicContact CD2-CZ 4.49Å; F130-F293 AromaticContact CE2-CE1 3.91Å; F130-F293 HydrophobicContact CE2-CE1 3.91Å; F130-F293 HydrophobicContact CE2-CZ 4.07Å |
| 131 | T | 78.3 | Confident | 83.4 | Confident | 89 Ų | 89 | 61.7 Ų | 61.7 | 55% | 0.546 | 34% | 0.337 | S | S | . | . | trans | -104.1 | -14.2 | -175.3 | 66.6 | 0 | 0 | 0 | 0 | 113.3 | L133 E134 | T131-L133 PolarHBondContact O-N 3.21Å; T131-L133 PolarHBondContact OG1-N 3.46Å; T131-E134 PolarHBondContact N-OE2 2.87Å; T131-E134 VanDerWaalsContact N-OE2 3.08Å; T131-E134 PolarHBondContact OG1-OE1 3.5Å; T131-E134 PolarHBondContact OG1-OE2 2.71Å | ||
| 132 | G | 77.4 | Confident | 83.1 | Confident | 20 Ų | 20 | 61.6 Ų | 61.6 | 21% | 0.206 | 34% | 0.337 | C | S | . | . | S | Bend | trans | 83.5 | -9.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | E134 K136 | G132-E134 PolarHBondContact N-OE2 3.43Å; G132-K136 PolarHBondContact O-N 2.86Å |
| 133 | L | 84.1 | Confident | 82.6 | Confident | 118 Ų | 118 | 64.4 Ų | 64.4 | 62% | 0.618 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -67.8 | -31.3 | 169.4 | -68 | 175 | 0 | 0 | 0 | 111.1 | T131 E135 K136 C137 | T131-L133 PolarHBondContact O-N 3.21Å; T131-L133 PolarHBondContact OG1-N 3.46Å; L133-E135 VanDerWaalsContact C-N 3.35Å; L133-K136 PolarHBondContact O-N 3.07Å; L133-C137 PolarHBondContact O-N 3.46Å |
| 134 | E | 84 | Confident | 82.6 | Confident | 14 Ų | 14 | 64 Ų | 64 | 7% | 0.065 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 179 | -54.8 | 82.1 | 179.4 | 0 | 0 | 111.1 | F130 T131 G132 C137 M138 F293 | F130-E134 HydrophobicContact CD2-CB 4.49Å; F130-E134 HydrophobicContact CE2-CB 4.13Å; T131-E134 PolarHBondContact N-OE2 2.87Å; T131-E134 VanDerWaalsContact N-OE2 3.08Å; T131-E134 PolarHBondContact OG1-OE1 3.5Å; T131-E134 PolarHBondContact OG1-OE2 2.71Å; G132-E134 PolarHBondContact N-OE2 3.43Å; E134-C137 WeakPolarHBondContact O-CB 3.37Å; E134-C137 PolarHBondContact O-N 2.84Å; E134-M138 WeakPolarHBondContact O-CG 3.33Å; E134-M138 PolarHBondContact O-N 3.3Å; E134-M138 VanDerWaalsContact O-N 3.11Å; E134-F293 HydrophobicContact CB-CD1 3.9Å; E134-F293 HydrophobicContact CB-CD2 4.01Å; E134-F293 HydrophobicContact CB-CE1 3.64Å; E134-F293 HydrophobicContact CB-CE2 3.72Å; E134-F293 HydrophobicContact CB-CG 4.09Å; E134-F293 HydrophobicContact CB-CZ 3.53Å; E134-F293 HydrophobicContact CG-CD1 3.93Å; E134-F293 HydrophobicContact CG-CE1 4.08Å; E134-F293 HydrophobicContact CG-CG 4.19Å; E134-F293 HydrophobicContact CG-CZ 4.44Å |
| 135 | E | 79.4 | Confident | 82.5 | Confident | 90 Ų | 90 | 57.8 Ų | 57.8 | 42% | 0.421 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 174.3 | -177.9 | 178.1 | -172 | 0 | 0 | 111.6 | F130 L133 C137 M138 N139 | F130-E135 HydrophobicContact CZ-CB 4.09Å; L133-E135 VanDerWaalsContact C-N 3.35Å; E135-C137 VanDerWaalsContact C-N 3.27Å; E135-C137 PolarHBondContact O-N 2.64Å; E135-M138 PolarHBondContact O-N 3.33Å; E135-M138 VanDerWaalsContact O-N 3.16Å; E135-N139 PolarHBondContact O-N 3.47Å |
| 136 | K | 85.1 | Confident | 82.2 | Confident | 148 Ų | 148 | 58.6 Ų | 58.6 | 64% | 0.643 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61.7 | -37.2 | 175.3 | -69.5 | -179.7 | -178.4 | 178 | 0 | 112.2 | G132 L133 M138 N139 | G132-K136 PolarHBondContact O-N 2.86Å; L133-K136 PolarHBondContact O-N 3.07Å; K136-M138 VanDerWaalsContact C-N 3.34Å; K136-N139 WeakPolarHBondContact O-CB 3.26Å; K136-N139 PolarHBondContact O-N 3.24Å; K136-N139 PolarHBondContact O-ND2 3.31Å |
| 137 | C | 87.9 | Confident | 82.5 | Confident | 62 Ų | 62 | 60.4 Ų | 60.4 | 42% | 0.419 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.3 | -38 | 175.6 | 178.1 | 0 | 0 | 0 | 0 | 112.1 | L133 E134 E135 N139 C292 | L133-C137 PolarHBondContact O-N 3.46Å; E134-C137 WeakPolarHBondContact O-CB 3.37Å; E134-C137 PolarHBondContact O-N 2.84Å; E135-C137 VanDerWaalsContact C-N 3.27Å; E135-C137 PolarHBondContact O-N 2.64Å; C137-N139 VanDerWaalsContact C-N 3.28Å; C137-N139 PolarHBondContact O-N 3.41Å; C137-C292 HydrophobicContact CB-CB 3.62Å; C137-C292 WeakPolarHBondContact CB-SG 3.48Å; C137-C292 WeakPolarHBondContact SG-CA 3.27Å; C137-C292 WeakPolarHBondContact SG-CB 3.33Å; C137-C292 CovalentContact SG-SG 2.04Å; C137-C292 PolarHBondContact SG-SG 3.49Å |
| 138 | M | 88.5 | Confident | 82.8 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -75.7 | -9.2 | -179.4 | -68.6 | -61.9 | -54.2 | 0 | 0 | 114.9 | E134 E135 K136 D140 S141 Y142 L285 D288 Y289 C292 F293 | E134-M138 WeakPolarHBondContact O-CG 3.33Å; E134-M138 PolarHBondContact O-N 3.3Å; E134-M138 VanDerWaalsContact O-N 3.11Å; E135-M138 PolarHBondContact O-N 3.33Å; E135-M138 VanDerWaalsContact O-N 3.16Å; K136-M138 VanDerWaalsContact C-N 3.34Å; M138-D140 VanDerWaalsContact C-N 3.33Å; M138-D140 PolarHBondContact O-N 3.41Å; M138-S141 WeakPolarHBondContact O-CB 3.46Å; M138-S141 PolarHBondContact O-N 3.35Å; M138-S141 VanDerWaalsContact O-N 3.15Å; M138-Y142 HydrophobicContact CB-CD2 4.18Å; M138-Y142 HydrophobicContact CB-CE2 3.41Å; M138-Y142 VanDerWaalsContact CB-CE2 3.41Å; M138-Y142 WeakPolarHBondContact CB-OH 3.44Å; M138-Y142 HydrophobicContact CE-CE1 4.25Å; M138-Y142 WeakPolarHBondContact O-CD2 3.02Å; M138-Y142 PolarHBondContact O-N 2.9Å; M138-L285 HydrophobicContact CE-CD2 3.79Å; M138-D288 HydrophobicContact CE-CB 3.87Å; M138-D288 VanDerWaalsContact SD-C 3.59Å; M138-D288 HydrophobicContact SD-CB 3.93Å; M138-Y289 HydrophobicContact CE-CD1 3.61Å; M138-Y289 HydrophobicContact CE-CD2 4.16Å; M138-Y289 HydrophobicContact CE-CE1 3.49Å; M138-Y289 VanDerWaalsContact CE-CE1 3.49Å; M138-Y289 HydrophobicContact CE-CE2 4.06Å; M138-Y289 HydrophobicContact CE-CG 3.93Å; M138-Y289 HydrophobicContact CG-CD1 3.99Å; M138-Y289 HydrophobicContact CG-CE1 3.86Å; M138-Y289 HydrophobicContact SD-CD1 3.55Å; M138-Y289 VanDerWaalsContact SD-CD1 3.55Å; M138-Y289 HydrophobicContact SD-CE1 3.84Å; M138-Y289 HydrophobicContact SD-CG 4.11Å; M138-C292 HydrophobicContact CG-CB 4.11Å; M138-C292 HydrophobicContact SD-CB 3.86Å; M138-C292 VanDerWaalsContact SD-SG 3.61Å; M138-F293 HydrophobicContact CG-CE2 4.02Å |
| 139 | N | 84.3 | Confident | 83.1 | Confident | 38 Ų | 38 | 54.5 Ų | 54.5 | 20% | 0.203 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.1 | -44.6 | -175.7 | -80.1 | -30.6 | 0 | 0 | 0 | 113 | R6 E135 K136 C137 S141 Y142 H143 | R6-N139 PolarHBondContact NH1-OD1 3.33Å; E135-N139 PolarHBondContact O-N 3.47Å; K136-N139 WeakPolarHBondContact O-CB 3.26Å; K136-N139 PolarHBondContact O-N 3.24Å; K136-N139 PolarHBondContact O-ND2 3.31Å; C137-N139 VanDerWaalsContact C-N 3.28Å; C137-N139 PolarHBondContact O-N 3.41Å; N139-S141 VanDerWaalsContact C-N 3.31Å; N139-S141 PolarHBondContact O-N 3.4Å; N139-Y142 PolarHBondContact O-N 2.91Å; N139-H143 PolarHBondContact O-CD2 3.43Å; N139-H143 PolarHBondContact O-N 3.49Å |
| 140 | D | 85.2 | Confident | 83.4 | Confident | 120 Ų | 120 | 53.1 Ų | 53.1 | 64% | 0.642 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -67.5 | -34.9 | -178.8 | -68.2 | -13.9 | 0 | 0 | 0 | 111.5 | M138 H143 T144 | M138-D140 VanDerWaalsContact C-N 3.33Å; M138-D140 PolarHBondContact O-N 3.41Å; D140-H143 PolarHBondContact O-N 3.38Å; D140-T144 WeakPolarHBondContact O-CB 3.38Å; D140-T144 PolarHBondContact O-N 2.94Å; D140-T144 PolarHBondContact O-OG1 2.93Å |
| 141 | S | 86.2 | Confident | 84 | Confident | 11 Ų | 11 | 55.3 Ų | 55.3 | 8% | 0.077 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 173.8 | -53.3 | 0 | 0 | 0 | 0 | 111.5 | M138 N139 H143 T144 V145 D288 | M138-S141 WeakPolarHBondContact O-CB 3.46Å; M138-S141 PolarHBondContact O-N 3.35Å; M138-S141 VanDerWaalsContact O-N 3.15Å; N139-S141 VanDerWaalsContact C-N 3.31Å; N139-S141 PolarHBondContact O-N 3.4Å; S141-H143 PolarHBondContact O-N 3.49Å; S141-T144 WeakPolarHBondContact O-CB 3.27Å; S141-T144 PolarHBondContact O-N 2.92Å; S141-V145 WeakPolarHBondContact O-CG2 3.41Å; S141-V145 PolarHBondContact O-N 3.26Å; S141-D288 WeakPolarHBondContact CB-OD2 3.37Å; S141-D288 WeakPolarHBondContact OG-CB 3.41Å; S141-D288 PolarHBondContact OG-OD2 2.92Å |
| 142 | Y | 82.2 | Confident | 84.6 | Confident | 12 Ų | 12 | 52.1 Ų | 52.1 | 5% | 0.047 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.4 | -41.3 | 176.2 | -60.5 | -44.7 | 0 | 0 | 0 | 112.1 | I9 C10 M138 N139 T144 V145 N146 L285 Y289 | I9-Y142 HydrophobicContact CB-CE1 4.16Å; I9-Y142 HydrophobicContact CD1-CD1 4.15Å; I9-Y142 HydrophobicContact CD1-CE1 4.32Å; C10-Y142 PolarHBondContact SG-OH 2.94Å; M138-Y142 HydrophobicContact CB-CD2 4.18Å; M138-Y142 HydrophobicContact CB-CE2 3.41Å; M138-Y142 VanDerWaalsContact CB-CE2 3.41Å; M138-Y142 WeakPolarHBondContact CB-OH 3.44Å; M138-Y142 HydrophobicContact CE-CE1 4.25Å; M138-Y142 WeakPolarHBondContact O-CD2 3.02Å; M138-Y142 PolarHBondContact O-N 2.9Å; N139-Y142 PolarHBondContact O-N 2.91Å; Y142-T144 VanDerWaalsContact C-N 3.31Å; Y142-T144 PolarHBondContact O-N 3.08Å; Y142-V145 PolarHBondContact O-N 3.44Å; Y142-N146 PolarHBondContact O-N 2.88Å; Y142-N146 VanDerWaalsContact O-N 3.12Å; Y142-N146 PolarHBondContact O-ND2 3.46Å; Y142-L285 HydrophobicContact CD1-CD2 4.43Å; Y142-L285 HydrophobicContact CE1-CD2 4.31Å; Y142-Y289 WeakPolarHBondContact CE1-OH 3.42Å; Y142-Y289 WeakPolarHBondContact OH-CE1 3.34Å; Y142-Y289 PolarHBondContact OH-OH 2.89Å |
| 143 | H | 80.5 | Confident | 85 | Confident | 59 Ų | 59 | 51.2 Ų | 51.2 | 27% | 0.273 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.8 | -42.3 | 173.3 | -74.2 | -49 | 0 | 0 | 0 | 111.8 | E4 R6 N139 D140 S141 N146 M147 | E4-H143 IonicContact OE1-CE1 3.72Å; E4-H143 PolarHBondContact OE1-CE1 2.81Å; E4-H143 VanDerWaalsContact OE1-CE1 3.29Å; E4-H143 IonicContact OE2-CE1 3.29Å; R6-H143 PolarHBondContact NH2-NE2 3.39Å; N139-H143 PolarHBondContact O-CD2 3.43Å; N139-H143 PolarHBondContact O-N 3.49Å; D140-H143 PolarHBondContact O-N 3.38Å; S141-H143 PolarHBondContact O-N 3.49Å; H143-N146 PolarHBondContact O-N 2.86Å; H143-M147 WeakPolarHBondContact O-CG 3.37Å; H143-M147 PolarHBondContact O-N 3.46Å |
| 144 | T | 86.1 | Confident | 85.2 | Confident | 63 Ų | 63 | 49.7 Ų | 49.7 | 39% | 0.387 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 177.8 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | D140 S141 Y142 N146 M147 M148 M284 | D140-T144 WeakPolarHBondContact O-CB 3.38Å; D140-T144 PolarHBondContact O-N 2.94Å; D140-T144 PolarHBondContact O-OG1 2.93Å; S141-T144 WeakPolarHBondContact O-CB 3.27Å; S141-T144 PolarHBondContact O-N 2.92Å; Y142-T144 VanDerWaalsContact C-N 3.31Å; Y142-T144 PolarHBondContact O-N 3.08Å; T144-N146 VanDerWaalsContact C-N 3.33Å; T144-N146 PolarHBondContact O-N 2.92Å; T144-M147 PolarHBondContact O-N 2.89Å; T144-M148 HydrophobicContact CG2-CE 4.05Å; T144-M148 WeakPolarHBondContact O-CG 3.38Å; T144-M148 PolarHBondContact O-N 3.25Å; T144-M284 HydrophobicContact CG2-CE 4.24Å; T144-M284 HydrophobicContact CG2-SD 3.68Å |
| 145 | V | 84.5 | Confident | 85.5 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.6 | -47.3 | 173.6 | 171.4 | 0 | 0 | 0 | 0 | 111 | S141 Y142 M147 M148 V149 M281 M284 L285 | S141-V145 WeakPolarHBondContact O-CG2 3.41Å; S141-V145 PolarHBondContact O-N 3.26Å; Y142-V145 PolarHBondContact O-N 3.44Å; V145-M147 VanDerWaalsContact C-N 3.34Å; V145-M147 PolarHBondContact O-N 3.45Å; V145-M148 WeakPolarHBondContact O-CB 3.44Å; V145-M148 PolarHBondContact O-N 3.41Å; V145-V149 PolarHBondContact O-N 2.91Å; V145-M281 HydrophobicContact CG1-CE 3.81Å; V145-M281 HydrophobicContact CG1-CG 4.15Å; V145-M281 HydrophobicContact CG1-SD 3.84Å; V145-M281 HydrophobicContact CG2-CG 4.39Å; V145-M284 HydrophobicContact CB-CE 4.39Å; V145-M284 HydrophobicContact CG2-CE 3.26Å; V145-L285 HydrophobicContact CG2-CD1 4.03Å; V145-L285 HydrophobicContact CG2-CD2 4.09Å; V145-L285 HydrophobicContact CG2-CG 4.1Å |
| 146 | N | 81 | Confident | 86 | Confident | 29 Ų | 29 | 56.3 Ų | 56.3 | 16% | 0.155 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 178.9 | -64.9 | -23.8 | 0 | 0 | 0 | 110.7 | L7 Y142 H143 T144 M148 V149 E150 | L7-N146 WeakPolarHBondContact CD1-OD1 3.34Å; Y142-N146 PolarHBondContact O-N 2.88Å; Y142-N146 VanDerWaalsContact O-N 3.12Å; Y142-N146 PolarHBondContact O-ND2 3.46Å; H143-N146 PolarHBondContact O-N 2.86Å; T144-N146 VanDerWaalsContact C-N 3.33Å; T144-N146 PolarHBondContact O-N 2.92Å; N146-M148 VanDerWaalsContact C-N 3.28Å; N146-M148 PolarHBondContact O-N 2.92Å; N146-V149 PolarHBondContact O-N 3.22Å; N146-V149 VanDerWaalsContact O-N 3.12Å; N146-E150 WeakPolarHBondContact O-CG 3.5Å; N146-E150 PolarHBondContact O-N 3.04Å |
| 147 | M | 84.3 | Confident | 85.9 | Confident | 105 Ų | 105 | 50.1 Ų | 50.1 | 52% | 0.517 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.8 | -33.8 | 177.4 | -70.2 | -58.9 | -54.5 | 0 | 0 | 113.1 | H143 T144 V145 T151 | H143-M147 WeakPolarHBondContact O-CG 3.37Å; H143-M147 PolarHBondContact O-N 3.46Å; T144-M147 PolarHBondContact O-N 2.89Å; V145-M147 VanDerWaalsContact C-N 3.34Å; V145-M147 PolarHBondContact O-N 3.45Å; M147-T151 VanDerWaalsContact O-CB 3.32Å; M147-T151 WeakPolarHBondContact O-CB 2.96Å; M147-T151 PolarHBondContact O-N 3.37Å; M147-T151 PolarHBondContact O-OG1 3.41Å |
| 148 | M | 87.1 | Confident | 85.7 | Confident | 51 Ų | 51 | 52 Ų | 52 | 25% | 0.251 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 174.4 | -70.2 | 178.9 | 174.7 | 0 | 0 | 111.5 | T144 V145 N146 T151 C152 L277 T280 M281 M284 | T144-M148 HydrophobicContact CG2-CE 4.05Å; T144-M148 WeakPolarHBondContact O-CG 3.38Å; T144-M148 PolarHBondContact O-N 3.25Å; V145-M148 WeakPolarHBondContact O-CB 3.44Å; V145-M148 PolarHBondContact O-N 3.41Å; N146-M148 VanDerWaalsContact C-N 3.28Å; N146-M148 PolarHBondContact O-N 2.92Å; M148-T151 PolarHBondContact O-N 3.07Å; M148-C152 PolarHBondContact O-N 2.78Å; M148-L277 HydrophobicContact CB-CD1 4.07Å; M148-L277 WeakPolarHBondContact O-CD1 3.46Å; M148-T280 HydrophobicContact CE-CG2 4.26Å; M148-T280 HydrophobicContact SD-CG2 4.25Å; M148-M281 HydrophobicContact CB-CE 4.35Å; M148-M281 HydrophobicContact SD-CG 4.37Å; M148-M284 HydrophobicContact CE-CE 4.36Å; M148-M284 HydrophobicContact CE-SD 3.55Å; M148-M284 VanDerWaalsContact CE-SD 3.55Å; M148-M284 HydrophobicContact SD-SD 4.44Å |
| 149 | V | 86 | Confident | 85.3 | Confident | 13 Ų | 13 | 55.7 Ų | 55.7 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.7 | -47.2 | 176.9 | -179.2 | 0 | 0 | 0 | 0 | 110.5 | V145 N146 T151 C152 I153 L277 M281 | V145-V149 PolarHBondContact O-N 2.91Å; N146-V149 PolarHBondContact O-N 3.22Å; N146-V149 VanDerWaalsContact O-N 3.12Å; V149-T151 VanDerWaalsContact C-N 3.3Å; V149-T151 PolarHBondContact O-N 3.36Å; V149-C152 WeakPolarHBondContact O-CB 3.42Å; V149-C152 PolarHBondContact O-N 2.84Å; V149-C152 VanDerWaalsContact O-N 3.15Å; V149-I153 HydrophobicContact CG1-CD1 3.8Å; V149-I153 HydrophobicContact CG1-CG1 4.46Å; V149-I153 WeakPolarHBondContact O-CG1 3.34Å; V149-I153 PolarHBondContact O-N 2.85Å; V149-L277 HydrophobicContact CG2-CD1 4.22Å; V149-M281 HydrophobicContact CG2-CE 3.3Å |
| 150 | E | 83.6 | Confident | 85 | Confident | 36 Ų | 36 | 56.3 Ų | 56.3 | 17% | 0.168 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.5 | -43 | 178.4 | -67.2 | -168.1 | 177.3 | 0 | 0 | 111.9 | N146 C152 I153 Q154 F162 | N146-E150 WeakPolarHBondContact O-CG 3.5Å; N146-E150 PolarHBondContact O-N 3.04Å; E150-C152 VanDerWaalsContact C-N 3.34Å; E150-C152 PolarHBondContact O-N 3.46Å; E150-I153 PolarHBondContact O-N 2.9Å; E150-Q154 WeakPolarHBondContact O-CG 3.34Å; E150-Q154 PolarHBondContact O-N 3.17Å; E150-F162 HydrophobicContact CB-CD2 4.46Å; E150-F162 HydrophobicContact CB-CE2 3.84Å; E150-F162 HydrophobicContact CG-CD2 4.03Å; E150-F162 HydrophobicContact CG-CE2 3.53Å; E150-F162 HydrophobicContact CG-CZ 4.21Å |
| 151 | T | 88.1 | Confident | 84.3 | Confident | 82 Ų | 82 | 60.9 Ų | 60.9 | 50% | 0.503 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 177.9 | -59 | 0 | 0 | 0 | 0 | 111.5 | M147 M148 V149 Q154 K155 | M147-T151 VanDerWaalsContact O-CB 3.32Å; M147-T151 WeakPolarHBondContact O-CB 2.96Å; M147-T151 PolarHBondContact O-N 3.37Å; M147-T151 PolarHBondContact O-OG1 3.41Å; M148-T151 PolarHBondContact O-N 3.07Å; V149-T151 VanDerWaalsContact C-N 3.3Å; V149-T151 PolarHBondContact O-N 3.36Å; T151-Q154 PolarHBondContact O-N 3.25Å; T151-K155 PolarHBondContact O-N 3.11Å |
| 152 | C | 90.4 | Very high | 83.4 | Confident | 22 Ų | 22 | 62.5 Ų | 62.5 | 15% | 0.149 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 175.1 | 177.9 | 0 | 0 | 0 | 0 | 111.7 | M148 V149 E150 Q154 K155 S156 C273 L277 | M148-C152 PolarHBondContact O-N 2.78Å; V149-C152 WeakPolarHBondContact O-CB 3.42Å; V149-C152 PolarHBondContact O-N 2.84Å; V149-C152 VanDerWaalsContact O-N 3.15Å; E150-C152 VanDerWaalsContact C-N 3.34Å; E150-C152 PolarHBondContact O-N 3.46Å; C152-Q154 VanDerWaalsContact C-N 3.35Å; C152-Q154 PolarHBondContact O-N 3.33Å; C152-K155 WeakPolarHBondContact O-CB 3.41Å; C152-K155 PolarHBondContact O-N 3.5Å; C152-S156 PolarHBondContact O-N 3.24Å; C152-S156 PolarHBondContact O-OG 3.29Å; C152-C273 HydrophobicContact CB-CB 3.62Å; C152-C273 WeakPolarHBondContact CB-SG 3.5Å; C152-C273 WeakPolarHBondContact SG-CA 3.48Å; C152-C273 WeakPolarHBondContact SG-CB 3.37Å; C152-C273 CovalentContact SG-SG 2.04Å; C152-C273 PolarHBondContact SG-SG 3.32Å; C152-L277 HydrophobicContact CB-CD1 3.99Å |
| 153 | I | 86.3 | Confident | 82.2 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 179.1 | -66.7 | 165 | 0 | 0 | 0 | 110.7 | V149 E150 K155 S156 L157 F160 F162 L266 I269 E270 C273 | V149-I153 HydrophobicContact CG1-CD1 3.8Å; V149-I153 HydrophobicContact CG1-CG1 4.46Å; V149-I153 WeakPolarHBondContact O-CG1 3.34Å; V149-I153 PolarHBondContact O-N 2.85Å; E150-I153 PolarHBondContact O-N 2.9Å; I153-K155 VanDerWaalsContact C-N 3.28Å; I153-K155 PolarHBondContact O-N 3.14Å; I153-S156 CarbonylContact O-C 3.46Å; I153-S156 PolarHBondContact O-N 3Å; I153-L157 HydrophobicContact CG2-CD1 4.49Å; I153-L157 PolarHBondContact O-N 3.24Å; I153-F160 HydrophobicContact CG2-CD1 3.79Å; I153-F160 HydrophobicContact CG2-CE1 3.9Å; I153-F162 HydrophobicContact CD1-CZ 3.75Å; I153-F162 HydrophobicContact CG2-CZ 4.4Å; I153-L266 HydrophobicContact CG2-CD1 3.94Å; I153-I269 HydrophobicContact CG1-CG2 4.45Å; I153-E270 HydrophobicContact CD1-CB 3.92Å; I153-E270 HydrophobicContact CD1-CG 3.97Å; I153-E270 HydrophobicContact CG1-CB 4.48Å; I153-C273 HydrophobicContact CG1-CB 4.25Å; I153-C273 PolarHBondContact N-SG 3.33Å |
| 154 | Q | 88.2 | Confident | 81.3 | Confident | 86 Ų | 86 | 69.1 Ų | 69.1 | 40% | 0.402 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.9 | -32.9 | 177.3 | -71.9 | 175.6 | 6.6 | 0 | 0 | 112.8 | E150 T151 C152 L157 | E150-Q154 WeakPolarHBondContact O-CG 3.34Å; E150-Q154 PolarHBondContact O-N 3.17Å; T151-Q154 PolarHBondContact O-N 3.25Å; C152-Q154 VanDerWaalsContact C-N 3.35Å; C152-Q154 PolarHBondContact O-N 3.33Å; Q154-L157 CarbonylContact O-C 3.6Å; Q154-L157 VanDerWaalsContact O-C 3.25Å |
| 155 | K | 91.8 | Very high | 79.9 | Confident | 180 Ų | 180 | 76.4 Ų | 76.4 | 78% | 0.783 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -69 | -40.2 | 173.8 | -173.6 | -179.5 | 177.1 | -174.8 | 0 | 111.7 | T151 C152 I153 | T151-K155 PolarHBondContact O-N 3.11Å; C152-K155 WeakPolarHBondContact O-CB 3.41Å; C152-K155 PolarHBondContact O-N 3.5Å; I153-K155 VanDerWaalsContact C-N 3.28Å; I153-K155 PolarHBondContact O-N 3.14Å |
