| 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 | 39.3 | Very low | 46.6 | Very low | 241 Ų | 241 | 129.2 Ų | 129.2 | 100% | 1.187 | 76% | 0.76 | S | S | * | * | 0 | 85.3 | 0 | -69.7 | -81.4 | -134.3 | 0 | 0 | 107.8 | |||||
| 2 | A | 36.9 | Very low | 47.2 | Very low | 101 Ų | 101 | 132.8 Ų | 132.8 | 84% | 0.835 | 75% | 0.751 | S | S | * | * | trans | -120.5 | 83.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | S4 | A2-S4 PolarHBondContact O-N 3.36Š| ||
| 3 | T | 43.7 | Very low | 47.8 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | trans | -75.3 | 99.5 | 170 | 45.2 | 0 | 0 | 0 | 0 | 107.2 | L5 | T3-L5 PolarHBondContact O-N 3.49Š| ||
| 4 | S | 44.2 | Very low | 49.1 | Very low | 117 Ų | 117 | 130 Ų | 130 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | trans | -61.9 | 103.7 | 163.6 | 52.8 | 0 | 0 | 0 | 0 | 107.7 | A2 G6 | A2-S4 PolarHBondContact O-N 3.36Å; S4-G6 VanDerWaalsContact C-N 3.28Å; S4-G6 PolarHBondContact O-N 3.44Å | ||
| 5 | L | 48.8 | Very low | 50.9 | Low | 154 Ų | 154 | 129.9 Ų | 129.9 | 81% | 0.806 | 71% | 0.706 | S | S | * | * | trans | -62.3 | 89.8 | 170.5 | -75 | 154.6 | 0 | 0 | 0 | 108.3 | T3 S7 | T3-L5 PolarHBondContact O-N 3.49Å; L5-S7 PolarHBondContact O-N 3.42Å | ||
| 6 | G | 46.8 | Very low | 52.5 | Low | 64 Ų | 64 | 122.9 Ų | 122.9 | 66% | 0.66 | 67% | 0.668 | S | S | * | * | trans | -61 | 126.2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | S4 N8 | S4-G6 VanDerWaalsContact C-N 3.28Å; S4-G6 PolarHBondContact O-N 3.44Å; G6-N8 PolarHBondContact O-N 3.47Å | ||
| 7 | S | 50.6 | Low | 54.4 | Low | 120 Ų | 120 | 120 Ų | 120 | 84% | 0.839 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -67.6 | 65.7 | -177.2 | 55 | 0 | 0 | 0 | 0 | 112.8 | L5 | L5-S7 PolarHBondContact O-N 3.42Š|
| 8 | N | 49.3 | Very low | 56.1 | Low | 88 Ų | 88 | 113.9 Ų | 113.9 | 47% | 0.471 | 62% | 0.62 | S | S | . | * | trans | -132.5 | 79.3 | 175.7 | -134.7 | -46.8 | 0 | 0 | 0 | 110 | G6 E115 | G6-N8 PolarHBondContact O-N 3.47Å; N8-E115 PolarHBondContact ND2-OE1 3.46Å | ||
| 9 | T | 53.1 | Low | 57.8 | Low | 112 Ų | 112 | 114.9 Ų | 114.9 | 69% | 0.687 | 63% | 0.625 | S | S | * | * | trans | -98.4 | 0.5 | -170.7 | 41.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 10 | Y | 46.4 | Very low | 59.6 | Low | 214 Ų | 214 | 115.1 Ų | 115.1 | 84% | 0.839 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -102.6 | -3.3 | -164.7 | -124.5 | -90.5 | 0 | 0 | 0 | 118.3 | ||
| 11 | N | 53.3 | Low | 61.3 | Low | 88 Ų | 88 | 109.8 Ų | 109.8 | 47% | 0.471 | 59% | 0.591 | S | S | . | * | trans | -160.5 | 81 | 168.4 | -109.2 | -40.5 | 0 | 0 | 0 | 113.2 | Q13 Q119 | N11-Q13 PolarHBondContact O-N 3.18Å; N11-Q119 PolarHBondContact ND2-NE2 3.35Å | ||
| 12 | R | 53.8 | Low | 64 | Low | 173 Ų | 173 | 100 Ų | 100 | 65% | 0.653 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | 3.4 | 175.2 | -73.5 | -176.2 | 173.5 | 177.8 | -1.5 | 114.3 | ||
| 13 | Q | 54.6 | Low | 66.8 | Low | 168 Ų | 168 | 96.5 Ų | 96.5 | 79% | 0.785 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -11.7 | -168.9 | -86.1 | 175.6 | -4 | 0 | 0 | 115.8 | N11 | N11-Q13 PolarHBondContact O-N 3.18Š|
| 14 | N | 65.9 | Low | 69.2 | Low | 58 Ų | 58 | 91.7 Ų | 91.7 | 31% | 0.31 | 48% | 0.481 | S | S | . | . | trans | -121.2 | 77.9 | -177.8 | -65.1 | 32 | 0 | 0 | 0 | 109.2 | R50 E122 | N14-R50 PolarHBondContact O-NH2 3.43Å; N14-E122 WeakPolarHBondContact CB-OE2 3.48Å; N14-E122 PolarHBondContact ND2-OE2 3.42Å | ||
| 15 | W | 76.4 | Confident | 71.6 | Confident | 128 Ų | 128 | 92.6 Ų | 92.6 | 49% | 0.485 | 47% | 0.473 | S | S | . | . | trans | -90.6 | 139.8 | 166.9 | -61.8 | -14.4 | 0 | 0 | 0 | 109.7 | D17 Y41 | W15-D17 PolarHBondContact O-N 3.47Å; W15-Y41 HydrophobicContact CB-CD1 3.7Å; W15-Y41 HydrophobicContact CB-CE1 3.16Å; W15-Y41 HydrophobicContact CD2-CD1 4.45Å; W15-Y41 HydrophobicContact CD2-CE1 4.45Å; W15-Y41 HydrophobicContact CE3-CD1 4.22Å; W15-Y41 AromaticContact CE3-CD2 3.74Å; W15-Y41 HydrophobicContact CE3-CD2 3.74Å; W15-Y41 HydrophobicContact CE3-CE1 4.2Å; W15-Y41 AromaticContact CE3-CE2 3.66Å; W15-Y41 HydrophobicContact CE3-CE2 3.66Å; W15-Y41 AromaticContact CE3-CG 3.99Å; W15-Y41 HydrophobicContact CE3-CG 3.99Å; W15-Y41 AromaticContact CE3-CZ 3.88Å; W15-Y41 HydrophobicContact CG-CD1 4.32Å; W15-Y41 HydrophobicContact CG-CE1 4.14Å; W15-Y41 HydrophobicContact CZ3-CD2 4.17Å; W15-Y41 HydrophobicContact CZ3-CE2 4.33Å | ||
| 16 | E | 77.6 | Confident | 73.8 | Confident | 19 Ų | 19 | 86.4 Ų | 86.4 | 9% | 0.089 | 44% | 0.442 | C | S | . | . | trans | -83.4 | 115.7 | -175.8 | -172.7 | -91.8 | 178.9 | 0 | 0 | 110.9 | A18 Y41 F52 T53 Q72 | E16-A18 WeakPolarHBondContact OE1-CB 3.5Å; E16-Y41 VanDerWaalsContact O-CE1 3.25Å; E16-Y41 WeakPolarHBondContact O-CE1 3.47Å; E16-F52 HydrophobicContact CB-CB 4.23Å; E16-F52 WeakPolarHBondContact OE2-CB 3.36Å; E16-T53 PolarHBondContact O-N 2.9Å; E16-T53 PolarHBondContact O-OG1 3.14Å; E16-T53 PolarHBondContact OE2-N 3.43Å; E16-Q72 HydrophobicContact CG-CB 4.49Å; E16-Q72 WeakPolarHBondContact OE1-CB 3.49Å | ||
| 17 | D | 84.1 | Confident | 76.1 | Confident | 73 Ų | 73 | 83.4 Ų | 83.4 | 39% | 0.39 | 41% | 0.41 | S | S | . | . | trans | -116.2 | 96 | 170.3 | -166.2 | -3 | 0 | 0 | 0 | 108.7 | W15 K38 K40 | W15-D17 PolarHBondContact O-N 3.47Å; D17-K38 WeakPolarHBondContact OD1-CE 3.27Å; D17-K38 IonicContact OD1-NZ 2.78Å; D17-K38 PolarHBondContact OD1-NZ 3.3Å; D17-K40 IonicContact OD1-NZ 3.74Å; D17-K40 WeakPolarHBondContact OD2-CE 3.49Å; D17-K40 IonicContact OD2-NZ 2.73Å; D17-K40 PolarHBondContact OD2-NZ 3.1Å | ||
| 18 | A | 84.2 | Confident | 78.2 | Confident | 11 Ų | 11 | 79.3 Ų | 79.3 | 9% | 0.091 | 38% | 0.379 | C | S | . | . | trans | -106 | 153.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111 | E16 K38 F55 | E16-A18 WeakPolarHBondContact OE1-CB 3.5Å; A18-K38 WeakPolarHBondContact O-CE 3.35Å; A18-K38 PolarHBondContact O-NZ 3.25Å; A18-F55 WeakPolarHBondContact O-CZ 3.31Å | ||
| 19 | D | 90 | Very high | 80.3 | Confident | 132 Ų | 132 | 75.5 Ų | 75.5 | 71% | 0.706 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -89.7 | -28.9 | 179.2 | -70.2 | -32.9 | 0 | 0 | 0 | 113.9 | K38 F55 | D19-K38 IonicContact OD1-NZ 2.73Å; D19-K38 PolarHBondContact OD1-NZ 3.27Å; D19-F55 VanDerWaalsContact O-CE1 3.28Å; D19-F55 WeakPolarHBondContact O-CE1 3.27Å; D19-F55 WeakPolarHBondContact O-CZ 3.23Å |
| 20 | F | 93.4 | Very high | 82.1 | Confident | 119 Ų | 119 | 75.7 Ų | 75.7 | 52% | 0.522 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -139.5 | 138.3 | -179.5 | -161.6 | -98.8 | 0 | 0 | 0 | 112.5 | M36 Q72 | F20-M36 HydrophobicContact CD2-CE 4.47Å; F20-M36 HydrophobicContact CD2-SD 4.27Å; F20-M36 HydrophobicContact CE2-CE 3.59Å; F20-M36 HydrophobicContact CE2-SD 3.94Å; F20-M36 HydrophobicContact CZ-CE 4.05Å; F20-Q72 PolarHBondContact O-NE2 3.18Å |
| 21 | P | 95.3 | Very high | 84.3 | Confident | 4 Ų | 4 | 69.2 Ų | 69.2 | 3% | 0.026 | 33% | 0.334 | C | S | . | . | trans | -77.7 | 153.1 | -178.8 | 31.8 | -35.8 | 0 | 0 | 0 | 112.9 | L23 F55 T68 Q82 | P21-L23 HydrophobicContact CB-CD1 4.02Å; P21-L23 HydrophobicContact CB-CD2 4.34Å; P21-L23 HydrophobicContact CB-CG 3.91Å; P21-L23 HydrophobicContact CG-CD1 3.58Å; P21-L23 HydrophobicContact CG-CG 3.98Å; P21-F55 HydrophobicContact CB-CB 4.16Å; P21-F55 HydrophobicContact CB-CD2 3.59Å; P21-F55 HydrophobicContact CB-CE2 4.12Å; P21-F55 HydrophobicContact CB-CG 3.92Å; P21-F55 HydrophobicContact CG-CB 3.92Å; P21-F55 HydrophobicContact CG-CD1 4.21Å; P21-F55 HydrophobicContact CG-CD2 3.94Å; P21-F55 HydrophobicContact CG-CE2 4.5Å; P21-F55 HydrophobicContact CG-CG 3.75Å; P21-T68 HydrophobicContact CB-CG2 3.71Å; P21-Q82 VanDerWaalsContact CA-OE1 3.28Å | ||
| 22 | I | 95.5 | Very high | 86.2 | Confident | 36 Ų | 36 | 70.4 Ų | 70.4 | 19% | 0.185 | 35% | 0.346 | C | S | . | . | trans | -90.5 | 106.3 | 173.3 | -59.7 | 176.5 | 0 | 0 | 0 | 109 | Q72 S75 K76 Q82 L88 | I22-Q72 HydrophobicContact CD1-CG 3.39Å; I22-Q72 HydrophobicContact CG1-CG 3.92Å; I22-S75 WeakPolarHBondContact CG2-OG 3.32Å; I22-K76 HydrophobicContact CD1-CD 4.43Å; I22-K76 HydrophobicContact CD1-CG 3.73Å; I22-Q82 HydrophobicContact CB-CG 4.24Å; I22-Q82 VanDerWaalsContact N-OE1 3.12Å; I22-Q82 WeakPolarHBondContact O-CG 3.34Å; I22-Q82 PolarHBondContact O-N 3.26Å; I22-L88 HydrophobicContact CG2-CD1 3.37Å; I22-L88 HydrophobicContact CG2-CD2 4.2Å; I22-L88 HydrophobicContact CG2-CG 4.38Å | ||
| 23 | L | 95.8 | Very high | 88.2 | Confident | 26 Ų | 26 | 71.5 Ų | 71.5 | 14% | 0.136 | 35% | 0.352 | C | S | . | . | trans | -132.1 | 152.5 | -171.6 | -59.9 | 174.8 | 0 | 0 | 0 | 112.6 | P21 L28 W57 T68 Q82 | P21-L23 HydrophobicContact CB-CD1 4.02Å; P21-L23 HydrophobicContact CB-CD2 4.34Å; P21-L23 HydrophobicContact CB-CG 3.91Å; P21-L23 HydrophobicContact CG-CD1 3.58Å; P21-L23 HydrophobicContact CG-CG 3.98Å; L23-L28 HydrophobicContact CD1-CD1 4.02Å; L23-W57 HydrophobicContact CD1-CD2 4.42Å; L23-W57 HydrophobicContact CD1-CE3 4.31Å; L23-W57 HydrophobicContact CD1-CH2 3.36Å; L23-W57 HydrophobicContact CD1-CZ2 3.44Å; L23-W57 VanDerWaalsContact CD1-CZ2 3.44Å; L23-W57 HydrophobicContact CD1-CZ3 3.82Å; L23-W57 HydrophobicContact CD2-CH2 3.41Å; L23-W57 VanDerWaalsContact CD2-CH2 3.41Å; L23-W57 HydrophobicContact CD2-CZ2 3.87Å; L23-W57 HydrophobicContact CD2-CZ3 4.31Å; L23-W57 HydrophobicContact CG-CH2 4.03Å; L23-W57 HydrophobicContact CG-CZ2 4.27Å; L23-T68 HydrophobicContact CD2-CG2 4.34Å; L23-Q82 HydrophobicContact CD2-CB 4.34Å | ||
| 24 | C | 95.1 | Very high | 90.1 | Very high | 21 Ų | 21 | 65.7 Ų | 65.7 | 14% | 0.142 | 33% | 0.325 | C | S | . | . | trans | -91 | 156 | 169.3 | 73.6 | 0 | 0 | 0 | 0 | 112 | T26 C27 L28 C81 C84 L88 | C24-T26 VanDerWaalsContact C-N 3.28Å; C24-T26 PolarHBondContact O-N 3.2Å; C24-C27 PolarHBondContact O-N 3.07Å; C24-C27 PolarHBondContact SG-SG 3.27Å; C24-L28 PolarHBondContact O-N 3.28Å; C24-C81 HydrophobicContact CB-CB 4.1Å; C24-C81 PolarHBondContact N-SG 2.77Å; C24-C81 VanDerWaalsContact N-SG 3.44Å; C24-C84 VanDerWaalsContact SG-SG 3.62Å; C24-L88 HydrophobicContact CB-CD2 4.3Å | ||
| 25 | Q | 93.8 | Very high | 91.4 | Very high | 137 Ų | 137 | 74 Ų | 74 | 64% | 0.64 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -54.8 | -41.3 | -178.2 | -61.2 | -57.6 | -24.6 | 0 | 0 | 112.9 | C27 L28 G29 | Q25-C27 VanDerWaalsContact C-N 3.28Å; Q25-C27 PolarHBondContact O-N 3.42Å; Q25-L28 PolarHBondContact O-N 3.21Å; Q25-G29 PolarHBondContact O-N 3.28Å; Q25-G29 VanDerWaalsContact O-N 3.12Å |
| 26 | T | 94.8 | Very high | 92.4 | Very high | 24 Ų | 24 | 70.9 Ų | 70.9 | 15% | 0.147 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.7 | -36.4 | 176.8 | -61.4 | 0 | 0 | 0 | 0 | 112.2 | C24 P155 Y156 Y157 N160 | C24-T26 VanDerWaalsContact C-N 3.28Å; C24-T26 PolarHBondContact O-N 3.2Å; T26-P155 WeakPolarHBondContact OG1-CA 3.49Å; T26-Y156 VanDerWaalsContact CG2-C 3.47Å; T26-Y156 VanDerWaalsContact CG2-O 3.24Å; T26-Y156 WeakPolarHBondContact CG2-O 3.31Å; T26-Y156 PolarHBondContact OG1-N 3.16Å; T26-Y157 HydrophobicContact CG2-CD1 4.35Å; T26-N160 PolarHBondContact O-ND2 2.83Å; T26-N160 PolarHBondContact O-OD1 3.07Å |
| 27 | C | 94.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -80.5 | -32.3 | -179.5 | -68.5 | 0 | 0 | 0 | 0 | 113 | C24 Q25 W57 K66 C84 | C24-C27 PolarHBondContact O-N 3.07Å; C24-C27 PolarHBondContact SG-SG 3.27Å; Q25-C27 VanDerWaalsContact C-N 3.28Å; Q25-C27 PolarHBondContact O-N 3.42Å; C27-W57 PolarHBondContact O-NE1 2.79Å; C27-K66 VanDerWaalsContact CB-NZ 3.34Å; C27-K66 PolarHBondContact SG-NZ 3.14Å; C27-C84 WeakPolarHBondContact SG-CB 3.43Å |
| 28 | L | 94.9 | Very high | 93.8 | Very high | 34 Ų | 34 | 74.1 Ų | 74.1 | 18% | 0.178 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.2 | -44.6 | -179.2 | -170.7 | 57.4 | 0 | 0 | 0 | 110.3 | L23 C24 Q25 I34 W57 P59 | L23-L28 HydrophobicContact CD1-CD1 4.02Å; C24-L28 PolarHBondContact O-N 3.28Å; Q25-L28 PolarHBondContact O-N 3.21Å; L28-I34 HydrophobicContact CB-CD1 4.42Å; L28-I34 HydrophobicContact CD1-CD1 3.36Å; L28-I34 HydrophobicContact CD2-CD1 4.1Å; L28-I34 HydrophobicContact CG-CD1 3.29Å; L28-I34 WeakPolarHBondContact O-CD1 3.25Å; L28-W57 PolarHBondContact O-NE1 2.91Å; L28-P59 WeakPolarHBondContact O-CA 3.33Å |
| 29 | G | 93.1 | Very high | 94.3 | Very high | 9 Ų | 9 | 78.5 Ų | 78.5 | 9% | 0.093 | 38% | 0.38 | C | S | . | . | trans | 134.6 | -175.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q25 P59 Y157 | Q25-G29 PolarHBondContact O-N 3.28Å; Q25-G29 VanDerWaalsContact O-N 3.12Å; G29-P59 WeakPolarHBondContact CA-O 3.39Å; G29-Y157 PolarHBondContact O-OH 3.37Å | ||
| 30 | E | 91.9 | Very high | 94.5 | Very high | 116 Ų | 116 | 78 Ų | 78 | 54% | 0.542 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -93.7 | -20.3 | 170.2 | 67.3 | -166.4 | 172.9 | 0 | 0 | 112 | P32 P59 Y157 | E30-P32 WeakPolarHBondContact O-CD 3.42Å; E30-P59 PolarHBondContact N-O 3.47Å; E30-Y157 WeakPolarHBondContact CA-OH 3.48Å; E30-Y157 HydrophobicContact CB-CE1 4.37Å; E30-Y157 HydrophobicContact CB-CE2 3.9Å |
| 31 | N | 92.3 | Very high | 94.3 | Very high | 78 Ų | 78 | 76.2 Ų | 76.2 | 42% | 0.417 | 36% | 0.362 | S | S | . | . | trans | -80.9 | 122.8 | -179.4 | -170.1 | -10.8 | 0 | 0 | 0 | 110.7 | Y33 I34 | N31-Y33 VanDerWaalsContact CG-O 3.3Å; N31-Y33 PolarHBondContact ND2-O 3.47Å; N31-Y33 PolarHBondContact O-N 3.05Å; N31-Y33 PolarHBondContact OD1-N 3.43Å; N31-Y33 PolarHBondContact OD1-O 3.26Å; N31-I34 WeakPolarHBondContact O-CD1 3.3Å; N31-I34 VanDerWaalsContact O-CG1 3.27Å; N31-I34 WeakPolarHBondContact O-CG1 3.39Å | ||
| 32 | P | 94.2 | Very high | 94 | Very high | 112 Ų | 112 | 77.3 Ų | 77.3 | 73% | 0.727 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -63.9 | -25.8 | 173.8 | -22.4 | 34.7 | 0 | 0 | 0 | 113.7 | E30 | E30-P32 WeakPolarHBondContact O-CD 3.42Š|
| 33 | Y | 94.1 | Very high | 93.9 | Very high | 197 Ų | 197 | 79.7 Ų | 79.7 | 77% | 0.773 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -101.3 | 106.9 | -178.4 | -56.9 | -75.9 | 0 | 0 | 0 | 110.5 | N31 | N31-Y33 VanDerWaalsContact CG-O 3.3Å; N31-Y33 PolarHBondContact ND2-O 3.47Å; N31-Y33 PolarHBondContact O-N 3.05Å; N31-Y33 PolarHBondContact OD1-N 3.43Å; N31-Y33 PolarHBondContact OD1-O 3.26Å |
| 34 | I | 94.6 | Very high | 93.7 | Very high | 46 Ų | 46 | 83.8 Ų | 83.8 | 24% | 0.236 | 40% | 0.401 | C | S | . | . | trans | -119 | 134.2 | -172.3 | -59.7 | 174.5 | 0 | 0 | 0 | 110.3 | L28 N31 M36 W57 | L28-I34 HydrophobicContact CB-CD1 4.42Å; L28-I34 HydrophobicContact CD1-CD1 3.36Å; L28-I34 HydrophobicContact CD2-CD1 4.1Å; L28-I34 HydrophobicContact CG-CD1 3.29Å; L28-I34 WeakPolarHBondContact O-CD1 3.25Å; N31-I34 WeakPolarHBondContact O-CD1 3.3Å; N31-I34 VanDerWaalsContact O-CG1 3.27Å; N31-I34 WeakPolarHBondContact O-CG1 3.39Å; I34-M36 HydrophobicContact CG2-CE 4.42Å; I34-W57 HydrophobicContact CG2-CB 3.88Å; I34-W57 HydrophobicContact CG2-CG 4.29Å | ||
| 35 | R | 94.8 | Very high | 93.6 | Very high | 232 Ų | 232 | 82.9 Ų | 82.9 | 88% | 0.875 | 40% | 0.395 | S | S | * | . | trans | -99.7 | 124 | 168.3 | -62.6 | -175.4 | -66.2 | 170.4 | -1.1 | 108.5 | ||||
| 36 | M | 96 | Very high | 93.5 | Very high | 62 Ų | 62 | 80.4 Ų | 80.4 | 31% | 0.305 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 147.2 | 177.2 | 65.1 | 178.2 | 67.1 | 0 | 0 | 111 | F20 I34 F55 R56 W57 | F20-M36 HydrophobicContact CD2-CE 4.47Å; F20-M36 HydrophobicContact CD2-SD 4.27Å; F20-M36 HydrophobicContact CE2-CE 3.59Å; F20-M36 HydrophobicContact CE2-SD 3.94Å; F20-M36 HydrophobicContact CZ-CE 4.05Å; I34-M36 HydrophobicContact CG2-CE 4.42Å; M36-F55 HydrophobicContact SD-CD1 4.07Å; M36-R56 CarbonylContact C-O 3.56Å; M36-R56 VanDerWaalsContact CA-O 3.3Å; M36-R56 WeakPolarHBondContact CA-O 3.27Å; M36-W57 HydrophobicContact CB-CB 3.94Å |
| 37 | T | 96.1 | Very high | 93.4 | Very high | 83 Ų | 83 | 79.7 Ų | 79.7 | 51% | 0.509 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 131.7 | 172.4 | 57.8 | 0 | 0 | 0 | 0 | 109.2 | F55 R56 | T37-F55 WeakPolarHBondContact O-CA 3.36Å; T37-R56 PolarHBondContact N-O 3.48Å; T37-R56 PolarHBondContact O-N 2.96Å; T37-R56 PolarHBondContact OG1-O 3.42Å |
| 38 | K | 96.3 | Very high | 93.1 | Very high | 77 Ų | 77 | 79.8 Ų | 79.8 | 34% | 0.335 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 119.2 | 172.3 | -179.7 | 178.3 | 173.6 | 173 | 0 | 108.7 | D17 A18 D19 T53 F55 | D17-K38 WeakPolarHBondContact OD1-CE 3.27Å; D17-K38 IonicContact OD1-NZ 2.78Å; D17-K38 PolarHBondContact OD1-NZ 3.3Å; A18-K38 WeakPolarHBondContact O-CE 3.35Å; A18-K38 PolarHBondContact O-NZ 3.25Å; D19-K38 IonicContact OD1-NZ 2.73Å; D19-K38 PolarHBondContact OD1-NZ 3.27Å; K38-T53 HydrophobicContact CD-CG2 4.18Å; K38-T53 HydrophobicContact CG-CG2 3.61Å; K38-F55 HydrophobicContact CB-CD1 4.23Å; K38-F55 HydrophobicContact CB-CE1 3.97Å; K38-F55 HydrophobicContact CD-CE1 4.1Å; K38-F55 HydrophobicContact CD-CZ 4.33Å; K38-F55 HydrophobicContact CG-CD1 4.45Å; K38-F55 HydrophobicContact CG-CE1 3.83Å; K38-F55 HydrophobicContact CG-CZ 4.23Å |
| 39 | E | 94.7 | Very high | 92.8 | Very high | 104 Ų | 104 | 80.5 Ų | 80.5 | 49% | 0.486 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 108.5 | 174.9 | -174.3 | -178.2 | -178.7 | 0 | 0 | 108.5 | Y41 V54 | E39-Y41 PolarHBondContact O-N 2.78Å; E39-V54 HydrophobicContact CB-CB 4.42Å; E39-V54 PolarHBondContact N-O 3.36Å; E39-V54 PolarHBondContact O-N 3.07Å |
| 40 | K | 92.8 | Very high | 92.6 | Very high | 120 Ų | 120 | 82.3 Ų | 82.3 | 52% | 0.522 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 126.8 | -179.8 | -65.2 | -164.4 | 176.9 | -155 | 0 | 109.8 | D17 G42 | D17-K40 IonicContact OD1-NZ 3.74Å; D17-K40 WeakPolarHBondContact OD2-CE 3.49Å; D17-K40 IonicContact OD2-NZ 2.73Å; D17-K40 PolarHBondContact OD2-NZ 3.1Å; K40-G42 PolarHBondContact O-N 2.71Å; K40-G42 VanDerWaalsContact O-N 3.16Å |
| 41 | Y | 89.3 | Confident | 92.6 | Very high | 83 Ų | 83 | 79 Ų | 79 | 33% | 0.325 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 54.2 | 31.1 | 177.7 | -44.5 | -54.8 | 0 | 0 | 0 | 114.8 | W15 E16 E39 K43 F52 | W15-Y41 HydrophobicContact CB-CD1 3.7Å; W15-Y41 HydrophobicContact CB-CE1 3.16Å; W15-Y41 HydrophobicContact CD2-CD1 4.45Å; W15-Y41 HydrophobicContact CD2-CE1 4.45Å; W15-Y41 HydrophobicContact CE3-CD1 4.22Å; W15-Y41 AromaticContact CE3-CD2 3.74Å; W15-Y41 HydrophobicContact CE3-CD2 3.74Å; W15-Y41 HydrophobicContact CE3-CE1 4.2Å; W15-Y41 AromaticContact CE3-CE2 3.66Å; W15-Y41 HydrophobicContact CE3-CE2 3.66Å; W15-Y41 AromaticContact CE3-CG 3.99Å; W15-Y41 HydrophobicContact CE3-CG 3.99Å; W15-Y41 AromaticContact CE3-CZ 3.88Å; W15-Y41 HydrophobicContact CG-CD1 4.32Å; W15-Y41 HydrophobicContact CG-CE1 4.14Å; W15-Y41 HydrophobicContact CZ3-CD2 4.17Å; W15-Y41 HydrophobicContact CZ3-CE2 4.33Å; E16-Y41 VanDerWaalsContact O-CE1 3.25Å; E16-Y41 WeakPolarHBondContact O-CE1 3.47Å; E39-Y41 PolarHBondContact O-N 2.78Å; Y41-K43 PolarHBondContact O-N 2.79Å; Y41-F52 VanDerWaalsContact CA-O 3.32Å; Y41-F52 WeakPolarHBondContact CA-O 3.46Å; Y41-F52 PolarHBondContact N-O 2.86Å |
| 42 | G | 89.3 | Confident | 92.6 | Very high | 27 Ų | 27 | 75.4 Ų | 75.4 | 28% | 0.278 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | -29.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | K40 F52 | K40-G42 PolarHBondContact O-N 2.71Å; K40-G42 VanDerWaalsContact O-N 3.16Å; G42-F52 PolarHBondContact N-O 3.16Å |
| 43 | K | 92.6 | Very high | 92.6 | Very high | 86 Ų | 86 | 70.1 Ų | 70.1 | 37% | 0.374 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 156.8 | -178.4 | -63.2 | -173.8 | -176.4 | -167.7 | 0 | 112.2 | Y41 P51 F52 V54 | Y41-K43 PolarHBondContact O-N 2.79Å; K43-P51 WeakPolarHBondContact O-CA 3.42Å; K43-F52 HydrophobicContact CB-CE1 4.35Å; K43-F52 WeakPolarHBondContact O-CD1 3.15Å; K43-F52 PolarHBondContact O-N 3.38Å; K43-V54 HydrophobicContact CB-CG2 3.68Å; K43-V54 HydrophobicContact CD-CG2 4.4Å; K43-V54 HydrophobicContact CG-CG2 3.9Å |