| 156 | S | 89.1 | Confident | 78.5 | Confident | 63 Ų | 63 | 78.8 Ų | 78.8 | 44% | 0.441 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -75.7 | -28.7 | 178.3 | -63.3 | 0 | 0 | 0 | 0 | 113.2 | C152 I153 I269 | C152-S156 PolarHBondContact O-N 3.24Å; C152-S156 PolarHBondContact O-OG 3.29Å; I153-S156 CarbonylContact O-C 3.46Å; I153-S156 PolarHBondContact O-N 3Å; S156-I269 VanDerWaalsContact CB-CG2 3.49Å |
| 157 | L | 82.3 | Confident | 77 | Confident | 19 Ų | 19 | 78 Ų | 78 | 10% | 0.099 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -125 | 80.8 | 176 | -66.4 | 174.4 | 0 | 0 | 0 | 110.9 | I153 Q154 G159 F160 K262 L266 I269 | I153-L157 HydrophobicContact CG2-CD1 4.49Å; I153-L157 PolarHBondContact O-N 3.24Å; Q154-L157 CarbonylContact O-C 3.6Å; Q154-L157 VanDerWaalsContact O-C 3.25Å; L157-G159 PolarHBondContact O-N 3.32Å; L157-F160 HydrophobicContact CB-CB 3.72Å; L157-F160 HydrophobicContact CB-CG 4.44Å; L157-F160 HydrophobicContact CD1-CD2 4.49Å; L157-F160 HydrophobicContact CD1-CG 4.49Å; L157-F160 WeakPolarHBondContact O-CB 3.31Å; L157-F160 PolarHBondContact O-N 3.38Å; L157-K262 HydrophobicContact CD2-CB 4.44Å; L157-K262 HydrophobicContact CD2-CG 4.26Å; L157-L266 HydrophobicContact CD1-CD1 3.55Å; L157-I269 HydrophobicContact CD1-CD1 3.92Å; L157-I269 HydrophobicContact CD2-CD1 3.63Å; L157-I269 HydrophobicContact CG-CD1 3.67Å |
| 158 | P | 83.8 | Confident | 75.3 | Confident | 101 Ų | 101 | 78.8 Ų | 78.8 | 66% | 0.656 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 128.2 | 178.4 | -26.9 | 35 | 0 | 0 | 0 | 112.2 | F160 | P158-F160 VanDerWaalsContact C-N 3.33Š|
| 159 | G | 79.6 | Confident | 73.7 | Confident | 77 Ų | 77 | 79.2 Ų | 79.2 | 79% | 0.794 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.7 | -6.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L157 | L157-G159 PolarHBondContact O-N 3.32Š|
| 160 | F | 78 | Confident | 72.3 | Confident | 52 Ų | 52 | 79.3 Ų | 79.3 | 23% | 0.228 | 44% | 0.436 | C | S | . | . | trans | -63.5 | 136.6 | 170.5 | 179.1 | -98.1 | 0 | 0 | 0 | 110.5 | I153 L157 P158 F162 L266 | I153-F160 HydrophobicContact CG2-CD1 3.79Å; I153-F160 HydrophobicContact CG2-CE1 3.9Å; L157-F160 HydrophobicContact CB-CB 3.72Å; L157-F160 HydrophobicContact CB-CG 4.44Å; L157-F160 HydrophobicContact CD1-CD2 4.49Å; L157-F160 HydrophobicContact CD1-CG 4.49Å; L157-F160 WeakPolarHBondContact O-CB 3.31Å; L157-F160 PolarHBondContact O-N 3.38Å; P158-F160 VanDerWaalsContact C-N 3.33Å; F160-F162 HydrophobicContact CD1-CE2 4.42Å; F160-F162 AromaticContact CE1-CD1 3.75Å; F160-F162 HydrophobicContact CE1-CD1 3.75Å; F160-F162 AromaticContact CE1-CD2 3.82Å; F160-F162 HydrophobicContact CE1-CD2 3.82Å; F160-F162 AromaticContact CE1-CE1 3.68Å; F160-F162 HydrophobicContact CE1-CE1 3.68Å; F160-F162 AromaticContact CE1-CE2 3.7Å; F160-F162 HydrophobicContact CE1-CE2 3.7Å; F160-F162 AromaticContact CE1-CG 3.85Å; F160-F162 HydrophobicContact CE1-CG 3.85Å; F160-F162 AromaticContact CE1-CZ 3.66Å; F160-F162 HydrophobicContact CE1-CZ 3.66Å; F160-F162 AromaticContact CZ-CD1 3.88Å; F160-F162 HydrophobicContact CZ-CD1 3.88Å; F160-F162 AromaticContact CZ-CE1 3.93Å; F160-F162 HydrophobicContact CZ-CE1 3.93Å; F160-F162 HydrophobicContact CZ-CG 4.3Å; F160-F162 HydrophobicContact CZ-CZ 4.35Å; F160-L266 HydrophobicContact CD2-CD1 4.42Å; F160-L266 HydrophobicContact CE1-CD1 4.29Å; F160-L266 HydrophobicContact CE2-CD1 3.92Å; F160-L266 HydrophobicContact CE2-CD2 3.79Å; F160-L266 HydrophobicContact CZ-CD1 3.85Å; F160-L266 HydrophobicContact CZ-CD2 3.92Å | ||
| 161 | R | 71.8 | Confident | 71.3 | Confident | 215 Ų | 215 | 79.8 Ų | 79.8 | 81% | 0.811 | 44% | 0.438 | S | S | * | . | trans | -134.3 | 133.7 | 170.7 | -66.9 | -173.6 | 178 | -177.3 | -0.7 | 107.9 | ||||
| 162 | F | 65.9 | Low | 69.8 | Low | 46 Ų | 46 | 77 Ų | 77 | 20% | 0.202 | 42% | 0.42 | C | S | . | . | trans | -63 | 136.1 | 169.6 | -69.3 | -81 | 0 | 0 | 0 | 109.1 | E150 I153 F160 M164 | E150-F162 HydrophobicContact CB-CD2 4.46Å; E150-F162 HydrophobicContact CB-CE2 3.84Å; E150-F162 HydrophobicContact CG-CD2 4.03Å; E150-F162 HydrophobicContact CG-CE2 3.53Å; E150-F162 HydrophobicContact CG-CZ 4.21Å; I153-F162 HydrophobicContact CD1-CZ 3.75Å; I153-F162 HydrophobicContact CG2-CZ 4.4Å; F160-F162 HydrophobicContact CD1-CE2 4.42Å; F160-F162 AromaticContact CE1-CD1 3.75Å; F160-F162 HydrophobicContact CE1-CD1 3.75Å; F160-F162 AromaticContact CE1-CD2 3.82Å; F160-F162 HydrophobicContact CE1-CD2 3.82Å; F160-F162 AromaticContact CE1-CE1 3.68Å; F160-F162 HydrophobicContact CE1-CE1 3.68Å; F160-F162 AromaticContact CE1-CE2 3.7Å; F160-F162 HydrophobicContact CE1-CE2 3.7Å; F160-F162 AromaticContact CE1-CG 3.85Å; F160-F162 HydrophobicContact CE1-CG 3.85Å; F160-F162 AromaticContact CE1-CZ 3.66Å; F160-F162 HydrophobicContact CE1-CZ 3.66Å; F160-F162 AromaticContact CZ-CD1 3.88Å; F160-F162 HydrophobicContact CZ-CD1 3.88Å; F160-F162 AromaticContact CZ-CE1 3.93Å; F160-F162 HydrophobicContact CZ-CE1 3.93Å; F160-F162 HydrophobicContact CZ-CG 4.3Å; F160-F162 HydrophobicContact CZ-CZ 4.35Å; F162-M164 WeakPolarHBondContact CB-O 3.23Å; F162-M164 PolarHBondContact O-N 3.01Å | ||
| 163 | P | 58.4 | Low | 68.4 | Low | 87 Ų | 87 | 77.5 Ų | 77.5 | 57% | 0.565 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -70.2 | -16.7 | 179.8 | 28.1 | -34.2 | 0 | 0 | 0 | 112.5 | L168 | P163-L168 HydrophobicContact CG-CD1 3.76Å; P163-L168 HydrophobicContact CG-CD2 3.58Å; P163-L168 HydrophobicContact CG-CG 3.39Å |
| 164 | M | 61.9 | Low | 67.3 | Low | 123 Ų | 123 | 82.9 Ų | 82.9 | 61% | 0.606 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -142.1 | 154 | 178.4 | -55.5 | -173.5 | 94.5 | 0 | 0 | 110.1 | F162 G166 G167 | F162-M164 WeakPolarHBondContact CB-O 3.23Å; F162-M164 PolarHBondContact O-N 3.01Å; M164-G166 PolarHBondContact O-N 3.26Å; M164-G167 PolarHBondContact O-N 3.26Å; M164-G167 VanDerWaalsContact O-N 3.11Å |
| 165 | K | 56.5 | Low | 66 | Low | 216 Ų | 216 | 79.7 Ų | 79.7 | 94% | 0.939 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 122.2 | 169 | -70.3 | -174.4 | 177.5 | -176.1 | 0 | 108.4 | ||
| 166 | G | 53.5 | Low | 64.6 | Low | 50 Ų | 50 | 73.5 Ų | 73.5 | 52% | 0.515 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | 1.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | M164 | M164-G166 PolarHBondContact O-N 3.26Š|
| 167 | G | 50.9 | Low | 63.3 | Low | 12 Ų | 12 | 74.5 Ų | 74.5 | 12% | 0.124 | 40% | 0.4 | C | S | . | . | trans | 84.4 | -179.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | M164 | M164-G167 PolarHBondContact O-N 3.26Å; M164-G167 VanDerWaalsContact O-N 3.11Å | ||
| 168 | L | 48.4 | Very low | 62.3 | Low | 122 Ų | 122 | 74.7 Ų | 74.7 | 64% | 0.639 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -86.6 | 131.7 | 171.9 | -72.8 | 172.5 | 0 | 0 | 0 | 109.1 | P163 A170 | P163-L168 HydrophobicContact CG-CD1 3.76Å; P163-L168 HydrophobicContact CG-CD2 3.58Å; P163-L168 HydrophobicContact CG-CG 3.39Å; L168-A170 PolarHBondContact O-N 3.32Å |
| 169 | P | 52.1 | Low | 61.3 | Low | 61 Ų | 61 | 71.7 Ų | 71.7 | 40% | 0.396 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -51 | 123.7 | 163.3 | -28.8 | 37.5 | 0 | 0 | 0 | 110.6 | L173 M177 | P169-L173 HydrophobicContact CB-CB 4.26Å; P169-L173 HydrophobicContact CB-CD2 3.8Å; P169-L173 HydrophobicContact CB-CG 4.49Å; P169-L173 HydrophobicContact CG-CD2 4.34Å; P169-M177 HydrophobicContact CB-CE 4.02Å; P169-M177 HydrophobicContact CG-CE 4.2Å |
| 170 | A | 57.8 | Low | 60.5 | Low | 15 Ų | 15 | 76 Ų | 76 | 12% | 0.124 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -57 | 155.3 | 167 | 0 | 0 | 0 | 0 | 0 | 110 | L168 L172 L173 Y174 | L168-A170 PolarHBondContact O-N 3.32Å; A170-L172 PolarHBondContact O-N 2.94Å; A170-L173 HydrophobicContact CB-CB 4.35Å; A170-L173 WeakPolarHBondContact O-CA 3.46Å; A170-L173 WeakPolarHBondContact O-CB 3.34Å; A170-L173 PolarHBondContact O-N 3.24Å; A170-Y174 PolarHBondContact O-N 2.89Å |
| 171 | H | 61.5 | Low | 59.4 | Low | 46 Ų | 46 | 77.5 Ų | 77.5 | 21% | 0.213 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -54.6 | -39.2 | 177.5 | -66.6 | -71.3 | 0 | 0 | 0 | 111.9 | Y174 F175 S248 S320 M323 | H171-Y174 PolarHBondContact O-N 3.06Å; H171-F175 WeakPolarHBondContact O-CB 3.33Å; H171-F175 PolarHBondContact O-N 3.4Å; H171-S248 PolarHBondContact CE1-OG 3.38Å; H171-S248 PolarHBondContact NE2-OG 3.34Å; H171-S320 PolarHBondContact N-OG 2.69Å; H171-M323 HydrophobicContact CB-SD 4Å |
| 172 | L | 58.6 | Low | 58.7 | Low | 24 Ų | 24 | 72.6 Ų | 72.6 | 13% | 0.126 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.5 | -35.6 | 171.9 | -82.7 | 167.8 | 0 | 0 | 0 | 113.6 | A170 F175 D176 R316 R319 M323 | A170-L172 PolarHBondContact O-N 2.94Å; L172-F175 PolarHBondContact O-N 2.8Å; L172-D176 WeakPolarHBondContact O-CB 3.23Å; L172-D176 PolarHBondContact O-N 2.74Å; L172-R316 HydrophobicContact CB-CG 3.71Å; L172-R316 HydrophobicContact CD1-CB 4.42Å; L172-R316 HydrophobicContact CD1-CG 3.44Å; L172-R316 VanDerWaalsContact CD1-CG 3.44Å; L172-R316 VanDerWaalsContact CD1-O 3.26Å; L172-R316 WeakPolarHBondContact CD1-O 3.46Å; L172-R316 HydrophobicContact CG-CG 4.14Å; L172-R319 HydrophobicContact CD1-CB 3.82Å; L172-M323 HydrophobicContact CB-SD 4.4Å; L172-M323 HydrophobicContact CD1-SD 4.14Å; L172-M323 HydrophobicContact CD2-CE 3.2Å; L172-M323 HydrophobicContact CD2-SD 3.81Å; L172-M323 HydrophobicContact CG-CE 3.55Å; L172-M323 HydrophobicContact CG-CG 4.43Å; L172-M323 HydrophobicContact CG-SD 3.42Å; L172-M323 WeakPolarHBondContact CG-SD 3.4Å |
| 173 | L | 60.5 | Low | 58.1 | Low | 31 Ų | 31 | 72.3 Ų | 72.3 | 16% | 0.162 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -69 | -44.6 | 177.1 | -166.1 | 83.6 | 0 | 0 | 0 | 109.8 | A5 P169 A170 F175 D176 M177 | A5-L173 HydrophobicContact CB-CD2 4.47Å; P169-L173 HydrophobicContact CB-CB 4.26Å; P169-L173 HydrophobicContact CB-CD2 3.8Å; P169-L173 HydrophobicContact CB-CG 4.49Å; P169-L173 HydrophobicContact CG-CD2 4.34Å; A170-L173 HydrophobicContact CB-CB 4.35Å; A170-L173 WeakPolarHBondContact O-CA 3.46Å; A170-L173 WeakPolarHBondContact O-CB 3.34Å; A170-L173 PolarHBondContact O-N 3.24Å; L173-F175 VanDerWaalsContact C-N 3.32Å; L173-F175 PolarHBondContact O-N 2.62Å; L173-D176 PolarHBondContact O-N 2.96Å; L173-M177 HydrophobicContact CD2-CE 3.98Å; L173-M177 HydrophobicContact CD2-SD 4.33Å; L173-M177 HydrophobicContact CG-CE 3.99Å; L173-M177 HydrophobicContact CG-CG 4.4Å; L173-M177 HydrophobicContact CG-SD 4.28Å; L173-M177 VanDerWaalsContact O-CB 3.24Å; L173-M177 WeakPolarHBondContact O-CB 3.5Å; L173-M177 WeakPolarHBondContact O-CG 3Å; L173-M177 PolarHBondContact O-N 3.14Å |
| 174 | Y | 62.3 | Low | 57.6 | Low | 115 Ų | 115 | 70.8 Ų | 70.8 | 45% | 0.451 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.6 | -46.5 | 174 | -175.6 | -90.4 | 0 | 0 | 0 | 110.8 | A170 H171 T178 L244 | A170-Y174 PolarHBondContact O-N 2.89Å; H171-Y174 PolarHBondContact O-N 3.06Å; Y174-T178 WeakPolarHBondContact CE1-OG1 3.29Å; Y174-T178 VanDerWaalsContact O-CB 3.25Å; Y174-T178 WeakPolarHBondContact O-CB 2.89Å; Y174-T178 PolarHBondContact O-N 2.05Å; Y174-T178 PolarHBondContact O-OG1 2.91Å; Y174-L244 HydrophobicContact CD1-CD1 3.66Å; Y174-L244 HydrophobicContact CE1-CD1 3.97Å; Y174-L244 HydrophobicContact CG-CD1 4.34Å |
| 175 | F | 62 | Low | 57 | Low | 19 Ų | 19 | 71.1 Ų | 71.1 | 8% | 0.083 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.5 | -50 | 177.3 | -178.3 | -105.3 | 0 | 0 | 0 | 112.5 | H171 L172 L173 M177 T178 V179 L237 F328 L332 | H171-F175 WeakPolarHBondContact O-CB 3.33Å; H171-F175 PolarHBondContact O-N 3.4Å; L172-F175 PolarHBondContact O-N 2.8Å; L173-F175 VanDerWaalsContact C-N 3.32Å; L173-F175 PolarHBondContact O-N 2.62Å; F175-M177 PolarHBondContact O-N 3.46Å; F175-T178 PolarHBondContact O-N 3.12Å; F175-T178 VanDerWaalsContact O-N 3.14Å; F175-V179 HydrophobicContact CD1-CG2 4.17Å; F175-V179 HydrophobicContact CD2-CG2 4.3Å; F175-V179 HydrophobicContact CE1-CG2 3.77Å; F175-V179 HydrophobicContact CE2-CG2 3.88Å; F175-V179 HydrophobicContact CG-CG2 4.43Å; F175-V179 HydrophobicContact CZ-CG2 3.61Å; F175-V179 WeakPolarHBondContact O-CB 3.33Å; F175-V179 VanDerWaalsContact O-CG2 3.31Å; F175-V179 WeakPolarHBondContact O-CG2 3.45Å; F175-V179 PolarHBondContact O-N 3.07Å; F175-L237 HydrophobicContact CD2-CD2 3.96Å; F175-L237 HydrophobicContact CE2-CB 4.13Å; F175-L237 HydrophobicContact CE2-CD1 4.34Å; F175-L237 HydrophobicContact CE2-CD2 3.89Å; F175-L237 HydrophobicContact CE2-CG 4.37Å; F175-F328 HydrophobicContact CD2-CE2 4.27Å; F175-F328 HydrophobicContact CE2-CD2 4.48Å; F175-F328 AromaticContact CE2-CE2 3.43Å; F175-F328 HydrophobicContact CE2-CE2 3.43Å; F175-F328 VanDerWaalsContact CE2-CE2 3.43Å; F175-F328 AromaticContact CE2-CZ 3.84Å; F175-F328 HydrophobicContact CE2-CZ 3.84Å; F175-F328 AromaticContact CZ-CE2 3.97Å; F175-F328 HydrophobicContact CZ-CE2 3.97Å; F175-F328 HydrophobicContact CZ-CZ 4.13Å; F175-L332 HydrophobicContact CE1-CD2 4.31Å; F175-L332 HydrophobicContact CZ-CD2 3.71Å |
| 176 | D | 62.2 | Low | 57 | Low | 50 Ų | 50 | 62.3 Ų | 62.3 | 27% | 0.267 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 177.8 | 180 | 45.3 | 0 | 0 | 0 | 111.5 | L172 L173 T178 V179 R180 | L172-D176 WeakPolarHBondContact O-CB 3.23Å; L172-D176 PolarHBondContact O-N 2.74Å; L173-D176 PolarHBondContact O-N 2.96Å; D176-T178 VanDerWaalsContact C-N 3.33Å; D176-T178 PolarHBondContact O-N 2.91Å; D176-V179 PolarHBondContact O-N 3.25Å; D176-R180 VanDerWaalsContact O-CB 3.26Å; D176-R180 WeakPolarHBondContact O-CB 3.3Å; D176-R180 WeakPolarHBondContact O-CG 3.44Å; D176-R180 PolarHBondContact O-N 3.13Å; D176-R180 IonicContact OD1-CZ 3.07Å; D176-R180 IonicContact OD1-NE 3Å; D176-R180 PolarHBondContact OD1-NE 2.84Å; D176-R180 IonicContact OD1-NH2 2.72Å; D176-R180 PolarHBondContact OD1-NH2 3.47Å; D176-R180 IonicContact OD2-CZ 2.84Å; D176-R180 IonicContact OD2-NE 3.7Å; D176-R180 PolarHBondContact OD2-NE 3.4Å; D176-R180 IonicContact OD2-NH2 3.56Å; D176-R180 PolarHBondContact OD2-NH2 2.78Å |
| 177 | M | 61 | Low | 57.5 | Low | 83 Ų | 83 | 66.5 Ų | 66.5 | 41% | 0.409 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.2 | -41.6 | 173.4 | -73.4 | -172.7 | -58.9 | 0 | 0 | 111.6 | P169 L173 F175 R180 A181 | P169-M177 HydrophobicContact CB-CE 4.02Å; P169-M177 HydrophobicContact CG-CE 4.2Å; L173-M177 HydrophobicContact CD2-CE 3.98Å; L173-M177 HydrophobicContact CD2-SD 4.33Å; L173-M177 HydrophobicContact CG-CE 3.99Å; L173-M177 HydrophobicContact CG-CG 4.4Å; L173-M177 HydrophobicContact CG-SD 4.28Å; L173-M177 VanDerWaalsContact O-CB 3.24Å; L173-M177 WeakPolarHBondContact O-CB 3.5Å; L173-M177 WeakPolarHBondContact O-CG 3Å; L173-M177 PolarHBondContact O-N 3.14Å; F175-M177 PolarHBondContact O-N 3.46Å; M177-R180 PolarHBondContact O-N 3.49Å; M177-A181 WeakPolarHBondContact O-CB 3.28Å; M177-A181 PolarHBondContact O-N 2.89Å |
| 178 | T | 61.6 | Low | 58.2 | Low | 23 Ų | 23 | 72.3 Ų | 72.3 | 14% | 0.141 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65 | -49.1 | 178.2 | -55.4 | 0 | 0 | 0 | 0 | 110 | Y174 F175 D176 R180 A181 Y182 L237 | Y174-T178 WeakPolarHBondContact CE1-OG1 3.29Å; Y174-T178 VanDerWaalsContact O-CB 3.25Å; Y174-T178 WeakPolarHBondContact O-CB 2.89Å; Y174-T178 PolarHBondContact O-N 2.05Å; Y174-T178 PolarHBondContact O-OG1 2.91Å; F175-T178 PolarHBondContact O-N 3.12Å; F175-T178 VanDerWaalsContact O-N 3.14Å; D176-T178 VanDerWaalsContact C-N 3.33Å; D176-T178 PolarHBondContact O-N 2.91Å; T178-R180 VanDerWaalsContact C-N 3.34Å; T178-R180 PolarHBondContact O-N 3.27Å; T178-A181 PolarHBondContact O-N 3.43Å; T178-Y182 HydrophobicContact CG2-CD2 3.76Å; T178-Y182 HydrophobicContact CG2-CE2 3.33Å; T178-Y182 WeakPolarHBondContact O-CD2 3.46Å; T178-Y182 PolarHBondContact O-N 3.13Å; T178-Y182 VanDerWaalsContact O-N 3.13Å; T178-L237 HydrophobicContact CG2-CD2 3.28Å; T178-L237 HydrophobicContact CG2-CG 4.36Å |
| 179 | V | 62.1 | Low | 59.1 | Low | 38 Ų | 38 | 69 Ų | 69 | 23% | 0.23 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.7 | -44.9 | 174.7 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | F175 D176 Y182 A183 L237 | F175-V179 HydrophobicContact CD1-CG2 4.17Å; F175-V179 HydrophobicContact CD2-CG2 4.3Å; F175-V179 HydrophobicContact CE1-CG2 3.77Å; F175-V179 HydrophobicContact CE2-CG2 3.88Å; F175-V179 HydrophobicContact CG-CG2 4.43Å; F175-V179 HydrophobicContact CZ-CG2 3.61Å; F175-V179 WeakPolarHBondContact O-CB 3.33Å; F175-V179 VanDerWaalsContact O-CG2 3.31Å; F175-V179 WeakPolarHBondContact O-CG2 3.45Å; F175-V179 PolarHBondContact O-N 3.07Å; D176-V179 PolarHBondContact O-N 3.25Å; V179-Y182 CarbonylContact O-C 3.54Å; V179-Y182 PolarHBondContact O-N 3.22Å; V179-A183 WeakPolarHBondContact O-CB 3.37Å; V179-A183 PolarHBondContact O-N 3.31Å; V179-L237 HydrophobicContact CG2-CD1 3.86Å; V179-L237 HydrophobicContact CG2-CD2 4.37Å |
| 180 | R | 62.9 | Low | 60.1 | Low | 169 Ų | 169 | 67 Ų | 67 | 64% | 0.638 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -67.5 | -42.8 | 178.8 | -74.9 | 178.8 | -165.3 | -159.9 | 10 | 113.3 | D176 M177 T178 Y182 A183 | D176-R180 VanDerWaalsContact O-CB 3.26Å; D176-R180 WeakPolarHBondContact O-CB 3.3Å; D176-R180 WeakPolarHBondContact O-CG 3.44Å; D176-R180 PolarHBondContact O-N 3.13Å; D176-R180 IonicContact OD1-CZ 3.07Å; D176-R180 IonicContact OD1-NE 3Å; D176-R180 PolarHBondContact OD1-NE 2.84Å; D176-R180 IonicContact OD1-NH2 2.72Å; D176-R180 PolarHBondContact OD1-NH2 3.47Å; D176-R180 IonicContact OD2-CZ 2.84Å; D176-R180 IonicContact OD2-NE 3.7Å; D176-R180 PolarHBondContact OD2-NE 3.4Å; D176-R180 IonicContact OD2-NH2 3.56Å; D176-R180 PolarHBondContact OD2-NH2 2.78Å; M177-R180 PolarHBondContact O-N 3.49Å; T178-R180 VanDerWaalsContact C-N 3.34Å; T178-R180 PolarHBondContact O-N 3.27Å; R180-Y182 PolarHBondContact O-N 3.37Å; R180-A183 PolarHBondContact O-N 2.78Å |
| 181 | A | 56.7 | Low | 60.8 | Low | 82 Ų | 82 | 73.4 Ų | 73.4 | 68% | 0.678 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -58.6 | -32.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | M177 T178 | M177-A181 WeakPolarHBondContact O-CB 3.28Å; M177-A181 PolarHBondContact O-N 2.89Å; T178-A181 PolarHBondContact O-N 3.43Å |
| 182 | Y | 55.2 | Low | 61.3 | Low | 112 Ų | 112 | 72.1 Ų | 72.1 | 44% | 0.439 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -88 | -23.4 | 174.1 | -62.6 | -58 | 0 | 0 | 0 | 113.8 | T178 V179 R180 S184 | T178-Y182 HydrophobicContact CG2-CD2 3.76Å; T178-Y182 HydrophobicContact CG2-CE2 3.33Å; T178-Y182 WeakPolarHBondContact O-CD2 3.46Å; T178-Y182 PolarHBondContact O-N 3.13Å; T178-Y182 VanDerWaalsContact O-N 3.13Å; V179-Y182 CarbonylContact O-C 3.54Å; V179-Y182 PolarHBondContact O-N 3.22Å; R180-Y182 PolarHBondContact O-N 3.37Å; Y182-S184 VanDerWaalsContact C-N 3.35Å; Y182-S184 PolarHBondContact O-N 2.96Å |
| 183 | A | 55.2 | Low | 62.2 | Low | 41 Ų | 41 | 71 Ų | 71 | 34% | 0.339 | 35% | 0.352 | S | S | . | . | trans | -84.5 | 65.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | V179 R180 | V179-A183 WeakPolarHBondContact O-CB 3.37Å; V179-A183 PolarHBondContact O-N 3.31Å; R180-A183 PolarHBondContact O-N 2.78Å | ||