| 44 | E | 92.1 | Very high | 92.7 | Very high | 112 Ų | 112 | 60.9 Ų | 60.9 | 52% | 0.523 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 142.9 | 166.3 | 61.7 | 179.7 | -172.7 | 0 | 0 | 111.7 | ||
| 45 | C | 92.6 | Very high | 92.8 | Very high | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.014 | 28% | 0.282 | C | S | . | . | trans | -65.5 | 135.1 | 174.2 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | I47 C48 A49 R50 F52 C71 | C45-I47 PolarHBondContact O-N 2.82Å; C45-I47 VanDerWaalsContact O-N 3.09Å; C45-I47 PolarHBondContact SG-N 2.78Å; C45-C48 WeakPolarHBondContact CB-SG 3.49Å; C45-C48 PolarHBondContact SG-SG 2.99Å; C45-A49 WeakPolarHBondContact O-CA 3.45Å; C45-A49 PolarHBondContact O-N 2.89Å; C45-R50 WeakPolarHBondContact CB-O 3.44Å; C45-R50 PolarHBondContact N-O 3.45Å; C45-F52 HydrophobicContact CB-CD1 3.97Å; C45-F52 HydrophobicContact CB-CE1 4.26Å; C45-C71 HydrophobicContact CB-CB 4.16Å; C45-C71 PolarHBondContact SG-N 3.3Å; C45-C71 VanDerWaalsContact SG-N 3.38Å | ||
| 46 | K | 92.6 | Very high | 93 | Very high | 85 Ų | 85 | 53.2 Ų | 53.2 | 37% | 0.37 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -9.7 | -179.4 | -60.9 | -57.5 | 178.2 | -167.1 | 0 | 115.4 | E69 I198 | K46-E69 HydrophobicContact CG-CB 4.49Å; K46-E69 WeakPolarHBondContact CG-O 3.17Å; K46-E69 PolarHBondContact N-O 3.44Å; K46-I198 HydrophobicContact CB-CD1 3.89Å; K46-I198 HydrophobicContact CB-CG2 4.06Å; K46-I198 HydrophobicContact CG-CD1 4Å |
| 47 | I | 92.3 | Very high | 93 | Very high | 8 Ų | 8 | 50.3 Ų | 50.3 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -61.5 | 179.5 | -54.2 | -55 | 0 | 0 | 0 | 111.2 | C45 V70 K199 Y202 | C45-I47 PolarHBondContact O-N 2.82Å; C45-I47 VanDerWaalsContact O-N 3.09Å; C45-I47 PolarHBondContact SG-N 2.78Å; I47-V70 HydrophobicContact CG1-CG1 3.79Å; I47-K199 HydrophobicContact CD1-CG 4.29Å; I47-Y202 HydrophobicContact CB-CD1 4.39Å; I47-Y202 HydrophobicContact CB-CE1 4.44Å; I47-Y202 VanDerWaalsContact CD1-CB 3.47Å; I47-Y202 HydrophobicContact CD1-CD1 3.78Å; I47-Y202 HydrophobicContact CD1-CD2 4.22Å; I47-Y202 HydrophobicContact CD1-CG 3.54Å; I47-Y202 HydrophobicContact CG1-CD1 3.83Å; I47-Y202 HydrophobicContact CG1-CD2 3.95Å; I47-Y202 HydrophobicContact CG1-CE1 4.21Å; I47-Y202 HydrophobicContact CG1-CE2 4.31Å; I47-Y202 HydrophobicContact CG1-CG 3.69Å; I47-Y202 HydrophobicContact CG2-CD1 3.67Å; I47-Y202 HydrophobicContact CG2-CE1 3.56Å; I47-Y202 HydrophobicContact CG2-CG 4.42Å |
| 48 | C | 88.3 | Confident | 92.9 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.02 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -2.9 | -175.8 | 65.2 | 0 | 0 | 0 | 0 | 114.5 | C45 R50 C71 T118 | C45-C48 WeakPolarHBondContact CB-SG 3.49Å; C45-C48 PolarHBondContact SG-SG 2.99Å; C48-R50 PolarHBondContact O-N 2.83Å; C48-C71 VanDerWaalsContact SG-SG 3.61Å; C48-T118 HydrophobicContact CB-CG2 3.99Å |
| 49 | A | 89.5 | Confident | 92.8 | Very high | 48 Ų | 48 | 45 Ų | 45 | 40% | 0.397 | 22% | 0.222 | S | C | . | . | trans | 57.1 | 9 | -177 | 0 | 0 | 0 | 0 | 0 | 115.3 | C45 | C45-A49 WeakPolarHBondContact O-CA 3.45Å; C45-A49 PolarHBondContact O-N 2.89Å | ||
| 50 | R | 87.9 | Confident | 92.7 | Very high | 47 Ų | 47 | 40.8 Ų | 40.8 | 18% | 0.177 | 21% | 0.205 | C | C | . | . | trans | -84.1 | 139.5 | 177.9 | -67.5 | 171.9 | 61.4 | -168.6 | -14.2 | 110.7 | N14 C45 C48 E122 | N14-R50 PolarHBondContact O-NH2 3.43Å; C45-R50 WeakPolarHBondContact CB-O 3.44Å; C45-R50 PolarHBondContact N-O 3.45Å; C48-R50 PolarHBondContact O-N 2.83Å; R50-E122 IonicContact CZ-OE1 2.76Å; R50-E122 IonicContact CZ-OE2 3.07Å; R50-E122 IonicContact NH1-OE1 2.89Å; R50-E122 IonicContact NH1-OE2 3.73Å; R50-E122 PolarHBondContact NH1-OE2 2.81Å; R50-E122 IonicContact NH2-OE1 2.81Å; R50-E122 PolarHBondContact NH2-OE1 2.94Å; R50-E122 IonicContact NH2-OE2 3.93Å; R50-E122 PolarHBondContact NH2-OE2 2.93Å | ||
| 51 | P | 91.5 | Very high | 92.5 | Very high | 48 Ų | 48 | 40.9 Ų | 40.9 | 31% | 0.312 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 139.9 | 172.7 | -22.8 | 33.6 | 0 | 0 | 0 | 111.7 | K43 | K43-P51 WeakPolarHBondContact O-CA 3.42Å |
| 52 | F | 93.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 168.6 | -179.7 | 76.5 | -77.8 | 0 | 0 | 0 | 111.6 | E16 Y41 G42 K43 C45 V54 T68 V70 C71 | E16-F52 HydrophobicContact CB-CB 4.23Å; E16-F52 WeakPolarHBondContact OE2-CB 3.36Å; Y41-F52 VanDerWaalsContact CA-O 3.32Å; Y41-F52 WeakPolarHBondContact CA-O 3.46Å; Y41-F52 PolarHBondContact N-O 2.86Å; G42-F52 PolarHBondContact N-O 3.16Å; K43-F52 HydrophobicContact CB-CE1 4.35Å; K43-F52 WeakPolarHBondContact O-CD1 3.15Å; K43-F52 PolarHBondContact O-N 3.38Å; C45-F52 HydrophobicContact CB-CD1 3.97Å; C45-F52 HydrophobicContact CB-CE1 4.26Å; F52-V54 HydrophobicContact CE1-CG2 4.46Å; F52-V54 HydrophobicContact CE2-CG2 4.3Å; F52-V54 HydrophobicContact CZ-CG2 4.14Å; F52-V54 PolarHBondContact O-N 3.32Å; F52-T68 WeakPolarHBondContact CE2-OG1 3.5Å; F52-V70 WeakPolarHBondContact CE2-O 3.46Å; F52-C71 HydrophobicContact CB-CB 3.65Å; F52-C71 HydrophobicContact CD1-CB 4.48Å; F52-C71 HydrophobicContact CD2-CB 4.31Å; F52-C71 HydrophobicContact CG-CB 3.92Å |
| 53 | T | 94.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 121.6 | 178.4 | -63.2 | 0 | 0 | 0 | 0 | 111.1 | E16 K38 F55 | E16-T53 PolarHBondContact O-N 2.9Å; E16-T53 PolarHBondContact O-OG1 3.14Å; E16-T53 PolarHBondContact OE2-N 3.43Å; K38-T53 HydrophobicContact CD-CG2 4.18Å; K38-T53 HydrophobicContact CG-CG2 3.61Å; T53-F55 HydrophobicContact CG2-CD2 4.29Å; T53-F55 HydrophobicContact CG2-CE1 4.43Å; T53-F55 HydrophobicContact CG2-CE2 3.65Å; T53-F55 HydrophobicContact CG2-CZ 3.74Å |
| 54 | V | 96.3 | Very high | 92.6 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.024 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 124.3 | -179.4 | -177.5 | 0 | 0 | 0 | 0 | 109.8 | E39 K43 F52 K67 T68 | E39-V54 HydrophobicContact CB-CB 4.42Å; E39-V54 PolarHBondContact N-O 3.36Å; E39-V54 PolarHBondContact O-N 3.07Å; K43-V54 HydrophobicContact CB-CG2 3.68Å; K43-V54 HydrophobicContact CD-CG2 4.4Å; K43-V54 HydrophobicContact CG-CG2 3.9Å; F52-V54 HydrophobicContact CE1-CG2 4.46Å; F52-V54 HydrophobicContact CE2-CG2 4.3Å; F52-V54 HydrophobicContact CZ-CG2 4.14Å; F52-V54 PolarHBondContact O-N 3.32Å; V54-K67 HydrophobicContact CG1-CB 4.17Å; V54-T68 WeakPolarHBondContact CA-OG1 3.42Å |
| 55 | F | 97.3 | Very high | 92.7 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 134.2 | 170.6 | -63.1 | -89.7 | 0 | 0 | 0 | 108.7 | A18 D19 P21 M36 T37 K38 T53 W57 K67 T68 | A18-F55 WeakPolarHBondContact O-CZ 3.31Å; D19-F55 VanDerWaalsContact O-CE1 3.28Å; D19-F55 WeakPolarHBondContact O-CE1 3.27Å; D19-F55 WeakPolarHBondContact O-CZ 3.23Å; P21-F55 HydrophobicContact CB-CB 4.16Å; P21-F55 HydrophobicContact CB-CD2 3.59Å; P21-F55 HydrophobicContact CB-CE2 4.12Å; P21-F55 HydrophobicContact CB-CG 3.92Å; P21-F55 HydrophobicContact CG-CB 3.92Å; P21-F55 HydrophobicContact CG-CD1 4.21Å; P21-F55 HydrophobicContact CG-CD2 3.94Å; P21-F55 HydrophobicContact CG-CE2 4.5Å; P21-F55 HydrophobicContact CG-CG 3.75Å; M36-F55 HydrophobicContact SD-CD1 4.07Å; T37-F55 WeakPolarHBondContact O-CA 3.36Å; K38-F55 HydrophobicContact CB-CD1 4.23Å; K38-F55 HydrophobicContact CB-CE1 3.97Å; K38-F55 HydrophobicContact CD-CE1 4.1Å; K38-F55 HydrophobicContact CD-CZ 4.33Å; K38-F55 HydrophobicContact CG-CD1 4.45Å; K38-F55 HydrophobicContact CG-CE1 3.83Å; K38-F55 HydrophobicContact CG-CZ 4.23Å; T53-F55 HydrophobicContact CG2-CD2 4.29Å; T53-F55 HydrophobicContact CG2-CE1 4.43Å; T53-F55 HydrophobicContact CG2-CE2 3.65Å; T53-F55 HydrophobicContact CG2-CZ 3.74Å; F55-W57 HydrophobicContact CB-CE3 4.33Å; F55-W57 HydrophobicContact CB-CZ3 4.17Å; F55-W57 WeakPolarHBondContact O-CZ3 3.15Å; F55-K67 CarbonylContact O-C 3.58Å; F55-K67 WeakPolarHBondContact O-CA 3.5Å; F55-T68 HydrophobicContact CB-CG2 4.11Å; F55-T68 HydrophobicContact CD2-CG2 4.24Å; F55-T68 PolarHBondContact N-OG1 2.98Å; F55-T68 VanDerWaalsContact N-OG1 3.08Å; F55-T68 PolarHBondContact O-N 3.1Å; F55-T68 VanDerWaalsContact O-N 3.11Å |
| 56 | R | 96.9 | Very high | 92.9 | Very high | 113 Ų | 113 | 48.6 Ų | 48.6 | 43% | 0.426 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 129.2 | 177.4 | -173.9 | 176.5 | 176.7 | -91.3 | 1.7 | 110.6 | M36 T37 F65 K66 K67 | M36-R56 CarbonylContact C-O 3.56Å; M36-R56 VanDerWaalsContact CA-O 3.3Å; M36-R56 WeakPolarHBondContact CA-O 3.27Å; T37-R56 PolarHBondContact N-O 3.48Å; T37-R56 PolarHBondContact O-N 2.96Å; T37-R56 PolarHBondContact OG1-O 3.42Å; R56-F65 HydrophobicContact CG-CB 4.47Å; R56-F65 HydrophobicContact CG-CD1 4.5Å; R56-F65 VanDerWaalsContact NH2-CG 3.3Å; R56-K66 VanDerWaalsContact CA-O 3.32Å; R56-K66 WeakPolarHBondContact CA-O 3.34Å; R56-K67 HydrophobicContact CB-CB 4.33Å; R56-K67 HydrophobicContact CG-CB 4.38Å |
| 57 | W | 96.6 | Very high | 93 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 165.1 | -176.5 | 67.5 | 101 | 0 | 0 | 0 | 111.7 | L23 C27 L28 I34 M36 F55 F65 K66 T68 T83 | L23-W57 HydrophobicContact CD1-CD2 4.42Å; L23-W57 HydrophobicContact CD1-CE3 4.31Å; L23-W57 HydrophobicContact CD1-CH2 3.36Å; L23-W57 HydrophobicContact CD1-CZ2 3.44Å; L23-W57 VanDerWaalsContact CD1-CZ2 3.44Å; L23-W57 HydrophobicContact CD1-CZ3 3.82Å; L23-W57 HydrophobicContact CD2-CH2 3.41Å; L23-W57 VanDerWaalsContact CD2-CH2 3.41Å; L23-W57 HydrophobicContact CD2-CZ2 3.87Å; L23-W57 HydrophobicContact CD2-CZ3 4.31Å; L23-W57 HydrophobicContact CG-CH2 4.03Å; L23-W57 HydrophobicContact CG-CZ2 4.27Å; C27-W57 PolarHBondContact O-NE1 2.79Å; L28-W57 PolarHBondContact O-NE1 2.91Å; I34-W57 HydrophobicContact CG2-CB 3.88Å; I34-W57 HydrophobicContact CG2-CG 4.29Å; M36-W57 HydrophobicContact CB-CB 3.94Å; F55-W57 HydrophobicContact CB-CE3 4.33Å; F55-W57 HydrophobicContact CB-CZ3 4.17Å; F55-W57 WeakPolarHBondContact O-CZ3 3.15Å; W57-F65 WeakPolarHBondContact O-CA 3.44Å; W57-K66 HydrophobicContact CD2-CB 4.49Å; W57-K66 HydrophobicContact CH2-CB 4.37Å; W57-K66 HydrophobicContact CZ2-CB 3.87Å; W57-K66 PolarHBondContact N-O 3.23Å; W57-K66 PolarHBondContact O-N 3.12Å; W57-T68 HydrophobicContact CH2-CG2 4.38Å; W57-T68 HydrophobicContact CZ3-CG2 4.11Å; W57-T83 VanDerWaalsContact CH2-OG1 3.32Å; W57-T83 WeakPolarHBondContact CH2-OG1 3.37Å |
| 58 | C | 95 | Very high | 93.2 | Very high | 48 Ų | 48 | 47.2 Ų | 47.2 | 32% | 0.324 | 23% | 0.228 | S | C | . | . | trans | -106.3 | 115.9 | 171.6 | -168.4 | 0 | 0 | 0 | 0 | 109.3 | G60 F65 | C58-G60 VanDerWaalsContact C-N 3.28Å; C58-G60 PolarHBondContact O-N 2.93Å; C58-G60 PolarHBondContact SG-O 3.27Å; C58-F65 HydrophobicContact CB-CD1 4.07Å; C58-F65 HydrophobicContact CB-CE1 3.8Å; C58-F65 HydrophobicContact CB-CZ 4.22Å | ||
| 59 | P | 93.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | trans | -68.2 | -21.2 | -177.1 | -22.2 | 33 | 0 | 0 | 0 | 115.4 | L28 G29 E30 M63 R64 K66 N160 | L28-P59 WeakPolarHBondContact O-CA 3.33Å; G29-P59 WeakPolarHBondContact CA-O 3.39Å; E30-P59 PolarHBondContact N-O 3.47Å; P59-M63 HydrophobicContact CB-CB 4.36Å; P59-M63 HydrophobicContact CB-CG 4.49Å; P59-M63 HydrophobicContact CG-CB 4.47Å; P59-R64 VanDerWaalsContact CD-O 3.25Å; P59-R64 WeakPolarHBondContact CD-O 3.34Å; P59-K66 HydrophobicContact CG-CB 4.34Å; P59-K66 HydrophobicContact CG-CD 3.59Å; P59-K66 HydrophobicContact CG-CG 3.8Å; P59-N160 HydrophobicContact CB-CB 4.39Å; P59-N160 HydrophobicContact CG-CB 4.3Å | ||
| 60 | G | 91.4 | Very high | 93.8 | Very high | 14 Ų | 14 | 46.9 Ų | 46.9 | 14% | 0.144 | 22% | 0.218 | C | C | . | . | S | Bend | trans | 173.9 | -177.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | C58 M63 | C58-G60 VanDerWaalsContact C-N 3.28Å; C58-G60 PolarHBondContact O-N 2.93Å; C58-G60 PolarHBondContact SG-O 3.27Å; G60-M63 WeakPolarHBondContact O-CB 3.15Å; G60-M63 PolarHBondContact O-N 3.15Å |
| 61 | T | 88.5 | Confident | 94.1 | Very high | 123 Ų | 123 | 44.9 Ų | 44.9 | 76% | 0.755 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | 134.2 | -179.8 | -48.5 | 0 | 0 | 0 | 0 | 110.1 | M63 | T61-M63 PolarHBondContact O-N 3.16Š|
| 62 | R | 87.3 | Confident | 94.1 | Very high | 230 Ų | 230 | 44.4 Ų | 44.4 | 87% | 0.868 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 21.2 | -174.6 | -56.7 | 177.1 | -177.6 | 178.2 | -0.3 | 114.9 | P162 | R62-P162 WeakPolarHBondContact O-CD 3.32Š|
| 63 | M | 92.3 | Very high | 94 | Very high | 39 Ų | 39 | 45 Ų | 45 | 19% | 0.192 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -95.1 | 156.9 | 172.8 | -59.8 | -63.4 | 177.4 | 0 | 0 | 110.8 | P59 G60 T61 N160 | P59-M63 HydrophobicContact CB-CB 4.36Å; P59-M63 HydrophobicContact CB-CG 4.49Å; P59-M63 HydrophobicContact CG-CB 4.47Å; G60-M63 WeakPolarHBondContact O-CB 3.15Å; G60-M63 PolarHBondContact O-N 3.15Å; T61-M63 PolarHBondContact O-N 3.16Å; M63-N160 HydrophobicContact CB-CB 4.33Å; M63-N160 HydrophobicContact CG-CB 4.25Å; M63-N160 HydrophobicContact SD-CB 3.62Å |
| 64 | R | 93.9 | Very high | 93.9 | Very high | 80 Ų | 80 | 45 Ų | 45 | 30% | 0.302 | 21% | 0.209 | S | C | . | . | P | Polyproline II helix | trans | -75.6 | 147 | 171.8 | 81.3 | -178.9 | -178.8 | -142.6 | 12.7 | 110.2 | P59 K66 N160 R161 | P59-R64 VanDerWaalsContact CD-O 3.25Å; P59-R64 WeakPolarHBondContact CD-O 3.34Å; R64-K66 HydrophobicContact CG-CG 4.21Å; R64-K66 PolarHBondContact O-N 2.79Å; R64-N160 WeakPolarHBondContact CG-O 3.23Å; R64-N160 PolarHBondContact N-O 3.07Å; R64-R161 WeakPolarHBondContact CD-O 3.25Å; R64-R161 PolarHBondContact NH1-O 3.49Å |
| 65 | F | 94.8 | Very high | 93.7 | Very high | 117 Ų | 117 | 44.8 Ų | 44.8 | 51% | 0.513 | 21% | 0.208 | S | C | . | . | P | Polyproline II helix | trans | -60 | 122.6 | 165.3 | -76.5 | -88.7 | 0 | 0 | 0 | 109.6 | R56 W57 C58 | R56-F65 HydrophobicContact CG-CB 4.47Å; R56-F65 HydrophobicContact CG-CD1 4.5Å; R56-F65 VanDerWaalsContact NH2-CG 3.3Å; W57-F65 WeakPolarHBondContact O-CA 3.44Å; C58-F65 HydrophobicContact CB-CD1 4.07Å; C58-F65 HydrophobicContact CB-CE1 3.8Å; C58-F65 HydrophobicContact CB-CZ 4.22Å |
| 66 | K | 95.8 | Very high | 93.4 | Very high | 5 Ų | 5 | 46.6 Ų | 46.6 | 2% | 0.022 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 153.4 | 175.3 | -64.2 | -171.5 | 75 | 173 | 0 | 109.1 | C27 R56 W57 P59 R64 T83 N160 | C27-K66 VanDerWaalsContact CB-NZ 3.34Å; C27-K66 PolarHBondContact SG-NZ 3.14Å; R56-K66 VanDerWaalsContact CA-O 3.32Å; R56-K66 WeakPolarHBondContact CA-O 3.34Å; W57-K66 HydrophobicContact CD2-CB 4.49Å; W57-K66 HydrophobicContact CH2-CB 4.37Å; W57-K66 HydrophobicContact CZ2-CB 3.87Å; W57-K66 PolarHBondContact N-O 3.23Å; W57-K66 PolarHBondContact O-N 3.12Å; P59-K66 HydrophobicContact CG-CB 4.34Å; P59-K66 HydrophobicContact CG-CD 3.59Å; P59-K66 HydrophobicContact CG-CG 3.8Å; R64-K66 HydrophobicContact CG-CG 4.21Å; R64-K66 PolarHBondContact O-N 2.79Å; K66-T83 HydrophobicContact CB-CG2 4.49Å; K66-T83 VanDerWaalsContact CE-CG2 3.5Å; K66-N160 HydrophobicContact CD-CB 4.34Å; K66-N160 VanDerWaalsContact CD-OD1 3.29Å; K66-N160 WeakPolarHBondContact CD-OD1 3.47Å; K66-N160 PolarHBondContact NZ-OD1 3.25Å |
| 67 | K | 96.2 | Very high | 93 | Very high | 65 Ų | 65 | 41.7 Ų | 41.7 | 28% | 0.283 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 159.9 | 176.1 | 68.4 | -170.8 | -178.1 | -158.3 | 0 | 109.9 | V54 F55 R56 E69 T83 | V54-K67 HydrophobicContact CG1-CB 4.17Å; F55-K67 CarbonylContact O-C 3.58Å; F55-K67 WeakPolarHBondContact O-CA 3.5Å; R56-K67 HydrophobicContact CB-CB 4.33Å; R56-K67 HydrophobicContact CG-CB 4.38Å; K67-E69 WeakPolarHBondContact CE-OE1 3.32Å; K67-E69 WeakPolarHBondContact CG-OE1 3.49Å; K67-E69 IonicContact NZ-OE1 2.72Å; K67-T83 VanDerWaalsContact O-CG2 3.22Å; K67-T83 WeakPolarHBondContact O-CG2 3.45Å; K67-T83 PolarHBondContact O-OG1 3.07Å |
| 68 | T | 96.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -68.9 | 137.9 | 169.3 | 48.9 | 0 | 0 | 0 | 0 | 110.3 | P21 L23 F52 V54 F55 W57 Q82 | P21-T68 HydrophobicContact CB-CG2 3.71Å; L23-T68 HydrophobicContact CD2-CG2 4.34Å; F52-T68 WeakPolarHBondContact CE2-OG1 3.5Å; V54-T68 WeakPolarHBondContact CA-OG1 3.42Å; F55-T68 HydrophobicContact CB-CG2 4.11Å; F55-T68 HydrophobicContact CD2-CG2 4.24Å; F55-T68 PolarHBondContact N-OG1 2.98Å; F55-T68 VanDerWaalsContact N-OG1 3.08Å; F55-T68 PolarHBondContact O-N 3.1Å; F55-T68 VanDerWaalsContact O-N 3.11Å; W57-T68 HydrophobicContact CH2-CG2 4.38Å; W57-T68 HydrophobicContact CZ3-CG2 4.11Å; T68-Q82 HydrophobicContact CG2-CB 3.86Å | ||
| 69 | E | 95.4 | Very high | 92.5 | Very high | 43 Ų | 43 | 41.3 Ų | 41.3 | 20% | 0.201 | 19% | 0.192 | C | C | . | . | trans | -112.1 | -22.6 | -178.3 | -58.4 | -64.8 | 167.5 | 0 | 0 | 112.3 | K46 K67 Q82 I198 | K46-E69 HydrophobicContact CG-CB 4.49Å; K46-E69 WeakPolarHBondContact CG-O 3.17Å; K46-E69 PolarHBondContact N-O 3.44Å; K67-E69 WeakPolarHBondContact CE-OE1 3.32Å; K67-E69 WeakPolarHBondContact CG-OE1 3.49Å; K67-E69 IonicContact NZ-OE1 2.72Å; E69-Q82 PolarHBondContact N-O 3.09Å; E69-I198 HydrophobicContact CB-CD1 4.26Å | ||
| 70 | V | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -126 | 153.1 | 177.1 | -60.5 | 0 | 0 | 0 | 0 | 111.6 | I47 F52 C74 Q82 L85 | I47-V70 HydrophobicContact CG1-CG1 3.79Å; F52-V70 WeakPolarHBondContact CE2-O 3.46Å; V70-C74 HydrophobicContact CB-CB 4.25Å; V70-Q82 HydrophobicContact CG2-CB 4.25Å; V70-Q82 HydrophobicContact CG2-CG 4.35Å; V70-Q82 PolarHBondContact N-O 3.4Å; V70-L85 HydrophobicContact CB-CD2 4.38Å; V70-L85 HydrophobicContact CG1-CD2 3.74Å; V70-L85 HydrophobicContact CG2-CD2 3.68Å |
| 71 | C | 93.4 | Very high | 92.8 | Very high | 6 Ų | 6 | 40.6 Ų | 40.6 | 4% | 0.041 | 19% | 0.185 | C | C | . | . | trans | -69.1 | 162.7 | 177.9 | 69.9 | 0 | 0 | 0 | 0 | 112.4 | C45 C48 F52 T73 C74 S75 | C45-C71 HydrophobicContact CB-CB 4.16Å; C45-C71 PolarHBondContact SG-N 3.3Å; C45-C71 VanDerWaalsContact SG-N 3.38Å; C48-C71 VanDerWaalsContact SG-SG 3.61Å; F52-C71 HydrophobicContact CB-CB 3.65Å; F52-C71 HydrophobicContact CD1-CB 4.48Å; F52-C71 HydrophobicContact CD2-CB 4.31Å; F52-C71 HydrophobicContact CG-CB 3.92Å; C71-T73 VanDerWaalsContact C-N 3.29Å; C71-T73 PolarHBondContact O-N 2.83Å; C71-C74 PolarHBondContact O-N 2.79Å; C71-C74 PolarHBondContact SG-N 2.9Å; C71-C74 VanDerWaalsContact SG-N 3.36Å; C71-C74 PolarHBondContact SG-SG 2.95Å; C71-S75 PolarHBondContact O-N 3.41Å; C71-S75 VanDerWaalsContact O-N 3.08Å | ||
| 72 | Q | 91.5 | Very high | 93.1 | Very high | 38 Ų | 38 | 34.9 Ų | 34.9 | 18% | 0.178 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.8 | -34.9 | 178.8 | -155.9 | -174.2 | 64.5 | 0 | 0 | 112.7 | E16 F20 I22 S75 K76 Q82 | E16-Q72 HydrophobicContact CG-CB 4.49Å; E16-Q72 WeakPolarHBondContact OE1-CB 3.49Å; F20-Q72 PolarHBondContact O-NE2 3.18Å; I22-Q72 HydrophobicContact CD1-CG 3.39Å; I22-Q72 HydrophobicContact CG1-CG 3.92Å; Q72-S75 PolarHBondContact O-N 3.5Å; Q72-K76 HydrophobicContact CG-CD 4.18Å; Q72-K76 HydrophobicContact CG-CG 4.41Å; Q72-K76 WeakPolarHBondContact O-CB 3.13Å; Q72-K76 WeakPolarHBondContact O-CG 3.49Å; Q72-K76 PolarHBondContact O-N 2.96Å; Q72-Q82 VanDerWaalsContact CA-NE2 3.3Å |
| 73 | T | 90.9 | Very high | 93.5 | Very high | 13 Ų | 13 | 24.9 Ų | 24.9 | 8% | 0.08 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.9 | -50 | 173.8 | -42.4 | 0 | 0 | 0 | 0 | 111.8 | C71 S75 K76 M77 T118 E122 I125 | C71-T73 VanDerWaalsContact C-N 3.29Å; C71-T73 PolarHBondContact O-N 2.83Å; T73-S75 VanDerWaalsContact C-N 3.28Å; T73-S75 PolarHBondContact O-N 3.42Å; T73-K76 PolarHBondContact O-N 2.83Å; T73-M77 VanDerWaalsContact O-CG 3.32Å; T73-M77 WeakPolarHBondContact O-CG 3.33Å; T73-M77 PolarHBondContact O-N 2.8Å; T73-T118 HydrophobicContact CG2-CG2 4.43Å; T73-E122 HydrophobicContact CG2-CB 3.86Å; T73-E122 HydrophobicContact CG2-CG 4.36Å; T73-I125 HydrophobicContact CG2-CD1 3.82Å |