| 184 | S | 46.9 | Very low | 63 | Low | 55 Ų | 55 | 69.7 Ų | 69.7 | 39% | 0.385 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -86.4 | -168.1 | 155.9 | 78.5 | 0 | 0 | 0 | 0 | 109.2 | Y182 H186 R187 | Y182-S184 VanDerWaalsContact C-N 3.35Å; Y182-S184 PolarHBondContact O-N 2.96Å; S184-H186 PolarHBondContact O-N 3.24Å; S184-R187 PolarHBondContact O-N 2.59Å |
| 185 | P | 48.4 | Very low | 63.7 | Low | 130 Ų | 130 | 67.5 Ų | 67.5 | 84% | 0.844 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 5.1 | -163.2 | 17.9 | -30.1 | 0 | 0 | 0 | 118.7 | R187 | P185-R187 VanDerWaalsContact C-N 3.25Å; P185-R187 PolarHBondContact O-N 3.34Å |
| 186 | H | 57.7 | Low | 64.5 | Low | 31 Ų | 31 | 69.6 Ų | 69.6 | 14% | 0.144 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 6.7 | 165.2 | -53.5 | -67.3 | 0 | 0 | 0 | 115.2 | S184 F188 F189 T190 Q227 R228 | S184-H186 PolarHBondContact O-N 3.24Å; H186-F188 CarbonylContact O-C 3.58Å; H186-F188 PolarHBondContact O-N 2.73Å; H186-F189 WeakPolarHBondContact O-CA 3.47Å; H186-F189 PolarHBondContact O-N 3.06Å; H186-T190 PolarHBondContact O-N 3.39Å; H186-T190 PolarHBondContact O-OG1 2.97Å; H186-Q227 PolarHBondContact CE1-O 3.19Å; H186-R228 WeakPolarHBondContact NE2-CD 3.48Å; H186-R228 PolarHBondContact NE2-NE 2.74Å |
| 187 | R | 64.6 | Low | 65.4 | Low | 138 Ų | 138 | 67.2 Ų | 67.2 | 52% | 0.521 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -47 | -36.8 | -175.7 | -168.9 | 175.5 | 179.1 | -141.5 | 3.9 | 114.6 | W32 S184 P185 W191 | W32-R187 VanDerWaalsContact CD1-CZ 3.5Å; W32-R187 VanDerWaalsContact CG-NH1 3.29Å; W32-R187 VanDerWaalsContact NE1-CZ 3.26Å; S184-R187 PolarHBondContact O-N 2.59Å; P185-R187 VanDerWaalsContact C-N 3.25Å; P185-R187 PolarHBondContact O-N 3.34Å; R187-W191 WeakPolarHBondContact O-CB 3.35Å; R187-W191 PolarHBondContact O-N 3.17Å |
| 188 | F | 65.1 | Low | 66.3 | Low | 134 Ų | 134 | 66.9 Ų | 66.9 | 59% | 0.588 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -64.3 | -44.7 | 173.8 | 177 | -98.3 | 0 | 0 | 0 | 112.8 | H186 W191 A192 | H186-F188 CarbonylContact O-C 3.58Å; H186-F188 PolarHBondContact O-N 2.73Å; F188-W191 HydrophobicContact CD2-CE3 4.16Å; F188-W191 HydrophobicContact CD2-CZ3 4.39Å; F188-W191 HydrophobicContact CE2-CE3 4.13Å; F188-W191 AromaticContact CE2-CZ3 3.94Å; F188-W191 HydrophobicContact CE2-CZ3 3.94Å; F188-W191 PolarHBondContact O-N 2.9Å; F188-A192 VanDerWaalsContact O-CB 3.29Å; F188-A192 WeakPolarHBondContact O-CB 3.49Å; F188-A192 PolarHBondContact O-N 3.43Å |
| 189 | F | 67.2 | Low | 67.2 | Low | 52 Ų | 52 | 69.5 Ų | 69.5 | 23% | 0.228 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -70.7 | -39.8 | 178.7 | -64.2 | -78.5 | 0 | 0 | 0 | 112 | H186 W191 A192 A193 F223 Q227 | H186-F189 WeakPolarHBondContact O-CA 3.47Å; H186-F189 PolarHBondContact O-N 3.06Å; F189-W191 VanDerWaalsContact C-N 3.34Å; F189-A192 PolarHBondContact O-N 3.37Å; F189-A193 WeakPolarHBondContact O-CB 3.26Å; F189-A193 PolarHBondContact O-N 2.93Å; F189-F223 HydrophobicContact CB-CD1 4.41Å; F189-F223 HydrophobicContact CB-CE1 4.2Å; F189-F223 HydrophobicContact CD1-CE1 4.31Å; F189-F223 WeakPolarHBondContact O-CE1 3.18Å; F189-Q227 HydrophobicContact CD2-CB 4.42Å; F189-Q227 HydrophobicContact CE2-CB 4.28Å; F189-Q227 HydrophobicContact CE2-CG 4.19Å; F189-Q227 HydrophobicContact CZ-CB 4.49Å; F189-Q227 HydrophobicContact CZ-CG 4.09Å |
| 190 | T | 72.2 | Confident | 68.1 | Low | 19 Ų | 19 | 68.5 Ų | 68.5 | 12% | 0.117 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 172.5 | -50.9 | 0 | 0 | 0 | 0 | 110.7 | H186 A193 G194 | H186-T190 PolarHBondContact O-N 3.39Å; H186-T190 PolarHBondContact O-OG1 2.97Å; T190-A193 PolarHBondContact O-N 2.78Å; T190-G194 PolarHBondContact O-N 2.95Å |
| 191 | W | 72.4 | Confident | 68.9 | Low | 149 Ų | 149 | 64 Ų | 64 | 56% | 0.564 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -61.5 | -47.6 | 174.5 | 174.3 | 79 | 0 | 0 | 0 | 112.4 | R187 F188 F189 A193 G194 L195 | R187-W191 WeakPolarHBondContact O-CB 3.35Å; R187-W191 PolarHBondContact O-N 3.17Å; F188-W191 HydrophobicContact CD2-CE3 4.16Å; F188-W191 HydrophobicContact CD2-CZ3 4.39Å; F188-W191 HydrophobicContact CE2-CE3 4.13Å; F188-W191 AromaticContact CE2-CZ3 3.94Å; F188-W191 HydrophobicContact CE2-CZ3 3.94Å; F188-W191 PolarHBondContact O-N 2.9Å; F189-W191 VanDerWaalsContact C-N 3.34Å; W191-A193 VanDerWaalsContact C-N 3.35Å; W191-A193 PolarHBondContact O-N 2.78Å; W191-G194 PolarHBondContact O-N 3.44Å; W191-L195 HydrophobicContact CD2-CD1 4Å; W191-L195 HydrophobicContact CD2-CG 4.5Å; W191-L195 HydrophobicContact CE3-CD1 4.12Å; W191-L195 HydrophobicContact CH2-CD1 3.49Å; W191-L195 VanDerWaalsContact CH2-CD1 3.49Å; W191-L195 HydrophobicContact CZ2-CD1 3.34Å; W191-L195 HydrophobicContact CZ2-CG 4.34Å; W191-L195 HydrophobicContact CZ3-CD1 3.88Å; W191-L195 PolarHBondContact O-N 3.22Å |
| 192 | A | 73.2 | Confident | 69.9 | Low | 19 Ų | 19 | 65 Ų | 65 | 16% | 0.157 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | F188 F189 L195 L196 F223 | F188-A192 VanDerWaalsContact O-CB 3.29Å; F188-A192 WeakPolarHBondContact O-CB 3.49Å; F188-A192 PolarHBondContact O-N 3.43Å; F189-A192 PolarHBondContact O-N 3.37Å; A192-L195 PolarHBondContact O-N 3.4Å; A192-L196 WeakPolarHBondContact O-CG 3.43Å; A192-L196 PolarHBondContact O-N 2.92Å; A192-F223 HydrophobicContact CB-CZ 4.43Å |
| 193 | A | 76.9 | Confident | 70.9 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61 | -44.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | F189 T190 W191 L196 H197 F223 F231 M234 | F189-A193 WeakPolarHBondContact O-CB 3.26Å; F189-A193 PolarHBondContact O-N 2.93Å; T190-A193 PolarHBondContact O-N 2.78Å; W191-A193 VanDerWaalsContact C-N 3.35Å; W191-A193 PolarHBondContact O-N 2.78Å; A193-L196 PolarHBondContact O-N 3.47Å; A193-H197 VanDerWaalsContact O-CB 3.26Å; A193-H197 WeakPolarHBondContact O-CB 3.38Å; A193-H197 PolarHBondContact O-N 2.83Å; A193-F223 HydrophobicContact CB-CD1 4.4Å; A193-F223 HydrophobicContact CB-CE1 3.9Å; A193-F223 HydrophobicContact CB-CZ 4.04Å; A193-F231 HydrophobicContact CB-CB 4.27Å; A193-F231 HydrophobicContact CB-CD2 4.12Å; A193-M234 HydrophobicContact CB-CG 4Å |
| 194 | G | 76.6 | Confident | 72 | Confident | 4 Ų | 4 | 67.2 Ų | 67.2 | 4% | 0.041 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.2 | -35 | 176 | 0 | 0 | 0 | 0 | 0 | 114.1 | T190 W191 R198 | T190-G194 PolarHBondContact O-N 2.95Å; W191-G194 PolarHBondContact O-N 3.44Å; G194-R198 WeakPolarHBondContact O-CG 3.38Å; G194-R198 PolarHBondContact O-N 3.25Å; G194-R198 VanDerWaalsContact O-N 3.11Å; G194-R198 PolarHBondContact O-NE 2.85Å |
| 195 | L | 77 | Confident | 73.3 | Confident | 70 Ų | 70 | 68.6 Ų | 68.6 | 37% | 0.366 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.8 | -44.7 | 172.1 | -74.4 | -179.9 | 0 | 0 | 0 | 112.4 | W191 A192 H197 R198 L199 | W191-L195 HydrophobicContact CD2-CD1 4Å; W191-L195 HydrophobicContact CD2-CG 4.5Å; W191-L195 HydrophobicContact CE3-CD1 4.12Å; W191-L195 HydrophobicContact CH2-CD1 3.49Å; W191-L195 VanDerWaalsContact CH2-CD1 3.49Å; W191-L195 HydrophobicContact CZ2-CD1 3.34Å; W191-L195 HydrophobicContact CZ2-CG 4.34Å; W191-L195 HydrophobicContact CZ3-CD1 3.88Å; W191-L195 PolarHBondContact O-N 3.22Å; A192-L195 PolarHBondContact O-N 3.4Å; L195-H197 VanDerWaalsContact C-N 3.34Å; L195-R198 PolarHBondContact O-N 3.11Å; L195-L199 WeakPolarHBondContact O-CB 3.34Å; L195-L199 PolarHBondContact O-N 3.41Å |
| 196 | L | 79.3 | Confident | 74.6 | Confident | 62 Ų | 62 | 63.7 Ų | 63.7 | 33% | 0.325 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.4 | -38.3 | 178.6 | -72.9 | 168.6 | 0 | 0 | 0 | 111.9 | A192 A193 L199 L200 L219 F223 F231 | A192-L196 WeakPolarHBondContact O-CG 3.43Å; A192-L196 PolarHBondContact O-N 2.92Å; A193-L196 PolarHBondContact O-N 3.47Å; L196-L199 PolarHBondContact O-N 3.35Å; L196-L200 WeakPolarHBondContact O-CG 3.33Å; L196-L200 PolarHBondContact O-N 3.48Å; L196-L219 HydrophobicContact CB-CD1 4.11Å; L196-L219 HydrophobicContact CD1-CD2 4.07Å; L196-F223 HydrophobicContact CD1-CE2 3.69Å; L196-F223 HydrophobicContact CD1-CZ 3.85Å; L196-F231 HydrophobicContact CB-CE2 4.1Å |
| 197 | H | 82.1 | Confident | 75 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.5 | -53.4 | 175.5 | 175.4 | -77 | 0 | 0 | 0 | 110.3 | A193 L195 L199 L200 R201 F231 E238 F328 D329 | A193-H197 VanDerWaalsContact O-CB 3.26Å; A193-H197 WeakPolarHBondContact O-CB 3.38Å; A193-H197 PolarHBondContact O-N 2.83Å; L195-H197 VanDerWaalsContact C-N 3.34Å; H197-L199 VanDerWaalsContact C-N 3.28Å; H197-L199 PolarHBondContact O-N 3Å; H197-L200 WeakPolarHBondContact O-CB 3.4Å; H197-L200 PolarHBondContact O-N 3.02Å; H197-R201 WeakPolarHBondContact O-CG 3.44Å; H197-R201 PolarHBondContact O-N 3.14Å; H197-F231 HydrophobicContact CB-CE2 3.9Å; H197-F231 HydrophobicContact CB-CZ 4.31Å; H197-E238 IonicContact CD2-OE2 3.74Å; H197-E238 IonicContact CE1-OE1 3.5Å; H197-E238 IonicContact CE1-OE2 2.59Å; H197-E238 VanDerWaalsContact NE2-CD 3.3Å; H197-E238 IonicContact NE2-OE1 2.82Å; H197-E238 IonicContact NE2-OE2 3.1Å; H197-E238 PolarHBondContact NE2-OE2 2.78Å; H197-F328 AromaticContact CE1-CD1 3.52Å; H197-F328 AromaticContact CE1-CE1 3.73Å; H197-D329 IonicContact CE1-OD1 2.71Å; H197-D329 PolarHBondContact CE1-OD1 3.41Å; H197-D329 VanDerWaalsContact CE1-OD1 3.29Å; H197-D329 IonicContact ND1-OD1 2.64Å; H197-D329 PolarHBondContact ND1-OD1 3.31Å; H197-D329 VanDerWaalsContact ND1-OD1 3.14Å |
| 198 | R | 80 | Confident | 75.5 | Confident | 75 Ų | 75 | 63.3 Ų | 63.3 | 28% | 0.283 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -54.3 | -42.8 | 174.8 | -76.8 | -173.3 | -79.7 | -163 | -13.3 | 113.1 | G194 L195 L200 R201 Q202 D329 L332 | G194-R198 WeakPolarHBondContact O-CG 3.38Å; G194-R198 PolarHBondContact O-N 3.25Å; G194-R198 VanDerWaalsContact O-N 3.11Å; G194-R198 PolarHBondContact O-NE 2.85Å; L195-R198 PolarHBondContact O-N 3.11Å; R198-L200 PolarHBondContact O-N 3.29Å; R198-R201 PolarHBondContact O-N 3.36Å; R198-Q202 PolarHBondContact O-N 3.34Å; R198-D329 HydrophobicContact CG-CB 4.08Å; R198-D329 WeakPolarHBondContact CG-OD1 3.24Å; R198-L332 HydrophobicContact CG-CD1 4.04Å; R198-L332 PolarHBondContact NH1-OXT 3.02Å |
| 199 | L | 79.1 | Confident | 76.1 | Confident | 78 Ų | 78 | 61.4 Ų | 61.4 | 41% | 0.408 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 177.6 | -175.9 | 65.2 | 0 | 0 | 0 | 111.8 | L195 L196 H197 R201 Q202 I205 | L195-L199 WeakPolarHBondContact O-CB 3.34Å; L195-L199 PolarHBondContact O-N 3.41Å; L196-L199 PolarHBondContact O-N 3.35Å; H197-L199 VanDerWaalsContact C-N 3.28Å; H197-L199 PolarHBondContact O-N 3Å; L199-R201 PolarHBondContact O-N 3.02Å; L199-Q202 PolarHBondContact O-N 3.2Å; L199-I205 HydrophobicContact CD1-CD1 4.12Å; L199-I205 HydrophobicContact CD1-CG1 4.14Å; L199-I205 HydrophobicContact CG-CG2 4.35Å; L199-I205 WeakPolarHBondContact O-CB 3.37Å; L199-I205 WeakPolarHBondContact O-CG1 3.49Å; L199-I205 WeakPolarHBondContact O-CG2 3.37Å |
| 200 | L | 80.8 | Confident | 76.7 | Confident | 17 Ų | 17 | 62 Ų | 62 | 9% | 0.089 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.7 | -26.7 | 177.8 | -73.3 | 172.9 | 0 | 0 | 0 | 113.6 | L196 H197 R198 C206 V215 E216 L219 F231 | L196-L200 WeakPolarHBondContact O-CG 3.33Å; L196-L200 PolarHBondContact O-N 3.48Å; H197-L200 WeakPolarHBondContact O-CB 3.4Å; H197-L200 PolarHBondContact O-N 3.02Å; R198-L200 PolarHBondContact O-N 3.29Å; L200-C206 VanDerWaalsContact CD2-SG 3.57Å; L200-V215 HydrophobicContact CD1-CG1 4.17Å; L200-V215 HydrophobicContact CD2-CB 3.89Å; L200-V215 HydrophobicContact CD2-CG1 3.54Å; L200-V215 HydrophobicContact CG-CG1 4.45Å; L200-E216 HydrophobicContact CD1-CG 4.26Å; L200-L219 HydrophobicContact CD1-CD1 3.51Å; L200-L219 HydrophobicContact CG-CD1 4.46Å; L200-F231 HydrophobicContact CD1-CE2 4.32Å; L200-F231 HydrophobicContact CD1-CZ 3.65Å |
| 201 | R | 80 | Confident | 77 | Confident | 74 Ų | 74 | 67 Ų | 67 | 28% | 0.279 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -86.7 | -13.2 | -179.7 | -62.2 | -72.2 | 178.2 | -105.2 | 0.6 | 113.4 | H197 R198 L199 E216 E238 D329 | H197-R201 WeakPolarHBondContact O-CG 3.44Å; H197-R201 PolarHBondContact O-N 3.14Å; R198-R201 PolarHBondContact O-N 3.36Å; L199-R201 PolarHBondContact O-N 3.02Å; R201-E216 IonicContact CZ-OE1 3.63Å; R201-E216 VanDerWaalsContact CZ-OE1 3.27Å; R201-E216 IonicContact NH1-OE1 3.29Å; R201-E216 PolarHBondContact NH1-OE1 2.7Å; R201-E216 IonicContact NH2-OE1 3.61Å; R201-E216 PolarHBondContact NH2-OE1 2.99Å; R201-E238 IonicContact CZ-OE1 3.51Å; R201-E238 IonicContact CZ-OE2 3.75Å; R201-E238 IonicContact NE-OE1 2.96Å; R201-E238 PolarHBondContact NE-OE1 2.97Å; R201-E238 IonicContact NE-OE2 2.66Å; R201-E238 PolarHBondContact NE-OE2 2.73Å; R201-E238 IonicContact NH2-OE1 2.79Å; R201-E238 IonicContact NH2-OE2 3.27Å; R201-E238 PolarHBondContact NH2-OE2 3.27Å; R201-D329 WeakPolarHBondContact CB-OD2 3.43Å; R201-D329 VanDerWaalsContact CG-OD2 3.26Å; R201-D329 WeakPolarHBondContact CG-OD2 3.26Å |
| 202 | Q | 78.2 | Confident | 77.4 | Confident | 105 Ų | 105 | 60.5 Ų | 60.5 | 49% | 0.491 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -63 | 135.6 | 175.2 | -76.1 | -177.4 | -3.3 | 0 | 0 | 112.3 | R198 L199 G204 I205 | R198-Q202 PolarHBondContact O-N 3.34Å; L199-Q202 PolarHBondContact O-N 3.2Å; Q202-G204 PolarHBondContact O-N 3.33Å; Q202-I205 HydrophobicContact CB-CG1 3.74Å; Q202-I205 PolarHBondContact O-N 2.82Å |
| 203 | P | 76.9 | Confident | 77.8 | Confident | 134 Ų | 134 | 65.6 Ų | 65.6 | 87% | 0.87 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 127.5 | 173.4 | -25.6 | 33.8 | 0 | 0 | 0 | 111.8 | ||
| 204 | G | 76.9 | Confident | 78.1 | Confident | 65 Ų | 65 | 70.2 Ų | 70.2 | 67% | 0.67 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.9 | -17.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116 | Q202 | Q202-G204 PolarHBondContact O-N 3.33Š|
| 205 | I | 74.7 | Confident | 78.5 | Confident | 83 Ų | 83 | 72.6 Ų | 72.6 | 43% | 0.426 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -51.1 | 178.3 | -61.1 | -60.2 | 0 | 0 | 0 | 111.3 | L199 Q202 | L199-I205 HydrophobicContact CD1-CD1 4.12Å; L199-I205 HydrophobicContact CD1-CG1 4.14Å; L199-I205 HydrophobicContact CG-CG2 4.35Å; L199-I205 WeakPolarHBondContact O-CB 3.37Å; L199-I205 WeakPolarHBondContact O-CG1 3.49Å; L199-I205 WeakPolarHBondContact O-CG2 3.37Å; Q202-I205 HydrophobicContact CB-CG1 3.74Å; Q202-I205 PolarHBondContact O-N 2.82Å |
| 206 | C | 75.7 | Confident | 78.9 | Confident | 28 Ų | 28 | 70.7 Ų | 70.7 | 19% | 0.189 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -120.1 | 86.3 | 173.2 | -77.6 | 0 | 0 | 0 | 0 | 109.8 | L200 T208 A212 | L200-C206 VanDerWaalsContact CD2-SG 3.57Å; C206-T208 PolarHBondContact O-N 3.18Å; C206-A212 HydrophobicContact CB-CB 3.89Å |
| 207 | P | 66.9 | Low | 79.2 | Confident | 95 Ų | 95 | 75.3 Ų | 75.3 | 62% | 0.617 | 42% | 0.422 | S | S | * | . | trans | -66.9 | -11.3 | -168.1 | 25.9 | -35.6 | 0 | 0 | 0 | 114.6 | ||||
| 208 | T | 74.9 | Confident | 79.3 | Confident | 65 Ų | 65 | 78.7 Ų | 78.7 | 40% | 0.399 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -132.8 | 141 | -179.6 | 63.7 | 0 | 0 | 0 | 0 | 110 | C206 A210 K211 A212 | C206-T208 PolarHBondContact O-N 3.18Å; T208-A210 PolarHBondContact O-N 3Å; T208-K211 PolarHBondContact O-N 3.26Å; T208-K211 VanDerWaalsContact O-N 3.07Å; T208-K211 WeakPolarHBondContact OG1-CB 3.02Å; T208-K211 VanDerWaalsContact OG1-CG 3.26Å; T208-K211 WeakPolarHBondContact OG1-CG 3.31Å; T208-K211 PolarHBondContact OG1-N 2.82Å; T208-A212 PolarHBondContact O-N 3.47Å; T208-A212 VanDerWaalsContact O-N 3.09Å |
| 209 | S | 76.9 | Confident | 79.5 | Confident | 95 Ų | 95 | 76.5 Ų | 76.5 | 66% | 0.664 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -55.7 | -34.5 | 177.4 | 59.3 | 0 | 0 | 0 | 0 | 113.5 | A212 K213 | S209-A212 PolarHBondContact O-N 2.9Å; S209-K213 WeakPolarHBondContact O-CG 2.93Å; S209-K213 PolarHBondContact O-N 3.49Å |
| 210 | A | 80.5 | Confident | 79.7 | Confident | 64 Ų | 64 | 73.9 Ų | 73.9 | 53% | 0.529 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.8 | -41 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | T208 T214 | T208-A210 PolarHBondContact O-N 3Å; A210-T214 PolarHBondContact O-N 3.41Å; A210-T214 VanDerWaalsContact O-N 3.12Å; A210-T214 PolarHBondContact O-OG1 3.48Å |
| 211 | K | 78 | Confident | 79.8 | Confident | 124 Ų | 124 | 79.3 Ų | 79.3 | 54% | 0.539 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -67.2 | -45.3 | 174.8 | -73.3 | 179.4 | -179.4 | -178.8 | 0 | 111 | T208 K213 T214 V215 | T208-K211 PolarHBondContact O-N 3.26Å; T208-K211 VanDerWaalsContact O-N 3.07Å; T208-K211 WeakPolarHBondContact OG1-CB 3.02Å; T208-K211 VanDerWaalsContact OG1-CG 3.26Å; T208-K211 WeakPolarHBondContact OG1-CG 3.31Å; T208-K211 PolarHBondContact OG1-N 2.82Å; K211-K213 PolarHBondContact O-N 2.76Å; K211-T214 WeakPolarHBondContact O-CB 3.21Å; K211-T214 PolarHBondContact O-N 3.11Å; K211-V215 WeakPolarHBondContact O-CG2 3.33Å; K211-V215 PolarHBondContact O-N 3.1Å |
| 212 | A | 79.8 | Confident | 79.8 | Confident | 12 Ų | 12 | 81.7 Ų | 81.7 | 10% | 0.099 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -53.3 | -51.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | C206 T208 S209 T214 V215 E216 | C206-A212 HydrophobicContact CB-CB 3.89Å; T208-A212 PolarHBondContact O-N 3.47Å; T208-A212 VanDerWaalsContact O-N 3.09Å; S209-A212 PolarHBondContact O-N 2.9Å; A212-T214 VanDerWaalsContact C-N 3.26Å; A212-T214 PolarHBondContact O-N 3.43Å; A212-V215 PolarHBondContact O-N 3.43Å; A212-V215 VanDerWaalsContact O-N 3.09Å; A212-E216 WeakPolarHBondContact O-CG 3.35Å; A212-E216 PolarHBondContact O-N 2.79Å |
| 213 | K | 81.6 | Confident | 79.7 | Confident | 127 Ų | 127 | 77.9 Ų | 77.9 | 55% | 0.552 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -59 | -34 | 176.3 | -73.8 | -179.2 | 178.4 | -174.7 | 0 | 113.9 | S209 K211 K217 | S209-K213 WeakPolarHBondContact O-CG 2.93Å; S209-K213 PolarHBondContact O-N 3.49Å; K211-K213 PolarHBondContact O-N 2.76Å; K213-K217 WeakPolarHBondContact O-CB 3.05Å; K213-K217 VanDerWaalsContact O-CG 3.27Å; K213-K217 WeakPolarHBondContact O-CG 3.37Å; K213-K217 PolarHBondContact O-N 3.16Å; K213-K217 VanDerWaalsContact O-N 3.1Å |
| 214 | T | 83.9 | Confident | 79.7 | Confident | 97 Ų | 97 | 76.3 Ų | 76.3 | 60% | 0.595 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -69 | -42.7 | 177.4 | -58.3 | 0 | 0 | 0 | 0 | 110.8 | A210 K211 A212 C218 | A210-T214 PolarHBondContact O-N 3.41Å; A210-T214 VanDerWaalsContact O-N 3.12Å; A210-T214 PolarHBondContact O-OG1 3.48Å; K211-T214 WeakPolarHBondContact O-CB 3.21Å; K211-T214 PolarHBondContact O-N 3.11Å; A212-T214 VanDerWaalsContact C-N 3.26Å; A212-T214 PolarHBondContact O-N 3.43Å; T214-C218 PolarHBondContact O-N 3.23Å; T214-C218 VanDerWaalsContact O-N 3.13Å |
| 215 | V | 84.9 | Confident | 79.5 | Confident | 54 Ų | 54 | 80.1 Ų | 80.1 | 33% | 0.327 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -69.3 | -42.5 | 177.5 | -174.4 | 0 | 0 | 0 | 0 | 111 | L200 K211 A212 K217 C218 L219 | L200-V215 HydrophobicContact CD1-CG1 4.17Å; L200-V215 HydrophobicContact CD2-CB 3.89Å; L200-V215 HydrophobicContact CD2-CG1 3.54Å; L200-V215 HydrophobicContact CG-CG1 4.45Å; K211-V215 WeakPolarHBondContact O-CG2 3.33Å; K211-V215 PolarHBondContact O-N 3.1Å; A212-V215 PolarHBondContact O-N 3.43Å; A212-V215 VanDerWaalsContact O-N 3.09Å; V215-K217 PolarHBondContact O-N 2.98Å; V215-C218 WeakPolarHBondContact O-CA 3.45Å; V215-C218 WeakPolarHBondContact O-CB 3.15Å; V215-C218 PolarHBondContact O-N 2.99Å; V215-L219 HydrophobicContact CG1-CD1 4.19Å; V215-L219 HydrophobicContact CG1-CG 4.21Å; V215-L219 WeakPolarHBondContact O-CG 3.25Å; V215-L219 PolarHBondContact O-N 2.99Å |
| 216 | E | 84.8 | Confident | 79.1 | Confident | 30 Ų | 30 | 82.5 Ų | 82.5 | 14% | 0.14 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -55.8 | -46.6 | 174.5 | -73.6 | 168.5 | -177.8 | 0 | 0 | 112.4 | L200 R201 A212 C218 L219 T220 F231 L235 | L200-E216 HydrophobicContact CD1-CG 4.26Å; R201-E216 IonicContact CZ-OE1 3.63Å; R201-E216 VanDerWaalsContact CZ-OE1 3.27Å; R201-E216 IonicContact NH1-OE1 3.29Å; R201-E216 PolarHBondContact NH1-OE1 2.7Å; R201-E216 IonicContact NH2-OE1 3.61Å; R201-E216 PolarHBondContact NH2-OE1 2.99Å; A212-E216 WeakPolarHBondContact O-CG 3.35Å; A212-E216 PolarHBondContact O-N 2.79Å; E216-C218 VanDerWaalsContact C-N 3.3Å; E216-C218 PolarHBondContact O-N 2.79Å; E216-L219 PolarHBondContact O-N 3.45Å; E216-T220 VanDerWaalsContact O-CB 3.31Å; E216-T220 WeakPolarHBondContact O-CB 3.47Å; E216-T220 PolarHBondContact O-N 2.89Å; E216-T220 PolarHBondContact O-OG1 3.09Å; E216-F231 HydrophobicContact CB-CE1 4.17Å; E216-F231 HydrophobicContact CG-CE1 4.13Å; E216-L235 HydrophobicContact CB-CD1 4.34Å; E216-L235 HydrophobicContact CG-CD2 4.36Å |
| 217 | K | 85.7 | Confident | 78.2 | Confident | 159 Ų | 159 | 86.4 Ų | 86.4 | 69% | 0.691 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -60.9 | -39.3 | 175.2 | -76.4 | 175.9 | -178.1 | -177.1 | 0 | 112.1 | K213 V215 K221 | K213-K217 WeakPolarHBondContact O-CB 3.05Å; K213-K217 VanDerWaalsContact O-CG 3.27Å; K213-K217 WeakPolarHBondContact O-CG 3.37Å; K213-K217 PolarHBondContact O-N 3.16Å; K213-K217 VanDerWaalsContact O-N 3.1Å; V215-K217 PolarHBondContact O-N 2.98Å; K217-K221 WeakPolarHBondContact O-CB 3.47Å; K217-K221 PolarHBondContact O-N 3.22Å |
| 218 | C | 85.3 | Confident | 78.1 | Confident | 71 Ų | 71 | 88.3 Ų | 88.3 | 48% | 0.48 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65 | -49.1 | 177.2 | -173.5 | 0 | 0 | 0 | 0 | 111.3 | T214 V215 E216 K221 K222 | T214-C218 PolarHBondContact O-N 3.23Å; T214-C218 VanDerWaalsContact O-N 3.13Å; V215-C218 WeakPolarHBondContact O-CA 3.45Å; V215-C218 WeakPolarHBondContact O-CB 3.15Å; V215-C218 PolarHBondContact O-N 2.99Å; E216-C218 VanDerWaalsContact C-N 3.3Å; E216-C218 PolarHBondContact O-N 2.79Å; C218-K221 PolarHBondContact O-N 3.17Å; C218-K222 WeakPolarHBondContact O-CG 3.31Å; C218-K222 PolarHBondContact O-N 2.97Å |
| 219 | L | 84.5 | Confident | 78 | Confident | 29 Ų | 29 | 86.3 Ų | 86.3 | 15% | 0.152 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -62.2 | -49.5 | 178.7 | -69 | -179.3 | 0 | 0 | 0 | 111.1 | L196 L200 V215 E216 K221 K222 F223 F231 | L196-L219 HydrophobicContact CB-CD1 4.11Å; L196-L219 HydrophobicContact CD1-CD2 4.07Å; L200-L219 HydrophobicContact CD1-CD1 3.51Å; L200-L219 HydrophobicContact CG-CD1 4.46Å; V215-L219 HydrophobicContact CG1-CD1 4.19Å; V215-L219 HydrophobicContact CG1-CG 4.21Å; V215-L219 WeakPolarHBondContact O-CG 3.25Å; V215-L219 PolarHBondContact O-N 2.99Å; E216-L219 PolarHBondContact O-N 3.45Å; L219-K221 VanDerWaalsContact C-N 3.34Å; L219-K221 PolarHBondContact O-N 3.23Å; L219-K222 PolarHBondContact O-N 3.29Å; L219-F223 WeakPolarHBondContact O-CD2 2.91Å; L219-F223 PolarHBondContact O-N 2.97Å; L219-F231 HydrophobicContact CB-CB 4.49Å; L219-F231 HydrophobicContact CB-CD1 3.67Å; L219-F231 HydrophobicContact CB-CD2 4.02Å; L219-F231 HydrophobicContact CB-CE1 3.88Å; L219-F231 HydrophobicContact CB-CE2 4.22Å; L219-F231 HydrophobicContact CB-CG 3.76Å; L219-F231 HydrophobicContact CB-CZ 4.18Å; L219-F231 HydrophobicContact CD1-CD2 3.98Å; L219-F231 HydrophobicContact CD1-CE1 4.06Å; L219-F231 HydrophobicContact CD1-CE2 3.45Å; L219-F231 VanDerWaalsContact CD1-CE2 3.45Å; L219-F231 HydrophobicContact CD1-CG 4.5Å; L219-F231 HydrophobicContact CD1-CZ 3.53Å; L219-F231 HydrophobicContact CG-CE2 4.49Å |
| 220 | T | 82.8 | Confident | 77.9 | Confident | 23 Ų | 23 | 81.9 Ų | 81.9 | 14% | 0.141 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -49.6 | -54.6 | 174 | -59.7 | 0 | 0 | 0 | 0 | 111 | E216 K222 F223 M224 R232 | E216-T220 VanDerWaalsContact O-CB 3.31Å; E216-T220 WeakPolarHBondContact O-CB 3.47Å; E216-T220 PolarHBondContact O-N 2.89Å; E216-T220 PolarHBondContact O-OG1 3.09Å; T220-K222 VanDerWaalsContact C-N 3.26Å; T220-K222 PolarHBondContact O-N 2.69Å; T220-F223 PolarHBondContact O-N 2.9Å; T220-M224 HydrophobicContact CG2-CG 4.33Å; T220-M224 HydrophobicContact CG2-SD 4.31Å; T220-M224 WeakPolarHBondContact O-CB 3.41Å; T220-M224 VanDerWaalsContact O-CG 3.28Å; T220-M224 WeakPolarHBondContact O-CG 3.14Å; T220-M224 PolarHBondContact O-N 2.86Å; T220-R232 HydrophobicContact CG2-CB 3.93Å |
| 221 | K | 83.6 | Confident | 77.9 | Confident | 132 Ų | 132 | 78.8 Ų | 78.8 | 57% | 0.574 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -60.2 | -33.7 | 179.5 | -176.5 | 176.5 | -178.5 | 176.2 | 0 | 113.2 | K217 C218 L219 K225 | K217-K221 WeakPolarHBondContact O-CB 3.47Å; K217-K221 PolarHBondContact O-N 3.22Å; C218-K221 PolarHBondContact O-N 3.17Å; L219-K221 VanDerWaalsContact C-N 3.34Å; L219-K221 PolarHBondContact O-N 3.23Å; K221-K225 WeakPolarHBondContact O-CG 3.38Å; K221-K225 PolarHBondContact O-N 3.02Å |
| 222 | K | 79.4 | Confident | 78 | Confident | 124 Ų | 124 | 78.5 Ų | 78.5 | 54% | 0.539 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -74.4 | -48.1 | 178.6 | -76.1 | -71 | -175.5 | 171.8 | 0 | 111.7 | C218 L219 T220 M224 K225 E226 | C218-K222 WeakPolarHBondContact O-CG 3.31Å; C218-K222 PolarHBondContact O-N 2.97Å; L219-K222 PolarHBondContact O-N 3.29Å; T220-K222 VanDerWaalsContact C-N 3.26Å; T220-K222 PolarHBondContact O-N 2.69Å; K222-M224 PolarHBondContact O-N 3.25Å; K222-K225 PolarHBondContact O-N 3.46Å; K222-E226 WeakPolarHBondContact O-CG 3.26Å; K222-E226 PolarHBondContact O-N 2.66Å |
| 223 | F | 75.8 | Confident | 77.9 | Confident | 24 Ų | 24 | 79.4 Ų | 79.4 | 11% | 0.105 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 176.9 | -84.2 | -94.3 | 0 | 0 | 0 | 111.7 | F189 A192 A193 L196 L219 T220 K225 E226 Q227 R228 F231 | F189-F223 HydrophobicContact CB-CD1 4.41Å; F189-F223 HydrophobicContact CB-CE1 4.2Å; F189-F223 HydrophobicContact CD1-CE1 4.31Å; F189-F223 WeakPolarHBondContact O-CE1 3.18Å; A192-F223 HydrophobicContact CB-CZ 4.43Å; A193-F223 HydrophobicContact CB-CD1 4.4Å; A193-F223 HydrophobicContact CB-CE1 3.9Å; A193-F223 HydrophobicContact CB-CZ 4.04Å; L196-F223 HydrophobicContact CD1-CE2 3.69Å; L196-F223 HydrophobicContact CD1-CZ 3.85Å; L219-F223 WeakPolarHBondContact O-CD2 2.91Å; L219-F223 PolarHBondContact O-N 2.97Å; T220-F223 PolarHBondContact O-N 2.9Å; F223-K225 VanDerWaalsContact C-N 3.27Å; F223-K225 PolarHBondContact O-N 2.74Å; F223-E226 PolarHBondContact O-N 2.93Å; F223-Q227 PolarHBondContact O-N 3.33Å; F223-R228 CarbonylContact C-O 3.16Å; F223-F231 HydrophobicContact CB-CB 4.13Å; F223-F231 HydrophobicContact CD2-CB 3.75Å; F223-F231 HydrophobicContact CD2-CG 4.46Å; F223-F231 HydrophobicContact CE2-CB 4.33Å; F223-F231 HydrophobicContact CE2-CD2 4.49Å; F223-F231 HydrophobicContact CG-CB 3.92Å |
| 224 | M | 76.3 | Confident | 77.7 | Confident | 101 Ų | 101 | 73.6 Ų | 73.6 | 50% | 0.498 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -55.6 | -37.9 | 175.8 | -77.9 | -162.1 | 86.9 | 0 | 0 | 114 | T220 K222 D229 | T220-M224 HydrophobicContact CG2-CG 4.33Å; T220-M224 HydrophobicContact CG2-SD 4.31Å; T220-M224 WeakPolarHBondContact O-CB 3.41Å; T220-M224 VanDerWaalsContact O-CG 3.28Å; T220-M224 WeakPolarHBondContact O-CG 3.14Å; T220-M224 PolarHBondContact O-N 2.86Å; K222-M224 PolarHBondContact O-N 3.25Å; M224-D229 HydrophobicContact CE-CB 4.48Å; M224-D229 HydrophobicContact CG-CB 3.83Å; M224-D229 WeakPolarHBondContact CG-OD1 3.42Å |
| 225 | K | 73.9 | Confident | 77.7 | Confident | 146 Ų | 146 | 70.1 Ų | 70.1 | 64% | 0.635 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -72.3 | -31.9 | -177.5 | -82 | -177.1 | 174.4 | -157.9 | 0 | 113.2 | K221 K222 F223 | K221-K225 WeakPolarHBondContact O-CG 3.38Å; K221-K225 PolarHBondContact O-N 3.02Å; K222-K225 PolarHBondContact O-N 3.46Å; F223-K225 VanDerWaalsContact C-N 3.27Å; F223-K225 PolarHBondContact O-N 2.74Å |
| 226 | E | 65.6 | Low | 77.5 | Confident | 132 Ų | 132 | 71.7 Ų | 71.7 | 62% | 0.617 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -88.1 | -56.7 | -167.4 | -64.4 | -60.8 | 148.3 | 0 | 0 | 111.5 | K222 F223 | K222-E226 WeakPolarHBondContact O-CG 3.26Å; K222-E226 PolarHBondContact O-N 2.66Å; F223-E226 PolarHBondContact O-N 2.93Å |
| 227 | Q | 57 | Low | 77.1 | Confident | 110 Ų | 110 | 70.9 Ų | 70.9 | 51% | 0.514 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -151.3 | -23.9 | -169.8 | -61.9 | -166 | 18.5 | 0 | 0 | 116.3 | H186 F189 F223 | H186-Q227 PolarHBondContact CE1-O 3.19Å; F189-Q227 HydrophobicContact CD2-CB 4.42Å; F189-Q227 HydrophobicContact CE2-CB 4.28Å; F189-Q227 HydrophobicContact CE2-CG 4.19Å; F189-Q227 HydrophobicContact CZ-CB 4.49Å; F189-Q227 HydrophobicContact CZ-CG 4.09Å; F223-Q227 PolarHBondContact O-N 3.33Å |
| 228 | R | 64.2 | Low | 76.8 | Confident | 135 Ų | 135 | 64.6 Ų | 64.6 | 51% | 0.509 | 30% | 0.3 | S | S | . | . | trans | 177 | 167.1 | 167 | -104.7 | -174.7 | -156.7 | -146.6 | 3.1 | 110.6 | H186 F223 S230 | H186-R228 WeakPolarHBondContact NE2-CD 3.48Å; H186-R228 PolarHBondContact NE2-NE 2.74Å; F223-R228 CarbonylContact C-O 3.16Å; R228-S230 PolarHBondContact O-N 3.36Å | ||
| 229 | D | 73.1 | Confident | 76.6 | Confident | 24 Ų | 24 | 67 Ų | 67 | 13% | 0.128 | 30% | 0.304 | C | S | . | . | trans | -75.5 | 38.9 | -175.4 | -155 | 1.6 | 0 | 0 | 0 | 114.2 | M224 F231 R232 E233 | M224-D229 HydrophobicContact CE-CB 4.48Å; M224-D229 HydrophobicContact CG-CB 3.83Å; M224-D229 WeakPolarHBondContact CG-OD1 3.42Å; D229-F231 VanDerWaalsContact C-N 3.26Å; D229-F231 PolarHBondContact O-N 2.59Å; D229-F231 VanDerWaalsContact O-N 3.14Å; D229-R232 HydrophobicContact CB-CB 4.38Å; D229-R232 PolarHBondContact O-N 3.1Å; D229-R232 WeakPolarHBondContact OD1-CB 3.37Å; D229-R232 WeakPolarHBondContact OD2-CB 3.43Å; D229-R232 WeakPolarHBondContact OD2-CD 3.43Å; D229-R232 IonicContact OD2-CZ 3.65Å; D229-R232 IonicContact OD2-NE 2.89Å; D229-R232 IonicContact OD2-NH1 2.81Å; D229-R232 PolarHBondContact OD2-NH1 2.8Å; D229-E233 WeakPolarHBondContact O-CG 3.29Å; D229-E233 PolarHBondContact O-N 3.45Å | ||
| 230 | S | 75.7 | Confident | 76.2 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.007 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.7 | -33.5 | -169.6 | -55.3 | 0 | 0 | 0 | 0 | 113.9 | R228 E233 M234 | R228-S230 PolarHBondContact O-N 3.36Å; S230-E233 WeakPolarHBondContact CA-OE2 3.38Å; S230-E233 PolarHBondContact O-N 3.44Å; S230-M234 WeakPolarHBondContact O-CG 3.36Å; S230-M234 PolarHBondContact O-N 3.26Å |
| 231 | F | 79.1 | Confident | 75.9 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71.4 | -38 | 176.7 | -166.3 | -91.2 | 0 | 0 | 0 | 112.4 | A193 L196 H197 L200 E216 L219 F223 D229 M234 L235 | A193-F231 HydrophobicContact CB-CB 4.27Å; A193-F231 HydrophobicContact CB-CD2 4.12Å; L196-F231 HydrophobicContact CB-CE2 4.1Å; H197-F231 HydrophobicContact CB-CE2 3.9Å; H197-F231 HydrophobicContact CB-CZ 4.31Å; L200-F231 HydrophobicContact CD1-CE2 4.32Å; L200-F231 HydrophobicContact CD1-CZ 3.65Å; E216-F231 HydrophobicContact CB-CE1 4.17Å; E216-F231 HydrophobicContact CG-CE1 4.13Å; L219-F231 HydrophobicContact CB-CB 4.49Å; L219-F231 HydrophobicContact CB-CD1 3.67Å; L219-F231 HydrophobicContact CB-CD2 4.02Å; L219-F231 HydrophobicContact CB-CE1 3.88Å; L219-F231 HydrophobicContact CB-CE2 4.22Å; L219-F231 HydrophobicContact CB-CG 3.76Å; L219-F231 HydrophobicContact CB-CZ 4.18Å; L219-F231 HydrophobicContact CD1-CD2 3.98Å; L219-F231 HydrophobicContact CD1-CE1 4.06Å; L219-F231 HydrophobicContact CD1-CE2 3.45Å; L219-F231 VanDerWaalsContact CD1-CE2 3.45Å; L219-F231 HydrophobicContact CD1-CG 4.5Å; L219-F231 HydrophobicContact CD1-CZ 3.53Å; L219-F231 HydrophobicContact CG-CE2 4.49Å; F223-F231 HydrophobicContact CB-CB 4.13Å; F223-F231 HydrophobicContact CD2-CB 3.75Å; F223-F231 HydrophobicContact CD2-CG 4.46Å; F223-F231 HydrophobicContact CE2-CB 4.33Å; F223-F231 HydrophobicContact CE2-CD2 4.49Å; F223-F231 HydrophobicContact CG-CB 3.92Å; D229-F231 VanDerWaalsContact C-N 3.26Å; D229-F231 PolarHBondContact O-N 2.59Å; D229-F231 VanDerWaalsContact O-N 3.14Å; F231-M234 WeakPolarHBondContact O-CB 3.44Å; F231-M234 PolarHBondContact O-N 2.93Å; F231-L235 HydrophobicContact CD1-CD1 4.11Å; F231-L235 HydrophobicContact CD1-CG 4.4Å; F231-L235 HydrophobicContact CE1-CD1 3.9Å; F231-L235 HydrophobicContact CE1-CD2 4.34Å; F231-L235 HydrophobicContact CE1-CG 4.11Å; F231-L235 WeakPolarHBondContact O-CG 3.19Å; F231-L235 PolarHBondContact O-N 3.48Å |
| 232 | R | 81.8 | Confident | 75.6 | Confident | 117 Ų | 117 | 64.1 Ų | 64.1 | 44% | 0.442 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -69.7 | -35.6 | 172.4 | 179.5 | 155.7 | 155.7 | -128.2 | 7.9 | 111.9 | T220 D229 M234 L235 L236 | T220-R232 HydrophobicContact CG2-CB 3.93Å; D229-R232 HydrophobicContact CB-CB 4.38Å; D229-R232 PolarHBondContact O-N 3.1Å; D229-R232 WeakPolarHBondContact OD1-CB 3.37Å; D229-R232 WeakPolarHBondContact OD2-CB 3.43Å; D229-R232 WeakPolarHBondContact OD2-CD 3.43Å; D229-R232 IonicContact OD2-CZ 3.65Å; D229-R232 IonicContact OD2-NE 2.89Å; D229-R232 IonicContact OD2-NH1 2.81Å; D229-R232 PolarHBondContact OD2-NH1 2.8Å; R232-M234 VanDerWaalsContact C-N 3.27Å; R232-M234 PolarHBondContact O-N 3.37Å; R232-L235 WeakPolarHBondContact O-CB 3.4Å; R232-L235 PolarHBondContact O-N 2.96Å; R232-L235 VanDerWaalsContact O-N 3.12Å; R232-L236 HydrophobicContact CG-CD1 4.2Å; R232-L236 HydrophobicContact CG-CG 4.3Å; R232-L236 WeakPolarHBondContact O-CG 3.24Å; R232-L236 PolarHBondContact O-N 2.82Å |
| 233 | E | 76.9 | Confident | 75.3 | Confident | 31 Ų | 31 | 64 Ų | 64 | 15% | 0.145 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.4 | -43.2 | 172.6 | -70.2 | 168.8 | 177.1 | 0 | 0 | 110.6 | D229 S230 L235 L236 L237 | D229-E233 WeakPolarHBondContact O-CG 3.29Å; D229-E233 PolarHBondContact O-N 3.45Å; S230-E233 WeakPolarHBondContact CA-OE2 3.38Å; S230-E233 PolarHBondContact O-N 3.44Å; E233-L235 VanDerWaalsContact C-N 3.34Å; E233-L235 PolarHBondContact O-N 2.9Å; E233-L236 PolarHBondContact O-N 3.5Å; E233-L237 WeakPolarHBondContact O-CB 3.42Å; E233-L237 WeakPolarHBondContact O-CG 3.47Å; E233-L237 PolarHBondContact O-N 2.72Å |
| 234 | M | 78.5 | Confident | 75.1 | Confident | 6 Ų | 6 | 65.1 Ų | 65.1 | 3% | 0.03 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.6 | -39.8 | 173.3 | -68.5 | -61.9 | -65.6 | 0 | 0 | 113 | A193 S230 F231 R232 L237 E238 F328 L332 | A193-M234 HydrophobicContact CB-CG 4Å; S230-M234 WeakPolarHBondContact O-CG 3.36Å; S230-M234 PolarHBondContact O-N 3.26Å; F231-M234 WeakPolarHBondContact O-CB 3.44Å; F231-M234 PolarHBondContact O-N 2.93Å; R232-M234 VanDerWaalsContact C-N 3.27Å; R232-M234 PolarHBondContact O-N 3.37Å; M234-L237 WeakPolarHBondContact O-CB 3.17Å; M234-L237 PolarHBondContact O-N 3Å; M234-L237 HydrophobicContact SD-CD1 4.23Å; M234-E238 PolarHBondContact O-N 2.79Å; M234-F328 HydrophobicContact CE-CE1 4.29Å; M234-L332 HydrophobicContact CE-CD1 3.3Å; M234-L332 HydrophobicContact CE-CD2 3.35Å; M234-L332 HydrophobicContact CE-CG 3.95Å; M234-L332 HydrophobicContact SD-CD2 4.46Å |
| 235 | L | 82.5 | Confident | 75 | Confident | 24 Ų | 24 | 60.9 Ų | 60.9 | 13% | 0.126 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.8 | -41.4 | 175.7 | -66 | 172.5 | 0 | 0 | 0 | 112.3 | E216 F231 R232 E233 L237 E238 E239 | E216-L235 HydrophobicContact CB-CD1 4.34Å; E216-L235 HydrophobicContact CG-CD2 4.36Å; F231-L235 HydrophobicContact CD1-CD1 4.11Å; F231-L235 HydrophobicContact CD1-CG 4.4Å; F231-L235 HydrophobicContact CE1-CD1 3.9Å; F231-L235 HydrophobicContact CE1-CD2 4.34Å; F231-L235 HydrophobicContact CE1-CG 4.11Å; F231-L235 WeakPolarHBondContact O-CG 3.19Å; F231-L235 PolarHBondContact O-N 3.48Å; R232-L235 WeakPolarHBondContact O-CB 3.4Å; R232-L235 PolarHBondContact O-N 2.96Å; R232-L235 VanDerWaalsContact O-N 3.12Å; E233-L235 VanDerWaalsContact C-N 3.34Å; E233-L235 PolarHBondContact O-N 2.9Å; L235-L237 VanDerWaalsContact C-N 3.28Å; L235-L237 PolarHBondContact O-N 3.26Å; L235-E238 WeakPolarHBondContact O-CB 3.39Å; L235-E238 PolarHBondContact O-N 2.82Å; L235-E239 WeakPolarHBondContact O-CG 3.45Å; L235-E239 PolarHBondContact O-N 2.79Å |
| 236 | L | 80.7 | Confident | 75 | Confident | 87 Ų | 87 | 59.2 Ų | 59.2 | 46% | 0.455 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.1 | -35.6 | 176.2 | -70.6 | 172.8 | 0 | 0 | 0 | 111.7 | R232 E233 E239 A240 | R232-L236 HydrophobicContact CG-CD1 4.2Å; R232-L236 HydrophobicContact CG-CG 4.3Å; R232-L236 WeakPolarHBondContact O-CG 3.24Å; R232-L236 PolarHBondContact O-N 2.82Å; E233-L236 PolarHBondContact O-N 3.5Å; L236-E239 PolarHBondContact O-N 2.86Å; L236-A240 VanDerWaalsContact O-CB 3.28Å; L236-A240 WeakPolarHBondContact O-CB 3.27Å; L236-A240 PolarHBondContact O-N 3.43Å |
| 237 | L | 77.2 | Confident | 75 | Confident | 12 Ų | 12 | 57 Ų | 57 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 172.6 | -83.3 | 170.6 | 0 | 0 | 0 | 111.9 | F175 T178 V179 E233 M234 L235 A240 F241 F328 | F175-L237 HydrophobicContact CD2-CD2 3.96Å; F175-L237 HydrophobicContact CE2-CB 4.13Å; F175-L237 HydrophobicContact CE2-CD1 4.34Å; F175-L237 HydrophobicContact CE2-CD2 3.89Å; F175-L237 HydrophobicContact CE2-CG 4.37Å; T178-L237 HydrophobicContact CG2-CD2 3.28Å; T178-L237 HydrophobicContact CG2-CG 4.36Å; V179-L237 HydrophobicContact CG2-CD1 3.86Å; V179-L237 HydrophobicContact CG2-CD2 4.37Å; E233-L237 WeakPolarHBondContact O-CB 3.42Å; E233-L237 WeakPolarHBondContact O-CG 3.47Å; E233-L237 PolarHBondContact O-N 2.72Å; M234-L237 WeakPolarHBondContact O-CB 3.17Å; M234-L237 PolarHBondContact O-N 3Å; M234-L237 HydrophobicContact SD-CD1 4.23Å; L235-L237 VanDerWaalsContact C-N 3.28Å; L235-L237 PolarHBondContact O-N 3.26Å; L237-A240 PolarHBondContact O-N 3.35Å; L237-F241 VanDerWaalsContact O-CB 3.3Å; L237-F241 WeakPolarHBondContact O-CB 3.27Å; L237-F241 PolarHBondContact O-N 3.43Å; L237-F328 HydrophobicContact CB-CE2 4.14Å; L237-F328 HydrophobicContact CB-CZ 3.85Å |