| 74 | C | 91.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.007 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.2 | -34.2 | 178.3 | -71.8 | 0 | 0 | 0 | 0 | 112.6 | V70 C71 M77 Y202 | V70-C74 HydrophobicContact CB-CB 4.25Å; C71-C74 PolarHBondContact O-N 2.79Å; C71-C74 PolarHBondContact SG-N 2.9Å; C71-C74 VanDerWaalsContact SG-N 3.36Å; C71-C74 PolarHBondContact SG-SG 2.95Å; C74-M77 HydrophobicContact CB-CE 4.34Å; C74-Y202 WeakPolarHBondContact CA-OH 3.48Å; C74-Y202 HydrophobicContact CB-CE2 4.25Å; C74-Y202 WeakPolarHBondContact O-CE2 3.36Å; C74-Y202 PolarHBondContact O-OH 3.46Å |
| 75 | S | 93.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -69.5 | -44.5 | 175.1 | 163.7 | 0 | 0 | 0 | 0 | 112.2 | I22 C71 Q72 T73 K78 N79 V80 | I22-S75 WeakPolarHBondContact CG2-OG 3.32Å; C71-S75 PolarHBondContact O-N 3.41Å; C71-S75 VanDerWaalsContact O-N 3.08Å; Q72-S75 PolarHBondContact O-N 3.5Å; T73-S75 VanDerWaalsContact C-N 3.28Å; T73-S75 PolarHBondContact O-N 3.42Å; S75-K78 CarbonylContact O-C 3.58Å; S75-K78 PolarHBondContact O-N 3.22Å; S75-N79 WeakPolarHBondContact O-CA 3.44Å; S75-N79 PolarHBondContact O-N 2.84Å; S75-V80 WeakPolarHBondContact CB-O 3.18Å; S75-V80 PolarHBondContact O-N 2.86Å; S75-V80 PolarHBondContact OG-O 3.23Å |
| 76 | K | 90.4 | Very high | 93.7 | Very high | 42 Ų | 42 | 15 Ų | 15 | 18% | 0.183 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -67.3 | -40.7 | 179.1 | -77.4 | 174.5 | 169.1 | 170.8 | 0 | 113.1 | I22 Q72 T73 K78 N79 I125 G130 | I22-K76 HydrophobicContact CD1-CD 4.43Å; I22-K76 HydrophobicContact CD1-CG 3.73Å; Q72-K76 HydrophobicContact CG-CD 4.18Å; Q72-K76 HydrophobicContact CG-CG 4.41Å; Q72-K76 WeakPolarHBondContact O-CB 3.13Å; Q72-K76 WeakPolarHBondContact O-CG 3.49Å; Q72-K76 PolarHBondContact O-N 2.96Å; T73-K76 PolarHBondContact O-N 2.83Å; K76-K78 PolarHBondContact O-N 3.38Å; K76-N79 PolarHBondContact O-N 3.46Å; K76-I125 HydrophobicContact CB-CD1 4.01Å; K76-I125 HydrophobicContact CD-CG2 3.81Å; K76-G130 WeakPolarHBondContact CE-O 3.28Å |
| 77 | M | 88.4 | Confident | 93.6 | Very high | 9 Ų | 9 | 14.8 Ų | 14.8 | 4% | 0.044 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -57.8 | -37.4 | 177.1 | -74.2 | -172.5 | -64.6 | 0 | 0 | 112.4 | T73 C74 Y117 M121 I125 | T73-M77 VanDerWaalsContact O-CG 3.32Å; T73-M77 WeakPolarHBondContact O-CG 3.33Å; T73-M77 PolarHBondContact O-N 2.8Å; C74-M77 HydrophobicContact CB-CE 4.34Å; M77-Y117 HydrophobicContact SD-CD1 4.47Å; M77-Y117 HydrophobicContact SD-CE1 4Å; M77-M121 HydrophobicContact CG-CB 4.07Å; M77-M121 HydrophobicContact CG-CE 4.25Å; M77-M121 HydrophobicContact CG-CG 4.36Å; M77-M121 HydrophobicContact SD-CB 3.51Å; M77-M121 VanDerWaalsContact SD-CB 3.51Å; M77-M121 HydrophobicContact SD-CG 3.63Å; M77-I125 HydrophobicContact CG-CD1 4.23Å |
| 78 | K | 89.7 | Confident | 93.4 | Very high | 3 Ų | 3 | 14.7 Ų | 14.7 | 1% | 0.013 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 8.9 | -175.6 | -75.7 | -69.3 | -166.4 | 175.7 | 0 | 113.5 | S75 K76 V80 I94 R97 D98 I107 L137 Y202 | S75-K78 CarbonylContact O-C 3.58Å; S75-K78 PolarHBondContact O-N 3.22Å; K76-K78 PolarHBondContact O-N 3.38Å; K78-V80 VanDerWaalsContact C-N 3.32Å; K78-V80 HydrophobicContact CB-CG1 4.22Å; K78-V80 HydrophobicContact CB-CG2 4.2Å; K78-V80 VanDerWaalsContact O-CG1 3.25Å; K78-V80 WeakPolarHBondContact O-CG1 3.27Å; K78-V80 PolarHBondContact O-N 3.36Å; K78-I94 HydrophobicContact CB-CD1 4.46Å; K78-I94 HydrophobicContact CD-CG2 4.31Å; K78-R97 VanDerWaalsContact O-CZ 3.28Å; K78-R97 PolarHBondContact O-NH1 3.25Å; K78-R97 PolarHBondContact O-NH2 2.57Å; K78-D98 IonicContact NZ-OD2 2.6Å; K78-D98 PolarHBondContact NZ-OD2 3.36Å; K78-D98 VanDerWaalsContact NZ-OD2 3.07Å; K78-I107 HydrophobicContact CD-CD1 4.33Å; K78-I107 VanDerWaalsContact CE-CD1 3.44Å; K78-I107 HydrophobicContact CG-CD1 4.19Å; K78-L137 VanDerWaalsContact C-CD2 3.43Å; K78-Y202 HydrophobicContact CB-CE2 4.28Å; K78-Y202 HydrophobicContact CG-CE1 4.43Å; K78-Y202 HydrophobicContact CG-CE2 4.19Å |
| 79 | N | 92.1 | Very high | 93.1 | Very high | 38 Ų | 38 | 20.6 Ų | 20.6 | 20% | 0.203 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.9 | 47.6 | -174.9 | -164.4 | 35.2 | 0 | 0 | 0 | 114.6 | S75 K76 L88 P133 L137 | S75-N79 WeakPolarHBondContact O-CA 3.44Å; S75-N79 PolarHBondContact O-N 2.84Å; K76-N79 PolarHBondContact O-N 3.46Å; N79-L88 PolarHBondContact O-N 3.31Å; N79-P133 HydrophobicContact CB-CB 4.14Å; N79-P133 HydrophobicContact CB-CG 4.47Å; N79-L137 HydrophobicContact CB-CD2 3.58Å |
| 80 | V | 94.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | B | Isolated β-bridge | trans | -121 | 154.5 | -174.7 | -65.7 | 0 | 0 | 0 | 0 | 113.6 | S75 K78 L86 I94 Y202 | S75-V80 WeakPolarHBondContact CB-O 3.18Å; S75-V80 PolarHBondContact O-N 2.86Å; S75-V80 PolarHBondContact OG-O 3.23Å; K78-V80 VanDerWaalsContact C-N 3.32Å; K78-V80 HydrophobicContact CB-CG1 4.22Å; K78-V80 HydrophobicContact CB-CG2 4.2Å; K78-V80 VanDerWaalsContact O-CG1 3.25Å; K78-V80 WeakPolarHBondContact O-CG1 3.27Å; K78-V80 PolarHBondContact O-N 3.36Å; V80-L86 CarbonylContact C-O 3.55Å; V80-L86 WeakPolarHBondContact CA-O 3.46Å; V80-L86 WeakPolarHBondContact CB-O 3.26Å; V80-I94 HydrophobicContact CG1-CD1 3.61Å; V80-I94 HydrophobicContact CG1-CG1 3.57Å; V80-Y202 HydrophobicContact CG2-CE2 4.37Å |
| 81 | C | 96.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -66.4 | 133.5 | 171.2 | 168.7 | 0 | 0 | 0 | 0 | 111.8 | C24 T83 C84 L85 L86 L88 | C24-C81 HydrophobicContact CB-CB 4.1Å; C24-C81 PolarHBondContact N-SG 2.77Å; C24-C81 VanDerWaalsContact N-SG 3.44Å; C81-T83 PolarHBondContact O-N 3.24Å; C81-T83 VanDerWaalsContact O-N 3.1Å; C81-C84 WeakPolarHBondContact CB-SG 3.28Å; C81-C84 PolarHBondContact SG-SG 3.22Å; C81-L85 WeakPolarHBondContact O-CA 3.14Å; C81-L85 PolarHBondContact O-N 3.48Å; C81-L86 PolarHBondContact N-O 3.19Å; C81-L88 HydrophobicContact CB-CD2 3.88Å | ||
| 82 | Q | 95.9 | Very high | 92.8 | Very high | 3 Ų | 3 | 20.5 Ų | 20.5 | 1% | 0.014 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -18.1 | -176.3 | -73.3 | 176.3 | -24 | 0 | 0 | 115.2 | P21 I22 L23 T68 E69 V70 Q72 | P21-Q82 VanDerWaalsContact CA-OE1 3.28Å; I22-Q82 HydrophobicContact CB-CG 4.24Å; I22-Q82 VanDerWaalsContact N-OE1 3.12Å; I22-Q82 WeakPolarHBondContact O-CG 3.34Å; I22-Q82 PolarHBondContact O-N 3.26Å; L23-Q82 HydrophobicContact CD2-CB 4.34Å; T68-Q82 HydrophobicContact CG2-CB 3.86Å; E69-Q82 PolarHBondContact N-O 3.09Å; V70-Q82 HydrophobicContact CG2-CB 4.25Å; V70-Q82 HydrophobicContact CG2-CG 4.35Å; V70-Q82 PolarHBondContact N-O 3.4Å; Q72-Q82 VanDerWaalsContact CA-NE2 3.3Å |
| 83 | T | 95.4 | Very high | 93 | Very high | 21 Ų | 21 | 19 Ų | 19 | 13% | 0.129 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -42.9 | 179.5 | -56.7 | 0 | 0 | 0 | 0 | 113.3 | W57 K66 K67 C81 | W57-T83 VanDerWaalsContact CH2-OG1 3.32Å; W57-T83 WeakPolarHBondContact CH2-OG1 3.37Å; K66-T83 HydrophobicContact CB-CG2 4.49Å; K66-T83 VanDerWaalsContact CE-CG2 3.5Å; K67-T83 VanDerWaalsContact O-CG2 3.22Å; K67-T83 WeakPolarHBondContact O-CG2 3.45Å; K67-T83 PolarHBondContact O-OG1 3.07Å; C81-T83 PolarHBondContact O-N 3.24Å; C81-T83 VanDerWaalsContact O-N 3.1Å |
| 84 | C | 94.3 | Very high | 93.1 | Very high | 6 Ų | 6 | 18.4 Ų | 18.4 | 4% | 0.041 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | -11.6 | -174.7 | 67.8 | 0 | 0 | 0 | 0 | 114.7 | C24 C27 C81 L86 R201 | C24-C84 VanDerWaalsContact SG-SG 3.62Å; C27-C84 WeakPolarHBondContact SG-CB 3.43Å; C81-C84 WeakPolarHBondContact CB-SG 3.28Å; C81-C84 PolarHBondContact SG-SG 3.22Å; C84-L86 HydrophobicContact CB-CG 4.36Å; C84-L86 PolarHBondContact O-N 2.85Å; C84-L86 VanDerWaalsContact O-N 3.13Å; C84-R201 PolarHBondContact O-NH2 3.23Å |
| 85 | L | 95.1 | Very high | 93.2 | Very high | 3 Ų | 3 | 19.8 Ų | 19.8 | 2% | 0.016 | 11% | 0.106 | C | C | . | . | trans | 55.7 | 23.2 | -176.4 | -50.9 | -179.4 | 0 | 0 | 0 | 113.5 | V70 C81 I198 Y202 | V70-L85 HydrophobicContact CB-CD2 4.38Å; V70-L85 HydrophobicContact CG1-CD2 3.74Å; V70-L85 HydrophobicContact CG2-CD2 3.68Å; C81-L85 WeakPolarHBondContact O-CA 3.14Å; C81-L85 PolarHBondContact O-N 3.48Å; L85-I198 HydrophobicContact CD1-CD1 4.13Å; L85-I198 HydrophobicContact CD1-CG1 3.43Å; L85-I198 VanDerWaalsContact CD1-CG1 3.43Å; L85-Y202 HydrophobicContact CD2-CD2 4.33Å | ||
| 86 | L | 95.6 | Very high | 93.2 | Very high | 18 Ų | 18 | 19.8 Ų | 19.8 | 9% | 0.094 | 11% | 0.106 | C | C | . | . | B | Isolated β-bridge | trans | -92.8 | 152.8 | 168.6 | -59.4 | -166.5 | 0 | 0 | 0 | 109.3 | V80 C81 C84 G91 L92 P93 R159 | V80-L86 CarbonylContact C-O 3.55Å; V80-L86 WeakPolarHBondContact CA-O 3.46Å; V80-L86 WeakPolarHBondContact CB-O 3.26Å; C81-L86 PolarHBondContact N-O 3.19Å; C84-L86 HydrophobicContact CB-CG 4.36Å; C84-L86 PolarHBondContact O-N 2.85Å; C84-L86 VanDerWaalsContact O-N 3.13Å; L86-G91 VanDerWaalsContact CD1-O 3.31Å; L86-G91 WeakPolarHBondContact CD1-O 3.23Å; L86-L92 WeakPolarHBondContact CA-O 3.47Å; L86-P93 HydrophobicContact CD2-CG 4.29Å; L86-R159 VanDerWaalsContact CD1-NH2 3.29Å |
| 87 | D | 93.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 1% | 0.011 | 10% | 0.098 | C | C | . | . | B | Isolated β-bridge | trans | -55.9 | 143.1 | 172.8 | -179 | 74.9 | 0 | 0 | 0 | 112.1 | E89 Y90 G91 L92 R97 | D87-E89 WeakPolarHBondContact OD2-CA 3.23Å; D87-E89 WeakPolarHBondContact OD2-CB 3.19Å; D87-E89 PolarHBondContact OD2-N 3.07Å; D87-Y90 WeakPolarHBondContact OD2-CD2 3.49Å; D87-Y90 PolarHBondContact OD2-N 3.02Å; D87-G91 VanDerWaalsContact O-CA 3.23Å; D87-G91 WeakPolarHBondContact O-CA 3.43Å; D87-G91 PolarHBondContact O-N 3.35Å; D87-G91 VanDerWaalsContact O-N 3.13Å; D87-L92 PolarHBondContact N-O 2.85Å; D87-R97 VanDerWaalsContact OD1-CD 3.26Å; D87-R97 WeakPolarHBondContact OD1-CD 3.41Å; D87-R97 IonicContact OD1-CZ 2.74Å; D87-R97 IonicContact OD1-NE 3.27Å; D87-R97 IonicContact OD1-NH1 3.1Å; D87-R97 PolarHBondContact OD1-NH1 3.04Å |
| 88 | L | 92.2 | Very high | 93.3 | Very high | 62 Ų | 62 | 18.3 Ų | 18.3 | 33% | 0.325 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -24.3 | -177.3 | -67.3 | 171.7 | 0 | 0 | 0 | 113.5 | I22 C24 N79 C81 | I22-L88 HydrophobicContact CG2-CD1 3.37Å; I22-L88 HydrophobicContact CG2-CD2 4.2Å; I22-L88 HydrophobicContact CG2-CG 4.38Å; C24-L88 HydrophobicContact CB-CD2 4.3Å; N79-L88 PolarHBondContact O-N 3.31Å; C81-L88 HydrophobicContact CB-CD2 3.88Å |
| 89 | E | 89.6 | Confident | 93.3 | Very high | 124 Ų | 124 | 21.7 Ų | 21.7 | 58% | 0.579 | 12% | 0.122 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -53.2 | -175.3 | -170.2 | 178.7 | 173.9 | 0 | 0 | 111.2 | D87 | D87-E89 WeakPolarHBondContact OD2-CA 3.23Å; D87-E89 WeakPolarHBondContact OD2-CB 3.19Å; D87-E89 PolarHBondContact OD2-N 3.07Å |
| 90 | Y | 91.3 | Very high | 93.1 | Very high | 12 Ų | 12 | 20.6 Ų | 20.6 | 5% | 0.047 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -20 | -176.3 | -57.3 | -80.6 | 0 | 0 | 0 | 113.5 | D87 L92 S142 S143 L147 L148 A151 | D87-Y90 WeakPolarHBondContact OD2-CD2 3.49Å; D87-Y90 PolarHBondContact OD2-N 3.02Å; Y90-L92 VanDerWaalsContact C-N 3.3Å; Y90-L92 PolarHBondContact O-N 3.49Å; Y90-S142 PolarHBondContact OH-O 2.87Å; Y90-S143 WeakPolarHBondContact OH-CA 3.49Å; Y90-L147 HydrophobicContact CD1-CB 3.77Å; Y90-L147 HydrophobicContact CD2-CB 4.45Å; Y90-L147 HydrophobicContact CD2-CD1 4.31Å; Y90-L147 HydrophobicContact CE1-CB 3.87Å; Y90-L147 HydrophobicContact CE2-CD1 4.22Å; Y90-L147 HydrophobicContact CG-CB 4.09Å; Y90-L148 HydrophobicContact CE1-CD1 3.96Å; Y90-A151 HydrophobicContact CD1-CB 4.39Å; Y90-A151 WeakPolarHBondContact O-CB 3.48Å |
| 91 | G | 92.8 | Very high | 92.7 | Very high | 32 Ų | 32 | 21.2 Ų | 21.2 | 33% | 0.33 | 12% | 0.122 | S | C | . | . | trans | 64.9 | 34.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L86 D87 | L86-G91 VanDerWaalsContact CD1-O 3.31Å; L86-G91 WeakPolarHBondContact CD1-O 3.23Å; D87-G91 VanDerWaalsContact O-CA 3.23Å; D87-G91 WeakPolarHBondContact O-CA 3.43Å; D87-G91 PolarHBondContact O-N 3.35Å; D87-G91 VanDerWaalsContact O-N 3.13Å | ||
| 92 | L | 94.4 | Very high | 92.2 | Very high | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | trans | -110.8 | 160 | -179.7 | -63.5 | 178.8 | 0 | 0 | 0 | 111.8 | L86 D87 Y90 V96 L147 L150 L213 | L86-L92 WeakPolarHBondContact CA-O 3.47Å; D87-L92 PolarHBondContact N-O 2.85Å; Y90-L92 VanDerWaalsContact C-N 3.3Å; Y90-L92 PolarHBondContact O-N 3.49Å; L92-V96 HydrophobicContact CD1-CG1 4.22Å; L92-L147 HydrophobicContact CD1-CB 4.22Å; L92-L147 HydrophobicContact CD1-CD2 4Å; L92-L150 HydrophobicContact CD1-CB 3.9Å; L92-L150 HydrophobicContact CD2-CB 4.26Å; L92-L213 HydrophobicContact CD2-CD2 3.73Å | ||
| 93 | P | 95.3 | Very high | 91.5 | Very high | 7 Ų | 7 | 27.8 Ų | 27.8 | 5% | 0.045 | 16% | 0.163 | C | C | . | . | B | Isolated β-bridge | trans | -61 | 150.5 | 171.2 | -20.9 | 32.8 | 0 | 0 | 0 | 112.2 | L86 Q95 V96 R97 V209 A210 L213 | L86-P93 HydrophobicContact CD2-CG 4.29Å; P93-Q95 VanDerWaalsContact C-N 3.34Å; P93-Q95 PolarHBondContact O-N 3.43Å; P93-V96 HydrophobicContact CB-CG2 4.18Å; P93-V96 HydrophobicContact CG-CG2 4.16Å; P93-V96 PolarHBondContact O-N 3.36Å; P93-V96 VanDerWaalsContact O-N 3.15Å; P93-R97 PolarHBondContact O-N 3.37Å; P93-R97 VanDerWaalsContact O-N 3.16Å; P93-V209 HydrophobicContact CG-CB 4.46Å; P93-V209 HydrophobicContact CG-CG1 4.03Å; P93-A210 HydrophobicContact CB-CB 4.07Å; P93-A210 HydrophobicContact CG-CB 4.47Å; P93-L213 HydrophobicContact CG-CD2 4.38Å |
| 94 | I | 93.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.8 | -44.8 | -176.2 | -64.8 | 170 | 0 | 0 | 0 | 111.2 | K78 V80 V96 R97 D98 Y202 | K78-I94 HydrophobicContact CB-CD1 4.46Å; K78-I94 HydrophobicContact CD-CG2 4.31Å; V80-I94 HydrophobicContact CG1-CD1 3.61Å; V80-I94 HydrophobicContact CG1-CG1 3.57Å; I94-V96 VanDerWaalsContact C-N 3.31Å; I94-V96 PolarHBondContact O-N 2.85Å; I94-R97 PolarHBondContact O-N 2.91Å; I94-D98 VanDerWaalsContact CG2-OD2 3.32Å; I94-D98 WeakPolarHBondContact CG2-OD2 3.31Å; I94-D98 WeakPolarHBondContact O-CB 3.42Å; I94-D98 VanDerWaalsContact O-CG 3.28Å; I94-D98 PolarHBondContact O-N 2.91Å; I94-Y202 HydrophobicContact CD1-CD2 4.25Å; I94-Y202 WeakPolarHBondContact CD1-O 3.22Å |
| 95 | Q | 92.9 | Very high | 89.9 | Confident | 29 Ų | 29 | 35.4 Ų | 35.4 | 14% | 0.136 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58 | -40.5 | 178.2 | -176.2 | -178 | -14.1 | 0 | 0 | 112.7 | P93 T99 G204 D207 A210 D211 | P93-Q95 VanDerWaalsContact C-N 3.34Å; P93-Q95 PolarHBondContact O-N 3.43Å; Q95-T99 VanDerWaalsContact O-CB 3.32Å; Q95-T99 WeakPolarHBondContact O-CB 3.43Å; Q95-T99 PolarHBondContact O-N 3.36Å; Q95-T99 PolarHBondContact O-OG1 3.24Å; Q95-G204 WeakPolarHBondContact CB-O 3.17Å; Q95-G204 VanDerWaalsContact CG-O 3.31Å; Q95-G204 WeakPolarHBondContact CG-O 3.26Å; Q95-D207 VanDerWaalsContact OE1-N 3.08Å; Q95-A210 HydrophobicContact CB-CB 3.7Å; Q95-A210 HydrophobicContact CG-CB 4.05Å; Q95-D211 PolarHBondContact NE2-OD1 3.37Å |
| 96 | V | 93.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.7 | -46.2 | 178.5 | -178.7 | 0 | 0 | 0 | 0 | 110.3 | L92 P93 I94 G100 L147 L150 A210 L213 L214 | L92-V96 HydrophobicContact CD1-CG1 4.22Å; P93-V96 HydrophobicContact CB-CG2 4.18Å; P93-V96 HydrophobicContact CG-CG2 4.16Å; P93-V96 PolarHBondContact O-N 3.36Å; P93-V96 VanDerWaalsContact O-N 3.15Å; I94-V96 VanDerWaalsContact C-N 3.31Å; I94-V96 PolarHBondContact O-N 2.85Å; V96-G100 PolarHBondContact O-N 3.11Å; V96-L147 HydrophobicContact CG1-CD2 3.98Å; V96-L147 WeakPolarHBondContact O-CD2 3.31Å; V96-L150 HydrophobicContact CG1-CD1 3.73Å; V96-A210 HydrophobicContact CG2-CB 3.62Å; V96-L213 HydrophobicContact CG2-CB 3.83Å; V96-L213 HydrophobicContact CG2-CD2 4.18Å; V96-L214 HydrophobicContact CG1-CD2 4.31Å; V96-L214 HydrophobicContact CG2-CG 4.36Å |
| 97 | R | 91.5 | Very high | 88.5 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.3 | -50.7 | 179.1 | -178.9 | -163.5 | 64.4 | -168 | -0 | 111.4 | K78 D87 P93 I94 T99 G100 L101 L147 | K78-R97 VanDerWaalsContact O-CZ 3.28Å; K78-R97 PolarHBondContact O-NH1 3.25Å; K78-R97 PolarHBondContact O-NH2 2.57Å; D87-R97 VanDerWaalsContact OD1-CD 3.26Å; D87-R97 WeakPolarHBondContact OD1-CD 3.41Å; D87-R97 IonicContact OD1-CZ 2.74Å; D87-R97 IonicContact OD1-NE 3.27Å; D87-R97 IonicContact OD1-NH1 3.1Å; D87-R97 PolarHBondContact OD1-NH1 3.04Å; P93-R97 PolarHBondContact O-N 3.37Å; P93-R97 VanDerWaalsContact O-N 3.16Å; I94-R97 PolarHBondContact O-N 2.91Å; R97-T99 VanDerWaalsContact C-N 3.26Å; R97-T99 PolarHBondContact O-N 3.38Å; R97-G100 CarbonylContact O-C 3.57Å; R97-G100 PolarHBondContact O-N 3.35Å; R97-L101 HydrophobicContact CG-CD1 3.74Å; R97-L101 HydrophobicContact CG-CG 4.22Å; R97-L101 WeakPolarHBondContact O-CB 3.42Å; R97-L101 PolarHBondContact O-N 3.06Å; R97-L147 HydrophobicContact CB-CD1 4.36Å; R97-L147 HydrophobicContact CG-CD1 3.95Å |
| 98 | D | 90.2 | Very high | 88.2 | Confident | 18 Ų | 18 | 44 Ų | 44 | 10% | 0.096 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.7 | -36.1 | -176.1 | -68.1 | 9 | 0 | 0 | 0 | 110 | K78 I94 T102 V103 | K78-D98 IonicContact NZ-OD2 2.6Å; K78-D98 PolarHBondContact NZ-OD2 3.36Å; K78-D98 VanDerWaalsContact NZ-OD2 3.07Å; I94-D98 VanDerWaalsContact CG2-OD2 3.32Å; I94-D98 WeakPolarHBondContact CG2-OD2 3.31Å; I94-D98 WeakPolarHBondContact O-CB 3.42Å; I94-D98 VanDerWaalsContact O-CG 3.28Å; I94-D98 PolarHBondContact O-N 2.91Å; D98-T102 WeakPolarHBondContact O-CA 3.47Å; D98-T102 PolarHBondContact O-N 3.46Å; D98-V103 PolarHBondContact O-N 3.29Å |
| 99 | T | 89.4 | Confident | 87.9 | Confident | 75 Ų | 75 | 48.3 Ų | 48.3 | 46% | 0.46 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.2 | -45.4 | 170.1 | -55.3 | 0 | 0 | 0 | 0 | 112.1 | Q95 R97 T102 L214 | Q95-T99 VanDerWaalsContact O-CB 3.32Å; Q95-T99 WeakPolarHBondContact O-CB 3.43Å; Q95-T99 PolarHBondContact O-N 3.36Å; Q95-T99 PolarHBondContact O-OG1 3.24Å; R97-T99 VanDerWaalsContact C-N 3.26Å; R97-T99 PolarHBondContact O-N 3.38Å; T99-T102 PolarHBondContact O-N 2.85Å; T99-L214 HydrophobicContact CG2-CD2 3.98Å |
| 100 | G | 87.3 | Confident | 87.9 | Confident | 15 Ų | 15 | 45.2 Ų | 45.2 | 16% | 0.155 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -73.8 | -22.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115 | V96 R97 S144 | V96-G100 PolarHBondContact O-N 3.11Å; R97-G100 CarbonylContact O-C 3.57Å; R97-G100 PolarHBondContact O-N 3.35Å; G100-S144 VanDerWaalsContact O-CB 3.3Å; G100-S144 WeakPolarHBondContact O-CB 3.47Å; G100-S144 PolarHBondContact O-OG 3.1Å |
| 101 | L | 87.2 | Confident | 87.4 | Confident | 12 Ų | 12 | 49.6 Ų | 49.6 | 6% | 0.063 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -96.5 | -5.3 | 173.2 | -66.1 | 179.6 | 0 | 0 | 0 | 112.7 | R97 V103 L137 A140 P141 L147 | R97-L101 HydrophobicContact CG-CD1 3.74Å; R97-L101 HydrophobicContact CG-CG 4.22Å; R97-L101 WeakPolarHBondContact O-CB 3.42Å; R97-L101 PolarHBondContact O-N 3.06Å; L101-V103 HydrophobicContact CB-CB 4.4Å; L101-V103 HydrophobicContact CB-CG2 3.69Å; L101-V103 PolarHBondContact O-N 3.42Å; L101-L137 HydrophobicContact CD1-CD1 4.19Å; L101-A140 HydrophobicContact CD1-CB 4.27Å; L101-P141 HydrophobicContact CD2-CG 4.49Å; L101-P141 WeakPolarHBondContact CD2-O 3.36Å; L101-L147 HydrophobicContact CD2-CD1 4.13Å; L101-L147 HydrophobicContact CG-CD1 3.9Å |
| 102 | T | 84.7 | Confident | 87.2 | Confident | 126 Ų | 126 | 53.2 Ų | 53.2 | 77% | 0.773 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 30.9 | -172.8 | 57.5 | 0 | 0 | 0 | 0 | 113.4 | D98 T99 | D98-T102 WeakPolarHBondContact O-CA 3.47Å; D98-T102 PolarHBondContact O-N 3.46Å; T99-T102 PolarHBondContact O-N 2.85Å |
| 103 | V | 82.7 | Confident | 86.9 | Confident | 15 Ų | 15 | 57.3 Ų | 57.3 | 9% | 0.091 | 31% | 0.308 | C | S | . | . | trans | -91.3 | 126.4 | 179 | 176 | 0 | 0 | 0 | 0 | 108.6 | D98 L101 Q136 A140 | D98-V103 PolarHBondContact O-N 3.29Å; L101-V103 HydrophobicContact CB-CB 4.4Å; L101-V103 HydrophobicContact CB-CG2 3.69Å; L101-V103 PolarHBondContact O-N 3.42Å; V103-Q136 HydrophobicContact CG1-CB 4.22Å; V103-A140 HydrophobicContact CG2-CB 3.44Å; V103-A140 VanDerWaalsContact CG2-CB 3.44Å | ||
| 104 | K | 77.9 | Confident | 86.5 | Confident | 165 Ų | 165 | 57.5 Ų | 57.5 | 72% | 0.717 | 31% | 0.309 | S | S | * | . | trans | -113.8 | 84.9 | 176 | -68.5 | -175.4 | 179.6 | -179.8 | 0 | 109.6 | D106 Q136 | K104-D106 PolarHBondContact O-N 3.48Å; K104-Q136 PolarHBondContact O-OE1 3.05Å | ||
| 105 | D | 76.4 | Confident | 86.2 | Confident | 23 Ų | 23 | 60.1 Ų | 60.1 | 12% | 0.123 | 32% | 0.321 | C | S | . | . | trans | -86.2 | 98.9 | 173.1 | -89.8 | -39.9 | 0 | 0 | 0 | 110 | I107 Q136 | D105-I107 PolarHBondContact O-N 2.89Å; D105-I107 VanDerWaalsContact O-N 3.14Å; D105-Q136 VanDerWaalsContact OD1-CB 3.27Å; D105-Q136 WeakPolarHBondContact OD1-CB 3.48Å; D105-Q136 WeakPolarHBondContact OD1-CG 3.32Å | ||
| 106 | D | 79.1 | Confident | 85.9 | Confident | 144 Ų | 144 | 65.8 Ų | 65.8 | 77% | 0.77 | 34% | 0.342 | S | S | * | . | trans | -82.8 | 84.9 | 177.8 | -69.5 | -39.3 | 0 | 0 | 0 | 111.1 | K104 | K104-D106 PolarHBondContact O-N 3.48Š| ||
| 107 | I | 83.6 | Confident | 85.7 | Confident | 19 Ų | 19 | 68.6 Ų | 68.6 | 10% | 0.097 | 35% | 0.353 | C | S | . | . | trans | -78.3 | 126.7 | 172.1 | -57.2 | 175.7 | 0 | 0 | 0 | 109.2 | K78 D105 Y117 Y202 Y203 | K78-I107 HydrophobicContact CD-CD1 4.33Å; K78-I107 VanDerWaalsContact CE-CD1 3.44Å; K78-I107 HydrophobicContact CG-CD1 4.19Å; D105-I107 PolarHBondContact O-N 2.89Å; D105-I107 VanDerWaalsContact O-N 3.14Å; I107-Y117 HydrophobicContact CG1-CE1 4.09Å; I107-Y117 HydrophobicContact CG2-CD1 4.08Å; I107-Y117 HydrophobicContact CG2-CE1 4.15Å; I107-Y202 HydrophobicContact CD1-CE1 4.14Å; I107-Y203 HydrophobicContact CB-CD1 4.21Å; I107-Y203 HydrophobicContact CB-CE1 4.03Å; I107-Y203 HydrophobicContact CG2-CD1 4.48Å; I107-Y203 HydrophobicContact CG2-CE1 3.8Å | ||
| 108 | P | 87.7 | Confident | 85.5 | Confident | 39 Ų | 39 | 68.7 Ų | 68.7 | 25% | 0.253 | 35% | 0.354 | S | S | . | . | trans | -60.6 | 141.4 | 176.8 | -22.5 | 32.8 | 0 | 0 | 0 | 112.8 | N113 K114 Y117 | P108-N113 HydrophobicContact CB-CB 3.65Å; P108-N113 HydrophobicContact CG-CB 4.28Å; P108-K114 WeakPolarHBondContact O-CB 3.14Å; P108-Y117 HydrophobicContact CG-CD2 4.31Å; P108-Y117 HydrophobicContact CG-CG 4.28Å | ||
| 109 | R | 84.9 | Confident | 85.4 | Confident | 153 Ų | 153 | 70.3 Ų | 70.3 | 58% | 0.577 | 36% | 0.361 | S | S | * | . | trans | -100.6 | -31 | -179.3 | -59.1 | -173.2 | -163.6 | 166.5 | 14.3 | 114.2 | I205 | R109-I205 VanDerWaalsContact CZ-CD1 3.45Å; R109-I205 VanDerWaalsContact NH2-CG1 3.28Å | ||
| 110 | S | 89.1 | Confident | 85.4 | Confident | 60 Ų | 60 | 68.6 Ų | 68.6 | 42% | 0.42 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -58.2 | 138.9 | 175.2 | 53.8 | 0 | 0 | 0 | 0 | 110 | V112 N113 K114 | S110-V112 PolarHBondContact O-N 3.43Å; S110-N113 PolarHBondContact O-N 3.18Å; S110-N113 VanDerWaalsContact OG-CB 3.26Å; S110-N113 WeakPolarHBondContact OG-CB 3.31Å; S110-N113 PolarHBondContact OG-ND2 3.41Å; S110-K114 WeakPolarHBondContact O-CB 3.41Å; S110-K114 PolarHBondContact O-N 2.85Å |
| 111 | D | 82.6 | Confident | 85.4 | Confident | 104 Ų | 104 | 68.5 Ų | 68.5 | 56% | 0.556 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -56.9 | -50.1 | -167.6 | -65.9 | -46.2 | 0 | 0 | 0 | 113.5 | K114 E115 | D111-K114 WeakPolarHBondContact O-CB 3.25Å; D111-K114 PolarHBondContact O-N 2.94Å; D111-K114 IonicContact OD1-NZ 3.35Å; D111-K114 PolarHBondContact OD1-NZ 3.27Å; D111-E115 WeakPolarHBondContact O-CG 3.39Å; D111-E115 PolarHBondContact O-N 3.48Å |
| 112 | V | 87.5 | Confident | 85.4 | Confident | 108 Ų | 108 | 69.1 Ų | 69.1 | 66% | 0.655 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -64.5 | -47.3 | -179.3 | -176.9 | 0 | 0 | 0 | 0 | 112.2 | S110 K114 E115 Y116 | S110-V112 PolarHBondContact O-N 3.43Å; V112-K114 VanDerWaalsContact C-N 3.29Å; V112-K114 PolarHBondContact O-N 3.21Å; V112-E115 PolarHBondContact O-N 2.92Å; V112-Y116 WeakPolarHBondContact O-CB 3.3Å; V112-Y116 PolarHBondContact O-N 2.96Å |
| 113 | N | 88.6 | Confident | 85.5 | Confident | 90 Ų | 90 | 69.1 Ų | 69.1 | 48% | 0.481 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.5 | -33.1 | -178.9 | -59.8 | -33.3 | 0 | 0 | 0 | 112 | P108 S110 Y117 | P108-N113 HydrophobicContact CB-CB 3.65Å; P108-N113 HydrophobicContact CG-CB 4.28Å; S110-N113 PolarHBondContact O-N 3.18Å; S110-N113 VanDerWaalsContact OG-CB 3.26Å; S110-N113 WeakPolarHBondContact OG-CB 3.31Å; S110-N113 PolarHBondContact OG-ND2 3.41Å; N113-Y117 WeakPolarHBondContact O-CB 3.49Å; N113-Y117 PolarHBondContact O-N 3.17Å |
| 114 | K | 87.1 | Confident | 85.7 | Confident | 11 Ų | 11 | 72.9 Ų | 72.9 | 5% | 0.048 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 175.6 | 176 | -175.1 | 68.4 | -150.9 | 0 | 110.9 | P108 S110 D111 V112 T118 Y203 | P108-K114 WeakPolarHBondContact O-CB 3.14Å; S110-K114 WeakPolarHBondContact O-CB 3.41Å; S110-K114 PolarHBondContact O-N 2.85Å; D111-K114 WeakPolarHBondContact O-CB 3.25Å; D111-K114 PolarHBondContact O-N 2.94Å; D111-K114 IonicContact OD1-NZ 3.35Å; D111-K114 PolarHBondContact OD1-NZ 3.27Å; V112-K114 VanDerWaalsContact C-N 3.29Å; V112-K114 PolarHBondContact O-N 3.21Å; K114-T118 VanDerWaalsContact O-CB 3.31Å; K114-T118 WeakPolarHBondContact O-CB 3.42Å; K114-T118 PolarHBondContact O-N 3.25Å; K114-T118 PolarHBondContact O-OG1 2.87Å; K114-Y203 WeakPolarHBondContact CD-OH 3.19Å |
| 115 | E | 85.4 | Confident | 86.1 | Confident | 54 Ų | 54 | 65.7 Ų | 65.7 | 25% | 0.252 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.4 | -48.3 | 177 | -72.5 | 164.2 | -175.6 | 0 | 0 | 111.4 | N8 D111 V112 Y117 T118 Q119 | N8-E115 PolarHBondContact ND2-OE1 3.46Å; D111-E115 WeakPolarHBondContact O-CG 3.39Å; D111-E115 PolarHBondContact O-N 3.48Å; V112-E115 PolarHBondContact O-N 2.92Å; E115-Y117 PolarHBondContact O-N 2.95Å; E115-T118 PolarHBondContact O-N 2.9Å; E115-Q119 WeakPolarHBondContact O-CB 2.68Å; E115-Q119 PolarHBondContact O-N 3.12Å |
| 116 | Y | 88.5 | Confident | 86.5 | Confident | 148 Ų | 148 | 68.4 Ų | 68.4 | 58% | 0.58 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -57.8 | -47.5 | 175.9 | 178.9 | -100.1 | 0 | 0 | 0 | 112.1 | V112 T118 Q119 N120 | V112-Y116 WeakPolarHBondContact O-CB 3.3Å; V112-Y116 PolarHBondContact O-N 2.96Å; Y116-T118 PolarHBondContact O-N 2.81Å; Y116-Q119 PolarHBondContact O-N 2.98Å; Y116-N120 WeakPolarHBondContact CE1-ND2 3.38Å; Y116-N120 PolarHBondContact O-N 3.15Å; Y116-N120 PolarHBondContact OH-ND2 3.18Å |
| 117 | Y | 89.1 | Confident | 86.9 | Confident | 59 Ų | 59 | 68.1 Ų | 68.1 | 23% | 0.231 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.6 | -46.8 | 176.5 | -177.3 | -91.3 | 0 | 0 | 0 | 111.4 | M77 I107 P108 N113 E115 Q119 N120 M121 | M77-Y117 HydrophobicContact SD-CD1 4.47Å; M77-Y117 HydrophobicContact SD-CE1 4Å; I107-Y117 HydrophobicContact CG1-CE1 4.09Å; I107-Y117 HydrophobicContact CG2-CD1 4.08Å; I107-Y117 HydrophobicContact CG2-CE1 4.15Å; P108-Y117 HydrophobicContact CG-CD2 4.31Å; P108-Y117 HydrophobicContact CG-CG 4.28Å; N113-Y117 WeakPolarHBondContact O-CB 3.49Å; N113-Y117 PolarHBondContact O-N 3.17Å; E115-Y117 PolarHBondContact O-N 2.95Å; Y117-Q119 VanDerWaalsContact C-N 3.31Å; Y117-Q119 PolarHBondContact O-N 3.19Å; Y117-N120 PolarHBondContact O-N 3.17Å; Y117-M121 HydrophobicContact CD1-CG 3.89Å; Y117-M121 HydrophobicContact CE1-CG 3.48Å; Y117-M121 VanDerWaalsContact CE1-CG 3.48Å; Y117-M121 HydrophobicContact CE1-SD 4.34Å; Y117-M121 HydrophobicContact CE2-CG 4.33Å; Y117-M121 HydrophobicContact CE2-SD 4.45Å; Y117-M121 HydrophobicContact CG-CG 4.46Å; Y117-M121 WeakPolarHBondContact O-CG 3.32Å; Y117-M121 PolarHBondContact O-N 2.97Å |
| 118 | T | 87.2 | Confident | 86.9 | Confident | 4 Ų | 4 | 69.4 Ų | 69.4 | 3% | 0.025 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.4 | -38.4 | 179.3 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | C48 T73 K114 E115 Y116 E122 | C48-T118 HydrophobicContact CB-CG2 3.99Å; T73-T118 HydrophobicContact CG2-CG2 4.43Å; K114-T118 VanDerWaalsContact O-CB 3.31Å; K114-T118 WeakPolarHBondContact O-CB 3.42Å; K114-T118 PolarHBondContact O-N 3.25Å; K114-T118 PolarHBondContact O-OG1 2.87Å; E115-T118 PolarHBondContact O-N 2.9Å; Y116-T118 PolarHBondContact O-N 2.81Å; T118-E122 VanDerWaalsContact O-CB 3.26Å; T118-E122 WeakPolarHBondContact O-CB 3.4Å; T118-E122 PolarHBondContact O-N 3.01Å |
| 119 | Q | 87.6 | Confident | 86.6 | Confident | 53 Ų | 53 | 74.3 Ų | 74.3 | 25% | 0.248 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.7 | -40 | 176.8 | -174.2 | 175.5 | 26.3 | 0 | 0 | 112.1 | N11 E115 Y116 Y117 R123 | N11-Q119 PolarHBondContact ND2-NE2 3.35Å; E115-Q119 WeakPolarHBondContact O-CB 2.68Å; E115-Q119 PolarHBondContact O-N 3.12Å; Y116-Q119 PolarHBondContact O-N 2.98Å; Y117-Q119 VanDerWaalsContact C-N 3.31Å; Y117-Q119 PolarHBondContact O-N 3.19Å; Q119-R123 PolarHBondContact O-N 3.15Å; Q119-R123 VanDerWaalsContact O-N 3.11Å |
| 120 | N | 89 | Confident | 86.2 | Confident | 39 Ų | 39 | 68.2 Ų | 68.2 | 21% | 0.209 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.3 | -45.4 | 175.4 | -75.7 | -12.5 | 0 | 0 | 0 | 112.1 | Y116 Y117 E122 R123 E124 | Y116-N120 WeakPolarHBondContact CE1-ND2 3.38Å; Y116-N120 PolarHBondContact O-N 3.15Å; Y116-N120 PolarHBondContact OH-ND2 3.18Å; Y117-N120 PolarHBondContact O-N 3.17Å; N120-E122 VanDerWaalsContact C-N 3.34Å; N120-E122 PolarHBondContact O-N 3.09Å; N120-R123 PolarHBondContact O-N 3.37Å; N120-R123 PolarHBondContact OD1-NH1 2.9Å; N120-R123 PolarHBondContact OD1-NH2 3.05Å; N120-E124 PolarHBondContact O-N 3.15Å |
| 121 | M | 87.1 | Confident | 85.8 | Confident | 13 Ų | 13 | 70.6 Ų | 70.6 | 6% | 0.064 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.3 | -37.4 | 177.2 | -69.4 | -54.4 | -55.3 | 0 | 0 | 112.2 | M77 Y117 E124 I125 V134 | M77-M121 HydrophobicContact CG-CB 4.07Å; M77-M121 HydrophobicContact CG-CE 4.25Å; M77-M121 HydrophobicContact CG-CG 4.36Å; M77-M121 HydrophobicContact SD-CB 3.51Å; M77-M121 VanDerWaalsContact SD-CB 3.51Å; M77-M121 HydrophobicContact SD-CG 3.63Å; Y117-M121 HydrophobicContact CD1-CG 3.89Å; Y117-M121 HydrophobicContact CE1-CG 3.48Å; Y117-M121 VanDerWaalsContact CE1-CG 3.48Å; Y117-M121 HydrophobicContact CE1-SD 4.34Å; Y117-M121 HydrophobicContact CE2-CG 4.33Å; Y117-M121 HydrophobicContact CE2-SD 4.45Å; Y117-M121 HydrophobicContact CG-CG 4.46Å; Y117-M121 WeakPolarHBondContact O-CG 3.32Å; Y117-M121 PolarHBondContact O-N 2.97Å; M121-E124 PolarHBondContact O-N 3.31Å; M121-I125 WeakPolarHBondContact O-CB 3.37Å; M121-I125 WeakPolarHBondContact O-CD1 3.46Å; M121-I125 WeakPolarHBondContact O-CG1 3.39Å; M121-I125 PolarHBondContact O-N 3.01Å; M121-V134 HydrophobicContact CE-CB 4.07Å; M121-V134 HydrophobicContact CE-CG2 3.35Å |
| 122 | E | 86.9 | Confident | 85.7 | Confident | 25 Ų | 25 | 74.6 Ų | 74.6 | 12% | 0.117 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 174.5 | -176.3 | -179.8 | -142.4 | 0 | 0 | 112 | N14 R50 T73 T118 N120 E124 I125 A126 | N14-E122 WeakPolarHBondContact CB-OE2 3.48Å; N14-E122 PolarHBondContact ND2-OE2 3.42Å; R50-E122 IonicContact CZ-OE1 2.76Å; R50-E122 IonicContact CZ-OE2 3.07Å; R50-E122 IonicContact NH1-OE1 2.89Å; R50-E122 IonicContact NH1-OE2 3.73Å; R50-E122 PolarHBondContact NH1-OE2 2.81Å; R50-E122 IonicContact NH2-OE1 2.81Å; R50-E122 PolarHBondContact NH2-OE1 2.94Å; R50-E122 IonicContact NH2-OE2 3.93Å; R50-E122 PolarHBondContact NH2-OE2 2.93Å; T73-E122 HydrophobicContact CG2-CB 3.86Å; T73-E122 HydrophobicContact CG2-CG 4.36Å; T118-E122 VanDerWaalsContact O-CB 3.26Å; T118-E122 WeakPolarHBondContact O-CB 3.4Å; T118-E122 PolarHBondContact O-N 3.01Å; N120-E122 VanDerWaalsContact C-N 3.34Å; N120-E122 PolarHBondContact O-N 3.09Å; E122-E124 VanDerWaalsContact C-N 3.34Å; E122-I125 PolarHBondContact O-N 3.37Å; E122-A126 WeakPolarHBondContact O-CB 3.24Å; E122-A126 PolarHBondContact O-N 3.13Å |
| 123 | R | 87.8 | Confident | 85.2 | Confident | 126 Ų | 126 | 71.1 Ų | 71.1 | 48% | 0.475 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 174.5 | -176.2 | 177 | 64.8 | -101.2 | 0.9 | 111.5 | Q119 N120 A126 N127 | Q119-R123 PolarHBondContact O-N 3.15Å; Q119-R123 VanDerWaalsContact O-N 3.11Å; N120-R123 PolarHBondContact O-N 3.37Å; N120-R123 PolarHBondContact OD1-NH1 2.9Å; N120-R123 PolarHBondContact OD1-NH2 3.05Å; R123-A126 PolarHBondContact O-N 3.41Å; R123-N127 WeakPolarHBondContact O-CB 3.3Å; R123-N127 PolarHBondContact O-N 3.05Å; R123-N127 PolarHBondContact O-ND2 2.68Å; R123-N127 PolarHBondContact O-OD1 3.21Å |
| 124 | E | 86.3 | Confident | 84.7 | Confident | 93 Ų | 93 | 67.5 Ų | 67.5 | 44% | 0.435 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.7 | -42.7 | 175.1 | -171.4 | -178.9 | 157.9 | 0 | 0 | 111.7 | N120 M121 E122 N127 S128 | N120-E124 PolarHBondContact O-N 3.15Å; M121-E124 PolarHBondContact O-N 3.31Å; E122-E124 VanDerWaalsContact C-N 3.34Å; E124-N127 CarbonylContact O-C 3.59Å; E124-N127 PolarHBondContact O-N 2.96Å; E124-S128 WeakPolarHBondContact O-CB 3.17Å; E124-S128 PolarHBondContact O-N 3.2Å |
| 125 | I | 86.5 | Confident | 84.3 | Confident | 15 Ų | 15 | 68.1 Ų | 68.1 | 8% | 0.077 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 175.9 | -71 | 163.6 | 0 | 0 | 0 | 110.7 | T73 K76 M77 M121 E122 N127 S128 V134 | T73-I125 HydrophobicContact CG2-CD1 3.82Å; K76-I125 HydrophobicContact CB-CD1 4.01Å; K76-I125 HydrophobicContact CD-CG2 3.81Å; M77-I125 HydrophobicContact CG-CD1 4.23Å; M121-I125 WeakPolarHBondContact O-CB 3.37Å; M121-I125 WeakPolarHBondContact O-CD1 3.46Å; M121-I125 WeakPolarHBondContact O-CG1 3.39Å; M121-I125 PolarHBondContact O-N 3.01Å; E122-I125 PolarHBondContact O-N 3.37Å; I125-N127 PolarHBondContact O-N 3.48Å; I125-S128 WeakPolarHBondContact CA-OG 3.33Å; I125-S128 PolarHBondContact O-N 3.27Å; I125-S128 PolarHBondContact O-OG 2.74Å; I125-V134 HydrophobicContact CD1-CG2 3.75Å; I125-V134 HydrophobicContact CG1-CB 4.18Å; I125-V134 HydrophobicContact CG1-CG1 3.75Å; I125-V134 HydrophobicContact CG1-CG2 3.39Å |
| 126 | A | 85.5 | Confident | 83.7 | Confident | 80 Ų | 80 | 70.5 Ų | 70.5 | 66% | 0.661 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.9 | -31.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E122 R123 S128 | E122-A126 WeakPolarHBondContact O-CB 3.24Å; E122-A126 PolarHBondContact O-N 3.13Å; R123-A126 PolarHBondContact O-N 3.41Å; A126-S128 VanDerWaalsContact C-N 3.31Å |
| 127 | N | 86.6 | Confident | 83 | Confident | 137 Ų | 137 | 64.2 Ų | 64.2 | 73% | 0.733 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -81.6 | -10 | 174.4 | -67.1 | -11.9 | 0 | 0 | 0 | 113.3 | R123 E124 I125 | R123-N127 WeakPolarHBondContact O-CB 3.3Å; R123-N127 PolarHBondContact O-N 3.05Å; R123-N127 PolarHBondContact O-ND2 2.68Å; R123-N127 PolarHBondContact O-OD1 3.21Å; E124-N127 CarbonylContact O-C 3.59Å; E124-N127 PolarHBondContact O-N 2.96Å; I125-N127 PolarHBondContact O-N 3.48Å |
| 128 | S | 83.7 | Confident | 82.1 | Confident | 46 Ų | 46 | 62.6 Ų | 62.6 | 32% | 0.322 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -95.8 | 167.1 | 177.8 | 79.6 | 0 | 0 | 0 | 0 | 111.4 | E124 I125 A126 G130 | E124-S128 WeakPolarHBondContact O-CB 3.17Å; E124-S128 PolarHBondContact O-N 3.2Å; I125-S128 WeakPolarHBondContact CA-OG 3.33Å; I125-S128 PolarHBondContact O-N 3.27Å; I125-S128 PolarHBondContact O-OG 2.74Å; A126-S128 VanDerWaalsContact C-N 3.31Å; S128-G130 PolarHBondContact O-N 3.27Å; S128-G130 PolarHBondContact OG-N 3Å |
| 129 | D | 82.3 | Confident | 81.4 | Confident | 142 Ų | 142 | 71.2 Ų | 71.2 | 76% | 0.759 | 38% | 0.378 | S | S | * | . | trans | -62.3 | -8.3 | 173.8 | -178.4 | 50.7 | 0 | 0 | 0 | 113.7 | T131 | D129-T131 PolarHBondContact O-N 2.81Å; D129-T131 PolarHBondContact O-OG1 3.46Å; D129-T131 WeakPolarHBondContact OD2-CB 3.1Å; D129-T131 PolarHBondContact OD2-OG1 2.71Å | ||
| 130 | G | 76.6 | Confident | 80.5 | Confident | 25 Ų | 25 | 69.8 Ų | 69.8 | 26% | 0.258 | 38% | 0.375 | S | S | . | . | S | Bend | trans | 71 | -3.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | K76 S128 | K76-G130 WeakPolarHBondContact CE-O 3.28Å; S128-G130 PolarHBondContact O-N 3.27Å; S128-G130 PolarHBondContact OG-N 3Å |
| 131 | T | 80.3 | Confident | 79.5 | Confident | 111 Ų | 111 | 72 Ų | 72 | 68% | 0.681 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -88.8 | -35.9 | -179.2 | -51.3 | 0 | 0 | 0 | 0 | 113.3 | D129 | D129-T131 PolarHBondContact O-N 2.81Å; D129-T131 PolarHBondContact O-OG1 3.46Å; D129-T131 WeakPolarHBondContact OD2-CB 3.1Å; D129-T131 PolarHBondContact OD2-OG1 2.71Å |
| 132 | R | 79.5 | Confident | 78.5 | Confident | 188 Ų | 188 | 76 Ų | 76 | 71% | 0.709 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -100 | 149.1 | -176.1 | -65.2 | -178.9 | 72.9 | 167.6 | 0.8 | 111.2 | V134 | R132-V134 PolarHBondContact O-N 3.04Š|
| 133 | P | 78.3 | Confident | 77.9 | Confident | 35 Ų | 35 | 78.9 Ų | 78.9 | 23% | 0.227 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 131.6 | 168.1 | 27.2 | -32.9 | 0 | 0 | 0 | 109.3 | N79 L137 G138 | N79-P133 HydrophobicContact CB-CB 4.14Å; N79-P133 HydrophobicContact CB-CG 4.47Å; P133-L137 HydrophobicContact CB-CD2 4.22Å; P133-L137 HydrophobicContact CB-CG 4.42Å; P133-G138 VanDerWaalsContact O-CA 3.31Å; P133-G138 WeakPolarHBondContact O-CA 3.26Å |
| 134 | V | 78.4 | Confident | 77.6 | Confident | 14 Ų | 14 | 74 Ų | 74 | 9% | 0.085 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -84.7 | 167.2 | 176 | -66.4 | 0 | 0 | 0 | 0 | 110.6 | M121 I125 R132 | M121-V134 HydrophobicContact CE-CB 4.07Å; M121-V134 HydrophobicContact CE-CG2 3.35Å; I125-V134 HydrophobicContact CD1-CG2 3.75Å; I125-V134 HydrophobicContact CG1-CB 4.18Å; I125-V134 HydrophobicContact CG1-CG1 3.75Å; I125-V134 HydrophobicContact CG1-CG2 3.39Å; R132-V134 PolarHBondContact O-N 3.04Å |
| 135 | G | 76.8 | Confident | 77.5 | Confident | 24 Ų | 24 | 72 Ų | 72 | 25% | 0.247 | 42% | 0.421 | C | S | . | . | S | Bend | trans | 81.5 | -157.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L137 G138 | G135-L137 VanDerWaalsContact C-N 3.29Å; G135-L137 PolarHBondContact O-N 3.04Å; G135-G138 PolarHBondContact O-N 3.35Å |
| 136 | Q | 74.2 | Confident | 77.5 | Confident | 104 Ų | 104 | 74 Ų | 74 | 49% | 0.486 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -68.5 | -30.8 | -175.6 | -54.9 | -173.5 | -1.9 | 0 | 0 | 112.3 | V103 K104 D105 G138 K139 A140 | V103-Q136 HydrophobicContact CG1-CB 4.22Å; K104-Q136 PolarHBondContact O-OE1 3.05Å; D105-Q136 VanDerWaalsContact OD1-CB 3.27Å; D105-Q136 WeakPolarHBondContact OD1-CB 3.48Å; D105-Q136 WeakPolarHBondContact OD1-CG 3.32Å; Q136-G138 VanDerWaalsContact C-N 3.25Å; Q136-G138 PolarHBondContact O-N 2.81Å; Q136-K139 CarbonylContact O-C 3.59Å; Q136-K139 WeakPolarHBondContact O-CA 3.4Å; Q136-K139 WeakPolarHBondContact O-CB 3.16Å; Q136-K139 PolarHBondContact O-N 2.97Å; Q136-A140 PolarHBondContact O-N 3.08Å; Q136-A140 VanDerWaalsContact O-N 3.15Å |
| 137 | L | 74.1 | Confident | 77.7 | Confident | 15 Ų | 15 | 70.2 Ų | 70.2 | 8% | 0.079 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -59.8 | -35.1 | 174.6 | -170.7 | 63.2 | 0 | 0 | 0 | 112.6 | K78 N79 L101 P133 G135 K139 A140 | K78-L137 VanDerWaalsContact C-CD2 3.43Å; N79-L137 HydrophobicContact CB-CD2 3.58Å; L101-L137 HydrophobicContact CD1-CD1 4.19Å; P133-L137 HydrophobicContact CB-CD2 4.22Å; P133-L137 HydrophobicContact CB-CG 4.42Å; G135-L137 VanDerWaalsContact C-N 3.29Å; G135-L137 PolarHBondContact O-N 3.04Å; L137-K139 PolarHBondContact O-N 2.87Å; L137-A140 WeakPolarHBondContact O-CB 3.43Å; L137-A140 PolarHBondContact O-N 3.18Å |
| 138 | G | 68.7 | Low | 77.9 | Confident | 26 Ų | 26 | 69.2 Ų | 69.2 | 27% | 0.268 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -69.5 | -18 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | P133 G135 Q136 | P133-G138 VanDerWaalsContact O-CA 3.31Å; P133-G138 WeakPolarHBondContact O-CA 3.26Å; G135-G138 PolarHBondContact O-N 3.35Å; Q136-G138 VanDerWaalsContact C-N 3.25Å; Q136-G138 PolarHBondContact O-N 2.81Å |