| 238 | E | 79.3 | Confident | 75.5 | Confident | 28 Ų | 28 | 53.8 Ų | 53.8 | 13% | 0.131 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.8 | -48.5 | 173.7 | -176.5 | 178.6 | -149.8 | 0 | 0 | 111 | H197 R201 M234 L235 A240 F241 D242 F328 | H197-E238 IonicContact CD2-OE2 3.74Å; H197-E238 IonicContact CE1-OE1 3.5Å; H197-E238 IonicContact CE1-OE2 2.59Å; H197-E238 VanDerWaalsContact NE2-CD 3.3Å; H197-E238 IonicContact NE2-OE1 2.82Å; H197-E238 IonicContact NE2-OE2 3.1Å; H197-E238 PolarHBondContact NE2-OE2 2.78Å; R201-E238 IonicContact CZ-OE1 3.51Å; R201-E238 IonicContact CZ-OE2 3.75Å; R201-E238 IonicContact NE-OE1 2.96Å; R201-E238 PolarHBondContact NE-OE1 2.97Å; R201-E238 IonicContact NE-OE2 2.66Å; R201-E238 PolarHBondContact NE-OE2 2.73Å; R201-E238 IonicContact NH2-OE1 2.79Å; R201-E238 IonicContact NH2-OE2 3.27Å; R201-E238 PolarHBondContact NH2-OE2 3.27Å; M234-E238 PolarHBondContact O-N 2.79Å; L235-E238 WeakPolarHBondContact O-CB 3.39Å; L235-E238 PolarHBondContact O-N 2.82Å; E238-A240 PolarHBondContact O-N 2.96Å; E238-F241 WeakPolarHBondContact O-CB 3.18Å; E238-F241 PolarHBondContact O-N 3.47Å; E238-D242 PolarHBondContact O-N 3.27Å; E238-F328 VanDerWaalsContact CA-CE2 3.48Å; E238-F328 HydrophobicContact CB-CD1 3.79Å; E238-F328 HydrophobicContact CB-CD2 4.11Å; E238-F328 HydrophobicContact CB-CE1 3.81Å; E238-F328 HydrophobicContact CB-CE2 4.12Å; E238-F328 HydrophobicContact CB-CG 3.92Å; E238-F328 HydrophobicContact CB-CZ 3.98Å; E238-F328 HydrophobicContact CG-CB 4.03Å; E238-F328 HydrophobicContact CG-CD1 3.89Å; E238-F328 HydrophobicContact CG-CD2 4.38Å; E238-F328 HydrophobicContact CG-CE1 4.42Å; E238-F328 HydrophobicContact CG-CG 3.85Å |
| 239 | E | 81.6 | Confident | 75.8 | Confident | 121 Ų | 121 | 49.8 Ų | 49.8 | 57% | 0.565 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -62.1 | -42.3 | 177.6 | -72.3 | 177.2 | -177.7 | 0 | 0 | 112.9 | L235 L236 F241 D242 M243 | L235-E239 WeakPolarHBondContact O-CG 3.45Å; L235-E239 PolarHBondContact O-N 2.79Å; L236-E239 PolarHBondContact O-N 2.86Å; E239-F241 VanDerWaalsContact C-N 3.33Å; E239-D242 PolarHBondContact O-N 2.99Å; E239-M243 WeakPolarHBondContact O-CB 3.47Å; E239-M243 PolarHBondContact O-N 2.93Å |
| 240 | A | 75.5 | Confident | 75.7 | Confident | 33 Ų | 33 | 51.4 Ų | 51.4 | 27% | 0.273 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.2 | -39.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L236 L237 E238 M243 L244 | L236-A240 VanDerWaalsContact O-CB 3.28Å; L236-A240 WeakPolarHBondContact O-CB 3.27Å; L236-A240 PolarHBondContact O-N 3.43Å; L237-A240 PolarHBondContact O-N 3.35Å; E238-A240 PolarHBondContact O-N 2.96Å; A240-M243 PolarHBondContact O-N 3.47Å; A240-L244 WeakPolarHBondContact O-CB 3.26Å; A240-L244 VanDerWaalsContact O-CG 3.23Å; A240-L244 WeakPolarHBondContact O-CG 3.43Å; A240-L244 PolarHBondContact O-N 2.99Å |
| 241 | F | 75.9 | Confident | 75.3 | Confident | 10 Ų | 10 | 55.1 Ų | 55.1 | 4% | 0.044 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.2 | -49.1 | 175.2 | 178.4 | -101 | 0 | 0 | 0 | 111.5 | L237 E238 E239 M243 L244 C245 M323 F328 L331 | L237-F241 VanDerWaalsContact O-CB 3.3Å; L237-F241 WeakPolarHBondContact O-CB 3.27Å; L237-F241 PolarHBondContact O-N 3.43Å; E238-F241 WeakPolarHBondContact O-CB 3.18Å; E238-F241 PolarHBondContact O-N 3.47Å; E239-F241 VanDerWaalsContact C-N 3.33Å; F241-M243 VanDerWaalsContact C-N 3.33Å; F241-M243 PolarHBondContact O-N 2.78Å; F241-L244 PolarHBondContact O-N 3.38Å; F241-C245 PolarHBondContact O-N 3.07Å; F241-M323 HydrophobicContact CD2-CE 4.07Å; F241-M323 HydrophobicContact CE2-CB 4.1Å; F241-M323 HydrophobicContact CE2-CE 3.43Å; F241-M323 VanDerWaalsContact CE2-CE 3.43Å; F241-M323 HydrophobicContact CE2-CG 4.3Å; F241-M323 HydrophobicContact CE2-SD 3.88Å; F241-M323 HydrophobicContact CZ-CB 3.98Å; F241-M323 HydrophobicContact CZ-CE 4.22Å; F241-M323 HydrophobicContact CZ-CG 4.42Å; F241-F328 HydrophobicContact CB-CD2 3.79Å; F241-F328 HydrophobicContact CB-CE2 4.15Å; F241-F328 HydrophobicContact CD1-CB 4.17Å; F241-F328 AromaticContact CD1-CD2 3.96Å; F241-F328 HydrophobicContact CD1-CD2 3.96Å; F241-F328 AromaticContact CG-CD2 3.93Å; F241-F328 HydrophobicContact CG-CD2 3.93Å; F241-L331 HydrophobicContact CD2-CD1 4.25Å; F241-L331 HydrophobicContact CE1-CD1 3.83Å; F241-L331 HydrophobicContact CE2-CD1 3.58Å; F241-L331 HydrophobicContact CZ-CD1 3.31Å |
| 242 | D | 78.4 | Confident | 74.7 | Confident | 81 Ų | 81 | 57.5 Ų | 57.5 | 43% | 0.433 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.8 | -43 | 176.6 | -78.2 | -10.6 | 0 | 0 | 0 | 111.9 | E238 E239 C245 N246 | E238-D242 PolarHBondContact O-N 3.27Å; E239-D242 PolarHBondContact O-N 2.99Å; D242-C245 PolarHBondContact O-N 3.39Å; D242-N246 WeakPolarHBondContact O-CB 3.49Å; D242-N246 VanDerWaalsContact O-CG 3.3Å; D242-N246 PolarHBondContact O-N 3.25Å; D242-N246 PolarHBondContact O-ND2 3.46Å |
| 243 | M | 72.3 | Confident | 74.3 | Confident | 120 Ų | 120 | 56.8 Ų | 56.8 | 59% | 0.591 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -61.3 | -48.1 | 176.6 | -175 | -175.9 | -61.2 | 0 | 0 | 111.3 | E239 A240 F241 C245 N246 I247 | E239-M243 WeakPolarHBondContact O-CB 3.47Å; E239-M243 PolarHBondContact O-N 2.93Å; A240-M243 PolarHBondContact O-N 3.47Å; F241-M243 VanDerWaalsContact C-N 3.33Å; F241-M243 PolarHBondContact O-N 2.78Å; M243-C245 VanDerWaalsContact C-N 3.32Å; M243-C245 PolarHBondContact O-N 3.14Å; M243-N246 PolarHBondContact O-N 3.19Å; M243-I247 HydrophobicContact CG-CD1 3.76Å; M243-I247 HydrophobicContact CG-CG1 4.37Å; M243-I247 WeakPolarHBondContact O-CB 3.35Å; M243-I247 VanDerWaalsContact O-CG1 3.27Å; M243-I247 WeakPolarHBondContact O-CG1 3.26Å; M243-I247 PolarHBondContact O-N 3.26Å; M243-I247 HydrophobicContact SD-CD1 4.37Å |
| 244 | L | 71.6 | Confident | 74.3 | Confident | 49 Ų | 49 | 63.1 Ų | 63.1 | 26% | 0.257 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 178.3 | -75 | 170.5 | 0 | 0 | 0 | 111.3 | Y174 A240 F241 I247 S248 | Y174-L244 HydrophobicContact CD1-CD1 3.66Å; Y174-L244 HydrophobicContact CE1-CD1 3.97Å; Y174-L244 HydrophobicContact CG-CD1 4.34Å; A240-L244 WeakPolarHBondContact O-CB 3.26Å; A240-L244 VanDerWaalsContact O-CG 3.23Å; A240-L244 WeakPolarHBondContact O-CG 3.43Å; A240-L244 PolarHBondContact O-N 2.99Å; F241-L244 PolarHBondContact O-N 3.38Å; L244-I247 PolarHBondContact O-N 2.96Å; L244-S248 VanDerWaalsContact O-CB 3.29Å; L244-S248 WeakPolarHBondContact O-CB 3.38Å; L244-S248 PolarHBondContact O-N 3.48Å; L244-S248 PolarHBondContact O-OG 3.17Å; L244-S248 VanDerWaalsContact O-OG 3.08Å |
| 245 | C | 74.2 | Confident | 74.1 | Confident | 12 Ų | 12 | 64 Ų | 64 | 8% | 0.081 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.2 | -40.1 | 176.5 | -85 | 0 | 0 | 0 | 0 | 113.1 | F241 D242 M243 S248 A249 C324 | F241-C245 PolarHBondContact O-N 3.07Å; D242-C245 PolarHBondContact O-N 3.39Å; M243-C245 VanDerWaalsContact C-N 3.32Å; M243-C245 PolarHBondContact O-N 3.14Å; C245-S248 PolarHBondContact O-N 2.82Å; C245-A249 WeakPolarHBondContact O-CB 3.36Å; C245-A249 PolarHBondContact O-N 2.77Å; C245-C324 WeakPolarHBondContact CA-SG 3.18Å; C245-C324 HydrophobicContact CB-CB 3.69Å; C245-C324 WeakPolarHBondContact CB-SG 3.39Å; C245-C324 WeakPolarHBondContact SG-CA 3.39Å; C245-C324 WeakPolarHBondContact SG-CB 3.37Å; C245-C324 CovalentContact SG-SG 2.05Å; C245-C324 PolarHBondContact SG-SG 2.99Å |
| 246 | N | 73.8 | Confident | 74.2 | Confident | 110 Ų | 110 | 66.4 Ų | 66.4 | 59% | 0.588 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -69.4 | -40.5 | 176.7 | -75.9 | -42.3 | 0 | 0 | 0 | 112.8 | D242 M243 A249 S250 | D242-N246 WeakPolarHBondContact O-CB 3.49Å; D242-N246 VanDerWaalsContact O-CG 3.3Å; D242-N246 PolarHBondContact O-N 3.25Å; D242-N246 PolarHBondContact O-ND2 3.46Å; M243-N246 PolarHBondContact O-N 3.19Å; N246-A249 PolarHBondContact O-N 2.94Å; N246-S250 WeakPolarHBondContact O-CB 3.33Å; N246-S250 PolarHBondContact O-N 3.29Å; N246-S250 PolarHBondContact O-OG 3.13Å |
| 247 | I | 65.8 | Low | 74.3 | Confident | 86 Ų | 86 | 68.6 Ų | 68.6 | 44% | 0.441 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.4 | -50.4 | 173.4 | -69.8 | 168.9 | 0 | 0 | 0 | 109.1 | M243 L244 A249 S250 C251 | M243-I247 HydrophobicContact CG-CD1 3.76Å; M243-I247 HydrophobicContact CG-CG1 4.37Å; M243-I247 WeakPolarHBondContact O-CB 3.35Å; M243-I247 VanDerWaalsContact O-CG1 3.27Å; M243-I247 WeakPolarHBondContact O-CG1 3.26Å; M243-I247 PolarHBondContact O-N 3.26Å; M243-I247 HydrophobicContact SD-CD1 4.37Å; L244-I247 PolarHBondContact O-N 2.96Å; I247-A249 VanDerWaalsContact C-N 3.35Å; I247-A249 PolarHBondContact O-N 3.12Å; I247-S250 PolarHBondContact O-N 3.3Å; I247-S250 PolarHBondContact O-OG 2.86Å; I247-S250 VanDerWaalsContact O-OG 3.09Å; I247-C251 VanDerWaalsContact O-CB 3.31Å; I247-C251 WeakPolarHBondContact O-CB 3.38Å; I247-C251 PolarHBondContact O-N 2.98Å; I247-C251 PolarHBondContact O-SG 2.9Å; I247-C251 VanDerWaalsContact O-SG 3.41Å |
| 248 | S | 67.4 | Low | 74.6 | Confident | 43 Ų | 43 | 75.2 Ų | 75.2 | 30% | 0.301 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -56.2 | -48 | 177.2 | -72.3 | 0 | 0 | 0 | 0 | 111.5 | H171 L244 C245 F252 | H171-S248 PolarHBondContact CE1-OG 3.38Å; H171-S248 PolarHBondContact NE2-OG 3.34Å; L244-S248 VanDerWaalsContact O-CB 3.29Å; L244-S248 WeakPolarHBondContact O-CB 3.38Å; L244-S248 PolarHBondContact O-N 3.48Å; L244-S248 PolarHBondContact O-OG 3.17Å; L244-S248 VanDerWaalsContact O-OG 3.08Å; C245-S248 PolarHBondContact O-N 2.82Å; S248-F252 WeakPolarHBondContact O-CB 3.42Å; S248-F252 PolarHBondContact O-N 2.84Å |
| 249 | A | 70.3 | Confident | 74.4 | Confident | 51 Ų | 51 | 76.2 Ų | 76.2 | 42% | 0.421 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.6 | -47.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | C245 N246 I247 F252 V253 | C245-A249 WeakPolarHBondContact O-CB 3.36Å; C245-A249 PolarHBondContact O-N 2.77Å; N246-A249 PolarHBondContact O-N 2.94Å; I247-A249 VanDerWaalsContact C-N 3.35Å; I247-A249 PolarHBondContact O-N 3.12Å; A249-F252 PolarHBondContact O-N 3.48Å; A249-V253 WeakPolarHBondContact O-CB 3.45Å; A249-V253 VanDerWaalsContact O-CG2 3.23Å; A249-V253 WeakPolarHBondContact O-CG2 3.35Å; A249-V253 PolarHBondContact O-N 3.42Å |
| 250 | S | 70.9 | Confident | 73.9 | Confident | 58 Ų | 58 | 74 Ų | 74 | 41% | 0.406 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67 | -45.3 | -177.4 | 59.3 | 0 | 0 | 0 | 0 | 112.7 | N246 I247 Q254 | N246-S250 WeakPolarHBondContact O-CB 3.33Å; N246-S250 PolarHBondContact O-N 3.29Å; N246-S250 PolarHBondContact O-OG 3.13Å; I247-S250 PolarHBondContact O-N 3.3Å; I247-S250 PolarHBondContact O-OG 2.86Å; I247-S250 VanDerWaalsContact O-OG 3.09Å; S250-Q254 WeakPolarHBondContact O-CG 3.39Å; S250-Q254 PolarHBondContact O-N 3.15Å |
| 251 | C | 66.9 | Low | 74 | Confident | 79 Ų | 79 | 77.7 Ų | 77.7 | 53% | 0.534 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 174.3 | -68.3 | 0 | 0 | 0 | 0 | 111.4 | I247 V253 Q254 S255 | I247-C251 VanDerWaalsContact O-CB 3.31Å; I247-C251 WeakPolarHBondContact O-CB 3.38Å; I247-C251 PolarHBondContact O-N 2.98Å; I247-C251 PolarHBondContact O-SG 2.9Å; I247-C251 VanDerWaalsContact O-SG 3.41Å; C251-V253 PolarHBondContact O-N 2.88Å; C251-Q254 PolarHBondContact O-N 3.41Å; C251-S255 PolarHBondContact O-N 3.26Å |
| 252 | F | 66.6 | Low | 74 | Confident | 49 Ų | 49 | 82.7 Ų | 82.7 | 22% | 0.215 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -62.8 | -43 | 179.1 | -177.3 | -98.6 | 0 | 0 | 0 | 112.2 | S248 A249 Q254 S255 R260 I263 K264 | S248-F252 WeakPolarHBondContact O-CB 3.42Å; S248-F252 PolarHBondContact O-N 2.84Å; A249-F252 PolarHBondContact O-N 3.48Å; F252-Q254 VanDerWaalsContact C-N 3.32Å; F252-Q254 PolarHBondContact O-N 2.72Å; F252-S255 PolarHBondContact O-N 2.96Å; F252-S255 PolarHBondContact O-OG 2.04Å; F252-R260 HydrophobicContact CD1-CG 4.3Å; F252-R260 HydrophobicContact CD2-CG 4.33Å; F252-R260 HydrophobicContact CE1-CB 4.08Å; F252-R260 HydrophobicContact CE1-CG 3.89Å; F252-R260 HydrophobicContact CE2-CB 3.86Å; F252-R260 HydrophobicContact CE2-CG 3.94Å; F252-R260 HydrophobicContact CG-CG 4.49Å; F252-R260 HydrophobicContact CZ-CB 3.46Å; F252-R260 VanDerWaalsContact CZ-CB 3.46Å; F252-R260 HydrophobicContact CZ-CG 3.67Å; F252-R260 VanDerWaalsContact O-CD 3.31Å; F252-R260 WeakPolarHBondContact O-CD 3.42Å; F252-R260 WeakPolarHBondContact O-CG 3.42Å; F252-I263 HydrophobicContact CD2-CB 4.4Å; F252-I263 HydrophobicContact CD2-CD1 4.3Å; F252-I263 HydrophobicContact CD2-CG2 3.97Å; F252-I263 HydrophobicContact CE2-CB 3.97Å; F252-I263 HydrophobicContact CE2-CG2 3.82Å; F252-K264 HydrophobicContact CE2-CG 4.1Å; F252-K264 HydrophobicContact CZ-CD 3.81Å; F252-K264 VanDerWaalsContact CZ-CE 3.43Å; F252-K264 HydrophobicContact CZ-CG 3.7Å |
| 253 | V | 73.7 | Confident | 73.7 | Confident | 102 Ų | 102 | 82.8 Ų | 82.8 | 62% | 0.618 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -63.6 | -35.9 | 178.5 | 168.6 | 0 | 0 | 0 | 0 | 112.2 | A249 C251 S255 R260 | A249-V253 WeakPolarHBondContact O-CB 3.45Å; A249-V253 VanDerWaalsContact O-CG2 3.23Å; A249-V253 WeakPolarHBondContact O-CG2 3.35Å; A249-V253 PolarHBondContact O-N 3.42Å; C251-V253 PolarHBondContact O-N 2.88Å; V253-S255 VanDerWaalsContact C-N 3.31Å; V253-S255 PolarHBondContact O-N 2.9Å; V253-R260 PolarHBondContact O-NH1 3.44Å |
| 254 | Q | 77.6 | Confident | 73.6 | Confident | 165 Ų | 165 | 83.5 Ų | 83.5 | 77% | 0.771 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -73.7 | -19.5 | 178.5 | -69.1 | -179.6 | 36.7 | 0 | 0 | 113.9 | S250 C251 F252 | S250-Q254 WeakPolarHBondContact O-CG 3.39Å; S250-Q254 PolarHBondContact O-N 3.15Å; C251-Q254 PolarHBondContact O-N 3.41Å; F252-Q254 VanDerWaalsContact C-N 3.32Å; F252-Q254 PolarHBondContact O-N 2.72Å |
| 255 | S | 74.2 | Confident | 73.9 | Confident | 24 Ų | 24 | 82.9 Ų | 82.9 | 17% | 0.168 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -71.1 | 152.6 | 178 | 72.7 | 0 | 0 | 0 | 0 | 112 | C251 F252 V253 R260 | C251-S255 PolarHBondContact O-N 3.26Å; F252-S255 PolarHBondContact O-N 2.96Å; F252-S255 PolarHBondContact O-OG 2.04Å; V253-S255 VanDerWaalsContact C-N 3.31Å; V253-S255 PolarHBondContact O-N 2.9Å; S255-R260 PolarHBondContact O-NH1 3.41Å; S255-R260 WeakPolarHBondContact OG-CG 3.48Å |
| 256 | S | 83.8 | Confident | 74 | Confident | 75 Ų | 75 | 84.2 Ų | 84.2 | 52% | 0.524 | 45% | 0.454 | S | S | . | . | trans | -60.9 | 154.1 | 178.2 | 70.6 | 0 | 0 | 0 | 0 | 111.6 | Q258 C259 R260 | S256-Q258 VanDerWaalsContact C-N 3.26Å; S256-Q258 PolarHBondContact O-N 3.45Å; S256-C259 WeakPolarHBondContact O-CA 3.5Å; S256-C259 WeakPolarHBondContact O-CB 3.28Å; S256-C259 PolarHBondContact O-N 3.2Å; S256-C259 WeakPolarHBondContact OG-CB 3.45Å; S256-C259 PolarHBondContact OG-N 3.16Å; S256-R260 PolarHBondContact O-N 2.7Å | ||
| 257 | E | 84 | Confident | 74.2 | Confident | 133 Ų | 133 | 79.5 Ų | 79.5 | 62% | 0.621 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -55.2 | -42 | -179.9 | -171.4 | 179.8 | 177.7 | 0 | 0 | 112.9 | C259 R260 L261 | E257-C259 VanDerWaalsContact C-N 3.31Å; E257-C259 PolarHBondContact O-N 3.41Å; E257-R260 PolarHBondContact O-N 2.85Å; E257-L261 WeakPolarHBondContact O-CG 3.38Å; E257-L261 PolarHBondContact O-N 2.88Å |
| 258 | Q | 82.6 | Confident | 75.1 | Confident | 150 Ų | 150 | 81.4 Ų | 81.4 | 70% | 0.701 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -62 | -38 | 175.4 | -65.3 | 179.5 | 3.1 | 0 | 0 | 112.3 | S256 K262 | S256-Q258 VanDerWaalsContact C-N 3.26Å; S256-Q258 PolarHBondContact O-N 3.45Å; Q258-K262 WeakPolarHBondContact O-CG 3.37Å; Q258-K262 PolarHBondContact O-N 3.44Å |
| 259 | C | 74.9 | Confident | 75.9 | Confident | 49 Ų | 49 | 80.6 Ų | 80.6 | 33% | 0.331 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -67.4 | -45.4 | 175.5 | -173.6 | 0 | 0 | 0 | 0 | 111.1 | S256 E257 L261 K262 I263 | S256-C259 WeakPolarHBondContact O-CA 3.5Å; S256-C259 WeakPolarHBondContact O-CB 3.28Å; S256-C259 PolarHBondContact O-N 3.2Å; S256-C259 WeakPolarHBondContact OG-CB 3.45Å; S256-C259 PolarHBondContact OG-N 3.16Å; E257-C259 VanDerWaalsContact C-N 3.31Å; E257-C259 PolarHBondContact O-N 3.41Å; C259-L261 VanDerWaalsContact C-N 3.33Å; C259-L261 PolarHBondContact O-N 3.26Å; C259-K262 PolarHBondContact O-N 2.88Å; C259-K262 VanDerWaalsContact O-N 3.14Å; C259-I263 WeakPolarHBondContact O-CG1 3.44Å; C259-I263 PolarHBondContact O-N 2.73Å; C259-I263 VanDerWaalsContact SG-CD1 3.56Å |
| 260 | R | 71 | Confident | 76.6 | Confident | 76 Ų | 76 | 81.3 Ų | 81.3 | 29% | 0.287 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -56.7 | -43.9 | 177 | -70.9 | -169.3 | -58 | -109 | 6.2 | 112.8 | F252 V253 S255 S256 E257 K264 | F252-R260 HydrophobicContact CD1-CG 4.3Å; F252-R260 HydrophobicContact CD2-CG 4.33Å; F252-R260 HydrophobicContact CE1-CB 4.08Å; F252-R260 HydrophobicContact CE1-CG 3.89Å; F252-R260 HydrophobicContact CE2-CB 3.86Å; F252-R260 HydrophobicContact CE2-CG 3.94Å; F252-R260 HydrophobicContact CG-CG 4.49Å; F252-R260 HydrophobicContact CZ-CB 3.46Å; F252-R260 VanDerWaalsContact CZ-CB 3.46Å; F252-R260 HydrophobicContact CZ-CG 3.67Å; F252-R260 VanDerWaalsContact O-CD 3.31Å; F252-R260 WeakPolarHBondContact O-CD 3.42Å; F252-R260 WeakPolarHBondContact O-CG 3.42Å; V253-R260 PolarHBondContact O-NH1 3.44Å; S255-R260 PolarHBondContact O-NH1 3.41Å; S255-R260 WeakPolarHBondContact OG-CG 3.48Å; S256-R260 PolarHBondContact O-N 2.7Å; E257-R260 PolarHBondContact O-N 2.85Å; R260-K264 WeakPolarHBondContact O-CB 3.38Å; R260-K264 WeakPolarHBondContact O-CG 3.38Å; R260-K264 PolarHBondContact O-N 3.38Å |
| 261 | L | 77.9 | Confident | 77.4 | Confident | 109 Ų | 109 | 79 Ų | 79 | 57% | 0.571 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -63.3 | -43.8 | 177.2 | -70.3 | 174.2 | 0 | 0 | 0 | 111.5 | E257 C259 K264 A265 | E257-L261 WeakPolarHBondContact O-CG 3.38Å; E257-L261 PolarHBondContact O-N 2.88Å; C259-L261 VanDerWaalsContact C-N 3.33Å; C259-L261 PolarHBondContact O-N 3.26Å; L261-K264 PolarHBondContact O-N 3.07Å; L261-A265 WeakPolarHBondContact O-CB 2.86Å; L261-A265 PolarHBondContact O-N 2.9Å |
| 262 | K | 76.9 | Confident | 78.6 | Confident | 115 Ų | 115 | 80 Ų | 80 | 50% | 0.5 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.4 | -42 | 177.2 | -71.7 | -179.1 | 178.5 | -174.7 | 0 | 112.9 | L157 Q258 C259 A265 L266 | L157-K262 HydrophobicContact CD2-CB 4.44Å; L157-K262 HydrophobicContact CD2-CG 4.26Å; Q258-K262 WeakPolarHBondContact O-CG 3.37Å; Q258-K262 PolarHBondContact O-N 3.44Å; C259-K262 PolarHBondContact O-N 2.88Å; C259-K262 VanDerWaalsContact O-N 3.14Å; K262-A265 PolarHBondContact O-N 2.87Å; K262-L266 PolarHBondContact O-N 3.12Å |
| 263 | I | 71 | Confident | 79.7 | Confident | 84 Ų | 84 | 77.7 Ų | 77.7 | 43% | 0.431 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | 176 | -69.7 | 167.7 | 0 | 0 | 0 | 110.3 | F252 C259 A265 L266 | F252-I263 HydrophobicContact CD2-CB 4.4Å; F252-I263 HydrophobicContact CD2-CD1 4.3Å; F252-I263 HydrophobicContact CD2-CG2 3.97Å; F252-I263 HydrophobicContact CE2-CB 3.97Å; F252-I263 HydrophobicContact CE2-CG2 3.82Å; C259-I263 WeakPolarHBondContact O-CG1 3.44Å; C259-I263 PolarHBondContact O-N 2.73Å; C259-I263 VanDerWaalsContact SG-CD1 3.56Å; I263-A265 VanDerWaalsContact C-N 3.26Å; I263-A265 PolarHBondContact O-N 3.15Å; I263-L266 WeakPolarHBondContact O-CB 3.21Å; I263-L266 PolarHBondContact O-N 3.05Å |