| 139 | K | 72.6 | Confident | 78.1 | Confident | 184 Ų | 184 | 71 Ų | 71 | 80% | 0.8 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -97.5 | -8.1 | 177.4 | -59 | 179.8 | -177.7 | -179.9 | 0 | 112.8 | Q136 L137 | Q136-K139 CarbonylContact O-C 3.59Å; Q136-K139 WeakPolarHBondContact O-CA 3.4Å; Q136-K139 WeakPolarHBondContact O-CB 3.16Å; Q136-K139 PolarHBondContact O-N 2.97Å; L137-K139 PolarHBondContact O-N 2.87Å |
| 140 | A | 68.9 | Low | 78.5 | Confident | 23 Ų | 23 | 65.1 Ų | 65.1 | 19% | 0.19 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -66.7 | 151 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L101 V103 Q136 L137 S142 | L101-A140 HydrophobicContact CD1-CB 4.27Å; V103-A140 HydrophobicContact CG2-CB 3.44Å; V103-A140 VanDerWaalsContact CG2-CB 3.44Å; Q136-A140 PolarHBondContact O-N 3.08Å; Q136-A140 VanDerWaalsContact O-N 3.15Å; L137-A140 WeakPolarHBondContact O-CB 3.43Å; L137-A140 PolarHBondContact O-N 3.18Å; A140-S142 PolarHBondContact O-N 2.92Å |
| 141 | P | 69.4 | Low | 79.2 | Confident | 85 Ų | 85 | 65.2 Ų | 65.2 | 55% | 0.552 | 36% | 0.363 | S | S | * | . | trans | -58.2 | 140.6 | 172.6 | 24.9 | -33 | 0 | 0 | 0 | 110.1 | L101 S143 | L101-P141 HydrophobicContact CD2-CG 4.49Å; L101-P141 WeakPolarHBondContact CD2-O 3.36Å; P141-S143 PolarHBondContact O-N 3.36Å | ||
| 142 | S | 65.5 | Low | 79.7 | Confident | 99 Ų | 99 | 67 Ų | 67 | 69% | 0.692 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -68.5 | -17 | -170.3 | 46.2 | 0 | 0 | 0 | 0 | 114.5 | Y90 A140 | Y90-S142 PolarHBondContact OH-O 2.87Å; A140-S142 PolarHBondContact O-N 2.92Å |
| 143 | S | 74.7 | Confident | 80.3 | Confident | 84 Ų | 84 | 64.8 Ų | 64.8 | 59% | 0.587 | 36% | 0.364 | S | S | * | . | trans | -152.5 | 138 | 179.6 | 57.8 | 0 | 0 | 0 | 0 | 113.9 | Y90 P141 | Y90-S143 WeakPolarHBondContact OH-CA 3.49Å; P141-S143 PolarHBondContact O-N 3.36Å | ||
| 144 | S | 81.6 | Confident | 80.9 | Confident | 23 Ų | 23 | 68 Ų | 68 | 16% | 0.161 | 38% | 0.384 | C | S | . | . | trans | -119.4 | 129.4 | 170.8 | 176.2 | 0 | 0 | 0 | 0 | 109.5 | G100 M146 L147 L148 | G100-S144 VanDerWaalsContact O-CB 3.3Å; G100-S144 WeakPolarHBondContact O-CB 3.47Å; G100-S144 PolarHBondContact O-OG 3.1Å; S144-M146 VanDerWaalsContact C-N 3.3Å; S144-M146 PolarHBondContact O-N 2.95Å; S144-L147 PolarHBondContact O-N 3.22Å; S144-L148 PolarHBondContact O-N 2.9Å; S144-L148 VanDerWaalsContact O-N 3.08Å | ||
| 145 | D | 83.6 | Confident | 81.5 | Confident | 51 Ų | 51 | 70.1 Ų | 70.1 | 27% | 0.273 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.5 | -39.7 | -178.2 | -178.4 | 46.3 | 0 | 0 | 0 | 112.8 | L147 L148 K149 K290 | D145-L147 VanDerWaalsContact C-N 3.26Å; D145-L147 PolarHBondContact O-N 3.14Å; D145-L148 PolarHBondContact O-N 2.72Å; D145-K149 WeakPolarHBondContact O-CG 3.42Å; D145-K149 PolarHBondContact O-N 3.5Å; D145-K149 IonicContact OD1-NZ 2.89Å; D145-K149 WeakPolarHBondContact OD2-CE 3.27Å; D145-K149 IonicContact OD2-NZ 3.69Å; D145-K149 PolarHBondContact OD2-NZ 3.2Å; D145-K290 WeakPolarHBondContact OD1-CE 3.26Å; D145-K290 IonicContact OD1-NZ 2.74Å; D145-K290 PolarHBondContact OD1-NZ 3.37Å; D145-K290 WeakPolarHBondContact OD2-CE 3.22Å; D145-K290 IonicContact OD2-NZ 3.08Å; D145-K290 PolarHBondContact OD2-NZ 2.84Å |
| 146 | M | 86.2 | Confident | 82.3 | Confident | 58 Ų | 58 | 73.8 Ų | 73.8 | 29% | 0.286 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59 | -41.8 | 177.2 | 172.5 | 175.5 | 157.5 | 0 | 0 | 110.9 | S144 K149 L150 L214 A217 | S144-M146 VanDerWaalsContact C-N 3.3Å; S144-M146 PolarHBondContact O-N 2.95Å; M146-K149 PolarHBondContact O-N 2.85Å; M146-L150 HydrophobicContact CE-CD1 4.21Å; M146-L150 HydrophobicContact CG-CD1 4.32Å; M146-L150 WeakPolarHBondContact O-CG 3.49Å; M146-L150 PolarHBondContact O-N 3.43Å; M146-L150 VanDerWaalsContact O-N 3.14Å; M146-L214 HydrophobicContact CE-CD2 3.53Å; M146-A217 HydrophobicContact CE-CB 3.48Å; M146-A217 VanDerWaalsContact CE-CB 3.48Å; M146-A217 HydrophobicContact CG-CB 4.13Å; M146-A217 HydrophobicContact SD-CB 4.13Å |
| 147 | L | 90.2 | Very high | 83.2 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -69 | -41.3 | 179.3 | -59.4 | -177.3 | 0 | 0 | 0 | 111.4 | Y90 L92 V96 R97 L101 S144 D145 K149 L150 A151 | Y90-L147 HydrophobicContact CD1-CB 3.77Å; Y90-L147 HydrophobicContact CD2-CB 4.45Å; Y90-L147 HydrophobicContact CD2-CD1 4.31Å; Y90-L147 HydrophobicContact CE1-CB 3.87Å; Y90-L147 HydrophobicContact CE2-CD1 4.22Å; Y90-L147 HydrophobicContact CG-CB 4.09Å; L92-L147 HydrophobicContact CD1-CB 4.22Å; L92-L147 HydrophobicContact CD1-CD2 4Å; V96-L147 HydrophobicContact CG1-CD2 3.98Å; V96-L147 WeakPolarHBondContact O-CD2 3.31Å; R97-L147 HydrophobicContact CB-CD1 4.36Å; R97-L147 HydrophobicContact CG-CD1 3.95Å; L101-L147 HydrophobicContact CD2-CD1 4.13Å; L101-L147 HydrophobicContact CG-CD1 3.9Å; S144-L147 PolarHBondContact O-N 3.22Å; D145-L147 VanDerWaalsContact C-N 3.26Å; D145-L147 PolarHBondContact O-N 3.14Å; L147-K149 VanDerWaalsContact C-N 3.31Å; L147-K149 PolarHBondContact O-N 3.3Å; L147-L150 PolarHBondContact O-N 3.35Å; L147-A151 WeakPolarHBondContact O-CB 3.3Å; L147-A151 PolarHBondContact O-N 2.92Å |
| 148 | L | 90.1 | Very high | 84.1 | Confident | 116 Ų | 116 | 76.8 Ų | 76.8 | 61% | 0.607 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -62 | -38.9 | 177.3 | -145.4 | 90.9 | 0 | 0 | 0 | 112.1 | Y90 S144 D145 | Y90-L148 HydrophobicContact CE1-CD1 3.96Å; S144-L148 PolarHBondContact O-N 2.9Å; S144-L148 VanDerWaalsContact O-N 3.08Å; D145-L148 PolarHBondContact O-N 2.72Å |
| 149 | K | 88.4 | Confident | 85.2 | Confident | 85 Ų | 85 | 79 Ų | 79 | 37% | 0.37 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -69.6 | -31.9 | 176.8 | -74.1 | 171.1 | 174.5 | 166.3 | 0 | 113.3 | D145 M146 L147 M220 | D145-K149 WeakPolarHBondContact O-CG 3.42Å; D145-K149 PolarHBondContact O-N 3.5Å; D145-K149 IonicContact OD1-NZ 2.89Å; D145-K149 WeakPolarHBondContact OD2-CE 3.27Å; D145-K149 IonicContact OD2-NZ 3.69Å; D145-K149 PolarHBondContact OD2-NZ 3.2Å; M146-K149 PolarHBondContact O-N 2.85Å; L147-K149 VanDerWaalsContact C-N 3.31Å; L147-K149 PolarHBondContact O-N 3.3Å; K149-M220 HydrophobicContact CB-CE 4.3Å; K149-M220 HydrophobicContact CB-SD 4.06Å; K149-M220 HydrophobicContact CD-SD 4.46Å |
| 150 | L | 90.1 | Very high | 86.2 | Confident | 18 Ų | 18 | 70.3 Ų | 70.3 | 9% | 0.094 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -84 | -24.7 | 177.1 | -75 | 175.8 | 0 | 0 | 0 | 113.2 | L92 V96 M146 L147 A217 M220 | L92-L150 HydrophobicContact CD1-CB 3.9Å; L92-L150 HydrophobicContact CD2-CB 4.26Å; V96-L150 HydrophobicContact CG1-CD1 3.73Å; M146-L150 HydrophobicContact CE-CD1 4.21Å; M146-L150 HydrophobicContact CG-CD1 4.32Å; M146-L150 WeakPolarHBondContact O-CG 3.49Å; M146-L150 PolarHBondContact O-N 3.43Å; M146-L150 VanDerWaalsContact O-N 3.14Å; L147-L150 PolarHBondContact O-N 3.35Å; L150-A217 HydrophobicContact CD1-CB 3.92Å; L150-A217 HydrophobicContact CD2-CB 4.26Å; L150-A217 HydrophobicContact CG-CB 4.32Å; L150-M220 HydrophobicContact CD2-CE 3.47Å; L150-M220 VanDerWaalsContact CD2-CE 3.47Å; L150-M220 HydrophobicContact CG-CE 4.02Å |
| 151 | A | 92.1 | Very high | 87.3 | Confident | 27 Ų | 27 | 73.8 Ų | 73.8 | 22% | 0.223 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -58.4 | 141.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y90 L147 | Y90-A151 HydrophobicContact CD1-CB 4.39Å; Y90-A151 WeakPolarHBondContact O-CB 3.48Å; L147-A151 WeakPolarHBondContact O-CB 3.3Å; L147-A151 PolarHBondContact O-N 2.92Å |
| 152 | R | 91.4 | Very high | 88.5 | Confident | 147 Ų | 147 | 70.7 Ų | 70.7 | 56% | 0.555 | 37% | 0.365 | S | S | * | . | trans | -85.3 | 128.7 | 177.2 | -68.8 | -179.4 | 176.8 | -175.8 | -1.9 | 109.3 | Y156 | R152-Y156 VanDerWaalsContact NH1-CB 3.31Š| ||
| 153 | T | 90.8 | Very high | 89.9 | Confident | 142 Ų | 142 | 71.6 Ų | 71.6 | 87% | 0.871 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -79 | -29.4 | 176 | 54.5 | 0 | 0 | 0 | 0 | 112.8 | ||
| 154 | T | 91 | Very high | 90.8 | Very high | 103 Ų | 103 | 69.9 Ų | 69.9 | 63% | 0.632 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -108.1 | 141.8 | -178.6 | 55.7 | 0 | 0 | 0 | 0 | 112.1 | ||
| 155 | P | 92.2 | Very high | 91.5 | Very high | 59 Ų | 59 | 69 Ų | 69 | 38% | 0.383 | 34% | 0.336 | S | S | . | . | trans | -59.8 | 136.9 | 175.7 | -24.5 | 33.9 | 0 | 0 | 0 | 112.9 | T26 Y157 | T26-P155 WeakPolarHBondContact OG1-CA 3.49Å; P155-Y157 HydrophobicContact CB-CD1 4.31Å; P155-Y157 HydrophobicContact CB-CD2 4.3Å; P155-Y157 HydrophobicContact CB-CE1 3.8Å; P155-Y157 HydrophobicContact CB-CE2 3.77Å; P155-Y157 VanDerWaalsContact CB-CZ 3.5Å; P155-Y157 HydrophobicContact CG-CE2 4.34Å; P155-Y157 PolarHBondContact O-N 3.48Å | ||
| 156 | Y | 93.3 | Very high | 92 | Very high | 101 Ų | 101 | 70 Ų | 70 | 40% | 0.396 | 35% | 0.347 | S | S | . | . | trans | -98.1 | 74.5 | 179.5 | -172.6 | -111.2 | 0 | 0 | 0 | 112.3 | T26 R152 K158 R159 | T26-Y156 VanDerWaalsContact CG2-C 3.47Å; T26-Y156 VanDerWaalsContact CG2-O 3.24Å; T26-Y156 WeakPolarHBondContact CG2-O 3.31Å; T26-Y156 PolarHBondContact OG1-N 3.16Å; R152-Y156 VanDerWaalsContact NH1-CB 3.31Å; Y156-K158 HydrophobicContact CD1-CB 4.36Å; Y156-K158 HydrophobicContact CD2-CB 4.44Å; Y156-K158 HydrophobicContact CE1-CB 3.79Å; Y156-K158 HydrophobicContact CE2-CB 3.89Å; Y156-K158 HydrophobicContact CE2-CD 3.75Å; Y156-K158 HydrophobicContact CE2-CG 4.05Å; Y156-K158 PolarHBondContact O-N 3.16Å; Y156-K158 VanDerWaalsContact O-N 3.12Å; Y156-R159 HydrophobicContact CD1-CB 4.23Å; Y156-R159 PolarHBondContact O-N 3.4Å | ||
| 157 | Y | 93 | Very high | 92.5 | Very high | 63 Ų | 63 | 72.9 Ų | 72.9 | 25% | 0.247 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -66.6 | -12.7 | -175.6 | -62.7 | -51.8 | 0 | 0 | 0 | 115.1 | T26 G29 E30 P155 R159 N160 | T26-Y157 HydrophobicContact CG2-CD1 4.35Å; G29-Y157 PolarHBondContact O-OH 3.37Å; E30-Y157 WeakPolarHBondContact CA-OH 3.48Å; E30-Y157 HydrophobicContact CB-CE1 4.37Å; E30-Y157 HydrophobicContact CB-CE2 3.9Å; P155-Y157 HydrophobicContact CB-CD1 4.31Å; P155-Y157 HydrophobicContact CB-CD2 4.3Å; P155-Y157 HydrophobicContact CB-CE1 3.8Å; P155-Y157 HydrophobicContact CB-CE2 3.77Å; P155-Y157 VanDerWaalsContact CB-CZ 3.5Å; P155-Y157 HydrophobicContact CG-CE2 4.34Å; P155-Y157 PolarHBondContact O-N 3.48Å; Y157-R159 PolarHBondContact O-N 2.88Å; Y157-N160 WeakPolarHBondContact O-CB 3.49Å; Y157-N160 PolarHBondContact O-N 3.49Å |
| 158 | K | 92.3 | Very high | 92.8 | Very high | 119 Ų | 119 | 77.8 Ų | 77.8 | 52% | 0.517 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -56.3 | -24.8 | 171.8 | -66.7 | -173.7 | -177.8 | 177.9 | 0 | 112.6 | Y156 N160 R161 | Y156-K158 HydrophobicContact CD1-CB 4.36Å; Y156-K158 HydrophobicContact CD2-CB 4.44Å; Y156-K158 HydrophobicContact CE1-CB 3.79Å; Y156-K158 HydrophobicContact CE2-CB 3.89Å; Y156-K158 HydrophobicContact CE2-CD 3.75Å; Y156-K158 HydrophobicContact CE2-CG 4.05Å; Y156-K158 PolarHBondContact O-N 3.16Å; Y156-K158 VanDerWaalsContact O-N 3.12Å; K158-N160 VanDerWaalsContact C-N 3.3Å; K158-N160 PolarHBondContact O-N 3.19Å; K158-R161 WeakPolarHBondContact O-CB 3.33Å; K158-R161 WeakPolarHBondContact O-CG 3.42Å; K158-R161 PolarHBondContact O-N 3.08Å |
| 159 | R | 92.1 | Very high | 93 | Very high | 73 Ų | 73 | 76 Ų | 76 | 28% | 0.275 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -65.7 | -29.2 | 173.8 | 178.3 | 178.9 | -73.1 | 172.5 | -9.8 | 113.6 | L86 Y156 Y157 R161 | L86-R159 VanDerWaalsContact CD1-NH2 3.29Å; Y156-R159 HydrophobicContact CD1-CB 4.23Å; Y156-R159 PolarHBondContact O-N 3.4Å; Y157-R159 PolarHBondContact O-N 2.88Å; R159-R161 PolarHBondContact O-N 3.14Å |
| 160 | N | 93.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 79 Ų | 79 | 1% | 0.005 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -83.9 | -1.2 | -176.9 | -60.6 | -15.6 | 0 | 0 | 0 | 112.4 | T26 P59 M63 R64 K66 Y157 K158 | T26-N160 PolarHBondContact O-ND2 2.83Å; T26-N160 PolarHBondContact O-OD1 3.07Å; P59-N160 HydrophobicContact CB-CB 4.39Å; P59-N160 HydrophobicContact CG-CB 4.3Å; M63-N160 HydrophobicContact CB-CB 4.33Å; M63-N160 HydrophobicContact CG-CB 4.25Å; M63-N160 HydrophobicContact SD-CB 3.62Å; R64-N160 WeakPolarHBondContact CG-O 3.23Å; R64-N160 PolarHBondContact N-O 3.07Å; K66-N160 HydrophobicContact CD-CB 4.34Å; K66-N160 VanDerWaalsContact CD-OD1 3.29Å; K66-N160 WeakPolarHBondContact CD-OD1 3.47Å; K66-N160 PolarHBondContact NZ-OD1 3.25Å; Y157-N160 WeakPolarHBondContact O-CB 3.49Å; Y157-N160 PolarHBondContact O-N 3.49Å; K158-N160 VanDerWaalsContact C-N 3.3Å; K158-N160 PolarHBondContact O-N 3.19Å |
| 161 | R | 93.4 | Very high | 93.4 | Very high | 96 Ų | 96 | 81.4 Ų | 81.4 | 36% | 0.362 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -65.9 | 148.9 | 179.8 | -71.2 | -177.2 | 178 | -170.8 | -4.8 | 111.7 | R64 K158 R159 R182 | R64-R161 WeakPolarHBondContact CD-O 3.25Å; R64-R161 PolarHBondContact NH1-O 3.49Å; K158-R161 WeakPolarHBondContact O-CB 3.33Å; K158-R161 WeakPolarHBondContact O-CG 3.42Å; K158-R161 PolarHBondContact O-N 3.08Å; R159-R161 PolarHBondContact O-N 3.14Å; R161-R182 VanDerWaalsContact CD-CZ 3.48Å |
| 162 | P | 94.3 | Very high | 93.6 | Very high | 19 Ų | 19 | 86.1 Ų | 86.1 | 12% | 0.123 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -52.6 | 154.3 | 169.8 | -25.1 | 34.3 | 0 | 0 | 0 | 112.6 | R62 P180 R182 | R62-P162 WeakPolarHBondContact O-CD 3.32Å; P162-P180 VanDerWaalsContact CB-O 3.23Å; P162-P180 WeakPolarHBondContact CB-O 3.31Å; P162-P180 VanDerWaalsContact CG-O 3.25Å; P162-P180 WeakPolarHBondContact CG-O 3.18Å; P162-R182 HydrophobicContact CB-CG 4.34Å; P162-R182 WeakPolarHBondContact O-CD 3.14Å |
| 163 | H | 93.7 | Very high | 93.8 | Very high | 118 Ų | 118 | 80.5 Ų | 80.5 | 55% | 0.546 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 164.1 | 168.4 | -68.3 | -74.1 | 0 | 0 | 0 | 110.3 | Y181 R182 | H163-Y181 HydrophobicContact CB-CD1 4.41Å; H163-Y181 WeakPolarHBondContact O-CB 3.49Å; H163-R182 PolarHBondContact O-N 2.91Å |
| 164 | I | 94.6 | Very high | 94.1 | Very high | 49 Ų | 49 | 83.8 Ų | 83.8 | 25% | 0.251 | 42% | 0.415 | S | S | . | . | B | Isolated β-bridge | trans | -75.9 | 138.6 | 178.5 | -60.7 | 168.8 | 0 | 0 | 0 | 108.4 | S166 V169 R182 E184 P186 | I164-S166 PolarHBondContact O-N 3.31Å; I164-V169 HydrophobicContact CG2-CG2 3.79Å; I164-R182 WeakPolarHBondContact CA-O 3.34Å; I164-E184 HydrophobicContact CD1-CG 4.17Å; I164-E184 HydrophobicContact CG1-CG 4.04Å; I164-E184 VanDerWaalsContact CG2-O 3.22Å; I164-E184 WeakPolarHBondContact CG2-O 3.22Å; I164-P186 HydrophobicContact CD1-CB 4.04Å; I164-P186 HydrophobicContact CD1-CG 4.17Å; I164-P186 HydrophobicContact CG2-CG 4.07Å |
| 165 | C | 95.7 | Very high | 94.2 | Very high | 5 Ų | 5 | 84.5 Ų | 84.5 | 3% | 0.034 | 41% | 0.406 | C | S | . | . | trans | -69.5 | 112.2 | 179.3 | -176.3 | 0 | 0 | 0 | 0 | 109.5 | F167 W168 V169 R182 | C165-F167 VanDerWaalsContact C-N 3.26Å; C165-F167 PolarHBondContact O-N 2.88Å; C165-W168 HydrophobicContact CB-CB 3.68Å; C165-W168 PolarHBondContact O-N 3.34Å; C165-W168 VanDerWaalsContact O-N 3.16Å; C165-W168 PolarHBondContact SG-N 3.31Å; C165-W168 VanDerWaalsContact SG-N 3.4Å; C165-V169 WeakPolarHBondContact O-CG2 3.47Å; C165-V169 PolarHBondContact O-N 3.15Å; C165-V169 VanDerWaalsContact O-N 3.14Å; C165-R182 PolarHBondContact N-O 3.2Å | ||
| 166 | S | 94.4 | Very high | 94.2 | Very high | 72 Ų | 72 | 83 Ų | 83 | 50% | 0.503 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.1 | -34.5 | 176.4 | 52.9 | 0 | 0 | 0 | 0 | 112.6 | I164 V169 K170 | I164-S166 PolarHBondContact O-N 3.31Å; S166-V169 PolarHBondContact O-N 3.35Å; S166-K170 WeakPolarHBondContact O-CG 3.47Å; S166-K170 PolarHBondContact O-N 2.99Å |
| 167 | F | 95.9 | Very high | 94.1 | Very high | 118 Ų | 118 | 87.3 Ų | 87.3 | 52% | 0.518 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -69.2 | -32.9 | 176 | -65.1 | -81.9 | 0 | 0 | 0 | 112.7 | C165 K170 G171 E172 C173 | C165-F167 VanDerWaalsContact C-N 3.26Å; C165-F167 PolarHBondContact O-N 2.88Å; F167-K170 PolarHBondContact O-N 3.43Å; F167-G171 PolarHBondContact O-N 3.26Å; F167-G171 VanDerWaalsContact O-N 3.14Å; F167-E172 PolarHBondContact O-N 3.16Å; F167-C173 HydrophobicContact CB-CB 4.23Å; F167-C173 PolarHBondContact O-N 2.91Å |
| 168 | W | 95.9 | Very high | 94.2 | Very high | 102 Ų | 102 | 91.7 Ų | 91.7 | 39% | 0.386 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -70.8 | -39.9 | 176 | -180 | 83.9 | 0 | 0 | 0 | 111.3 | C165 K170 G171 C173 H183 E184 | C165-W168 HydrophobicContact CB-CB 3.68Å; C165-W168 PolarHBondContact O-N 3.34Å; C165-W168 VanDerWaalsContact O-N 3.16Å; C165-W168 PolarHBondContact SG-N 3.31Å; C165-W168 VanDerWaalsContact SG-N 3.4Å; W168-K170 PolarHBondContact O-N 3.33Å; W168-G171 PolarHBondContact O-N 2.81Å; W168-C173 HydrophobicContact CB-CB 3.9Å; W168-H183 WeakPolarHBondContact CB-CD2 3.36Å; W168-H183 AromaticContact CD1-CD2 3.57Å; W168-H183 AromaticContact CD1-CE1 3.89Å; W168-H183 AromaticContact CD1-CG 3.36Å; W168-H183 AromaticContact CD1-ND1 3.59Å; W168-H183 AromaticContact CD1-NE2 3.9Å; W168-H183 HydrophobicContact CD2-CB 3.77Å; W168-H183 HydrophobicContact CE3-CB 4.5Å; W168-H183 HydrophobicContact CG-CB 3.83Å; W168-H183 AromaticContact CG-CD2 3.38Å; W168-H183 AromaticContact CG-CG 3.55Å; W168-H183 AromaticContact CG-NE2 3.94Å; W168-H183 HydrophobicContact CZ2-CB 4.24Å; W168-H183 AromaticContact NE1-CG 3.75Å; W168-E184 VanDerWaalsContact CZ3-O 3.22Å; W168-E184 WeakPolarHBondContact CZ3-O 3.42Å |
| 169 | V | 94.6 | Very high | 94.2 | Very high | 78 Ų | 78 | 86.8 Ų | 86.8 | 47% | 0.473 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59 | -31.7 | 174 | 176.7 | 0 | 0 | 0 | 0 | 111.4 | I164 C165 S166 P186 | I164-V169 HydrophobicContact CG2-CG2 3.79Å; C165-V169 WeakPolarHBondContact O-CG2 3.47Å; C165-V169 PolarHBondContact O-N 3.15Å; C165-V169 VanDerWaalsContact O-N 3.14Å; S166-V169 PolarHBondContact O-N 3.35Å; V169-P186 HydrophobicContact CG1-CG 4.42Å; V169-P186 HydrophobicContact CG2-CG 3.66Å |
| 170 | K | 94.3 | Very high | 94.3 | Very high | 149 Ų | 149 | 87 Ų | 87 | 65% | 0.648 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -9.5 | 173.9 | -65.3 | 177.5 | -177.7 | -172.7 | 0 | 114.6 | S166 F167 W168 E172 | S166-K170 WeakPolarHBondContact O-CG 3.47Å; S166-K170 PolarHBondContact O-N 2.99Å; F167-K170 PolarHBondContact O-N 3.43Å; W168-K170 PolarHBondContact O-N 3.33Å; K170-E172 HydrophobicContact CB-CG 4.44Å |
| 171 | G | 94.3 | Very high | 94.4 | Very high | 69 Ų | 69 | 92.6 Ų | 92.6 | 71% | 0.711 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | 9.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | F167 W168 | F167-G171 PolarHBondContact O-N 3.26Å; F167-G171 VanDerWaalsContact O-N 3.14Å; W168-G171 PolarHBondContact O-N 2.81Å |
| 172 | E | 95.6 | Very high | 94.4 | Very high | 126 Ų | 126 | 90.9 Ų | 90.9 | 59% | 0.589 | 46% | 0.455 | S | S | * | . | trans | -110.3 | 15.2 | -172.4 | -61.6 | 178.6 | 159.2 | 0 | 0 | 113.3 | F167 K170 K174 | F167-E172 PolarHBondContact O-N 3.16Å; K170-E172 HydrophobicContact CB-CG 4.44Å; E172-K174 PolarHBondContact O-N 3.02Å | ||
| 173 | C | 96.1 | Very high | 94.4 | Very high | 28 Ų | 28 | 93.2 Ų | 93.2 | 19% | 0.189 | 46% | 0.464 | C | S | . | . | trans | -72.9 | 95.3 | -178.1 | -169.9 | 0 | 0 | 0 | 0 | 111.9 | F167 W168 R175 H183 | F167-C173 HydrophobicContact CB-CB 4.23Å; F167-C173 PolarHBondContact O-N 2.91Å; W168-C173 HydrophobicContact CB-CB 3.9Å; C173-R175 PolarHBondContact O-N 3.41Å; C173-H183 PolarHBondContact SG-NE2 3.15Å | ||
| 174 | K | 95.4 | Very high | 94.3 | Very high | 211 Ų | 211 | 90.9 Ų | 90.9 | 92% | 0.917 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -9.9 | 177.2 | -60.7 | -175.8 | -178.2 | -178.2 | 0 | 114.7 | E172 G176 | E172-K174 PolarHBondContact O-N 3.02Å; K174-G176 VanDerWaalsContact C-N 3.34Å |
| 175 | R | 94.8 | Very high | 94.2 | Very high | 118 Ų | 118 | 95.2 Ų | 95.2 | 45% | 0.445 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -10.6 | -177.2 | -63.9 | 176.5 | 68.3 | 169.8 | 11.6 | 113.6 | C173 E177 E178 C179 | C173-R175 PolarHBondContact O-N 3.41Å; R175-E177 PolarHBondContact O-N 3.01Å; R175-E178 WeakPolarHBondContact O-CB 3.33Å; R175-E178 PolarHBondContact O-N 3.13Å; R175-C179 HydrophobicContact CB-CB 3.89Å; R175-C179 PolarHBondContact O-N 3.47Å |
| 176 | G | 92.1 | Very high | 94 | Very high | 29 Ų | 29 | 97.4 Ų | 97.4 | 30% | 0.299 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | 51.1 | -131.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K174 E178 C179 H183 | K174-G176 VanDerWaalsContact C-N 3.34Å; G176-E178 VanDerWaalsContact C-N 3.29Å; G176-E178 PolarHBondContact O-N 3.13Å; G176-C179 VanDerWaalsContact O-CB 3.31Å; G176-C179 WeakPolarHBondContact O-CB 3.5Å; G176-C179 PolarHBondContact O-N 2.8Å; G176-H183 PolarHBondContact O-CE1 2.78Å |
| 177 | E | 91.2 | Very high | 93.8 | Very high | 191 Ų | 191 | 98.5 Ų | 98.5 | 89% | 0.893 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -70.4 | -18 | 178.1 | 68.8 | -81.1 | -169.7 | 0 | 0 | 114.5 | R175 C179 | R175-E177 PolarHBondContact O-N 3.01Å; E177-C179 PolarHBondContact O-N 2.66Å |
| 178 | E | 93.6 | Very high | 93.4 | Very high | 155 Ų | 155 | 96.7 Ų | 96.7 | 72% | 0.724 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -79.3 | -8.6 | 177 | -154.3 | -157.1 | 152.1 | 0 | 0 | 112 | R175 G176 P180 | R175-E178 WeakPolarHBondContact O-CB 3.33Å; R175-E178 PolarHBondContact O-N 3.13Å; G176-E178 VanDerWaalsContact C-N 3.29Å; G176-E178 PolarHBondContact O-N 3.13Å; E178-P180 WeakPolarHBondContact O-CD 3.31Å |
| 179 | C | 94 | Very high | 93 | Very high | 16 Ų | 16 | 97 Ų | 97 | 11% | 0.108 | 50% | 0.499 | C | S | . | . | trans | -63.4 | 119.1 | 179.1 | -168.3 | 0 | 0 | 0 | 0 | 111.5 | R175 G176 E177 Y181 H183 | R175-C179 HydrophobicContact CB-CB 3.89Å; R175-C179 PolarHBondContact O-N 3.47Å; G176-C179 VanDerWaalsContact O-CB 3.31Å; G176-C179 WeakPolarHBondContact O-CB 3.5Å; G176-C179 PolarHBondContact O-N 2.8Å; E177-C179 PolarHBondContact O-N 2.66Å; C179-Y181 PolarHBondContact O-N 2.73Å; C179-H183 WeakPolarHBondContact CB-NE2 3.43Å; C179-H183 PolarHBondContact SG-NE2 2.74Å; C179-H183 VanDerWaalsContact SG-NE2 3.43Å | ||
| 180 | P | 92.3 | Very high | 92.6 | Very high | 78 Ų | 78 | 100.5 Ų | 100.5 | 51% | 0.506 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -71.8 | -13.3 | 177.7 | -19.6 | 33.4 | 0 | 0 | 0 | 113.4 | P162 E178 | P162-P180 VanDerWaalsContact CB-O 3.23Å; P162-P180 WeakPolarHBondContact CB-O 3.31Å; P162-P180 VanDerWaalsContact CG-O 3.25Å; P162-P180 WeakPolarHBondContact CG-O 3.18Å; E178-P180 WeakPolarHBondContact O-CD 3.31Å |
| 181 | Y | 95.3 | Very high | 92.4 | Very high | 118 Ų | 118 | 96.4 Ų | 96.4 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -88.8 | 157.5 | 177.9 | -62.7 | -76.8 | 0 | 0 | 0 | 110.6 | H163 C179 | H163-Y181 HydrophobicContact CB-CD1 4.41Å; H163-Y181 WeakPolarHBondContact O-CB 3.49Å; C179-Y181 PolarHBondContact O-N 2.73Å |
| 182 | R | 94.3 | Very high | 91.8 | Very high | 60 Ų | 60 | 98 Ų | 98 | 23% | 0.226 | 50% | 0.498 | C | S | . | . | B | Isolated β-bridge | trans | -79.8 | 139.1 | -176.7 | -69.3 | 162.9 | 75 | -160.8 | 6.4 | 111.6 | R161 P162 H163 I164 C165 E184 | R161-R182 VanDerWaalsContact CD-CZ 3.48Å; P162-R182 HydrophobicContact CB-CG 4.34Å; P162-R182 WeakPolarHBondContact O-CD 3.14Å; H163-R182 PolarHBondContact O-N 2.91Å; I164-R182 WeakPolarHBondContact CA-O 3.34Å; C165-R182 PolarHBondContact N-O 3.2Å; R182-E184 HydrophobicContact CB-CG 4.09Å; R182-E184 IonicContact CZ-OE1 2.85Å; R182-E184 IonicContact CZ-OE2 3.08Å; R182-E184 IonicContact NE-OE1 3.19Å; R182-E184 PolarHBondContact NE-OE1 3.44Å; R182-E184 IonicContact NE-OE2 3.78Å; R182-E184 PolarHBondContact NE-OE2 3.44Å; R182-E184 VanDerWaalsContact NE-OE2 3.08Å; R182-E184 IonicContact NH1-OE1 2.7Å; R182-E184 PolarHBondContact NH1-OE1 2.88Å; R182-E184 VanDerWaalsContact NH1-OE1 3.08Å; R182-E184 IonicContact NH2-OE1 3.89Å; R182-E184 PolarHBondContact NH2-OE1 3.28Å; R182-E184 IonicContact NH2-OE2 3.9Å; R182-E184 PolarHBondContact NH2-OE2 3.05Å |
| 183 | H | 94.9 | Very high | 91.4 | Very high | 68 Ų | 68 | 94.5 Ų | 94.5 | 32% | 0.315 | 48% | 0.483 | S | S | . | . | trans | -102.1 | 73.4 | 173.3 | -69 | 175 | 0 | 0 | 0 | 109.1 | W168 C173 G176 C179 | W168-H183 WeakPolarHBondContact CB-CD2 3.36Å; W168-H183 AromaticContact CD1-CD2 3.57Å; W168-H183 AromaticContact CD1-CE1 3.89Å; W168-H183 AromaticContact CD1-CG 3.36Å; W168-H183 AromaticContact CD1-ND1 3.59Å; W168-H183 AromaticContact CD1-NE2 3.9Å; W168-H183 HydrophobicContact CD2-CB 3.77Å; W168-H183 HydrophobicContact CE3-CB 4.5Å; W168-H183 HydrophobicContact CG-CB 3.83Å; W168-H183 AromaticContact CG-CD2 3.38Å; W168-H183 AromaticContact CG-CG 3.55Å; W168-H183 AromaticContact CG-NE2 3.94Å; W168-H183 HydrophobicContact CZ2-CB 4.24Å; W168-H183 AromaticContact NE1-CG 3.75Å; C173-H183 PolarHBondContact SG-NE2 3.15Å; G176-H183 PolarHBondContact O-CE1 2.78Å; C179-H183 WeakPolarHBondContact CB-NE2 3.43Å; C179-H183 PolarHBondContact SG-NE2 2.74Å; C179-H183 VanDerWaalsContact SG-NE2 3.43Å | ||
| 184 | E | 92.1 | Very high | 90.7 | Very high | 68 Ų | 68 | 95.4 Ų | 95.4 | 32% | 0.318 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -144.4 | 163 | 178.8 | 66.6 | 178.7 | -150.3 | 0 | 0 | 110.3 | I164 W168 R182 P186 | I164-E184 HydrophobicContact CD1-CG 4.17Å; I164-E184 HydrophobicContact CG1-CG 4.04Å; I164-E184 VanDerWaalsContact CG2-O 3.22Å; I164-E184 WeakPolarHBondContact CG2-O 3.22Å; W168-E184 VanDerWaalsContact CZ3-O 3.22Å; W168-E184 WeakPolarHBondContact CZ3-O 3.42Å; R182-E184 HydrophobicContact CB-CG 4.09Å; R182-E184 IonicContact CZ-OE1 2.85Å; R182-E184 IonicContact CZ-OE2 3.08Å; R182-E184 IonicContact NE-OE1 3.19Å; R182-E184 PolarHBondContact NE-OE1 3.44Å; R182-E184 IonicContact NE-OE2 3.78Å; R182-E184 PolarHBondContact NE-OE2 3.44Å; R182-E184 VanDerWaalsContact NE-OE2 3.08Å; R182-E184 IonicContact NH1-OE1 2.7Å; R182-E184 PolarHBondContact NH1-OE1 2.88Å; R182-E184 VanDerWaalsContact NH1-OE1 3.08Å; R182-E184 IonicContact NH2-OE1 3.89Å; R182-E184 PolarHBondContact NH2-OE1 3.28Å; R182-E184 IonicContact NH2-OE2 3.9Å; R182-E184 PolarHBondContact NH2-OE2 3.05Å; E184-P186 WeakPolarHBondContact O-CD 3.22Å |
| 185 | K | 91.2 | Very high | 89.9 | Confident | 141 Ų | 141 | 91.9 Ų | 91.9 | 61% | 0.613 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 128.8 | 179.2 | -163.5 | -168.9 | 172.8 | -157.8 | 0 | 110.8 | D188 | K185-D188 VanDerWaalsContact CE-OD1 3.3Å; K185-D188 WeakPolarHBondContact CE-OD1 3.44Å; K185-D188 VanDerWaalsContact NZ-CG 3.33Å; K185-D188 IonicContact NZ-OD1 3.98Å; K185-D188 PolarHBondContact NZ-OD1 3.37Å; K185-D188 IonicContact NZ-OD2 2.68Å; K185-D188 PolarHBondContact NZ-OD2 3.28Å; K185-D188 VanDerWaalsContact NZ-OD2 3.1Å |
| 186 | P | 92.1 | Very high | 89.3 | Confident | 50 Ų | 50 | 90.1 Ų | 90.1 | 33% | 0.325 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 155.7 | 165.8 | -22.4 | 32.9 | 0 | 0 | 0 | 112.9 | I164 V169 E184 D188 | I164-P186 HydrophobicContact CD1-CB 4.04Å; I164-P186 HydrophobicContact CD1-CG 4.17Å; I164-P186 HydrophobicContact CG2-CG 4.07Å; V169-P186 HydrophobicContact CG1-CG 4.42Å; V169-P186 HydrophobicContact CG2-CG 3.66Å; E184-P186 WeakPolarHBondContact O-CD 3.22Å; P186-D188 PolarHBondContact O-N 2.7Å |
| 187 | T | 89.6 | Confident | 89.2 | Confident | 95 Ų | 95 | 92.1 Ų | 92.1 | 58% | 0.583 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 136.8 | 164.7 | -51 | 0 | 0 | 0 | 0 | 108.7 | D191 A194 | T187-D191 HydrophobicContact CG2-CB 4.13Å; T187-A194 HydrophobicContact CG2-CB 4.49Å |
| 188 | D | 88 | Confident | 89.1 | Confident | 81 Ų | 81 | 85.4 Ų | 85.4 | 43% | 0.433 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -64 | 135.8 | 178.9 | -64.9 | -54 | 0 | 0 | 0 | 109.9 | K185 P186 D190 D191 | K185-D188 VanDerWaalsContact CE-OD1 3.3Å; K185-D188 WeakPolarHBondContact CE-OD1 3.44Å; K185-D188 VanDerWaalsContact NZ-CG 3.33Å; K185-D188 IonicContact NZ-OD1 3.98Å; K185-D188 PolarHBondContact NZ-OD1 3.37Å; K185-D188 IonicContact NZ-OD2 2.68Å; K185-D188 PolarHBondContact NZ-OD2 3.28Å; K185-D188 VanDerWaalsContact NZ-OD2 3.1Å; P186-D188 PolarHBondContact O-N 2.7Å; D188-D190 PolarHBondContact O-N 2.9Å; D188-D191 WeakPolarHBondContact O-CB 3.37Å; D188-D191 PolarHBondContact O-N 3.38Å; D188-D191 VanDerWaalsContact O-N 3.12Å |
| 189 | P | 87.5 | Confident | 89.1 | Confident | 109 Ų | 109 | 82.4 Ų | 82.4 | 71% | 0.708 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -21.2 | -176.6 | 27.6 | -35.2 | 0 | 0 | 0 | 113 | D191 | P189-D191 VanDerWaalsContact C-N 3.25Å; P189-D191 PolarHBondContact O-N 2.89Å |
| 190 | D | 86.8 | Confident | 88.9 | Confident | 151 Ų | 151 | 84.5 Ų | 84.5 | 81% | 0.807 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -9.3 | 176.9 | -55.4 | -47.5 | 0 | 0 | 0 | 112.9 | D188 P192 | D188-D190 PolarHBondContact O-N 2.9Å; D190-P192 WeakPolarHBondContact O-CD 3.42Å |
| 191 | D | 88.6 | Confident | 89 | Confident | 62 Ų | 62 | 82.8 Ų | 82.8 | 33% | 0.332 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -71.1 | 122.1 | 171.8 | -173.4 | -11.6 | 0 | 0 | 0 | 108.6 | T187 D188 P189 L193 A194 | T187-D191 HydrophobicContact CG2-CB 4.13Å; D188-D191 WeakPolarHBondContact O-CB 3.37Å; D188-D191 PolarHBondContact O-N 3.38Å; D188-D191 VanDerWaalsContact O-N 3.12Å; P189-D191 VanDerWaalsContact C-N 3.25Å; P189-D191 PolarHBondContact O-N 2.89Å; D191-L193 PolarHBondContact O-N 3.5Å; D191-L193 VanDerWaalsContact OD1-CB 3.23Å; D191-L193 WeakPolarHBondContact OD1-CB 3.24Å; D191-L193 PolarHBondContact OD1-N 3.36Å; D191-A194 VanDerWaalsContact O-CB 3.26Å; D191-A194 WeakPolarHBondContact O-CB 3.35Å; D191-A194 PolarHBondContact O-N 3.24Å |
| 192 | P | 83.3 | Confident | 88.8 | Confident | 103 Ų | 103 | 77.2 Ų | 77.2 | 67% | 0.669 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -15.5 | 175.7 | 25.1 | -36.4 | 0 | 0 | 0 | 113 | D190 A194 P208 | D190-P192 WeakPolarHBondContact O-CD 3.42Å; P192-A194 VanDerWaalsContact C-N 3.32Å; P192-P208 WeakPolarHBondContact O-CB 3.39Å; P192-P208 VanDerWaalsContact O-CG 3.23Å; P192-P208 WeakPolarHBondContact O-CG 3.49Å |
| 193 | L | 86.2 | Confident | 88.7 | Confident | 53 Ų | 53 | 75.8 Ų | 75.8 | 28% | 0.277 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -13.3 | 174.6 | -161.5 | 62.2 | 0 | 0 | 0 | 114.2 | D191 Q196 P208 V209 | D191-L193 PolarHBondContact O-N 3.5Å; D191-L193 VanDerWaalsContact OD1-CB 3.23Å; D191-L193 WeakPolarHBondContact OD1-CB 3.24Å; D191-L193 PolarHBondContact OD1-N 3.36Å; L193-Q196 PolarHBondContact O-NE2 2.97Å; L193-P208 HydrophobicContact CD1-CB 4.47Å; L193-P208 HydrophobicContact CD1-CG 4.46Å; L193-V209 HydrophobicContact CD1-CB 4.19Å; L193-V209 HydrophobicContact CD1-CG2 3.43Å; L193-V209 VanDerWaalsContact CD1-CG2 3.43Å |
| 194 | A | 81.6 | Confident | 88.4 | Confident | 47 Ų | 47 | 73.3 Ų | 73.3 | 39% | 0.388 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -77.1 | -36.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T187 D191 P192 Q196 | T187-A194 HydrophobicContact CG2-CB 4.49Å; D191-A194 VanDerWaalsContact O-CB 3.26Å; D191-A194 WeakPolarHBondContact O-CB 3.35Å; D191-A194 PolarHBondContact O-N 3.24Å; P192-A194 VanDerWaalsContact C-N 3.32Å; A194-Q196 PolarHBondContact O-N 3.23Å |
| 195 | D | 78.4 | Confident | 88.2 | Confident | 137 Ų | 137 | 72.1 Ų | 72.1 | 73% | 0.733 | 39% | 0.393 | S | S | * | . | trans | -83.5 | 107.1 | 176.6 | -163.7 | 5.7 | 0 | 0 | 0 | 110.4 | ||||
| 196 | Q | 82.3 | Confident | 88 | Confident | 81 Ų | 81 | 71.4 Ų | 71.4 | 38% | 0.379 | 40% | 0.396 | S | S | . | . | trans | -132.7 | 85.6 | -177.2 | -74.4 | -173.9 | 23.8 | 0 | 0 | 110.4 | L193 A194 P208 | L193-Q196 PolarHBondContact O-NE2 2.97Å; A194-Q196 PolarHBondContact O-N 3.23Å; Q196-P208 HydrophobicContact CG-CG 4.48Å | ||
| 197 | N | 90.1 | Very high | 87.9 | Confident | 70 Ų | 70 | 69.1 Ų | 69.1 | 37% | 0.374 | 38% | 0.381 | S | S | . | . | trans | -68.6 | 135.9 | 171.2 | -176.5 | 0.2 | 0 | 0 | 0 | 111 | K199 D200 R201 | N197-K199 VanDerWaalsContact C-N 3.3Å; N197-K199 PolarHBondContact O-N 3.46Å; N197-K199 PolarHBondContact OD1-N 3.38Å; N197-K199 VanDerWaalsContact OD1-N 3.16Å; N197-D200 HydrophobicContact CB-CB 4.1Å; N197-D200 WeakPolarHBondContact CB-OD2 3.33Å; N197-D200 PolarHBondContact ND2-OD2 3.35Å; N197-D200 PolarHBondContact O-N 3.02Å; N197-R201 WeakPolarHBondContact O-CG 3.43Å; N197-R201 PolarHBondContact O-N 3.34Å | ||
| 198 | I | 89.9 | Confident | 88 | Confident | 50 Ų | 50 | 65.9 Ų | 65.9 | 26% | 0.256 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.5 | -32.9 | -178.6 | -161.1 | 162.7 | 0 | 0 | 0 | 112.6 | K46 E69 L85 Y202 | K46-I198 HydrophobicContact CB-CD1 3.89Å; K46-I198 HydrophobicContact CB-CG2 4.06Å; K46-I198 HydrophobicContact CG-CD1 4Å; E69-I198 HydrophobicContact CB-CD1 4.26Å; L85-I198 HydrophobicContact CD1-CD1 4.13Å; L85-I198 HydrophobicContact CD1-CG1 3.43Å; L85-I198 VanDerWaalsContact CD1-CG1 3.43Å; I198-Y202 WeakPolarHBondContact O-CB 3.42Å; I198-Y202 PolarHBondContact O-N 2.91Å; I198-Y202 VanDerWaalsContact O-N 3.15Å |
| 199 | K | 91.7 | Very high | 88.1 | Confident | 93 Ų | 93 | 64 Ų | 64 | 40% | 0.404 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -71.2 | -45.3 | 179.2 | -68.3 | -177.6 | -178.8 | 178.1 | 0 | 110.7 | I47 N197 R201 Y202 Y203 | I47-K199 HydrophobicContact CD1-CG 4.29Å; N197-K199 VanDerWaalsContact C-N 3.3Å; N197-K199 PolarHBondContact O-N 3.46Å; N197-K199 PolarHBondContact OD1-N 3.38Å; N197-K199 VanDerWaalsContact OD1-N 3.16Å; K199-R201 VanDerWaalsContact C-N 3.33Å; K199-R201 PolarHBondContact O-N 3.26Å; K199-Y202 WeakPolarHBondContact O-CB 3.46Å; K199-Y202 PolarHBondContact O-N 3.14Å; K199-Y203 HydrophobicContact CB-CD2 4.18Å; K199-Y203 HydrophobicContact CB-CE2 4.11Å; K199-Y203 WeakPolarHBondContact O-CD2 3.4Å; K199-Y203 PolarHBondContact O-N 2.6Å |
| 200 | D | 91.9 | Very high | 88.4 | Confident | 59 Ų | 59 | 58.8 Ų | 58.8 | 32% | 0.316 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.4 | -42.8 | -179 | -63.5 | -23.1 | 0 | 0 | 0 | 111.1 | N197 Y202 G204 I205 | N197-D200 HydrophobicContact CB-CB 4.1Å; N197-D200 WeakPolarHBondContact CB-OD2 3.33Å; N197-D200 PolarHBondContact ND2-OD2 3.35Å; N197-D200 PolarHBondContact O-N 3.02Å; D200-Y202 VanDerWaalsContact C-N 3.3Å; D200-Y202 PolarHBondContact O-N 3.33Å; D200-G204 PolarHBondContact O-N 2.84Å; D200-I205 WeakPolarHBondContact CB-O 3.32Å; D200-I205 PolarHBondContact O-N 2.9Å; D200-I205 VanDerWaalsContact O-N 3.16Å |
| 201 | R | 92.5 | Very high | 88.6 | Confident | 42 Ų | 42 | 55.1 Ų | 55.1 | 16% | 0.158 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.2 | -31.1 | 172 | -67.9 | -177.9 | 62.4 | -133.3 | -15 | 114.1 | C84 N197 K199 | C84-R201 PolarHBondContact O-NH2 3.23Å; N197-R201 WeakPolarHBondContact O-CG 3.43Å; N197-R201 PolarHBondContact O-N 3.34Å; K199-R201 VanDerWaalsContact C-N 3.33Å; K199-R201 PolarHBondContact O-N 3.26Å |
| 202 | Y | 92.9 | Very high | 88.8 | Confident | 1 Ų | 1 | 58 Ų | 58 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -79.2 | -45.7 | 179.4 | -179.1 | -97 | 0 | 0 | 0 | 112.6 | I47 C74 K78 V80 L85 I94 I107 I198 K199 D200 G204 | I47-Y202 HydrophobicContact CB-CD1 4.39Å; I47-Y202 HydrophobicContact CB-CE1 4.44Å; I47-Y202 VanDerWaalsContact CD1-CB 3.47Å; I47-Y202 HydrophobicContact CD1-CD1 3.78Å; I47-Y202 HydrophobicContact CD1-CD2 4.22Å; I47-Y202 HydrophobicContact CD1-CG 3.54Å; I47-Y202 HydrophobicContact CG1-CD1 3.83Å; I47-Y202 HydrophobicContact CG1-CD2 3.95Å; I47-Y202 HydrophobicContact CG1-CE1 4.21Å; I47-Y202 HydrophobicContact CG1-CE2 4.31Å; I47-Y202 HydrophobicContact CG1-CG 3.69Å; I47-Y202 HydrophobicContact CG2-CD1 3.67Å; I47-Y202 HydrophobicContact CG2-CE1 3.56Å; I47-Y202 HydrophobicContact CG2-CG 4.42Å; C74-Y202 WeakPolarHBondContact CA-OH 3.48Å; C74-Y202 HydrophobicContact CB-CE2 4.25Å; C74-Y202 WeakPolarHBondContact O-CE2 3.36Å; C74-Y202 PolarHBondContact O-OH 3.46Å; K78-Y202 HydrophobicContact CB-CE2 4.28Å; K78-Y202 HydrophobicContact CG-CE1 4.43Å; K78-Y202 HydrophobicContact CG-CE2 4.19Å; V80-Y202 HydrophobicContact CG2-CE2 4.37Å; L85-Y202 HydrophobicContact CD2-CD2 4.33Å; I94-Y202 HydrophobicContact CD1-CD2 4.25Å; I94-Y202 WeakPolarHBondContact CD1-O 3.22Å; I107-Y202 HydrophobicContact CD1-CE1 4.14Å; I198-Y202 WeakPolarHBondContact O-CB 3.42Å; I198-Y202 PolarHBondContact O-N 2.91Å; I198-Y202 VanDerWaalsContact O-N 3.15Å; K199-Y202 WeakPolarHBondContact O-CB 3.46Å; K199-Y202 PolarHBondContact O-N 3.14Å; D200-Y202 VanDerWaalsContact C-N 3.3Å; D200-Y202 PolarHBondContact O-N 3.33Å; Y202-G204 VanDerWaalsContact C-N 3.26Å; Y202-G204 PolarHBondContact O-N 3.08Å |
| 203 | Y | 91.1 | Very high | 89.2 | Confident | 31 Ų | 31 | 54.2 Ų | 54.2 | 12% | 0.122 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -78.5 | -14 | 179.7 | -64.7 | -66.6 | 0 | 0 | 0 | 112.5 | I107 K114 K199 I205 | I107-Y203 HydrophobicContact CB-CD1 4.21Å; I107-Y203 HydrophobicContact CB-CE1 4.03Å; I107-Y203 HydrophobicContact CG2-CD1 4.48Å; I107-Y203 HydrophobicContact CG2-CE1 3.8Å; K114-Y203 WeakPolarHBondContact CD-OH 3.19Å; K199-Y203 HydrophobicContact CB-CD2 4.18Å; K199-Y203 HydrophobicContact CB-CE2 4.11Å; K199-Y203 WeakPolarHBondContact O-CD2 3.4Å; K199-Y203 PolarHBondContact O-N 2.6Å; Y203-I205 HydrophobicContact CG-CD1 4.47Å |
| 204 | G | 88.6 | Confident | 89.5 | Confident | 15 Ų | 15 | 53.3 Ų | 53.3 | 16% | 0.155 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 34.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q95 D200 Y202 | Q95-G204 WeakPolarHBondContact CB-O 3.17Å; Q95-G204 VanDerWaalsContact CG-O 3.31Å; Q95-G204 WeakPolarHBondContact CG-O 3.26Å; D200-G204 PolarHBondContact O-N 2.84Å; Y202-G204 VanDerWaalsContact C-N 3.26Å; Y202-G204 PolarHBondContact O-N 3.08Å |
| 205 | I | 88.7 | Confident | 90.1 | Very high | 44 Ų | 44 | 58.4 Ų | 58.4 | 23% | 0.226 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -114.8 | 132 | 175.4 | -61.6 | 105.8 | 0 | 0 | 0 | 108.1 | R109 D200 Y203 D207 | R109-I205 VanDerWaalsContact CZ-CD1 3.45Å; R109-I205 VanDerWaalsContact NH2-CG1 3.28Å; D200-I205 WeakPolarHBondContact CB-O 3.32Å; D200-I205 PolarHBondContact O-N 2.9Å; D200-I205 VanDerWaalsContact O-N 3.16Å; Y203-I205 HydrophobicContact CG-CD1 4.47Å; I205-D207 VanDerWaalsContact C-N 3.25Å; I205-D207 PolarHBondContact O-N 2.6Å |
| 206 | N | 86.3 | Confident | 90.7 | Very high | 125 Ų | 125 | 58.3 Ų | 58.3 | 67% | 0.668 | 28% | 0.281 | S | S | * | . | S | Bend | trans | 51.5 | 40.4 | 173.6 | -56.4 | -15.9 | 0 | 0 | 0 | 113.3 | P208 | N206-P208 VanDerWaalsContact O-CD 3.26Å; N206-P208 WeakPolarHBondContact O-CD 3.33Å |
| 207 | D | 89.7 | Confident | 91.1 | Very high | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.011 | 27% | 0.27 | C | S | . | . | trans | -82.8 | 110.4 | 171.6 | -178.7 | -7.8 | 0 | 0 | 0 | 109.1 | Q95 I205 V209 A210 D211 | Q95-D207 VanDerWaalsContact OE1-N 3.08Å; I205-D207 VanDerWaalsContact C-N 3.25Å; I205-D207 PolarHBondContact O-N 2.6Å; D207-V209 PolarHBondContact O-N 3.35Å; D207-V209 VanDerWaalsContact O-N 3.17Å; D207-V209 VanDerWaalsContact OD1-CB 3.24Å; D207-V209 WeakPolarHBondContact OD1-CB 3.44Å; D207-V209 WeakPolarHBondContact OD1-CG2 3.42Å; D207-V209 PolarHBondContact OD1-N 3.12Å; D207-A210 HydrophobicContact CB-CB 3.77Å; D207-A210 WeakPolarHBondContact O-CA 3.47Å; D207-A210 VanDerWaalsContact O-CB 3.31Å; D207-A210 WeakPolarHBondContact O-CB 3.2Å; D207-A210 PolarHBondContact O-N 3.08Å; D207-D211 PolarHBondContact O-N 3.45Å | ||