| 264 | K | 71.1 | Confident | 80.5 | Confident | 134 Ų | 134 | 73.4 Ų | 73.4 | 58% | 0.583 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61 | -35.6 | 176.3 | -79.9 | 175.3 | 168.3 | 179.5 | 0 | 112.6 | F252 R260 L261 | F252-K264 HydrophobicContact CE2-CG 4.1Å; F252-K264 HydrophobicContact CZ-CD 3.81Å; F252-K264 VanDerWaalsContact CZ-CE 3.43Å; F252-K264 HydrophobicContact CZ-CG 3.7Å; R260-K264 WeakPolarHBondContact O-CB 3.38Å; R260-K264 WeakPolarHBondContact O-CG 3.38Å; R260-K264 PolarHBondContact O-N 3.38Å; L261-K264 PolarHBondContact O-N 3.07Å |
| 265 | A | 77.5 | Confident | 81.2 | Confident | 37 Ų | 37 | 68.6 Ų | 68.6 | 31% | 0.306 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -78.9 | -19.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L261 K262 I263 G267 E268 I269 | L261-A265 WeakPolarHBondContact O-CB 2.86Å; L261-A265 PolarHBondContact O-N 2.9Å; K262-A265 PolarHBondContact O-N 2.87Å; I263-A265 VanDerWaalsContact C-N 3.26Å; I263-A265 PolarHBondContact O-N 3.15Å; A265-G267 PolarHBondContact O-N 3.31Å; A265-E268 PolarHBondContact O-N 3.46Å; A265-E268 VanDerWaalsContact O-N 3.15Å; A265-I269 HydrophobicContact CB-CD1 3.93Å; A265-I269 WeakPolarHBondContact O-CB 3.23Å; A265-I269 VanDerWaalsContact O-CG1 3.28Å; A265-I269 WeakPolarHBondContact O-CG1 3.4Å; A265-I269 PolarHBondContact O-N 3.4Å |
| 266 | L | 77 | Confident | 82.2 | Confident | 40 Ų | 40 | 73 Ų | 73 | 21% | 0.209 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -56.9 | -46.6 | -172.6 | 179.2 | 63.1 | 0 | 0 | 0 | 112.7 | I153 L157 F160 K262 I263 E268 I269 E270 | I153-L266 HydrophobicContact CG2-CD1 3.94Å; L157-L266 HydrophobicContact CD1-CD1 3.55Å; F160-L266 HydrophobicContact CD2-CD1 4.42Å; F160-L266 HydrophobicContact CE1-CD1 4.29Å; F160-L266 HydrophobicContact CE2-CD1 3.92Å; F160-L266 HydrophobicContact CE2-CD2 3.79Å; F160-L266 HydrophobicContact CZ-CD1 3.85Å; F160-L266 HydrophobicContact CZ-CD2 3.92Å; K262-L266 PolarHBondContact O-N 3.12Å; I263-L266 WeakPolarHBondContact O-CB 3.21Å; I263-L266 PolarHBondContact O-N 3.05Å; L266-E268 VanDerWaalsContact C-N 3.33Å; L266-E268 PolarHBondContact O-N 3.26Å; L266-I269 PolarHBondContact O-N 2.88Å; L266-E270 WeakPolarHBondContact O-CB 3.25Å; L266-E270 PolarHBondContact O-N 3.35Å |
| 267 | G | 76.9 | Confident | 82.7 | Confident | 11 Ų | 11 | 71 Ų | 71 | 11% | 0.113 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.8 | -37 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A265 C271 | A265-G267 PolarHBondContact O-N 3.31Å; G267-C271 WeakPolarHBondContact O-CB 3.15Å; G267-C271 PolarHBondContact O-N 3.2Å; G267-C271 VanDerWaalsContact O-N 3.13Å; G267-C271 PolarHBondContact O-SG 2.79Å |
| 268 | E | 83.8 | Confident | 83.2 | Confident | 126 Ų | 126 | 64.7 Ų | 64.7 | 59% | 0.589 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -70.1 | -40.2 | 175.4 | -172.5 | 62.6 | -155.3 | 0 | 0 | 111.2 | A265 L266 C271 Q272 | A265-E268 PolarHBondContact O-N 3.46Å; A265-E268 VanDerWaalsContact O-N 3.15Å; L266-E268 VanDerWaalsContact C-N 3.33Å; L266-E268 PolarHBondContact O-N 3.26Å; E268-C271 WeakPolarHBondContact O-CB 2.89Å; E268-C271 PolarHBondContact O-N 3.24Å; E268-Q272 WeakPolarHBondContact O-CB 3.34Å; E268-Q272 PolarHBondContact O-N 3.15Å |
| 269 | I | 85.6 | Confident | 83.8 | Confident | 26 Ų | 26 | 60.5 Ų | 60.5 | 13% | 0.133 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.5 | -45.1 | 177.3 | -70.6 | 167.9 | 0 | 0 | 0 | 111.1 | I153 S156 L157 A265 L266 C271 Q272 C273 | I153-I269 HydrophobicContact CG1-CG2 4.45Å; S156-I269 VanDerWaalsContact CB-CG2 3.49Å; L157-I269 HydrophobicContact CD1-CD1 3.92Å; L157-I269 HydrophobicContact CD2-CD1 3.63Å; L157-I269 HydrophobicContact CG-CD1 3.67Å; A265-I269 HydrophobicContact CB-CD1 3.93Å; A265-I269 WeakPolarHBondContact O-CB 3.23Å; A265-I269 VanDerWaalsContact O-CG1 3.28Å; A265-I269 WeakPolarHBondContact O-CG1 3.4Å; A265-I269 PolarHBondContact O-N 3.4Å; L266-I269 PolarHBondContact O-N 2.88Å; I269-C271 VanDerWaalsContact C-N 3.27Å; I269-C271 PolarHBondContact O-N 3.2Å; I269-Q272 PolarHBondContact O-N 3.43Å; I269-C273 VanDerWaalsContact O-CB 3.25Å; I269-C273 WeakPolarHBondContact O-CB 3.5Å; I269-C273 PolarHBondContact O-N 3.12Å; I269-C273 PolarHBondContact O-SG 3.27Å; I269-C273 VanDerWaalsContact O-SG 3.39Å |
| 270 | E | 84 | Confident | 84.7 | Confident | 65 Ų | 65 | 61.6 Ų | 61.6 | 30% | 0.304 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -57.5 | -43 | 174.6 | 176.4 | 177.7 | -169.8 | 0 | 0 | 111.2 | I153 L266 S274 Q317 | I153-E270 HydrophobicContact CD1-CB 3.92Å; I153-E270 HydrophobicContact CD1-CG 3.97Å; I153-E270 HydrophobicContact CG1-CB 4.48Å; L266-E270 WeakPolarHBondContact O-CB 3.25Å; L266-E270 PolarHBondContact O-N 3.35Å; E270-S274 WeakPolarHBondContact O-CB 3.22Å; E270-S274 PolarHBondContact O-N 2.92Å; E270-S274 PolarHBondContact O-OG 2.96Å; E270-Q317 PolarHBondContact OE2-NE2 3.47Å |
| 271 | C | 88.6 | Confident | 85.8 | Confident | 11 Ų | 11 | 58 Ų | 58 | 7% | 0.074 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.9 | -50.4 | 176.4 | -86.8 | 0 | 0 | 0 | 0 | 114 | G267 E268 I269 C273 S274 L275 C314 | G267-C271 WeakPolarHBondContact O-CB 3.15Å; G267-C271 PolarHBondContact O-N 3.2Å; G267-C271 VanDerWaalsContact O-N 3.13Å; G267-C271 PolarHBondContact O-SG 2.79Å; E268-C271 WeakPolarHBondContact O-CB 2.89Å; E268-C271 PolarHBondContact O-N 3.24Å; I269-C271 VanDerWaalsContact C-N 3.27Å; I269-C271 PolarHBondContact O-N 3.2Å; C271-C273 VanDerWaalsContact C-N 3.3Å; C271-C273 PolarHBondContact O-N 3.01Å; C271-S274 PolarHBondContact O-N 3.34Å; C271-L275 WeakPolarHBondContact O-CG 3.32Å; C271-L275 PolarHBondContact O-N 3.38Å; C271-C314 WeakPolarHBondContact CA-SG 3.44Å; C271-C314 HydrophobicContact CB-CB 4.04Å; C271-C314 WeakPolarHBondContact CB-SG 3.42Å; C271-C314 WeakPolarHBondContact SG-CA 3.46Å; C271-C314 WeakPolarHBondContact SG-CB 3.42Å; C271-C314 CovalentContact SG-SG 2.04Å; C271-C314 PolarHBondContact SG-SG 2.04Å |
| 272 | Q | 91.9 | Very high | 86.6 | Confident | 98 Ų | 98 | 52.8 Ų | 52.8 | 46% | 0.458 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -57.8 | -46.4 | 177 | -176.4 | 177.4 | -4.6 | 0 | 0 | 110.6 | E268 I269 S274 L275 E276 | E268-Q272 WeakPolarHBondContact O-CB 3.34Å; E268-Q272 PolarHBondContact O-N 3.15Å; I269-Q272 PolarHBondContact O-N 3.43Å; Q272-S274 PolarHBondContact O-N 3.45Å; Q272-L275 PolarHBondContact O-N 3.16Å; Q272-E276 HydrophobicContact CG-CG 4.28Å; Q272-E276 VanDerWaalsContact CG-OE1 3.27Å; Q272-E276 WeakPolarHBondContact CG-OE1 3.03Å; Q272-E276 PolarHBondContact NE2-OE1 2.79Å; Q272-E276 WeakPolarHBondContact O-CB 3.45Å; Q272-E276 VanDerWaalsContact O-CG 3.3Å; Q272-E276 WeakPolarHBondContact O-CG 3.4Å; Q272-E276 PolarHBondContact O-N 3.39Å |
| 273 | C | 90.3 | Very high | 87.5 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.014 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.4 | -46.6 | 175.4 | -82.9 | 0 | 0 | 0 | 0 | 112.6 | C152 I153 I269 C271 L275 L277 | C152-C273 HydrophobicContact CB-CB 3.62Å; C152-C273 WeakPolarHBondContact CB-SG 3.5Å; C152-C273 WeakPolarHBondContact SG-CA 3.48Å; C152-C273 WeakPolarHBondContact SG-CB 3.37Å; C152-C273 CovalentContact SG-SG 2.04Å; C152-C273 PolarHBondContact SG-SG 3.32Å; I153-C273 HydrophobicContact CG1-CB 4.25Å; I153-C273 PolarHBondContact N-SG 3.33Å; I269-C273 VanDerWaalsContact O-CB 3.25Å; I269-C273 WeakPolarHBondContact O-CB 3.5Å; I269-C273 PolarHBondContact O-N 3.12Å; I269-C273 PolarHBondContact O-SG 3.27Å; I269-C273 VanDerWaalsContact O-SG 3.39Å; C271-C273 VanDerWaalsContact C-N 3.3Å; C271-C273 PolarHBondContact O-N 3.01Å; C273-L275 PolarHBondContact O-N 3.11Å; C273-L277 WeakPolarHBondContact O-CB 3.42Å; C273-L277 WeakPolarHBondContact O-CD1 3.41Å; C273-L277 VanDerWaalsContact O-CG 3.22Å; C273-L277 WeakPolarHBondContact O-CG 3.18Å; C273-L277 PolarHBondContact O-N 3.37Å; C273-L277 VanDerWaalsContact O-N 3.14Å |
| 274 | S | 90 | Very high | 88.6 | Confident | 11 Ų | 11 | 48.5 Ų | 48.5 | 8% | 0.077 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.8 | -42 | -179.9 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | E270 C271 Q272 I278 | E270-S274 WeakPolarHBondContact O-CB 3.22Å; E270-S274 PolarHBondContact O-N 2.92Å; E270-S274 PolarHBondContact O-OG 2.96Å; C271-S274 PolarHBondContact O-N 3.34Å; Q272-S274 PolarHBondContact O-N 3.45Å; S274-I278 WeakPolarHBondContact O-CG1 3.44Å |
| 275 | L | 92.5 | Very high | 89.7 | Confident | 64 Ų | 64 | 42.1 Ų | 42.1 | 34% | 0.335 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -72.1 | -40.6 | 179.6 | -67.7 | 176.3 | 0 | 0 | 0 | 113 | C271 Q272 C273 L277 I278 M310 D311 | C271-L275 WeakPolarHBondContact O-CG 3.32Å; C271-L275 PolarHBondContact O-N 3.38Å; Q272-L275 PolarHBondContact O-N 3.16Å; C273-L275 PolarHBondContact O-N 3.11Å; L275-L277 VanDerWaalsContact C-N 3.3Å; L275-L277 PolarHBondContact O-N 3.49Å; L275-I278 HydrophobicContact CD2-CD1 3.9Å; L275-I278 WeakPolarHBondContact O-CB 3.39Å; L275-I278 WeakPolarHBondContact O-CG1 2.97Å; L275-I278 PolarHBondContact O-N 3.28Å; L275-M310 HydrophobicContact CD2-CB 4.09Å; L275-D311 WeakPolarHBondContact CD2-OD1 3.25Å |
| 276 | E | 94.4 | Very high | 90.5 | Very high | 118 Ų | 118 | 41.4 Ų | 41.4 | 55% | 0.551 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -66 | -32.5 | 178.4 | -75.9 | 179 | -176.3 | 0 | 0 | 112.4 | Q272 I278 P279 | Q272-E276 HydrophobicContact CG-CG 4.28Å; Q272-E276 VanDerWaalsContact CG-OE1 3.27Å; Q272-E276 WeakPolarHBondContact CG-OE1 3.03Å; Q272-E276 PolarHBondContact NE2-OE1 2.79Å; Q272-E276 WeakPolarHBondContact O-CB 3.45Å; Q272-E276 VanDerWaalsContact O-CG 3.3Å; Q272-E276 WeakPolarHBondContact O-CG 3.4Å; Q272-E276 PolarHBondContact O-N 3.39Å; E276-I278 VanDerWaalsContact C-N 3.33Å; E276-P279 WeakPolarHBondContact O-CD 3.41Å |
| 277 | L | 94.3 | Very high | 91.3 | Very high | 32 Ų | 32 | 46 Ų | 46 | 17% | 0.168 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -8.3 | -179 | -70.8 | 169 | 0 | 0 | 0 | 114.2 | M148 V149 C152 C273 L275 P279 T280 M281 | M148-L277 HydrophobicContact CB-CD1 4.07Å; M148-L277 WeakPolarHBondContact O-CD1 3.46Å; V149-L277 HydrophobicContact CG2-CD1 4.22Å; C152-L277 HydrophobicContact CB-CD1 3.99Å; C273-L277 WeakPolarHBondContact O-CB 3.42Å; C273-L277 WeakPolarHBondContact O-CD1 3.41Å; C273-L277 VanDerWaalsContact O-CG 3.22Å; C273-L277 WeakPolarHBondContact O-CG 3.18Å; C273-L277 PolarHBondContact O-N 3.37Å; C273-L277 VanDerWaalsContact O-N 3.14Å; L275-L277 VanDerWaalsContact C-N 3.3Å; L275-L277 PolarHBondContact O-N 3.49Å; L277-P279 VanDerWaalsContact C-CD 3.5Å; L277-T280 WeakPolarHBondContact O-CB 3.38Å; L277-T280 PolarHBondContact O-N 3.04Å; L277-M281 HydrophobicContact CB-CE 3.45Å; L277-M281 VanDerWaalsContact CB-CE 3.45Å; L277-M281 HydrophobicContact CB-CG 4.29Å; L277-M281 HydrophobicContact CB-SD 3.99Å; L277-M281 HydrophobicContact CD1-CE 3.76Å; L277-M281 HydrophobicContact CG-CE 4.25Å; L277-M281 WeakPolarHBondContact O-CG 3.3Å; L277-M281 PolarHBondContact O-N 2.94Å |
| 278 | I | 94.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -51.1 | -46.9 | -177.1 | -68.8 | -176.7 | 0 | 0 | 0 | 113.2 | S274 L275 E276 T280 M281 T282 E303 R307 M310 | S274-I278 WeakPolarHBondContact O-CG1 3.44Å; L275-I278 HydrophobicContact CD2-CD1 3.9Å; L275-I278 WeakPolarHBondContact O-CB 3.39Å; L275-I278 WeakPolarHBondContact O-CG1 2.97Å; L275-I278 PolarHBondContact O-N 3.28Å; E276-I278 VanDerWaalsContact C-N 3.33Å; I278-T280 VanDerWaalsContact C-N 3.32Å; I278-T280 PolarHBondContact O-N 3.3Å; I278-M281 PolarHBondContact O-N 3.42Å; I278-T282 VanDerWaalsContact O-CB 3.22Å; I278-T282 WeakPolarHBondContact O-CB 3.35Å; I278-T282 PolarHBondContact O-N 3.41Å; I278-T282 PolarHBondContact O-OG1 3.03Å; I278-E303 HydrophobicContact CG2-CG 4.04Å; I278-R307 HydrophobicContact CD1-CB 4.28Å; I278-R307 HydrophobicContact CD1-CG 3.55Å; I278-R307 HydrophobicContact CG2-CG 3.92Å; I278-M310 HydrophobicContact CD1-CB 4.39Å; I278-M310 HydrophobicContact CD1-CG 4.38Å |
| 279 | P | 95.4 | Very high | 92.6 | Very high | 63 Ų | 63 | 41.3 Ų | 41.3 | 41% | 0.409 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.9 | -41 | 179.6 | -23.8 | 35.6 | 0 | 0 | 0 | 112.7 | E276 L277 N283 | E276-P279 WeakPolarHBondContact O-CD 3.41Å; L277-P279 VanDerWaalsContact C-CD 3.5Å; P279-N283 PolarHBondContact O-N 3.41Å; P279-N283 VanDerWaalsContact O-N 3.11Å; P279-N283 PolarHBondContact O-ND2 3.47Å |
| 280 | T | 95.5 | Very high | 92.9 | Very high | 71 Ų | 71 | 41.6 Ų | 41.6 | 44% | 0.436 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.8 | -47.8 | 178.8 | -54.9 | 0 | 0 | 0 | 0 | 111.1 | M148 L277 I278 T282 N283 M284 | M148-T280 HydrophobicContact CE-CG2 4.26Å; M148-T280 HydrophobicContact SD-CG2 4.25Å; L277-T280 WeakPolarHBondContact O-CB 3.38Å; L277-T280 PolarHBondContact O-N 3.04Å; I278-T280 VanDerWaalsContact C-N 3.32Å; I278-T280 PolarHBondContact O-N 3.3Å; T280-T282 VanDerWaalsContact C-N 3.31Å; T280-T282 PolarHBondContact O-N 2.89Å; T280-N283 PolarHBondContact O-N 3.39Å; T280-M284 PolarHBondContact O-N 3.46Å; T280-M284 VanDerWaalsContact O-N 3.15Å |
| 281 | M | 92.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.2 | -39.5 | 176.5 | -67.5 | 168.9 | 178.1 | 0 | 0 | 111.7 | V145 M148 V149 L277 I278 M284 L285 L306 M310 | V145-M281 HydrophobicContact CG1-CE 3.81Å; V145-M281 HydrophobicContact CG1-CG 4.15Å; V145-M281 HydrophobicContact CG1-SD 3.84Å; V145-M281 HydrophobicContact CG2-CG 4.39Å; M148-M281 HydrophobicContact CB-CE 4.35Å; M148-M281 HydrophobicContact SD-CG 4.37Å; V149-M281 HydrophobicContact CG2-CE 3.3Å; L277-M281 HydrophobicContact CB-CE 3.45Å; L277-M281 VanDerWaalsContact CB-CE 3.45Å; L277-M281 HydrophobicContact CB-CG 4.29Å; L277-M281 HydrophobicContact CB-SD 3.99Å; L277-M281 HydrophobicContact CD1-CE 3.76Å; L277-M281 HydrophobicContact CG-CE 4.25Å; L277-M281 WeakPolarHBondContact O-CG 3.3Å; L277-M281 PolarHBondContact O-N 2.94Å; I278-M281 PolarHBondContact O-N 3.42Å; M281-M284 PolarHBondContact O-N 3.19Å; M281-L285 VanDerWaalsContact O-CB 3.25Å; M281-L285 WeakPolarHBondContact O-CB 3.34Å; M281-L285 WeakPolarHBondContact O-CG 3.24Å; M281-L285 PolarHBondContact O-N 3.14Å; M281-L306 HydrophobicContact CB-CD1 4.06Å; M281-M310 HydrophobicContact SD-CE 4.2Å |
| 282 | T | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.6 | -46.1 | 177.6 | -61.9 | 0 | 0 | 0 | 0 | 110.8 | I278 T280 T286 R299 V302 E303 L306 | I278-T282 VanDerWaalsContact O-CB 3.22Å; I278-T282 WeakPolarHBondContact O-CB 3.35Å; I278-T282 PolarHBondContact O-N 3.41Å; I278-T282 PolarHBondContact O-OG1 3.03Å; T280-T282 VanDerWaalsContact C-N 3.31Å; T280-T282 PolarHBondContact O-N 2.89Å; T282-T286 WeakPolarHBondContact O-CB 3.36Å; T282-T286 PolarHBondContact O-N 2.84Å; T282-T286 PolarHBondContact O-OG1 3.27Å; T282-R299 HydrophobicContact CG2-CG 3.77Å; T282-V302 HydrophobicContact CG2-CG1 4.48Å; T282-E303 HydrophobicContact CG2-CB 3.78Å; T282-E303 HydrophobicContact CG2-CG 4.38Å; T282-L306 WeakPolarHBondContact OG1-CD1 3.38Å |
| 283 | N | 95 | Very high | 93.5 | Very high | 77 Ų | 77 | 38.8 Ų | 38.8 | 41% | 0.412 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -57.2 | -55.4 | 177.2 | -74.4 | -28.4 | 0 | 0 | 0 | 111 | P279 T280 T286 E287 R299 | P279-N283 PolarHBondContact O-N 3.41Å; P279-N283 VanDerWaalsContact O-N 3.11Å; P279-N283 PolarHBondContact O-ND2 3.47Å; T280-N283 PolarHBondContact O-N 3.39Å; N283-T286 PolarHBondContact O-N 2.93Å; N283-E287 PolarHBondContact O-N 3.36Å; N283-R299 PolarHBondContact OD1-NH1 3.17Å; N283-R299 PolarHBondContact OD1-NH2 3.47Å |
| 284 | M | 94.5 | Very high | 93.5 | Very high | 33 Ų | 33 | 46.4 Ų | 46.4 | 16% | 0.163 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.5 | -52.6 | -177.1 | -177.2 | -173.7 | 77 | 0 | 0 | 111.5 | T144 V145 M148 T280 M281 T286 E287 D288 | T144-M284 HydrophobicContact CG2-CE 4.24Å; T144-M284 HydrophobicContact CG2-SD 3.68Å; V145-M284 HydrophobicContact CB-CE 4.39Å; V145-M284 HydrophobicContact CG2-CE 3.26Å; M148-M284 HydrophobicContact CE-CE 4.36Å; M148-M284 HydrophobicContact CE-SD 3.55Å; M148-M284 VanDerWaalsContact CE-SD 3.55Å; M148-M284 HydrophobicContact SD-SD 4.44Å; T280-M284 PolarHBondContact O-N 3.46Å; T280-M284 VanDerWaalsContact O-N 3.15Å; M281-M284 PolarHBondContact O-N 3.19Å; M284-T286 VanDerWaalsContact C-N 3.29Å; M284-T286 PolarHBondContact O-N 3.47Å; M284-E287 PolarHBondContact O-N 3.32Å; M284-E287 VanDerWaalsContact O-N 3.14Å; M284-D288 VanDerWaalsContact O-CG 3.28Å; M284-D288 PolarHBondContact O-N 3.08Å |
| 285 | L | 93.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.3 | -34.1 | -178.7 | -71.7 | 171.9 | 0 | 0 | 0 | 112.4 | I9 M138 Y142 V145 M281 E287 Y289 V302 L306 | I9-L285 HydrophobicContact CD1-CD1 3.99Å; M138-L285 HydrophobicContact CE-CD2 3.79Å; Y142-L285 HydrophobicContact CD1-CD2 4.43Å; Y142-L285 HydrophobicContact CE1-CD2 4.31Å; V145-L285 HydrophobicContact CG2-CD1 4.03Å; V145-L285 HydrophobicContact CG2-CD2 4.09Å; V145-L285 HydrophobicContact CG2-CG 4.1Å; M281-L285 VanDerWaalsContact O-CB 3.25Å; M281-L285 WeakPolarHBondContact O-CB 3.34Å; M281-L285 WeakPolarHBondContact O-CG 3.24Å; M281-L285 PolarHBondContact O-N 3.14Å; L285-E287 VanDerWaalsContact C-N 3.34Å; L285-Y289 HydrophobicContact CB-CD2 4.12Å; L285-Y289 HydrophobicContact CB-CE2 4.05Å; L285-Y289 HydrophobicContact CD2-CE2 4.41Å; L285-Y289 WeakPolarHBondContact O-CB 3.49Å; L285-Y289 WeakPolarHBondContact O-CD2 3.28Å; L285-Y289 PolarHBondContact O-N 3.25Å; L285-V302 HydrophobicContact CB-CG1 4.01Å; L285-L306 HydrophobicContact CD1-CD1 3.94Å; L285-L306 HydrophobicContact CD1-CD2 3.82Å; L285-L306 HydrophobicContact CD1-CG 4.29Å |
| 286 | T | 94.5 | Very high | 93.5 | Very high | 22 Ų | 22 | 49 Ų | 49 | 14% | 0.135 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 175.4 | -61.7 | 0 | 0 | 0 | 0 | 111.2 | T282 N283 M284 S290 V297 R299 | T282-T286 WeakPolarHBondContact O-CB 3.36Å; T282-T286 PolarHBondContact O-N 2.84Å; T282-T286 PolarHBondContact O-OG1 3.27Å; N283-T286 PolarHBondContact O-N 2.93Å; M284-T286 VanDerWaalsContact C-N 3.29Å; M284-T286 PolarHBondContact O-N 3.47Å; T286-S290 WeakPolarHBondContact O-CB 3.43Å; T286-S290 PolarHBondContact O-N 3.23Å; T286-S290 VanDerWaalsContact O-N 3.09Å; T286-S290 PolarHBondContact O-OG 2.82Å; T286-V297 HydrophobicContact CG2-CG1 3.54Å; T286-V297 WeakPolarHBondContact O-CG1 3.04Å; T286-R299 HydrophobicContact CG2-CB 4Å; T286-R299 HydrophobicContact CG2-CG 4.39Å |
| 287 | E | 95.1 | Very high | 93.4 | Very high | 135 Ų | 135 | 44.1 Ų | 44.1 | 63% | 0.631 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -67.2 | -46.5 | 177.3 | -175.1 | 172.4 | -175.1 | 0 | 0 | 111.5 | N283 M284 L285 S290 T291 | N283-E287 PolarHBondContact O-N 3.36Å; M284-E287 PolarHBondContact O-N 3.32Å; M284-E287 VanDerWaalsContact O-N 3.14Å; L285-E287 VanDerWaalsContact C-N 3.34Å; E287-S290 PolarHBondContact O-N 2.98Å; E287-T291 PolarHBondContact O-N 3.45Å; E287-T291 PolarHBondContact O-OG1 3.21Å |
| 288 | D | 93.9 | Very high | 93.3 | Very high | 40 Ų | 40 | 44 Ų | 44 | 21% | 0.214 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.1 | -44.9 | -179.4 | -66.8 | -17.3 | 0 | 0 | 0 | 111.7 | M138 S141 M284 S290 T291 C292 | M138-D288 HydrophobicContact CE-CB 3.87Å; M138-D288 VanDerWaalsContact SD-C 3.59Å; M138-D288 HydrophobicContact SD-CB 3.93Å; S141-D288 WeakPolarHBondContact CB-OD2 3.37Å; S141-D288 WeakPolarHBondContact OG-CB 3.41Å; S141-D288 PolarHBondContact OG-OD2 2.92Å; M284-D288 VanDerWaalsContact O-CG 3.28Å; M284-D288 PolarHBondContact O-N 3.08Å; D288-S290 VanDerWaalsContact C-N 3.3Å; D288-S290 PolarHBondContact O-N 3.44Å; D288-T291 PolarHBondContact O-N 2.83Å; D288-C292 WeakPolarHBondContact O-CB 3.32Å; D288-C292 PolarHBondContact O-N 3.41Å; D288-C292 PolarHBondContact O-SG 2.04Å |
| 289 | Y | 92.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.5 | -43.8 | 173.9 | -81.3 | -53.1 | 0 | 0 | 0 | 111.1 | M13 W121 M138 Y142 L285 T291 F293 V302 | M13-Y289 HydrophobicContact CE-CD1 4.1Å; M13-Y289 HydrophobicContact CE-CE1 3.27Å; M13-Y289 HydrophobicContact SD-CD1 4.2Å; M13-Y289 HydrophobicContact SD-CE1 3.75Å; W121-Y289 HydrophobicContact CH2-CE2 4.45Å; W121-Y289 HydrophobicContact CZ3-CD2 4.08Å; W121-Y289 AromaticContact CZ3-CE2 3.65Å; W121-Y289 HydrophobicContact CZ3-CE2 3.65Å; M138-Y289 HydrophobicContact CE-CD1 3.61Å; M138-Y289 HydrophobicContact CE-CD2 4.16Å; M138-Y289 HydrophobicContact CE-CE1 3.49Å; M138-Y289 VanDerWaalsContact CE-CE1 3.49Å; M138-Y289 HydrophobicContact CE-CE2 4.06Å; M138-Y289 HydrophobicContact CE-CG 3.93Å; M138-Y289 HydrophobicContact CG-CD1 3.99Å; M138-Y289 HydrophobicContact CG-CE1 3.86Å; M138-Y289 HydrophobicContact SD-CD1 3.55Å; M138-Y289 VanDerWaalsContact SD-CD1 3.55Å; M138-Y289 HydrophobicContact SD-CE1 3.84Å; M138-Y289 HydrophobicContact SD-CG 4.11Å; Y142-Y289 WeakPolarHBondContact CE1-OH 3.42Å; Y142-Y289 WeakPolarHBondContact OH-CE1 3.34Å; Y142-Y289 PolarHBondContact OH-OH 2.89Å; L285-Y289 HydrophobicContact CB-CD2 4.12Å; L285-Y289 HydrophobicContact CB-CE2 4.05Å; L285-Y289 HydrophobicContact CD2-CE2 4.41Å; L285-Y289 WeakPolarHBondContact O-CB 3.49Å; L285-Y289 WeakPolarHBondContact O-CD2 3.28Å; L285-Y289 PolarHBondContact O-N 3.25Å; Y289-T291 VanDerWaalsContact C-N 3.25Å; Y289-T291 PolarHBondContact O-N 3.27Å; Y289-F293 AromaticContact CD1-CD2 3.82Å; Y289-F293 HydrophobicContact CD1-CD2 3.82Å; Y289-F293 AromaticContact CD1-CE2 3.55Å; Y289-F293 HydrophobicContact CD1-CE2 3.55Å; Y289-F293 AromaticContact CE1-CE2 3.99Å; Y289-F293 HydrophobicContact CE1-CE2 3.99Å; Y289-F293 VanDerWaalsContact O-CB 3.23Å; Y289-F293 WeakPolarHBondContact O-CB 3.15Å; Y289-F293 WeakPolarHBondContact O-CD2 3.27Å; Y289-F293 PolarHBondContact O-N 3.42Å; Y289-V302 HydrophobicContact CD2-CG2 4.15Å |
| 290 | S | 93.6 | Very high | 93.4 | Very high | 32 Ų | 32 | 50 Ų | 50 | 22% | 0.224 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.4 | -37.1 | 179.4 | -59 | 0 | 0 | 0 | 0 | 112 | T286 E287 D288 Q294 A295 V297 | T286-S290 WeakPolarHBondContact O-CB 3.43Å; T286-S290 PolarHBondContact O-N 3.23Å; T286-S290 VanDerWaalsContact O-N 3.09Å; T286-S290 PolarHBondContact O-OG 2.82Å; E287-S290 PolarHBondContact O-N 2.98Å; D288-S290 VanDerWaalsContact C-N 3.3Å; D288-S290 PolarHBondContact O-N 3.44Å; S290-Q294 WeakPolarHBondContact O-CA 3.46Å; S290-Q294 PolarHBondContact O-N 3.46Å; S290-A295 VanDerWaalsContact CA-O 3.28Å; S290-A295 WeakPolarHBondContact CA-O 3.49Å; S290-A295 PolarHBondContact O-N 3.11Å; S290-V297 WeakPolarHBondContact OG-CG1 3.38Å |
| 291 | T | 93.9 | Very high | 93.2 | Very high | 96 Ų | 96 | 47.3 Ų | 47.3 | 59% | 0.589 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -72.1 | -53.5 | 178.4 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | E287 D288 Y289 F293 Q294 | E287-T291 PolarHBondContact O-N 3.45Å; E287-T291 PolarHBondContact O-OG1 3.21Å; D288-T291 PolarHBondContact O-N 2.83Å; Y289-T291 VanDerWaalsContact C-N 3.25Å; Y289-T291 PolarHBondContact O-N 3.27Å; T291-F293 PolarHBondContact O-N 3.36Å; T291-Q294 WeakPolarHBondContact O-CG 3.23Å; T291-Q294 PolarHBondContact O-N 3.43Å |
| 292 | C | 91.5 | Very high | 93.1 | Very high | 17 Ų | 17 | 47.3 Ų | 47.3 | 12% | 0.115 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.2 | -39.8 | -177.6 | -69.5 | 0 | 0 | 0 | 0 | 112.4 | C137 M138 D288 | C137-C292 HydrophobicContact CB-CB 3.62Å; C137-C292 WeakPolarHBondContact CB-SG 3.48Å; C137-C292 WeakPolarHBondContact SG-CA 3.27Å; C137-C292 WeakPolarHBondContact SG-CB 3.33Å; C137-C292 CovalentContact SG-SG 2.04Å; C137-C292 PolarHBondContact SG-SG 3.49Å; M138-C292 HydrophobicContact CG-CB 4.11Å; M138-C292 HydrophobicContact SD-CB 3.86Å; M138-C292 VanDerWaalsContact SD-SG 3.61Å; D288-C292 WeakPolarHBondContact O-CB 3.32Å; D288-C292 PolarHBondContact O-N 3.41Å; D288-C292 PolarHBondContact O-SG 2.04Å |
| 293 | F | 90 | Very high | 93.1 | Very high | 1 Ų | 1 | 50 Ų | 50 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -90.5 | -4 | 179 | -69.6 | -103.3 | 0 | 0 | 0 | 113 | M13 L117 F122 K128 F130 E134 M138 Y289 T291 A295 | M13-F293 HydrophobicContact CE-CE2 4.02Å; M13-F293 HydrophobicContact CE-CZ 3.59Å; M13-F293 HydrophobicContact SD-CE1 4.5Å; M13-F293 HydrophobicContact SD-CE2 4.45Å; M13-F293 HydrophobicContact SD-CZ 4.02Å; L117-F293 HydrophobicContact CD1-CD1 4.02Å; L117-F293 HydrophobicContact CD2-CD1 3.5Å; L117-F293 HydrophobicContact CD2-CE1 3.59Å; L117-F293 HydrophobicContact CG-CD1 4.44Å; F122-F293 HydrophobicContact CE1-CB 3.68Å; F122-F293 HydrophobicContact CE1-CD1 4.38Å; F122-F293 AromaticContact CE1-CG 3.95Å; F122-F293 HydrophobicContact CE1-CG 3.95Å; F122-F293 HydrophobicContact CE2-CD1 4.2Å; F122-F293 HydrophobicContact CE2-CE1 4.48Å; F122-F293 HydrophobicContact CE2-CG 4.44Å; F122-F293 HydrophobicContact CZ-CB 3.92Å; F122-F293 AromaticContact CZ-CD1 3.84Å; F122-F293 HydrophobicContact CZ-CD1 3.84Å; F122-F293 AromaticContact CZ-CD2 4Å; F122-F293 HydrophobicContact CZ-CD2 4Å; F122-F293 HydrophobicContact CZ-CE1 4.37Å; F122-F293 AromaticContact CZ-CG 3.63Å; F122-F293 HydrophobicContact CZ-CG 3.63Å; K128-F293 PolarHBondContact NZ-O 2.58Å; F130-F293 AromaticContact CD2-CE1 3.87Å; F130-F293 HydrophobicContact CD2-CE1 3.87Å; F130-F293 HydrophobicContact CD2-CZ 4.49Å; F130-F293 AromaticContact CE2-CE1 3.91Å; F130-F293 HydrophobicContact CE2-CE1 3.91Å; F130-F293 HydrophobicContact CE2-CZ 4.07Å; E134-F293 HydrophobicContact CB-CD1 3.9Å; E134-F293 HydrophobicContact CB-CD2 4.01Å; E134-F293 HydrophobicContact CB-CE1 3.64Å; E134-F293 HydrophobicContact CB-CE2 3.72Å; E134-F293 HydrophobicContact CB-CG 4.09Å; E134-F293 HydrophobicContact CB-CZ 3.53Å; E134-F293 HydrophobicContact CG-CD1 3.93Å; E134-F293 HydrophobicContact CG-CE1 4.08Å; E134-F293 HydrophobicContact CG-CG 4.19Å; E134-F293 HydrophobicContact CG-CZ 4.44Å; M138-F293 HydrophobicContact CG-CE2 4.02Å; Y289-F293 AromaticContact CD1-CD2 3.82Å; Y289-F293 HydrophobicContact CD1-CD2 3.82Å; Y289-F293 AromaticContact CD1-CE2 3.55Å; Y289-F293 HydrophobicContact CD1-CE2 3.55Å; Y289-F293 AromaticContact CE1-CE2 3.99Å; Y289-F293 HydrophobicContact CE1-CE2 3.99Å; Y289-F293 VanDerWaalsContact O-CB 3.23Å; Y289-F293 WeakPolarHBondContact O-CB 3.15Å; Y289-F293 WeakPolarHBondContact O-CD2 3.27Å; Y289-F293 PolarHBondContact O-N 3.42Å; T291-F293 PolarHBondContact O-N 3.36Å; F293-A295 HydrophobicContact CB-CB 4.47Å; F293-A295 WeakPolarHBondContact O-CB 3.22Å; F293-A295 PolarHBondContact O-N 2.86Å; F293-A295 VanDerWaalsContact O-N 3.11Å |
| 294 | Q | 90.7 | Very high | 93 | Very high | 162 Ų | 162 | 55 Ų | 55 | 76% | 0.757 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.9 | 41 | -177.4 | -55.1 | 172.9 | 11.5 | 0 | 0 | 112.2 | S290 T291 | S290-Q294 WeakPolarHBondContact O-CA 3.46Å; S290-Q294 PolarHBondContact O-N 3.46Å; T291-Q294 WeakPolarHBondContact O-CG 3.23Å; T291-Q294 PolarHBondContact O-N 3.43Å |
| 295 | A | 90.7 | Very high | 92.7 | Very high | 12 Ų | 12 | 54.5 Ų | 54.5 | 10% | 0.099 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -151.5 | 142.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | F122 A125 S290 F293 V297 | F122-A295 HydrophobicContact CD1-CB 3.85Å; F122-A295 HydrophobicContact CE1-CB 4.39Å; A125-A295 HydrophobicContact CB-CB 3.65Å; S290-A295 VanDerWaalsContact CA-O 3.28Å; S290-A295 WeakPolarHBondContact CA-O 3.49Å; S290-A295 PolarHBondContact O-N 3.11Å; F293-A295 HydrophobicContact CB-CB 4.47Å; F293-A295 WeakPolarHBondContact O-CB 3.22Å; F293-A295 PolarHBondContact O-N 2.86Å; F293-A295 VanDerWaalsContact O-N 3.11Å; A295-V297 PolarHBondContact O-N 2.89Å |
| 296 | N | 91.5 | Very high | 92.4 | Very high | 118 Ų | 118 | 54.6 Ų | 54.6 | 63% | 0.631 | 28% | 0.281 | S | S | * | . | trans | -66.5 | 120.8 | 179 | -68.9 | -19.6 | 0 | 0 | 0 | 110.3 | ||||
| 297 | V | 92.3 | Very high | 92.3 | Very high | 16 Ų | 16 | 58.3 Ų | 58.3 | 10% | 0.097 | 29% | 0.292 | C | S | . | . | trans | -94.9 | 141.4 | 176.6 | 77.6 | 0 | 0 | 0 | 0 | 111.5 | W121 F122 T286 S290 A295 R299 V302 | W121-V297 HydrophobicContact CB-CG2 4.41Å; W121-V297 HydrophobicContact CE3-CG2 4.03Å; W121-V297 CarbonylContact O-C 3.59Å; W121-V297 VanDerWaalsContact O-CA 3.27Å; W121-V297 WeakPolarHBondContact O-CA 3.38Å; W121-V297 WeakPolarHBondContact O-CG2 3.04Å; F122-V297 HydrophobicContact CD1-CB 4.19Å; F122-V297 HydrophobicContact CD1-CG2 4.27Å; F122-V297 HydrophobicContact CE1-CB 3.79Å; F122-V297 HydrophobicContact CE1-CG2 3.8Å; F122-V297 HydrophobicContact CE2-CG2 4.49Å; F122-V297 HydrophobicContact CZ-CB 4.39Å; F122-V297 HydrophobicContact CZ-CG2 3.93Å; T286-V297 HydrophobicContact CG2-CG1 3.54Å; T286-V297 WeakPolarHBondContact O-CG1 3.04Å; S290-V297 WeakPolarHBondContact OG-CG1 3.38Å; A295-V297 PolarHBondContact O-N 2.89Å; V297-R299 PolarHBondContact O-N 3.42Å; V297-R299 VanDerWaalsContact O-N 3.13Å; V297-V302 HydrophobicContact CG1-CG2 4.31Å; V297-V302 HydrophobicContact CG2-CG2 3.85Å | ||
| 298 | S | 93.3 | Very high | 92 | Very high | 29 Ų | 29 | 54 Ų | 54 | 20% | 0.203 | 28% | 0.277 | C | S | . | . | trans | -70.9 | 103.2 | 172.6 | 176.3 | 0 | 0 | 0 | 0 | 109.9 | D120 W121 S300 A301 V302 | D120-S298 VanDerWaalsContact O-CB 3.26Å; D120-S298 WeakPolarHBondContact O-CB 3.36Å; W121-S298 PolarHBondContact O-N 2.89Å; S298-S300 PolarHBondContact O-N 3.05Å; S298-S300 PolarHBondContact OG-OG 2.83Å; S298-S300 VanDerWaalsContact OG-OG 3.14Å; S298-A301 WeakPolarHBondContact O-CB 3.37Å; S298-A301 PolarHBondContact O-N 2.99Å; S298-A301 PolarHBondContact OG-N 3.04Å; S298-V302 PolarHBondContact O-N 2.94Å | ||
| 299 | R | 95.2 | Very high | 91.4 | Very high | 120 Ų | 120 | 55 Ų | 55 | 45% | 0.453 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -51 | -40 | 173.9 | -177.6 | -171.9 | 171.2 | 117.4 | 7.6 | 112.7 | T282 N283 T286 V297 A301 V302 E303 | T282-R299 HydrophobicContact CG2-CG 3.77Å; N283-R299 PolarHBondContact OD1-NH1 3.17Å; N283-R299 PolarHBondContact OD1-NH2 3.47Å; T286-R299 HydrophobicContact CG2-CB 4Å; T286-R299 HydrophobicContact CG2-CG 4.39Å; V297-R299 PolarHBondContact O-N 3.42Å; V297-R299 VanDerWaalsContact O-N 3.13Å; R299-A301 VanDerWaalsContact C-N 3.33Å; R299-V302 PolarHBondContact O-N 3.39Å; R299-E303 PolarHBondContact O-N 3.45Å |
| 300 | S | 95.6 | Very high | 91.1 | Very high | 70 Ų | 70 | 55.2 Ų | 55.2 | 49% | 0.49 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -70.8 | -29.5 | -179.7 | 63.9 | 0 | 0 | 0 | 0 | 112.5 | S298 R304 | S298-S300 PolarHBondContact O-N 3.05Å; S298-S300 PolarHBondContact OG-OG 2.83Å; S298-S300 VanDerWaalsContact OG-OG 3.14Å; S300-R304 VanDerWaalsContact O-CB 3.24Å; S300-R304 WeakPolarHBondContact O-CB 3.32Å; S300-R304 PolarHBondContact O-N 3.44Å |
| 301 | A | 91.1 | Very high | 90.8 | Very high | 13 Ų | 13 | 57.1 Ų | 57.1 | 11% | 0.107 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.3 | -45 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | D120 W121 S298 R299 R304 A305 | D120-A301 WeakPolarHBondContact O-CB 3.14Å; W121-A301 HydrophobicContact CD2-CB 4.33Å; W121-A301 HydrophobicContact CG-CB 4.16Å; S298-A301 WeakPolarHBondContact O-CB 3.37Å; S298-A301 PolarHBondContact O-N 2.99Å; S298-A301 PolarHBondContact OG-N 3.04Å; R299-A301 VanDerWaalsContact C-N 3.33Å; A301-R304 PolarHBondContact O-N 3.45Å; A301-A305 WeakPolarHBondContact O-CB 3.41Å; A301-A305 PolarHBondContact O-N 2.92Å |
| 302 | V | 91.2 | Very high | 90.2 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.7 | -50.5 | 174.9 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | W121 T282 L285 Y289 V297 S298 R299 R304 A305 L306 | W121-V302 HydrophobicContact CE3-CG2 3.91Å; W121-V302 HydrophobicContact CH2-CG2 4.47Å; W121-V302 HydrophobicContact CZ3-CB 4.35Å; W121-V302 HydrophobicContact CZ3-CG2 3.68Å; T282-V302 HydrophobicContact CG2-CG1 4.48Å; L285-V302 HydrophobicContact CB-CG1 4.01Å; Y289-V302 HydrophobicContact CD2-CG2 4.15Å; V297-V302 HydrophobicContact CG1-CG2 4.31Å; V297-V302 HydrophobicContact CG2-CG2 3.85Å; S298-V302 PolarHBondContact O-N 2.94Å; R299-V302 PolarHBondContact O-N 3.39Å; V302-R304 PolarHBondContact O-N 3.31Å; V302-A305 PolarHBondContact O-N 2.86Å; V302-L306 HydrophobicContact CG1-CD1 4.01Å; V302-L306 WeakPolarHBondContact O-CG 3.37Å; V302-L306 PolarHBondContact O-N 3.34Å |
| 303 | E | 94.6 | Very high | 89.5 | Confident | 56 Ų | 56 | 57.2 Ų | 57.2 | 26% | 0.262 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.1 | -45.2 | -179.9 | -171 | 177.7 | 166.5 | 0 | 0 | 112 | I278 T282 R299 A305 L306 R307 | I278-E303 HydrophobicContact CG2-CG 4.04Å; T282-E303 HydrophobicContact CG2-CB 3.78Å; T282-E303 HydrophobicContact CG2-CG 4.38Å; R299-E303 PolarHBondContact O-N 3.45Å; E303-A305 VanDerWaalsContact C-N 3.32Å; E303-A305 PolarHBondContact O-N 2.97Å; E303-L306 PolarHBondContact O-N 3.42Å; E303-R307 HydrophobicContact CG-CG 4.46Å; E303-R307 WeakPolarHBondContact O-CB 3.48Å; E303-R307 WeakPolarHBondContact O-CG 3.33Å; E303-R307 PolarHBondContact O-N 3.01Å; E303-R307 IonicContact OE1-CZ 3.14Å; E303-R307 VanDerWaalsContact OE1-CZ 3.27Å; E303-R307 IonicContact OE1-NE 3.45Å; E303-R307 PolarHBondContact OE1-NE 3.1Å; E303-R307 IonicContact OE1-NH2 3.61Å; E303-R307 PolarHBondContact OE1-NH2 3.4Å |
| 304 | R | 93.2 | Very high | 89.2 | Confident | 183 Ų | 183 | 58.1 Ų | 58.1 | 69% | 0.691 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -62.1 | -41.7 | 179.3 | -173 | -173.4 | -54 | -164.8 | 2.6 | 111.5 | S300 A301 V302 S308 | S300-R304 VanDerWaalsContact O-CB 3.24Å; S300-R304 WeakPolarHBondContact O-CB 3.32Å; S300-R304 PolarHBondContact O-N 3.44Å; A301-R304 PolarHBondContact O-N 3.45Å; V302-R304 PolarHBondContact O-N 3.31Å; R304-S308 VanDerWaalsContact O-CB 3.3Å; R304-S308 WeakPolarHBondContact O-CB 3.25Å; R304-S308 PolarHBondContact O-N 2.96Å |
| 305 | A | 87.6 | Confident | 88.8 | Confident | 21 Ų | 21 | 55.6 Ų | 55.6 | 17% | 0.174 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66 | -44.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | W121 A301 V302 E303 R309 | W121-A305 HydrophobicContact CH2-CB 3.77Å; W121-A305 HydrophobicContact CZ2-CB 3.34Å; A301-A305 WeakPolarHBondContact O-CB 3.41Å; A301-A305 PolarHBondContact O-N 2.92Å; V302-A305 PolarHBondContact O-N 2.86Å; E303-A305 VanDerWaalsContact C-N 3.32Å; E303-A305 PolarHBondContact O-N 2.97Å; A305-R309 VanDerWaalsContact O-CB 3.27Å; A305-R309 WeakPolarHBondContact O-CB 2.97Å; A305-R309 PolarHBondContact O-N 3.28Å |
| 306 | L | 88.1 | Confident | 87.9 | Confident | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.1 | -52.4 | 174 | -76.1 | 169.5 | 0 | 0 | 0 | 111.3 | I9 M281 T282 L285 V302 E303 S308 R309 M310 | I9-L306 HydrophobicContact CD1-CD2 3.83Å; M281-L306 HydrophobicContact CB-CD1 4.06Å; T282-L306 WeakPolarHBondContact OG1-CD1 3.38Å; L285-L306 HydrophobicContact CD1-CD1 3.94Å; L285-L306 HydrophobicContact CD1-CD2 3.82Å; L285-L306 HydrophobicContact CD1-CG 4.29Å; V302-L306 HydrophobicContact CG1-CD1 4.01Å; V302-L306 WeakPolarHBondContact O-CG 3.37Å; V302-L306 PolarHBondContact O-N 3.34Å; E303-L306 PolarHBondContact O-N 3.42Å; L306-S308 PolarHBondContact O-N 3.27Å; L306-R309 PolarHBondContact O-N 3.45Å; L306-M310 HydrophobicContact CD2-CE 4.46Å; L306-M310 WeakPolarHBondContact O-CB 3.46Å; L306-M310 VanDerWaalsContact O-CG 3.28Å; L306-M310 WeakPolarHBondContact O-CG 3.43Å; L306-M310 PolarHBondContact O-N 3.36Å |
| 307 | R | 92.3 | Very high | 87 | Confident | 100 Ų | 100 | 53.9 Ų | 53.9 | 38% | 0.377 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -55.9 | -53.2 | 178 | -75.4 | -179.3 | -175.4 | -71.3 | -2.2 | 111.8 | I278 E303 R309 M310 D311 | I278-R307 HydrophobicContact CD1-CB 4.28Å; I278-R307 HydrophobicContact CD1-CG 3.55Å; I278-R307 HydrophobicContact CG2-CG 3.92Å; E303-R307 HydrophobicContact CG-CG 4.46Å; E303-R307 WeakPolarHBondContact O-CB 3.48Å; E303-R307 WeakPolarHBondContact O-CG 3.33Å; E303-R307 PolarHBondContact O-N 3.01Å; E303-R307 IonicContact OE1-CZ 3.14Å; E303-R307 VanDerWaalsContact OE1-CZ 3.27Å; E303-R307 IonicContact OE1-NE 3.45Å; E303-R307 PolarHBondContact OE1-NE 3.1Å; E303-R307 IonicContact OE1-NH2 3.61Å; E303-R307 PolarHBondContact OE1-NH2 3.4Å; R307-R309 PolarHBondContact O-N 3.47Å; R307-M310 PolarHBondContact O-N 2.8Å; R307-D311 WeakPolarHBondContact O-CB 3.49Å; R307-D311 VanDerWaalsContact O-CG 3.26Å; R307-D311 PolarHBondContact O-N 3.4Å |
| 308 | S | 88.1 | Confident | 86.2 | Confident | 45 Ų | 45 | 61.2 Ų | 61.2 | 32% | 0.315 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.2 | -38.8 | 179.3 | -175.8 | 0 | 0 | 0 | 0 | 111.8 | R304 L306 Q312 | R304-S308 VanDerWaalsContact O-CB 3.3Å; R304-S308 WeakPolarHBondContact O-CB 3.25Å; R304-S308 PolarHBondContact O-N 2.96Å; L306-S308 PolarHBondContact O-N 3.27Å; S308-Q312 WeakPolarHBondContact O-CB 3.37Å; S308-Q312 WeakPolarHBondContact O-CG 3.37Å; S308-Q312 PolarHBondContact O-N 2.83Å; S308-Q312 VanDerWaalsContact O-N 3.11Å; S308-Q312 PolarHBondContact OG-NE2 3.31Å |
| 309 | R | 82.7 | Confident | 85.3 | Confident | 60 Ų | 60 | 66.5 Ų | 66.5 | 23% | 0.226 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -70 | -49.4 | 179 | -177.9 | 59.6 | 179.6 | -163.2 | 3.4 | 111.3 | L7 A305 L306 R307 D311 Q312 E313 | L7-R309 HydrophobicContact CD2-CG 4.49Å; A305-R309 VanDerWaalsContact O-CB 3.27Å; A305-R309 WeakPolarHBondContact O-CB 2.97Å; A305-R309 PolarHBondContact O-N 3.28Å; L306-R309 PolarHBondContact O-N 3.45Å; R307-R309 PolarHBondContact O-N 3.47Å; R309-D311 VanDerWaalsContact C-N 3.33Å; R309-D311 PolarHBondContact O-N 3.26Å; R309-Q312 PolarHBondContact O-N 2.91Å; R309-E313 HydrophobicContact CG-CG 4.29Å; R309-E313 IonicContact CZ-OE1 3.16Å; R309-E313 IonicContact NE-OE1 2.86Å; R309-E313 PolarHBondContact NE-OE1 3.15Å; R309-E313 VanDerWaalsContact NE-OE1 3.16Å; R309-E313 IonicContact NH1-OE1 2.78Å; R309-E313 IonicContact NH2-OE1 3.27Å; R309-E313 PolarHBondContact NH2-OE1 3.31Å; R309-E313 WeakPolarHBondContact O-CB 3.3Å; R309-E313 VanDerWaalsContact O-CG 3.23Å; R309-E313 WeakPolarHBondContact O-CG 3.4Å; R309-E313 PolarHBondContact O-N 3.36Å |
| 310 | M | 85.3 | Confident | 84 | Confident | 5 Ų | 5 | 61.2 Ų | 61.2 | 3% | 0.025 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 179.8 | -63.7 | -52.1 | 176 | 0 | 0 | 111.3 | L7 L275 I278 M281 L306 R307 Q312 E313 C314 | L7-M310 HydrophobicContact CD2-CE 3.81Å; L7-M310 HydrophobicContact CD2-SD 4.27Å; L275-M310 HydrophobicContact CD2-CB 4.09Å; I278-M310 HydrophobicContact CD1-CB 4.39Å; I278-M310 HydrophobicContact CD1-CG 4.38Å; M281-M310 HydrophobicContact SD-CE 4.2Å; L306-M310 HydrophobicContact CD2-CE 4.46Å; L306-M310 WeakPolarHBondContact O-CB 3.46Å; L306-M310 VanDerWaalsContact O-CG 3.28Å; L306-M310 WeakPolarHBondContact O-CG 3.43Å; L306-M310 PolarHBondContact O-N 3.36Å; R307-M310 PolarHBondContact O-N 2.8Å; M310-Q312 PolarHBondContact O-N 2.94Å; M310-E313 PolarHBondContact O-N 3.18Å; M310-C314 WeakPolarHBondContact O-CB 3.49Å; M310-C314 PolarHBondContact O-N 2.98Å; M310-C314 PolarHBondContact O-SG 3.34Å; M310-C314 VanDerWaalsContact O-SG 3.32Å |