| 208 | P | 91.3 | Very high | 91 | Very high | 28 Ų | 28 | 55.7 Ų | 55.7 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.2 | -27.2 | -177.6 | 26.5 | -35.7 | 0 | 0 | 0 | 112.3 | P192 L193 Q196 N206 A210 K212 | P192-P208 WeakPolarHBondContact O-CB 3.39Å; P192-P208 VanDerWaalsContact O-CG 3.23Å; P192-P208 WeakPolarHBondContact O-CG 3.49Å; L193-P208 HydrophobicContact CD1-CB 4.47Å; L193-P208 HydrophobicContact CD1-CG 4.46Å; Q196-P208 HydrophobicContact CG-CG 4.48Å; N206-P208 VanDerWaalsContact O-CD 3.26Å; N206-P208 WeakPolarHBondContact O-CD 3.33Å; P208-A210 VanDerWaalsContact C-N 3.35Å; P208-K212 WeakPolarHBondContact O-CB 3.38Å; P208-K212 PolarHBondContact O-N 3.41Å |
| 209 | V | 91.4 | Very high | 91 | Very high | 40 Ų | 40 | 58.3 Ų | 58.3 | 24% | 0.242 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.1 | -43.6 | 173.1 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | P93 L193 D207 L213 | P93-V209 HydrophobicContact CG-CB 4.46Å; P93-V209 HydrophobicContact CG-CG1 4.03Å; L193-V209 HydrophobicContact CD1-CB 4.19Å; L193-V209 HydrophobicContact CD1-CG2 3.43Å; L193-V209 VanDerWaalsContact CD1-CG2 3.43Å; D207-V209 PolarHBondContact O-N 3.35Å; D207-V209 VanDerWaalsContact O-N 3.17Å; D207-V209 VanDerWaalsContact OD1-CB 3.24Å; D207-V209 WeakPolarHBondContact OD1-CB 3.44Å; D207-V209 WeakPolarHBondContact OD1-CG2 3.42Å; D207-V209 PolarHBondContact OD1-N 3.12Å; V209-L213 HydrophobicContact CG1-CD1 4.3Å; V209-L213 VanDerWaalsContact O-CD1 3.31Å; V209-L213 WeakPolarHBondContact O-CD1 3.26Å; V209-L213 PolarHBondContact O-N 2.96Å; V209-L213 VanDerWaalsContact O-N 3.15Å |
| 210 | A | 92.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66 | -45.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | P93 Q95 V96 D207 P208 K212 L213 L214 | P93-A210 HydrophobicContact CB-CB 4.07Å; P93-A210 HydrophobicContact CG-CB 4.47Å; Q95-A210 HydrophobicContact CB-CB 3.7Å; Q95-A210 HydrophobicContact CG-CB 4.05Å; V96-A210 HydrophobicContact CG2-CB 3.62Å; D207-A210 HydrophobicContact CB-CB 3.77Å; D207-A210 WeakPolarHBondContact O-CA 3.47Å; D207-A210 VanDerWaalsContact O-CB 3.31Å; D207-A210 WeakPolarHBondContact O-CB 3.2Å; D207-A210 PolarHBondContact O-N 3.08Å; P208-A210 VanDerWaalsContact C-N 3.35Å; A210-K212 VanDerWaalsContact C-N 3.3Å; A210-K212 PolarHBondContact O-N 3.4Å; A210-L213 CarbonylContact O-C 3.6Å; A210-L213 WeakPolarHBondContact O-CA 3.46Å; A210-L213 WeakPolarHBondContact O-CB 3.45Å; A210-L213 PolarHBondContact O-N 3.1Å; A210-L214 WeakPolarHBondContact O-CG 3.45Å; A210-L214 PolarHBondContact O-N 2.88Å |
| 211 | D | 92.4 | Very high | 90.4 | Very high | 74 Ų | 74 | 57.8 Ų | 57.8 | 40% | 0.396 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.5 | -40.5 | 179.1 | -65.5 | -23.5 | 0 | 0 | 0 | 111.7 | Q95 D207 L213 L214 K215 | Q95-D211 PolarHBondContact NE2-OD1 3.37Å; D207-D211 PolarHBondContact O-N 3.45Å; D211-L213 VanDerWaalsContact C-N 3.32Å; D211-L213 PolarHBondContact O-N 3.24Å; D211-L214 PolarHBondContact O-N 3.06Å; D211-K215 VanDerWaalsContact O-CB 3.32Å; D211-K215 WeakPolarHBondContact O-CB 3.12Å; D211-K215 PolarHBondContact O-N 3.47Å |
| 212 | K | 92.6 | Very high | 89.9 | Confident | 123 Ų | 123 | 64.3 Ų | 64.3 | 54% | 0.535 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.7 | -36.4 | 174.1 | -171.9 | 171.3 | -173.6 | 166 | 0 | 112.6 | P208 A210 R216 | P208-K212 WeakPolarHBondContact O-CB 3.38Å; P208-K212 PolarHBondContact O-N 3.41Å; A210-K212 VanDerWaalsContact C-N 3.3Å; A210-K212 PolarHBondContact O-N 3.4Å; K212-R216 WeakPolarHBondContact O-CB 3.48Å; K212-R216 PolarHBondContact O-N 2.94Å |
| 213 | L | 92 | Very high | 89.3 | Confident | 23 Ų | 23 | 65.9 Ų | 65.9 | 12% | 0.12 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -72.5 | -40.3 | 176.7 | -98.5 | 66.5 | 0 | 0 | 0 | 111.9 | L92 P93 V96 V209 A210 D211 R216 A217 | L92-L213 HydrophobicContact CD2-CD2 3.73Å; P93-L213 HydrophobicContact CG-CD2 4.38Å; V96-L213 HydrophobicContact CG2-CB 3.83Å; V96-L213 HydrophobicContact CG2-CD2 4.18Å; V209-L213 HydrophobicContact CG1-CD1 4.3Å; V209-L213 VanDerWaalsContact O-CD1 3.31Å; V209-L213 WeakPolarHBondContact O-CD1 3.26Å; V209-L213 PolarHBondContact O-N 2.96Å; V209-L213 VanDerWaalsContact O-N 3.15Å; A210-L213 CarbonylContact O-C 3.6Å; A210-L213 WeakPolarHBondContact O-CA 3.46Å; A210-L213 WeakPolarHBondContact O-CB 3.45Å; A210-L213 PolarHBondContact O-N 3.1Å; D211-L213 VanDerWaalsContact C-N 3.32Å; D211-L213 PolarHBondContact O-N 3.24Å; L213-R216 WeakPolarHBondContact O-CB 3.41Å; L213-R216 PolarHBondContact O-N 2.56Å; L213-A217 PolarHBondContact O-N 3.19Å |
| 214 | L | 92.4 | Very high | 88.9 | Confident | 35 Ų | 35 | 69 Ų | 69 | 18% | 0.183 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65 | -42.5 | 174.9 | -70.5 | 174.2 | 0 | 0 | 0 | 111 | V96 T99 M146 A210 D211 R216 A217 S218 | V96-L214 HydrophobicContact CG1-CD2 4.31Å; V96-L214 HydrophobicContact CG2-CG 4.36Å; T99-L214 HydrophobicContact CG2-CD2 3.98Å; M146-L214 HydrophobicContact CE-CD2 3.53Å; A210-L214 WeakPolarHBondContact O-CG 3.45Å; A210-L214 PolarHBondContact O-N 2.88Å; D211-L214 PolarHBondContact O-N 3.06Å; L214-R216 VanDerWaalsContact C-N 3.29Å; L214-R216 PolarHBondContact O-N 3.01Å; L214-A217 CarbonylContact O-C 3.46Å; L214-A217 WeakPolarHBondContact O-CB 3.48Å; L214-A217 PolarHBondContact O-N 3.39Å; L214-A217 VanDerWaalsContact O-N 3.11Å; L214-S218 PolarHBondContact O-N 2.94Å |
| 215 | K | 92.9 | Very high | 88.6 | Confident | 154 Ų | 154 | 71.8 Ų | 71.8 | 67% | 0.67 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.3 | -37.7 | 173 | -167.5 | 173.3 | -167.7 | 174.2 | 0 | 112.1 | D211 S218 T219 | D211-K215 VanDerWaalsContact O-CB 3.32Å; D211-K215 WeakPolarHBondContact O-CB 3.12Å; D211-K215 PolarHBondContact O-N 3.47Å; K215-S218 WeakPolarHBondContact CA-OG 3.29Å; K215-S218 PolarHBondContact O-N 3.09Å; K215-S218 PolarHBondContact O-OG 3.49Å; K215-T219 WeakPolarHBondContact O-CG2 3.48Å; K215-T219 PolarHBondContact O-N 3.21Å; K215-T219 PolarHBondContact O-OG1 3.49Å |
| 216 | R | 91.8 | Very high | 88.3 | Confident | 134 Ų | 134 | 70.7 Ų | 70.7 | 51% | 0.506 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 172.9 | -174.7 | -177.4 | -62.9 | 171.2 | -2 | 111.5 | K212 L213 L214 T219 M220 | K212-R216 WeakPolarHBondContact O-CB 3.48Å; K212-R216 PolarHBondContact O-N 2.94Å; L213-R216 WeakPolarHBondContact O-CB 3.41Å; L213-R216 PolarHBondContact O-N 2.56Å; L214-R216 VanDerWaalsContact C-N 3.29Å; L214-R216 PolarHBondContact O-N 3.01Å; R216-T219 WeakPolarHBondContact CA-OG1 3.46Å; R216-T219 PolarHBondContact O-N 3.29Å; R216-T219 PolarHBondContact O-OG1 3.37Å; R216-M220 WeakPolarHBondContact O-CG 3.41Å; R216-M220 PolarHBondContact O-N 3.27Å |
| 217 | A | 89.9 | Confident | 88 | Confident | 16 Ų | 16 | 73.9 Ų | 73.9 | 13% | 0.132 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.1 | -38 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | M146 L150 L213 L214 T219 M220 | M146-A217 HydrophobicContact CE-CB 3.48Å; M146-A217 VanDerWaalsContact CE-CB 3.48Å; M146-A217 HydrophobicContact CG-CB 4.13Å; M146-A217 HydrophobicContact SD-CB 4.13Å; L150-A217 HydrophobicContact CD1-CB 3.92Å; L150-A217 HydrophobicContact CD2-CB 4.26Å; L150-A217 HydrophobicContact CG-CB 4.32Å; L213-A217 PolarHBondContact O-N 3.19Å; L214-A217 CarbonylContact O-C 3.46Å; L214-A217 WeakPolarHBondContact O-CB 3.48Å; L214-A217 PolarHBondContact O-N 3.39Å; L214-A217 VanDerWaalsContact O-N 3.11Å; A217-T219 PolarHBondContact O-N 3.44Å; A217-M220 WeakPolarHBondContact O-CB 2.91Å; A217-M220 PolarHBondContact O-N 3.08Å; A217-M220 VanDerWaalsContact O-N 3.07Å |
| 218 | S | 89.1 | Confident | 87.7 | Confident | 81 Ų | 81 | 78.3 Ų | 78.3 | 57% | 0.566 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -65.7 | -29.8 | 176.3 | 66.6 | 0 | 0 | 0 | 0 | 112.6 | L214 K215 M220 | L214-S218 PolarHBondContact O-N 2.94Å; K215-S218 WeakPolarHBondContact CA-OG 3.29Å; K215-S218 PolarHBondContact O-N 3.09Å; K215-S218 PolarHBondContact O-OG 3.49Å; S218-M220 VanDerWaalsContact C-N 3.34Å |
| 219 | T | 89.8 | Confident | 87.1 | Confident | 105 Ų | 105 | 85.1 Ų | 85.1 | 64% | 0.644 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -5.7 | 173.8 | 57.4 | 0 | 0 | 0 | 0 | 114 | K215 R216 A217 | K215-T219 WeakPolarHBondContact O-CG2 3.48Å; K215-T219 PolarHBondContact O-N 3.21Å; K215-T219 PolarHBondContact O-OG1 3.49Å; R216-T219 WeakPolarHBondContact CA-OG1 3.46Å; R216-T219 PolarHBondContact O-N 3.29Å; R216-T219 PolarHBondContact O-OG1 3.37Å; A217-T219 PolarHBondContact O-N 3.44Å |
| 220 | M | 85.4 | Confident | 86.8 | Confident | 52 Ų | 52 | 88.1 Ų | 88.1 | 26% | 0.256 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -64.7 | 142 | 175.9 | -74.7 | -176.5 | -179.4 | 0 | 0 | 109.4 | K149 L150 R216 A217 S218 R222 | K149-M220 HydrophobicContact CB-CE 4.3Å; K149-M220 HydrophobicContact CB-SD 4.06Å; K149-M220 HydrophobicContact CD-SD 4.46Å; L150-M220 HydrophobicContact CD2-CE 3.47Å; L150-M220 VanDerWaalsContact CD2-CE 3.47Å; L150-M220 HydrophobicContact CG-CE 4.02Å; R216-M220 WeakPolarHBondContact O-CG 3.41Å; R216-M220 PolarHBondContact O-N 3.27Å; A217-M220 WeakPolarHBondContact O-CB 2.91Å; A217-M220 PolarHBondContact O-N 3.08Å; A217-M220 VanDerWaalsContact O-N 3.07Å; S218-M220 VanDerWaalsContact C-N 3.34Å; M220-R222 PolarHBondContact O-N 3.28Å |
| 221 | P | 84.8 | Confident | 86.5 | Confident | 89 Ų | 89 | 89.1 Ų | 89.1 | 58% | 0.578 | 45% | 0.454 | S | S | * | . | trans | -57.9 | 128.6 | 176.1 | 25.3 | -33.2 | 0 | 0 | 0 | 108.4 | F288 | P221-F288 HydrophobicContact CB-CE1 4.06Å; P221-F288 HydrophobicContact CB-CZ 4.23Å; P221-F288 VanDerWaalsContact O-CE1 3.32Å; P221-F288 WeakPolarHBondContact O-CE1 3.22Å | ||
| 222 | R | 82.4 | Confident | 86.4 | Confident | 178 Ų | 178 | 86.1 Ų | 86.1 | 67% | 0.672 | 44% | 0.44 | S | S | * | . | trans | -124.8 | 152.6 | 169.7 | 63.9 | -179.8 | -178.4 | -159.3 | -9 | 108.5 | M220 D224 | M220-R222 PolarHBondContact O-N 3.28Å; R222-D224 IonicContact CZ-OD1 3.05Å; R222-D224 IonicContact NE-OD1 2.6Å; R222-D224 PolarHBondContact NE-OD1 2.98Å; R222-D224 IonicContact NH2-OD1 3.9Å; R222-D224 PolarHBondContact O-N 3.36Å | ||
| 223 | L | 81.1 | Confident | 86.3 | Confident | 35 Ų | 35 | 82 Ų | 82 | 18% | 0.183 | 42% | 0.424 | C | S | . | . | trans | -84.9 | 105.3 | 168 | -92.8 | 167.2 | 0 | 0 | 0 | 107.7 | A284 F288 V300 W302 | L223-A284 HydrophobicContact CD1-CB 4.14Å; L223-F288 HydrophobicContact CB-CD2 4.46Å; L223-F288 HydrophobicContact CB-CG 4.42Å; L223-F288 HydrophobicContact CD1-CB 3.85Å; L223-F288 HydrophobicContact CD1-CD2 3.19Å; L223-F288 HydrophobicContact CD1-CE2 3.82Å; L223-F288 HydrophobicContact CD1-CG 3.65Å; L223-F288 HydrophobicContact CD2-CE2 4.36Å; L223-F288 HydrophobicContact CG-CB 4.49Å; L223-F288 HydrophobicContact CG-CD1 4.4Å; L223-F288 HydrophobicContact CG-CD2 3.47Å; L223-F288 VanDerWaalsContact CG-CD2 3.47Å; L223-F288 HydrophobicContact CG-CE2 3.62Å; L223-F288 HydrophobicContact CG-CG 3.88Å; L223-F288 HydrophobicContact CG-CZ 4.15Å; L223-V300 HydrophobicContact CD1-CG1 4.28Å; L223-W302 VanDerWaalsContact CD2-CD1 3.49Å; L223-W302 HydrophobicContact CD2-CG 4.34Å | ||
| 224 | D | 82.1 | Confident | 86.3 | Confident | 97 Ų | 97 | 80.9 Ų | 80.9 | 52% | 0.519 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 135.6 | 168 | -61 | -53.5 | 0 | 0 | 0 | 108.6 | R222 W302 | R222-D224 IonicContact CZ-OD1 3.05Å; R222-D224 IonicContact NE-OD1 2.6Å; R222-D224 PolarHBondContact NE-OD1 2.98Å; R222-D224 IonicContact NH2-OD1 3.9Å; R222-D224 PolarHBondContact O-N 3.36Å; D224-W302 PolarHBondContact O-NE1 3.42Å |
| 225 | P | 81.4 | Confident | 86.4 | Confident | 72 Ų | 72 | 82.2 Ų | 82.2 | 47% | 0.468 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 147.7 | 179.7 | 27.3 | -34 | 0 | 0 | 0 | 110.6 | W302 | P225-W302 HydrophobicContact CB-CZ2 4.49Š|
| 226 | P | 82.9 | Confident | 86.3 | Confident | 22 Ų | 22 | 74.9 Ų | 74.9 | 14% | 0.143 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -64 | 142.9 | 179 | 26.2 | -33 | 0 | 0 | 0 | 110.3 | D228 I231 R277 W302 | P226-D228 PolarHBondContact O-N 2.8Å; P226-I231 HydrophobicContact CB-CB 4.36Å; P226-I231 HydrophobicContact CB-CD1 4.25Å; P226-I231 HydrophobicContact CG-CB 4.04Å; P226-I231 HydrophobicContact CG-CG2 4.2Å; P226-R277 PolarHBondContact O-NH2 3.3Å; P226-W302 VanDerWaalsContact CD-CE2 3.41Å; P226-W302 HydrophobicContact CG-CD2 3.98Å; P226-W302 HydrophobicContact CG-CE3 3.86Å; P226-W302 HydrophobicContact CG-CG 4.33Å; P226-W302 HydrophobicContact CG-CZ3 4.22Å |
| 227 | E | 81 | Confident | 86.3 | Confident | 191 Ų | 191 | 68.5 Ų | 68.5 | 89% | 0.893 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -59.7 | -40.4 | 174.2 | -63.6 | -175 | 172.7 | 0 | 0 | 110.4 | K229 | E227-K229 PolarHBondContact O-N 2.82Š|
| 228 | D | 81.9 | Confident | 86.3 | Confident | 95 Ų | 95 | 69.6 Ų | 69.6 | 51% | 0.508 | 38% | 0.379 | S | S | . | . | trans | -70.6 | 112.8 | 176.7 | -72.2 | -28.3 | 0 | 0 | 0 | 112.2 | P226 S230 I231 | P226-D228 PolarHBondContact O-N 2.8Å; D228-S230 PolarHBondContact O-N 2.88Å; D228-I231 HydrophobicContact CB-CD1 3.67Å; D228-I231 HydrophobicContact CB-CG1 3.81Å; D228-I231 PolarHBondContact O-N 3.11Å | ||
| 229 | K | 79.2 | Confident | 86.1 | Confident | 171 Ų | 171 | 65.9 Ų | 65.9 | 74% | 0.743 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -11.7 | -176.8 | -40.5 | -159.5 | 172.3 | 170.2 | 0 | 115.8 | E227 | E227-K229 PolarHBondContact O-N 2.82Š|
| 230 | S | 84.3 | Confident | 85.8 | Confident | 104 Ų | 104 | 61.6 Ų | 61.6 | 73% | 0.727 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -15.6 | 176.7 | 56.6 | 0 | 0 | 0 | 0 | 113 | D228 S232 | D228-S230 PolarHBondContact O-N 2.88Å; S230-S232 PolarHBondContact O-N 2.89Å; S230-S232 VanDerWaalsContact O-N 3.16Å |
| 231 | I | 86.6 | Confident | 85.8 | Confident | 20 Ų | 20 | 65.2 Ų | 65.2 | 10% | 0.103 | 35% | 0.349 | C | S | . | . | trans | -78.6 | 104.4 | -177.7 | -58.8 | -178.7 | 0 | 0 | 0 | 109.3 | P226 D228 G303 | P226-I231 HydrophobicContact CB-CB 4.36Å; P226-I231 HydrophobicContact CB-CD1 4.25Å; P226-I231 HydrophobicContact CG-CB 4.04Å; P226-I231 HydrophobicContact CG-CG2 4.2Å; D228-I231 HydrophobicContact CB-CD1 3.67Å; D228-I231 HydrophobicContact CB-CG1 3.81Å; D228-I231 PolarHBondContact O-N 3.11Å; I231-G303 VanDerWaalsContact CG2-O 3.25Å; I231-G303 WeakPolarHBondContact CG2-O 3.28Å | ||
| 232 | S | 90.5 | Very high | 85.8 | Confident | 12 Ų | 12 | 64.3 Ų | 64.3 | 8% | 0.084 | 34% | 0.343 | C | S | . | . | trans | -111.1 | 17.2 | 168.7 | 66.5 | 0 | 0 | 0 | 0 | 112.4 | S230 F274 | S230-S232 PolarHBondContact O-N 2.89Å; S230-S232 VanDerWaalsContact O-N 3.16Å; S232-F274 WeakPolarHBondContact CB-O 3.42Å; S232-F274 PolarHBondContact O-N 3.38Å; S232-F274 PolarHBondContact OG-O 3.31Å | ||
| 233 | T | 91.5 | Very high | 86 | Confident | 35 Ų | 35 | 56.5 Ų | 56.5 | 22% | 0.215 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 127.2 | -178.1 | -50.6 | 0 | 0 | 0 | 0 | 110.9 | F271 I272 G303 | T233-F271 HydrophobicContact CG2-CB 4.12Å; T233-F271 HydrophobicContact CG2-CD1 4.22Å; T233-I272 CarbonylContact C-O 3.5Å; T233-I272 VanDerWaalsContact CA-O 3.27Å; T233-I272 WeakPolarHBondContact CA-O 3.25Å; T233-G303 WeakPolarHBondContact O-CA 3.4Å; T233-G303 PolarHBondContact O-N 3.47Å |
| 234 | L | 92.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 133.7 | 170.7 | -60.3 | -173.3 | 0 | 0 | 0 | 110.3 | F252 F271 I272 F274 A283 A284 V300 W302 | L234-F252 HydrophobicContact CD1-CE1 4.39Å; L234-F271 WeakPolarHBondContact O-CA 3.32Å; L234-I272 PolarHBondContact N-O 2.89Å; L234-I272 PolarHBondContact O-N 2.95Å; L234-F274 HydrophobicContact CD1-CD2 4.45Å; L234-F274 HydrophobicContact CD1-CE2 3.73Å; L234-F274 HydrophobicContact CG-CD2 4.44Å; L234-F274 HydrophobicContact CG-CE2 4.11Å; L234-A283 HydrophobicContact CD1-CB 3.85Å; L234-A284 HydrophobicContact CD1-CB 4.43Å; L234-A284 HydrophobicContact CD2-CB 4Å; L234-V300 HydrophobicContact CD1-CG1 4.36Å; L234-W302 HydrophobicContact CD2-CD2 4.01Å; L234-W302 HydrophobicContact CD2-CE3 3.46Å; L234-W302 VanDerWaalsContact CD2-CE3 3.46Å; L234-W302 HydrophobicContact CD2-CH2 4.1Å; L234-W302 HydrophobicContact CD2-CZ3 3.52Å |
| 235 | Y | 92.6 | Very high | 86.7 | Confident | 63 Ų | 63 | 57.2 Ų | 57.2 | 25% | 0.247 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 129.6 | 167.6 | 169.4 | -90.2 | 0 | 0 | 0 | 109.3 | C269 F271 V300 K301 | Y235-C269 HydrophobicContact CD2-CB 4.29Å; Y235-C269 HydrophobicContact CE2-CB 3.43Å; Y235-C269 VanDerWaalsContact CE2-CB 3.43Å; Y235-F271 HydrophobicContact CD2-CD1 4.38Å; Y235-F271 AromaticContact CD2-CE1 3.7Å; Y235-F271 HydrophobicContact CD2-CE1 3.7Å; Y235-F271 AromaticContact CD2-CZ 3.84Å; Y235-F271 HydrophobicContact CD2-CZ 3.84Å; Y235-F271 HydrophobicContact CE2-CZ 4.34Å; Y235-V300 CarbonylContact O-C 3.58Å; Y235-V300 WeakPolarHBondContact O-CA 3.37Å; Y235-K301 HydrophobicContact CD1-CB 3.93Å; Y235-K301 HydrophobicContact CD1-CD 4.26Å; Y235-K301 HydrophobicContact CD1-CG 4.23Å; Y235-K301 HydrophobicContact CE1-CD 4.46Å; Y235-K301 PolarHBondContact N-O 2.96Å; Y235-K301 PolarHBondContact O-N 3.08Å |
| 236 | I | 92.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 116.7 | 174.7 | -52 | 175.3 | 0 | 0 | 0 | 107.5 | L239 L248 F252 C269 A270 I272 L298 T299 | I236-L239 HydrophobicContact CB-CD1 3.88Å; I236-L239 HydrophobicContact CG2-CD1 3.5Å; I236-L239 VanDerWaalsContact CG2-CD1 3.5Å; I236-L239 VanDerWaalsContact O-CD1 3.31Å; I236-L239 WeakPolarHBondContact O-CD1 3.44Å; I236-L248 HydrophobicContact CD1-CD2 4.1Å; I236-F252 HydrophobicContact CD1-CD2 4.27Å; I236-F252 HydrophobicContact CD1-CE2 3.37Å; I236-F252 HydrophobicContact CD1-CZ 3.57Å; I236-F252 HydrophobicContact CG1-CZ 4.41Å; I236-C269 CarbonylContact O-C 3.48Å; I236-C269 WeakPolarHBondContact O-CA 3.31Å; I236-C269 WeakPolarHBondContact O-CB 3.47Å; I236-A270 HydrophobicContact CB-CB 4.43Å; I236-A270 PolarHBondContact N-O 3.28Å; I236-A270 PolarHBondContact O-N 3.49Å; I236-I272 HydrophobicContact CD1-CD1 3.34Å; I236-I272 HydrophobicContact CD1-CG1 3.82Å; I236-L298 HydrophobicContact CG2-CB 3.91Å; I236-L298 HydrophobicContact CG2-CD1 3.99Å; I236-L298 HydrophobicContact CG2-CG 4.43Å; I236-T299 CarbonylContact C-O 3.56Å; I236-T299 VanDerWaalsContact CA-O 3.27Å; I236-T299 WeakPolarHBondContact CA-O 3.39Å |
| 237 | G | 91.3 | Very high | 87.4 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 151.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T299 | G237-T299 WeakPolarHBondContact CA-OG1 3.4Å; G237-T299 PolarHBondContact N-O 2.83Å; G237-T299 PolarHBondContact O-N 2.69Å; G237-T299 PolarHBondContact O-OG1 3.42Å |
| 238 | G | 89.1 | Confident | 87.9 | Confident | 39 Ų | 39 | 48.5 Ų | 48.5 | 40% | 0.402 | 29% | 0.287 | S | S | . | . | trans | 84.6 | 24.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | G240 Q268 L298 | G238-G240 PolarHBondContact O-N 3.26Å; G238-Q268 PolarHBondContact N-O 2.91Å; G238-Q268 VanDerWaalsContact N-O 3.1Å; G238-L298 WeakPolarHBondContact O-CD2 3.15Å | ||
| 239 | L | 86 | Confident | 88.3 | Confident | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | trans | -55.8 | -41.9 | 175.9 | -89.6 | 70.2 | 0 | 0 | 0 | 111.5 | I236 V243 L248 I263 Q268 A270 | I236-L239 HydrophobicContact CB-CD1 3.88Å; I236-L239 HydrophobicContact CG2-CD1 3.5Å; I236-L239 VanDerWaalsContact CG2-CD1 3.5Å; I236-L239 VanDerWaalsContact O-CD1 3.31Å; I236-L239 WeakPolarHBondContact O-CD1 3.44Å; L239-V243 HydrophobicContact CB-CB 4.37Å; L239-V243 HydrophobicContact CG-CB 4.45Å; L239-V243 HydrophobicContact CG-CG1 4.34Å; L239-V243 WeakPolarHBondContact O-CG2 3.48Å; L239-L248 HydrophobicContact CD2-CD1 3.89Å; L239-I263 HydrophobicContact CD2-CG2 4Å; L239-Q268 PolarHBondContact N-O 3.3Å; L239-Q268 VanDerWaalsContact N-O 3.14Å; L239-A270 HydrophobicContact CD1-CB 4.01Å; L239-A270 HydrophobicContact CD2-CB 3.64Å; L239-A270 HydrophobicContact CG-CB 4.48Å | ||
| 240 | G | 83.9 | Confident | 88.9 | Confident | 14 Ų | 14 | 43.9 Ų | 43.9 | 14% | 0.144 | 28% | 0.278 | C | S | . | . | trans | 57.4 | -172 | -163.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G238 T242 | G238-G240 PolarHBondContact O-N 3.26Å; G240-T242 PolarHBondContact O-N 3.33Å | ||