| 311 | D | 87.1 | Confident | 82.6 | Confident | 73 Ų | 73 | 62.3 Ų | 62.3 | 39% | 0.39 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 174.8 | -73.5 | -28.8 | 0 | 0 | 0 | 111.8 | L275 R307 R309 C314 Q315 | L275-D311 WeakPolarHBondContact CD2-OD1 3.25Å; R307-D311 WeakPolarHBondContact O-CB 3.49Å; R307-D311 VanDerWaalsContact O-CG 3.26Å; R307-D311 PolarHBondContact O-N 3.4Å; R309-D311 VanDerWaalsContact C-N 3.33Å; R309-D311 PolarHBondContact O-N 3.26Å; D311-C314 PolarHBondContact O-N 2.64Å; D311-Q315 WeakPolarHBondContact O-CB 3.19Å; D311-Q315 VanDerWaalsContact O-CG 3.25Å; D311-Q315 WeakPolarHBondContact O-CG 3.18Å; D311-Q315 PolarHBondContact O-N 2.82Å |
| 312 | Q | 81.2 | Confident | 81.6 | Confident | 76 Ų | 76 | 64.6 Ų | 64.6 | 36% | 0.355 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.2 | -46.3 | 176.3 | -76.2 | 170 | 14.7 | 0 | 0 | 112.1 | S308 R309 M310 C314 Q315 R316 | S308-Q312 WeakPolarHBondContact O-CB 3.37Å; S308-Q312 WeakPolarHBondContact O-CG 3.37Å; S308-Q312 PolarHBondContact O-N 2.83Å; S308-Q312 VanDerWaalsContact O-N 3.11Å; S308-Q312 PolarHBondContact OG-NE2 3.31Å; R309-Q312 PolarHBondContact O-N 2.91Å; M310-Q312 PolarHBondContact O-N 2.94Å; Q312-C314 VanDerWaalsContact C-N 3.27Å; Q312-C314 PolarHBondContact O-N 3.43Å; Q312-Q315 PolarHBondContact O-N 3.14Å; Q312-R316 WeakPolarHBondContact O-CB 3.49Å; Q312-R316 PolarHBondContact O-N 3.18Å |
| 313 | E | 77.1 | Confident | 80.4 | Confident | 38 Ų | 38 | 64.6 Ų | 64.6 | 18% | 0.178 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.9 | -38.4 | 177.2 | -69.4 | -66.5 | 148 | 0 | 0 | 110.9 | R309 M310 R316 Q317 | R309-E313 HydrophobicContact CG-CG 4.29Å; R309-E313 IonicContact CZ-OE1 3.16Å; R309-E313 IonicContact NE-OE1 2.86Å; R309-E313 PolarHBondContact NE-OE1 3.15Å; R309-E313 VanDerWaalsContact NE-OE1 3.16Å; R309-E313 IonicContact NH1-OE1 2.78Å; R309-E313 IonicContact NH2-OE1 3.27Å; R309-E313 PolarHBondContact NH2-OE1 3.31Å; R309-E313 WeakPolarHBondContact O-CB 3.3Å; R309-E313 VanDerWaalsContact O-CG 3.23Å; R309-E313 WeakPolarHBondContact O-CG 3.4Å; R309-E313 PolarHBondContact O-N 3.36Å; M310-E313 PolarHBondContact O-N 3.18Å; E313-R316 VanDerWaalsContact CD-NH1 3.31Å; E313-R316 CarbonylContact O-C 3.25Å; E313-R316 WeakPolarHBondContact O-CB 3.23Å; E313-R316 PolarHBondContact O-N 2.97Å; E313-R316 IonicContact OE1-CZ 3.66Å; E313-R316 IonicContact OE1-NH1 3.83Å; E313-R316 PolarHBondContact OE1-NH1 3.34Å; E313-R316 IonicContact OE2-CZ 3.01Å; E313-R316 IonicContact OE2-NE 3.83Å; E313-R316 IonicContact OE2-NH1 2.7Å; E313-R316 PolarHBondContact OE2-NH1 3.11Å; E313-R316 IonicContact OE2-NH2 2.78Å; E313-R316 PolarHBondContact OE2-NH2 2.69Å; E313-Q317 WeakPolarHBondContact O-CB 3.28Å; E313-Q317 PolarHBondContact O-N 2.97Å |
| 314 | C | 83.7 | Confident | 79.1 | Confident | 20 Ų | 20 | 64.7 Ų | 64.7 | 14% | 0.135 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.7 | -43.8 | 175.7 | -82.2 | 0 | 0 | 0 | 0 | 114.2 | C271 M310 D311 Q312 R316 Q317 R318 | C271-C314 WeakPolarHBondContact CA-SG 3.44Å; C271-C314 HydrophobicContact CB-CB 4.04Å; C271-C314 WeakPolarHBondContact CB-SG 3.42Å; C271-C314 WeakPolarHBondContact SG-CA 3.46Å; C271-C314 WeakPolarHBondContact SG-CB 3.42Å; C271-C314 CovalentContact SG-SG 2.04Å; C271-C314 PolarHBondContact SG-SG 2.04Å; M310-C314 WeakPolarHBondContact O-CB 3.49Å; M310-C314 PolarHBondContact O-N 2.98Å; M310-C314 PolarHBondContact O-SG 3.34Å; M310-C314 VanDerWaalsContact O-SG 3.32Å; D311-C314 PolarHBondContact O-N 2.64Å; Q312-C314 VanDerWaalsContact C-N 3.27Å; Q312-C314 PolarHBondContact O-N 3.43Å; C314-R316 PolarHBondContact O-N 3.39Å; C314-Q317 PolarHBondContact O-N 2.68Å; C314-R318 WeakPolarHBondContact O-CB 3.49Å; C314-R318 PolarHBondContact O-N 3.09Å |
| 315 | Q | 82.1 | Confident | 77.7 | Confident | 110 Ų | 110 | 63.6 Ų | 63.6 | 51% | 0.514 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.6 | -39.1 | 171.2 | -72.7 | 176.9 | 20.5 | 0 | 0 | 110.8 | D311 Q312 R319 | D311-Q315 WeakPolarHBondContact O-CB 3.19Å; D311-Q315 VanDerWaalsContact O-CG 3.25Å; D311-Q315 WeakPolarHBondContact O-CG 3.18Å; D311-Q315 PolarHBondContact O-N 2.82Å; Q312-Q315 PolarHBondContact O-N 3.14Å; Q315-R319 WeakPolarHBondContact O-CB 3.4Å; Q315-R319 VanDerWaalsContact O-CG 3.22Å; Q315-R319 WeakPolarHBondContact O-CG 3.22Å; Q315-R319 PolarHBondContact O-N 3.36Å |
| 316 | R | 72.8 | Confident | 76.8 | Confident | 57 Ų | 57 | 66.7 Ų | 66.7 | 22% | 0.215 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.3 | -47.8 | 174.7 | -162.5 | -174.7 | 75.2 | -149.9 | -6.6 | 110.7 | L172 Q312 E313 C314 R318 R319 S320 | L172-R316 HydrophobicContact CB-CG 3.71Å; L172-R316 HydrophobicContact CD1-CB 4.42Å; L172-R316 HydrophobicContact CD1-CG 3.44Å; L172-R316 VanDerWaalsContact CD1-CG 3.44Å; L172-R316 VanDerWaalsContact CD1-O 3.26Å; L172-R316 WeakPolarHBondContact CD1-O 3.46Å; L172-R316 HydrophobicContact CG-CG 4.14Å; Q312-R316 WeakPolarHBondContact O-CB 3.49Å; Q312-R316 PolarHBondContact O-N 3.18Å; E313-R316 VanDerWaalsContact CD-NH1 3.31Å; E313-R316 CarbonylContact O-C 3.25Å; E313-R316 WeakPolarHBondContact O-CB 3.23Å; E313-R316 PolarHBondContact O-N 2.97Å; E313-R316 IonicContact OE1-CZ 3.66Å; E313-R316 IonicContact OE1-NH1 3.83Å; E313-R316 PolarHBondContact OE1-NH1 3.34Å; E313-R316 IonicContact OE2-CZ 3.01Å; E313-R316 IonicContact OE2-NE 3.83Å; E313-R316 IonicContact OE2-NH1 2.7Å; E313-R316 PolarHBondContact OE2-NH1 3.11Å; E313-R316 IonicContact OE2-NH2 2.78Å; E313-R316 PolarHBondContact OE2-NH2 2.69Å; C314-R316 PolarHBondContact O-N 3.39Å; R316-R318 PolarHBondContact O-N 2.75Å; R316-R319 PolarHBondContact O-N 2.92Å; R316-S320 WeakPolarHBondContact O-CB 3.38Å; R316-S320 PolarHBondContact O-N 2.75Å |
| 317 | Q | 73.1 | Confident | 75.9 | Confident | 36 Ų | 36 | 70.1 Ų | 70.1 | 17% | 0.168 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.7 | -45.1 | -179.9 | -169.6 | 70 | -27.2 | 0 | 0 | 112 | E270 E313 C314 R319 S320 T321 | E270-Q317 PolarHBondContact OE2-NE2 3.47Å; E313-Q317 WeakPolarHBondContact O-CB 3.28Å; E313-Q317 PolarHBondContact O-N 2.97Å; C314-Q317 PolarHBondContact O-N 2.68Å; Q317-R319 PolarHBondContact O-N 3.11Å; Q317-S320 WeakPolarHBondContact O-CB 3.2Å; Q317-S320 PolarHBondContact O-N 2.89Å; Q317-S320 VanDerWaalsContact O-N 3.1Å; Q317-T321 PolarHBondContact O-N 3Å; Q317-T321 PolarHBondContact O-OG1 3.24Å |
| 318 | R | 75.8 | Confident | 74.9 | Confident | 170 Ų | 170 | 65.7 Ų | 65.7 | 64% | 0.642 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -59.4 | -45.6 | 174.5 | -176.6 | 174.7 | 176.8 | 164.9 | 4 | 111.8 | C314 R316 S320 T321 E322 | C314-R318 WeakPolarHBondContact O-CB 3.49Å; C314-R318 PolarHBondContact O-N 3.09Å; R316-R318 PolarHBondContact O-N 2.75Å; R318-S320 VanDerWaalsContact C-N 3.31Å; R318-S320 PolarHBondContact O-N 3.05Å; R318-T321 PolarHBondContact O-N 3.31Å; R318-E322 IonicContact NE-OE1 3.77Å; R318-E322 PolarHBondContact NE-OE1 3.16Å; R318-E322 WeakPolarHBondContact O-CG 3.45Å; R318-E322 PolarHBondContact O-N 3.06Å; R318-E322 VanDerWaalsContact O-N 3.1Å |
| 319 | R | 73 | Confident | 73.9 | Confident | 141 Ų | 141 | 65.1 Ų | 65.1 | 53% | 0.532 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61 | -40.4 | 173.9 | -74.2 | 177.5 | -168.8 | -170.8 | 6.6 | 111.3 | L172 Q315 R316 Q317 T321 E322 M323 | L172-R319 HydrophobicContact CD1-CB 3.82Å; Q315-R319 WeakPolarHBondContact O-CB 3.4Å; Q315-R319 VanDerWaalsContact O-CG 3.22Å; Q315-R319 WeakPolarHBondContact O-CG 3.22Å; Q315-R319 PolarHBondContact O-N 3.36Å; R316-R319 PolarHBondContact O-N 2.92Å; Q317-R319 PolarHBondContact O-N 3.11Å; R319-T321 VanDerWaalsContact C-N 3.3Å; R319-T321 PolarHBondContact O-N 3.2Å; R319-E322 CarbonylContact O-C 3.42Å; R319-E322 PolarHBondContact O-N 2.78Å; R319-E322 VanDerWaalsContact O-N 3.11Å; R319-M323 WeakPolarHBondContact O-CA 3.21Å; R319-M323 VanDerWaalsContact O-CG 3.27Å; R319-M323 WeakPolarHBondContact O-CG 3.38Å; R319-M323 PolarHBondContact O-N 2.86Å |
| 320 | S | 67.9 | Low | 73.2 | Confident | 9 Ų | 9 | 67.2 Ų | 67.2 | 6% | 0.063 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.2 | -35.7 | 177.6 | -170.3 | 0 | 0 | 0 | 0 | 112.6 | H171 R316 Q317 R318 M323 | H171-S320 PolarHBondContact N-OG 2.69Å; R316-S320 WeakPolarHBondContact O-CB 3.38Å; R316-S320 PolarHBondContact O-N 2.75Å; Q317-S320 WeakPolarHBondContact O-CB 3.2Å; Q317-S320 PolarHBondContact O-N 2.89Å; Q317-S320 VanDerWaalsContact O-N 3.1Å; R318-S320 VanDerWaalsContact C-N 3.31Å; R318-S320 PolarHBondContact O-N 3.05Å; S320-M323 WeakPolarHBondContact O-CB 3.27Å; S320-M323 PolarHBondContact O-N 3.37Å |
| 321 | T | 67.4 | Low | 72 | Confident | 92 Ų | 92 | 68.6 Ų | 68.6 | 56% | 0.564 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -71 | -34.3 | 173.8 | -59.8 | 0 | 0 | 0 | 0 | 111.8 | Q317 R318 R319 | Q317-T321 PolarHBondContact O-N 3Å; Q317-T321 PolarHBondContact O-OG1 3.24Å; R318-T321 PolarHBondContact O-N 3.31Å; R319-T321 VanDerWaalsContact C-N 3.3Å; R319-T321 PolarHBondContact O-N 3.2Å |
| 322 | E | 69.5 | Low | 70.7 | Confident | 62 Ų | 62 | 68.8 Ų | 68.8 | 29% | 0.29 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -79.8 | -17.1 | 175.2 | -67.4 | 172.3 | -168.5 | 0 | 0 | 113.6 | R318 R319 C324 L325 K326 | R318-E322 IonicContact NE-OE1 3.77Å; R318-E322 PolarHBondContact NE-OE1 3.16Å; R318-E322 WeakPolarHBondContact O-CG 3.45Å; R318-E322 PolarHBondContact O-N 3.06Å; R318-E322 VanDerWaalsContact O-N 3.1Å; R319-E322 CarbonylContact O-C 3.42Å; R319-E322 PolarHBondContact O-N 2.78Å; R319-E322 VanDerWaalsContact O-N 3.11Å; E322-C324 VanDerWaalsContact C-N 3.35Å; E322-C324 PolarHBondContact O-N 3.12Å; E322-L325 WeakPolarHBondContact O-CA 3.39Å; E322-L325 VanDerWaalsContact O-CB 3.27Å; E322-L325 WeakPolarHBondContact O-CB 3.35Å; E322-L325 PolarHBondContact O-N 3.44Å; E322-K326 PolarHBondContact O-N 3.39Å; E322-K326 IonicContact OE2-NZ 2.9Å; E322-K326 PolarHBondContact OE2-NZ 3.3Å |
| 323 | M | 66.5 | Low | 70.2 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -57.1 | -43.3 | -167.6 | -97.8 | -180 | 121.4 | 0 | 0 | 113.3 | H171 L172 F241 R319 S320 L325 K326 L331 | H171-M323 HydrophobicContact CB-SD 4Å; L172-M323 HydrophobicContact CB-SD 4.4Å; L172-M323 HydrophobicContact CD1-SD 4.14Å; L172-M323 HydrophobicContact CD2-CE 3.2Å; L172-M323 HydrophobicContact CD2-SD 3.81Å; L172-M323 HydrophobicContact CG-CE 3.55Å; L172-M323 HydrophobicContact CG-CG 4.43Å; L172-M323 HydrophobicContact CG-SD 3.42Å; L172-M323 WeakPolarHBondContact CG-SD 3.4Å; F241-M323 HydrophobicContact CD2-CE 4.07Å; F241-M323 HydrophobicContact CE2-CB 4.1Å; F241-M323 HydrophobicContact CE2-CE 3.43Å; F241-M323 VanDerWaalsContact CE2-CE 3.43Å; F241-M323 HydrophobicContact CE2-CG 4.3Å; F241-M323 HydrophobicContact CE2-SD 3.88Å; F241-M323 HydrophobicContact CZ-CB 3.98Å; F241-M323 HydrophobicContact CZ-CE 4.22Å; F241-M323 HydrophobicContact CZ-CG 4.42Å; R319-M323 WeakPolarHBondContact O-CA 3.21Å; R319-M323 VanDerWaalsContact O-CG 3.27Å; R319-M323 WeakPolarHBondContact O-CG 3.38Å; R319-M323 PolarHBondContact O-N 2.86Å; S320-M323 WeakPolarHBondContact O-CB 3.27Å; S320-M323 PolarHBondContact O-N 3.37Å; M323-L325 PolarHBondContact O-N 2.92Å; M323-L325 VanDerWaalsContact O-N 3.12Å; M323-K326 PolarHBondContact O-N 2.83Å; M323-K326 VanDerWaalsContact O-O 3.13Å; M323-L331 HydrophobicContact CE-CB 4.29Å; M323-L331 HydrophobicContact CE-CD1 3.29Å; M323-L331 HydrophobicContact CE-CD2 3.82Å; M323-L331 HydrophobicContact CE-CG 3.96Å; M323-L331 HydrophobicContact CG-CD1 3.98Å; M323-L331 HydrophobicContact CG-CD2 3.61Å; M323-L331 HydrophobicContact CG-CG 4.43Å; M323-L331 HydrophobicContact SD-CD1 4.41Å |
| 324 | C | 66.6 | Low | 69.9 | Low | 59 Ų | 59 | 70.1 Ų | 70.1 | 40% | 0.399 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -72 | -4 | -179.6 | -56.9 | 0 | 0 | 0 | 0 | 113.3 | C245 E322 | C245-C324 WeakPolarHBondContact CA-SG 3.18Å; C245-C324 HydrophobicContact CB-CB 3.69Å; C245-C324 WeakPolarHBondContact CB-SG 3.39Å; C245-C324 WeakPolarHBondContact SG-CA 3.39Å; C245-C324 WeakPolarHBondContact SG-CB 3.37Å; C245-C324 CovalentContact SG-SG 2.05Å; C245-C324 PolarHBondContact SG-SG 2.99Å; E322-C324 VanDerWaalsContact C-N 3.35Å; E322-C324 PolarHBondContact O-N 3.12Å |
| 325 | L | 64.7 | Low | 69.1 | Low | 159 Ų | 159 | 72.8 Ų | 72.8 | 83% | 0.832 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -95.5 | -10.9 | 168.9 | -54.5 | 175 | 0 | 0 | 0 | 112.3 | E322 M323 | E322-L325 WeakPolarHBondContact O-CA 3.39Å; E322-L325 VanDerWaalsContact O-CB 3.27Å; E322-L325 WeakPolarHBondContact O-CB 3.35Å; E322-L325 PolarHBondContact O-N 3.44Å; M323-L325 PolarHBondContact O-N 2.92Å; M323-L325 VanDerWaalsContact O-N 3.12Å |
| 326 | K | 67.9 | Low | 68.3 | Low | 87 Ų | 87 | 70.6 Ų | 70.6 | 38% | 0.378 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -105.8 | 167.8 | 179.5 | -65.3 | -179.6 | -174.4 | 164.2 | 0 | 110.2 | E322 M323 D330 | E322-K326 PolarHBondContact O-N 3.39Å; E322-K326 IonicContact OE2-NZ 2.9Å; E322-K326 PolarHBondContact OE2-NZ 3.3Å; M323-K326 PolarHBondContact O-N 2.83Å; M323-K326 VanDerWaalsContact O-O 3.13Å; K326-D330 HydrophobicContact CB-CB 4.21Å |
| 327 | T | 68.8 | Low | 68.1 | Low | 74 Ų | 74 | 71.5 Ų | 71.5 | 45% | 0.454 | 35% | 0.354 | S | S | . | . | trans | -84 | 156.5 | 175.4 | 66.3 | 0 | 0 | 0 | 0 | 110.6 | D329 D330 | T327-D329 PolarHBondContact O-N 2.7Å; T327-D330 PolarHBondContact N-OD2 3.26Å; T327-D330 WeakPolarHBondContact O-CB 3.38Å; T327-D330 PolarHBondContact O-N 2.68Å; T327-D330 VanDerWaalsContact O-N 3.13Å; T327-D330 PolarHBondContact OG1-OD2 3.2Å | ||
| 328 | F | 70.7 | Confident | 67.7 | Low | 7 Ų | 7 | 73.9 Ų | 73.9 | 3% | 0.031 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -53 | -37 | 172.6 | 177.4 | -101.3 | 0 | 0 | 0 | 112.3 | F175 H197 M234 L237 E238 F241 D330 L331 L332 | F175-F328 HydrophobicContact CD2-CE2 4.27Å; F175-F328 HydrophobicContact CE2-CD2 4.48Å; F175-F328 AromaticContact CE2-CE2 3.43Å; F175-F328 HydrophobicContact CE2-CE2 3.43Å; F175-F328 VanDerWaalsContact CE2-CE2 3.43Å; F175-F328 AromaticContact CE2-CZ 3.84Å; F175-F328 HydrophobicContact CE2-CZ 3.84Å; F175-F328 AromaticContact CZ-CE2 3.97Å; F175-F328 HydrophobicContact CZ-CE2 3.97Å; F175-F328 HydrophobicContact CZ-CZ 4.13Å; H197-F328 AromaticContact CE1-CD1 3.52Å; H197-F328 AromaticContact CE1-CE1 3.73Å; M234-F328 HydrophobicContact CE-CE1 4.29Å; L237-F328 HydrophobicContact CB-CE2 4.14Å; L237-F328 HydrophobicContact CB-CZ 3.85Å; E238-F328 VanDerWaalsContact CA-CE2 3.48Å; E238-F328 HydrophobicContact CB-CD1 3.79Å; E238-F328 HydrophobicContact CB-CD2 4.11Å; E238-F328 HydrophobicContact CB-CE1 3.81Å; E238-F328 HydrophobicContact CB-CE2 4.12Å; E238-F328 HydrophobicContact CB-CG 3.92Å; E238-F328 HydrophobicContact CB-CZ 3.98Å; E238-F328 HydrophobicContact CG-CB 4.03Å; E238-F328 HydrophobicContact CG-CD1 3.89Å; E238-F328 HydrophobicContact CG-CD2 4.38Å; E238-F328 HydrophobicContact CG-CE1 4.42Å; E238-F328 HydrophobicContact CG-CG 3.85Å; F241-F328 HydrophobicContact CB-CD2 3.79Å; F241-F328 HydrophobicContact CB-CE2 4.15Å; F241-F328 HydrophobicContact CD1-CB 4.17Å; F241-F328 AromaticContact CD1-CD2 3.96Å; F241-F328 HydrophobicContact CD1-CD2 3.96Å; F241-F328 AromaticContact CG-CD2 3.93Å; F241-F328 HydrophobicContact CG-CD2 3.93Å; F328-D330 VanDerWaalsContact C-N 3.29Å; F328-D330 PolarHBondContact O-N 3.14Å; F328-L331 WeakPolarHBondContact O-CB 3.19Å; F328-L331 PolarHBondContact O-N 3.13Å; F328-L332 HydrophobicContact CD1-CD1 4.26Å; F328-L332 HydrophobicContact CE1-CD1 3.8Å; F328-L332 HydrophobicContact CE1-CD2 4.49Å; F328-L332 HydrophobicContact CE1-CG 4.23Å; F328-L332 HydrophobicContact CZ-CD2 4.43Å |
| 329 | D | 68.5 | Low | 67.1 | Low | 32 Ų | 32 | 67 Ų | 67 | 17% | 0.171 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -65.1 | -28.4 | -179.7 | -64.1 | -54.2 | 0 | 0 | 0 | 114.2 | H197 R198 R201 T327 L331 | H197-D329 IonicContact CE1-OD1 2.71Å; H197-D329 PolarHBondContact CE1-OD1 3.41Å; H197-D329 VanDerWaalsContact CE1-OD1 3.29Å; H197-D329 IonicContact ND1-OD1 2.64Å; H197-D329 PolarHBondContact ND1-OD1 3.31Å; H197-D329 VanDerWaalsContact ND1-OD1 3.14Å; R198-D329 HydrophobicContact CG-CB 4.08Å; R198-D329 WeakPolarHBondContact CG-OD1 3.24Å; R201-D329 WeakPolarHBondContact CB-OD2 3.43Å; R201-D329 VanDerWaalsContact CG-OD2 3.26Å; R201-D329 WeakPolarHBondContact CG-OD2 3.26Å; T327-D329 PolarHBondContact O-N 2.7Å; D329-L331 PolarHBondContact O-N 3.11Å; D329-L331 VanDerWaalsContact O-N 3.16Å |
| 330 | D | 66.9 | Low | 66.7 | Low | 104 Ų | 104 | 61.3 Ų | 61.3 | 56% | 0.556 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -69.9 | -6.6 | 177.9 | -63.4 | -49.9 | 0 | 0 | 0 | 112.7 | K326 T327 F328 | K326-D330 HydrophobicContact CB-CB 4.21Å; T327-D330 PolarHBondContact N-OD2 3.26Å; T327-D330 WeakPolarHBondContact O-CB 3.38Å; T327-D330 PolarHBondContact O-N 2.68Å; T327-D330 VanDerWaalsContact O-N 3.13Å; T327-D330 PolarHBondContact OG1-OD2 3.2Å; F328-D330 VanDerWaalsContact C-N 3.29Å; F328-D330 PolarHBondContact O-N 3.14Å |
| 331 | L | 60.8 | Low | 66.6 | Low | 35 Ų | 35 | 65.7 Ų | 65.7 | 18% | 0.183 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -111.5 | -7.5 | -170.1 | -54.4 | 167.9 | 0 | 0 | 0 | 113.7 | F241 M323 F328 D329 | F241-L331 HydrophobicContact CD2-CD1 4.25Å; F241-L331 HydrophobicContact CE1-CD1 3.83Å; F241-L331 HydrophobicContact CE2-CD1 3.58Å; F241-L331 HydrophobicContact CZ-CD1 3.31Å; M323-L331 HydrophobicContact CE-CB 4.29Å; M323-L331 HydrophobicContact CE-CD1 3.29Å; M323-L331 HydrophobicContact CE-CD2 3.82Å; M323-L331 HydrophobicContact CE-CG 3.96Å; M323-L331 HydrophobicContact CG-CD1 3.98Å; M323-L331 HydrophobicContact CG-CD2 3.61Å; M323-L331 HydrophobicContact CG-CG 4.43Å; M323-L331 HydrophobicContact SD-CD1 4.41Å; F328-L331 WeakPolarHBondContact O-CB 3.19Å; F328-L331 PolarHBondContact O-N 3.13Å; D329-L331 PolarHBondContact O-N 3.11Å; D329-L331 VanDerWaalsContact O-N 3.16Å |
| 332 | L | 60.6 | Low | 66.5 | Low | 77 Ų | 77 | 63.3 Ų | 63.3 | 40% | 0.403 | 34% | 0.336 | S | S | . | . | trans | -91.9 | 0 | 179.4 | -72 | 174.5 | 0 | 0 | 0 | 114 | F175 R198 M234 F328 | F175-L332 HydrophobicContact CE1-CD2 4.31Å; F175-L332 HydrophobicContact CZ-CD2 3.71Å; R198-L332 HydrophobicContact CG-CD1 4.04Å; R198-L332 PolarHBondContact NH1-OXT 3.02Å; M234-L332 HydrophobicContact CE-CD1 3.3Å; M234-L332 HydrophobicContact CE-CD2 3.35Å; M234-L332 HydrophobicContact CE-CG 3.95Å; M234-L332 HydrophobicContact SD-CD2 4.46Å; F328-L332 HydrophobicContact CD1-CD1 4.26Å; F328-L332 HydrophobicContact CE1-CD1 3.8Å; F328-L332 HydrophobicContact CE1-CD2 4.49Å; F328-L332 HydrophobicContact CE1-CG 4.23Å; F328-L332 HydrophobicContact CZ-CD2 4.43Å |
Retrieved 332 of 332 residues in 547.9 ms
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