| 241 | D | 84 | Confident | 89.1 | Confident | 128 Ų | 128 | 41.9 Ų | 41.9 | 68% | 0.684 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -4.8 | -168.4 | -48.5 | -27.3 | 0 | 0 | 0 | 113.8 | Q268 | D241-Q268 PolarHBondContact OD1-NE2 3.22Š|
| 242 | T | 84.8 | Confident | 89.4 | Confident | 71 Ų | 71 | 41 Ų | 41 | 44% | 0.436 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -12.8 | -175 | 54.4 | 0 | 0 | 0 | 0 | 113.8 | G240 N294 R296 | G240-T242 PolarHBondContact O-N 3.33Å; T242-N294 PolarHBondContact O-ND2 3.11Å; T242-R296 PolarHBondContact OG1-NH1 3.43Å; T242-R296 VanDerWaalsContact OG1-NH1 3.15Å |
| 243 | V | 86.5 | Confident | 89.5 | Confident | 13 Ų | 13 | 48.3 Ų | 48.3 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | trans | -92 | 125.3 | -176.7 | 175.9 | 0 | 0 | 0 | 0 | 109.1 | L239 D247 L248 I293 | L239-V243 HydrophobicContact CB-CB 4.37Å; L239-V243 HydrophobicContact CG-CB 4.45Å; L239-V243 HydrophobicContact CG-CG1 4.34Å; L239-V243 WeakPolarHBondContact O-CG2 3.48Å; V243-D247 HydrophobicContact CG1-CB 4.47Å; V243-L248 HydrophobicContact CG1-CD1 4.45Å; V243-L248 HydrophobicContact CG1-CD2 4.16Å; V243-L248 HydrophobicContact CG1-CG 4.01Å; V243-I293 HydrophobicContact CG1-CG2 4.35Å; V243-I293 HydrophobicContact CG2-CG2 4.33Å | ||
| 244 | T | 89.3 | Confident | 89.5 | Confident | 76 Ų | 76 | 52.6 Ų | 52.6 | 47% | 0.466 | 30% | 0.297 | S | S | . | . | trans | -97.9 | 162.9 | -179.2 | 67.6 | 0 | 0 | 0 | 0 | 112 | G246 D247 L248 | T244-G246 PolarHBondContact O-N 3.5Å; T244-D247 PolarHBondContact N-OD2 3.02Å; T244-D247 PolarHBondContact O-N 3.24Å; T244-D247 PolarHBondContact OG1-N 3.01Å; T244-D247 PolarHBondContact OG1-OD2 2.84Å; T244-L248 PolarHBondContact O-N 3.14Å | ||
| 245 | D | 89.1 | Confident | 89.4 | Confident | 71 Ų | 71 | 53.5 Ų | 53.5 | 38% | 0.38 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.3 | -38.3 | 172.6 | -179.5 | -102.6 | 0 | 0 | 0 | 112.2 | D247 L248 K249 I261 I263 | D245-D247 VanDerWaalsContact C-N 3.31Å; D245-D247 PolarHBondContact O-N 3.07Å; D245-L248 PolarHBondContact O-N 2.91Å; D245-K249 WeakPolarHBondContact O-CB 3.44Å; D245-K249 PolarHBondContact O-N 3.42Å; D245-I261 WeakPolarHBondContact OD2-CB 3.42Å; D245-I261 WeakPolarHBondContact OD2-CG2 3.44Å; D245-I263 HydrophobicContact CB-CD1 3.8Å |
| 246 | G | 89.5 | Confident | 89.4 | Confident | 46 Ų | 46 | 51.6 Ų | 51.6 | 47% | 0.474 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60 | -40.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T244 K249 G250 | T244-G246 PolarHBondContact O-N 3.5Å; G246-K249 PolarHBondContact O-N 3.4Å; G246-G250 PolarHBondContact O-N 3.2Å |
| 247 | D | 90.4 | Very high | 89.4 | Confident | 56 Ų | 56 | 58.6 Ų | 58.6 | 30% | 0.299 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.6 | -42.9 | 179.2 | -57.4 | -40.5 | 0 | 0 | 0 | 111.5 | V243 T244 D245 H251 I293 N294 | V243-D247 HydrophobicContact CG1-CB 4.47Å; T244-D247 PolarHBondContact N-OD2 3.02Å; T244-D247 PolarHBondContact O-N 3.24Å; T244-D247 PolarHBondContact OG1-N 3.01Å; T244-D247 PolarHBondContact OG1-OD2 2.84Å; D245-D247 VanDerWaalsContact C-N 3.31Å; D245-D247 PolarHBondContact O-N 3.07Å; D247-H251 PolarHBondContact O-N 2.98Å; D247-H251 VanDerWaalsContact O-N 3.08Å; D247-I293 HydrophobicContact CB-CG2 3.99Å; D247-N294 PolarHBondContact OD2-ND2 3.22Å |
| 248 | L | 90.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.2 | -47.4 | 176.7 | -67.2 | 174.1 | 0 | 0 | 0 | 110.8 | I236 L239 V243 T244 D245 G250 H251 F252 I263 A270 I272 I293 L298 | I236-L248 HydrophobicContact CD1-CD2 4.1Å; L239-L248 HydrophobicContact CD2-CD1 3.89Å; V243-L248 HydrophobicContact CG1-CD1 4.45Å; V243-L248 HydrophobicContact CG1-CD2 4.16Å; V243-L248 HydrophobicContact CG1-CG 4.01Å; T244-L248 PolarHBondContact O-N 3.14Å; D245-L248 PolarHBondContact O-N 2.91Å; L248-G250 VanDerWaalsContact C-N 3.33Å; L248-G250 PolarHBondContact O-N 2.88Å; L248-H251 PolarHBondContact O-N 3.32Å; L248-F252 HydrophobicContact CD2-CE2 4.16Å; L248-F252 WeakPolarHBondContact O-CB 3.2Å; L248-F252 VanDerWaalsContact O-CD2 3.27Å; L248-F252 WeakPolarHBondContact O-CD2 3.36Å; L248-F252 PolarHBondContact O-N 3.44Å; L248-I263 HydrophobicContact CD1-CD1 4.26Å; L248-I263 HydrophobicContact CD1-CG1 4.49Å; L248-A270 HydrophobicContact CD1-CB 4.02Å; L248-I272 HydrophobicContact CB-CD1 4.41Å; L248-I293 HydrophobicContact CD2-CD1 3.93Å; L248-L298 HydrophobicContact CD2-CD1 4.17Å |
| 249 | K | 91.6 | Very high | 89.7 | Confident | 114 Ų | 114 | 65.7 Ų | 65.7 | 50% | 0.496 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.7 | -45.6 | 177.8 | -169.8 | 175.5 | -178.2 | 178.4 | 0 | 110.9 | D245 G246 H251 F252 Y253 I258 I261 | D245-K249 WeakPolarHBondContact O-CB 3.44Å; D245-K249 PolarHBondContact O-N 3.42Å; G246-K249 PolarHBondContact O-N 3.4Å; K249-H251 VanDerWaalsContact C-N 3.34Å; K249-H251 PolarHBondContact O-N 3.16Å; K249-F252 PolarHBondContact O-N 2.84Å; K249-Y253 WeakPolarHBondContact O-CB 3.37Å; K249-Y253 PolarHBondContact O-N 3.34Å; K249-I258 HydrophobicContact CG-CD1 4.31Å; K249-I261 HydrophobicContact CB-CD1 3.89Å; K249-I261 HydrophobicContact CG-CD1 4.27Å |
| 250 | G | 90.2 | Very high | 89.9 | Confident | 56 Ų | 56 | 68.8 Ų | 68.8 | 58% | 0.577 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -57.9 | -43.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | G246 L248 | G246-G250 PolarHBondContact O-N 3.2Å; L248-G250 VanDerWaalsContact C-N 3.33Å; L248-G250 PolarHBondContact O-N 2.88Å |
| 251 | H | 89.8 | Confident | 90.3 | Very high | 62 Ų | 62 | 69.9 Ų | 69.9 | 29% | 0.287 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -73.8 | -42.3 | 178.6 | -169 | 80.6 | 0 | 0 | 0 | 113.3 | D247 L248 K249 Q254 L291 I293 | D247-H251 PolarHBondContact O-N 2.98Å; D247-H251 VanDerWaalsContact O-N 3.08Å; L248-H251 PolarHBondContact O-N 3.32Å; K249-H251 VanDerWaalsContact C-N 3.34Å; K249-H251 PolarHBondContact O-N 3.16Å; H251-Q254 VanDerWaalsContact O-CG 3.28Å; H251-Q254 WeakPolarHBondContact O-CG 3.35Å; H251-Q254 PolarHBondContact O-NE2 3.23Å; H251-L291 WeakPolarHBondContact CD2-CD1 3.17Å; H251-L291 VanDerWaalsContact NE2-CD1 3.3Å; H251-L291 WeakPolarHBondContact NE2-CD1 3.46Å; H251-I293 HydrophobicContact CB-CD1 4.29Å |
| 252 | F | 91.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -85 | -17.7 | -172.5 | -77.5 | -77.2 | 0 | 0 | 0 | 114.3 | L234 I236 L248 K249 Q254 F255 I258 I272 F274 A283 L291 | L234-F252 HydrophobicContact CD1-CE1 4.39Å; I236-F252 HydrophobicContact CD1-CD2 4.27Å; I236-F252 HydrophobicContact CD1-CE2 3.37Å; I236-F252 HydrophobicContact CD1-CZ 3.57Å; I236-F252 HydrophobicContact CG1-CZ 4.41Å; L248-F252 HydrophobicContact CD2-CE2 4.16Å; L248-F252 WeakPolarHBondContact O-CB 3.2Å; L248-F252 VanDerWaalsContact O-CD2 3.27Å; L248-F252 WeakPolarHBondContact O-CD2 3.36Å; L248-F252 PolarHBondContact O-N 3.44Å; K249-F252 PolarHBondContact O-N 2.84Å; F252-Q254 PolarHBondContact O-N 2.78Å; F252-F255 AromaticContact CD1-CD2 3.85Å; F252-F255 HydrophobicContact CD1-CD2 3.85Å; F252-F255 AromaticContact CD1-CE2 3.93Å; F252-F255 HydrophobicContact CD1-CE2 3.93Å; F252-F255 HydrophobicContact CE1-CE2 4.38Å; F252-F255 PolarHBondContact O-N 3.38Å; F252-I258 HydrophobicContact CB-CD1 3.9Å; F252-I272 HydrophobicContact CB-CD1 4.38Å; F252-I272 HydrophobicContact CD2-CD1 3.39Å; F252-I272 HydrophobicContact CE2-CD1 3.71Å; F252-I272 HydrophobicContact CG-CD1 3.85Å; F252-I272 HydrophobicContact CZ-CD1 4.36Å; F252-F274 HydrophobicContact CB-CZ 4.11Å; F252-F274 AromaticContact CD1-CZ 3.88Å; F252-F274 HydrophobicContact CD1-CZ 3.88Å; F252-F274 HydrophobicContact CG-CZ 4.35Å; F252-A283 HydrophobicContact CD1-CB 4.14Å; F252-A283 HydrophobicContact CE1-CB 4.33Å; F252-L291 HydrophobicContact CE2-CD2 3.87Å; F252-L291 HydrophobicContact CZ-CD2 3.65Å |
| 253 | Y | 92.1 | Very high | 91 | Very high | 166 Ų | 166 | 66.6 Ų | 66.6 | 65% | 0.651 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -59.8 | -28.9 | 177.2 | -176.5 | -99.2 | 0 | 0 | 0 | 113.2 | K249 F255 G256 | K249-Y253 WeakPolarHBondContact O-CB 3.37Å; K249-Y253 PolarHBondContact O-N 3.34Å; Y253-F255 PolarHBondContact O-N 2.73Å; Y253-G256 PolarHBondContact O-N 2.91Å |
| 254 | Q | 92.5 | Very high | 91.2 | Very high | 126 Ų | 126 | 68.1 Ų | 68.1 | 59% | 0.589 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -65.9 | -17.2 | 179.4 | 76.3 | -170.2 | -1.2 | 0 | 0 | 114.3 | H251 F252 | H251-Q254 VanDerWaalsContact O-CG 3.28Å; H251-Q254 WeakPolarHBondContact O-CG 3.35Å; H251-Q254 PolarHBondContact O-NE2 3.23Å; F252-Q254 PolarHBondContact O-N 2.78Å |
| 255 | F | 90.9 | Very high | 91.1 | Very high | 18 Ų | 18 | 71.8 Ų | 71.8 | 8% | 0.079 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -96.1 | -22.3 | -178.3 | -52.6 | -63.4 | 0 | 0 | 0 | 112.7 | F252 Y253 A279 A283 K286 | F252-F255 AromaticContact CD1-CD2 3.85Å; F252-F255 HydrophobicContact CD1-CD2 3.85Å; F252-F255 AromaticContact CD1-CE2 3.93Å; F252-F255 HydrophobicContact CD1-CE2 3.93Å; F252-F255 HydrophobicContact CE1-CE2 4.38Å; F252-F255 PolarHBondContact O-N 3.38Å; Y253-F255 PolarHBondContact O-N 2.73Å; F255-A279 WeakPolarHBondContact O-CB 3.35Å; F255-A283 HydrophobicContact CB-CB 3.86Å; F255-A283 HydrophobicContact CD2-CB 3.64Å; F255-A283 HydrophobicContact CE2-CB 4.3Å; F255-A283 HydrophobicContact CG-CB 3.79Å; F255-K286 HydrophobicContact CD1-CD 4.06Å; F255-K286 HydrophobicContact CE1-CB 3.67Å; F255-K286 HydrophobicContact CE1-CD 3.47Å; F255-K286 VanDerWaalsContact CE1-CD 3.47Å; F255-K286 HydrophobicContact CE1-CG 4.18Å; F255-K286 HydrophobicContact CZ-CB 3.93Å; F255-K286 HydrophobicContact CZ-CD 4.48Å |
| 256 | G | 90.8 | Very high | 91 | Very high | 23 Ų | 23 | 80.2 Ų | 80.2 | 24% | 0.237 | 40% | 0.4 | C | S | . | . | S | Bend | trans | 158.4 | -178.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y253 | Y253-G256 PolarHBondContact O-N 2.91Š|
| 257 | E | 92.9 | Very high | 90.9 | Very high | 148 Ų | 148 | 84.1 Ų | 84.1 | 69% | 0.692 | 41% | 0.406 | S | S | * | . | trans | -70.5 | 129.1 | -179.9 | -171.5 | 179 | -173.1 | 0 | 0 | 111.8 | A275 | E257-A275 HydrophobicContact CB-CB 4.07Å; E257-A275 HydrophobicContact CG-CB 4.39Å; E257-A275 WeakPolarHBondContact O-CB 3.25Å; E257-A275 PolarHBondContact O-N 2.64Å | ||
| 258 | I | 93.9 | Very high | 90.9 | Very high | 30 Ų | 30 | 85.5 Ų | 85.5 | 15% | 0.154 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 125.1 | -178.5 | -54.7 | 169.8 | 0 | 0 | 0 | 108.4 | K249 F252 I261 I272 F274 | K249-I258 HydrophobicContact CG-CD1 4.31Å; F252-I258 HydrophobicContact CB-CD1 3.9Å; I258-I261 HydrophobicContact CD1-CD1 4.34Å; I258-I261 HydrophobicContact CG2-CD1 4.14Å; I258-I261 HydrophobicContact CG2-CG1 3.66Å; I258-I272 HydrophobicContact CG2-CG2 3.76Å; I258-F274 HydrophobicContact CG1-CD1 4.34Å; I258-F274 HydrophobicContact CG1-CE1 3.97Å |
| 259 | R | 92.3 | Very high | 90.9 | Very high | 159 Ų | 159 | 85.5 Ų | 85.5 | 60% | 0.6 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | -54.4 | 176.1 | -72.5 | -174.5 | 175.2 | -177.7 | 7.8 | 111.7 | Q273 A275 | R259-Q273 HydrophobicContact CB-CB 4.4Å; R259-Q273 HydrophobicContact CB-CG 4.35Å; R259-Q273 PolarHBondContact N-O 3.38Å; R259-A275 HydrophobicContact CG-CB 4.11Å; R259-A275 PolarHBondContact NH2-O 2.85Å |
| 260 | T | 91.1 | Very high | 90.9 | Very high | 67 Ų | 67 | 80.1 Ų | 80.1 | 41% | 0.411 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 143.5 | -175.4 | 59.6 | 0 | 0 | 0 | 0 | 110.6 | Q273 | T260-Q273 PolarHBondContact N-O 2.91Å; T260-Q273 PolarHBondContact O-N 2.86Å; T260-Q273 WeakPolarHBondContact OG1-CB 3.38Å; T260-Q273 PolarHBondContact OG1-OE1 2.81Å |
| 261 | I | 92.3 | Very high | 91.1 | Very high | 37 Ų | 37 | 80.2 Ų | 80.2 | 19% | 0.19 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 126.1 | 169.9 | -55.7 | 173.4 | 0 | 0 | 0 | 107.1 | D245 K249 I258 I263 F271 I272 | D245-I261 WeakPolarHBondContact OD2-CB 3.42Å; D245-I261 WeakPolarHBondContact OD2-CG2 3.44Å; K249-I261 HydrophobicContact CB-CD1 3.89Å; K249-I261 HydrophobicContact CG-CD1 4.27Å; I258-I261 HydrophobicContact CD1-CD1 4.34Å; I258-I261 HydrophobicContact CG2-CD1 4.14Å; I258-I261 HydrophobicContact CG2-CG1 3.66Å; I261-I263 HydrophobicContact CG2-CG1 4.18Å; I261-F271 WeakPolarHBondContact CA-O 3.23Å; I261-I272 HydrophobicContact CG1-CG1 4.46Å; I261-I272 HydrophobicContact CG1-CG2 4.43Å; I261-I272 HydrophobicContact CG2-CG1 4.3Å |
| 262 | T | 91.8 | Very high | 91.2 | Very high | 75 Ų | 75 | 77.2 Ų | 77.2 | 46% | 0.46 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 111 | 178.5 | -53.5 | 0 | 0 | 0 | 0 | 109 | A270 F271 | T262-A270 CarbonylContact O-C 3.55Å; T262-A270 VanDerWaalsContact O-CA 3.3Å; T262-A270 WeakPolarHBondContact O-CA 3.35Å; T262-F271 PolarHBondContact N-O 3.44Å; T262-F271 PolarHBondContact O-N 3.25Å |
| 263 | I | 90.9 | Very high | 91.3 | Very high | 56 Ų | 56 | 80.2 Ų | 80.2 | 29% | 0.287 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 126.6 | 179.1 | -56.5 | 177.2 | 0 | 0 | 0 | 109.1 | L239 D245 L248 I261 Q265 A270 | L239-I263 HydrophobicContact CD2-CG2 4Å; D245-I263 HydrophobicContact CB-CD1 3.8Å; L248-I263 HydrophobicContact CD1-CD1 4.26Å; L248-I263 HydrophobicContact CD1-CG1 4.49Å; I261-I263 HydrophobicContact CG2-CG1 4.18Å; I263-Q265 HydrophobicContact CG2-CG 4.21Å; I263-A270 HydrophobicContact CG1-CB 4.14Å |
| 264 | V | 90.9 | Very high | 91.3 | Very high | 45 Ų | 45 | 72.3 Ų | 72.3 | 27% | 0.273 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 89.7 | 176.2 | -175.2 | 0 | 0 | 0 | 0 | 108.1 | R266 Q267 Q268 C269 F271 | V264-R266 VanDerWaalsContact C-N 3.29Å; V264-R266 PolarHBondContact O-N 3.29Å; V264-Q267 HydrophobicContact CG1-CB 4.16Å; V264-Q267 HydrophobicContact CG1-CG 4.29Å; V264-Q267 PolarHBondContact O-N 3.03Å; V264-Q267 VanDerWaalsContact O-N 3.16Å; V264-Q268 PolarHBondContact O-N 3.32Å; V264-Q268 VanDerWaalsContact O-N 3.09Å; V264-C269 PolarHBondContact N-O 2.77Å; V264-C269 PolarHBondContact O-N 3.12Å; V264-F271 HydrophobicContact CG2-CD2 4.44Å; V264-F271 HydrophobicContact CG2-CE2 4.3Å |
| 265 | Q | 87.4 | Confident | 91.3 | Very high | 152 Ų | 152 | 67.6 Ų | 67.6 | 71% | 0.71 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -59.2 | -37.6 | -176.4 | -69 | -179.9 | -16.9 | 0 | 0 | 112.7 | I263 Q267 Q268 | I263-Q265 HydrophobicContact CG2-CG 4.21Å; Q265-Q267 PolarHBondContact O-N 2.99Å; Q265-Q267 VanDerWaalsContact O-N 3.15Å; Q265-Q268 WeakPolarHBondContact O-CG 3.48Å; Q265-Q268 PolarHBondContact O-N 3.42Å |
| 266 | R | 88.1 | Confident | 91.4 | Very high | 248 Ų | 248 | 70.2 Ų | 70.2 | 94% | 0.936 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -57 | -31.8 | 178.3 | -70.8 | -171.7 | -179.1 | -177.3 | 0.7 | 113.8 | V264 | V264-R266 VanDerWaalsContact C-N 3.29Å; V264-R266 PolarHBondContact O-N 3.29Å |
| 267 | Q | 87.3 | Confident | 91.3 | Very high | 129 Ų | 129 | 72.1 Ų | 72.1 | 60% | 0.603 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -106.8 | 5.2 | 179.6 | -67.7 | 179 | 26 | 0 | 0 | 112 | V264 Q265 C269 | V264-Q267 HydrophobicContact CG1-CB 4.16Å; V264-Q267 HydrophobicContact CG1-CG 4.29Å; V264-Q267 PolarHBondContact O-N 3.03Å; V264-Q267 VanDerWaalsContact O-N 3.16Å; Q265-Q267 PolarHBondContact O-N 2.99Å; Q265-Q267 VanDerWaalsContact O-N 3.15Å; Q267-C269 HydrophobicContact CB-CB 4.47Å; Q267-C269 VanDerWaalsContact CB-SG 3.53Å; Q267-C269 PolarHBondContact O-N 2.92Å; Q267-C269 VanDerWaalsContact O-N 3.12Å |
| 268 | Q | 89.4 | Confident | 91.2 | Very high | 85 Ų | 85 | 72 Ų | 72 | 40% | 0.397 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | 41.4 | -175.5 | -61.8 | -175.1 | -35.8 | 0 | 0 | 112.6 | G238 L239 D241 V264 Q265 | G238-Q268 PolarHBondContact N-O 2.91Å; G238-Q268 VanDerWaalsContact N-O 3.1Å; L239-Q268 PolarHBondContact N-O 3.3Å; L239-Q268 VanDerWaalsContact N-O 3.14Å; D241-Q268 PolarHBondContact OD1-NE2 3.22Å; V264-Q268 PolarHBondContact O-N 3.32Å; V264-Q268 VanDerWaalsContact O-N 3.09Å; Q265-Q268 WeakPolarHBondContact O-CG 3.48Å; Q265-Q268 PolarHBondContact O-N 3.42Å |
| 269 | C | 90.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 156 | -176.7 | 70.9 | 0 | 0 | 0 | 0 | 112.1 | Y235 I236 V264 Q267 | Y235-C269 HydrophobicContact CD2-CB 4.29Å; Y235-C269 HydrophobicContact CE2-CB 3.43Å; Y235-C269 VanDerWaalsContact CE2-CB 3.43Å; I236-C269 CarbonylContact O-C 3.48Å; I236-C269 WeakPolarHBondContact O-CA 3.31Å; I236-C269 WeakPolarHBondContact O-CB 3.47Å; V264-C269 PolarHBondContact N-O 2.77Å; V264-C269 PolarHBondContact O-N 3.12Å; Q267-C269 HydrophobicContact CB-CB 4.47Å; Q267-C269 VanDerWaalsContact CB-SG 3.53Å; Q267-C269 PolarHBondContact O-N 2.92Å; Q267-C269 VanDerWaalsContact O-N 3.12Å |
| 270 | A | 92 | Very high | 91 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 148.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I236 L239 L248 T262 I263 | I236-A270 HydrophobicContact CB-CB 4.43Å; I236-A270 PolarHBondContact N-O 3.28Å; I236-A270 PolarHBondContact O-N 3.49Å; L239-A270 HydrophobicContact CD1-CB 4.01Å; L239-A270 HydrophobicContact CD2-CB 3.64Å; L239-A270 HydrophobicContact CG-CB 4.48Å; L248-A270 HydrophobicContact CD1-CB 4.02Å; T262-A270 CarbonylContact O-C 3.55Å; T262-A270 VanDerWaalsContact O-CA 3.3Å; T262-A270 WeakPolarHBondContact O-CA 3.35Å; I263-A270 HydrophobicContact CG1-CB 4.14Å |
| 271 | F | 93.6 | Very high | 91 | Very high | 58 Ų | 58 | 62.2 Ų | 62.2 | 25% | 0.254 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 121.3 | 173.6 | -62.7 | -85.7 | 0 | 0 | 0 | 108.6 | T233 L234 Y235 I261 T262 V264 | T233-F271 HydrophobicContact CG2-CB 4.12Å; T233-F271 HydrophobicContact CG2-CD1 4.22Å; L234-F271 WeakPolarHBondContact O-CA 3.32Å; Y235-F271 HydrophobicContact CD2-CD1 4.38Å; Y235-F271 AromaticContact CD2-CE1 3.7Å; Y235-F271 HydrophobicContact CD2-CE1 3.7Å; Y235-F271 AromaticContact CD2-CZ 3.84Å; Y235-F271 HydrophobicContact CD2-CZ 3.84Å; Y235-F271 HydrophobicContact CE2-CZ 4.34Å; I261-F271 WeakPolarHBondContact CA-O 3.23Å; T262-F271 PolarHBondContact N-O 3.44Å; T262-F271 PolarHBondContact O-N 3.25Å; V264-F271 HydrophobicContact CG2-CD2 4.44Å; V264-F271 HydrophobicContact CG2-CE2 4.3Å |
| 272 | I | 92.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 120.6 | 177.1 | -56.6 | -170.6 | 0 | 0 | 0 | 108.2 | T233 L234 I236 L248 F252 I258 I261 F274 | T233-I272 CarbonylContact C-O 3.5Å; T233-I272 VanDerWaalsContact CA-O 3.27Å; T233-I272 WeakPolarHBondContact CA-O 3.25Å; L234-I272 PolarHBondContact N-O 2.89Å; L234-I272 PolarHBondContact O-N 2.95Å; I236-I272 HydrophobicContact CD1-CD1 3.34Å; I236-I272 HydrophobicContact CD1-CG1 3.82Å; L248-I272 HydrophobicContact CB-CD1 4.41Å; F252-I272 HydrophobicContact CB-CD1 4.38Å; F252-I272 HydrophobicContact CD2-CD1 3.39Å; F252-I272 HydrophobicContact CE2-CD1 3.71Å; F252-I272 HydrophobicContact CG-CD1 3.85Å; F252-I272 HydrophobicContact CZ-CD1 4.36Å; I258-I272 HydrophobicContact CG2-CG2 3.76Å; I261-I272 HydrophobicContact CG1-CG1 4.46Å; I261-I272 HydrophobicContact CG1-CG2 4.43Å; I261-I272 HydrophobicContact CG2-CG1 4.3Å; I272-F274 HydrophobicContact CG2-CD2 4.33Å; I272-F274 HydrophobicContact CG2-CE2 3.82Å; I272-F274 HydrophobicContact CG2-CZ 4.06Å |
| 273 | Q | 92.4 | Very high | 90.8 | Very high | 63 Ų | 63 | 61.1 Ų | 61.1 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 123.1 | 175 | -170.7 | 176.8 | 10.3 | 0 | 0 | 110.2 | R259 T260 | R259-Q273 HydrophobicContact CB-CB 4.4Å; R259-Q273 HydrophobicContact CB-CG 4.35Å; R259-Q273 PolarHBondContact N-O 3.38Å; T260-Q273 PolarHBondContact N-O 2.91Å; T260-Q273 PolarHBondContact O-N 2.86Å; T260-Q273 WeakPolarHBondContact OG1-CB 3.38Å; T260-Q273 PolarHBondContact OG1-OE1 2.81Å |
| 274 | F | 94 | Very high | 90.8 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 155.3 | 174.8 | -73.4 | -85.1 | 0 | 0 | 0 | 112.5 | S232 L234 F252 I258 I272 A279 A280 A283 | S232-F274 WeakPolarHBondContact CB-O 3.42Å; S232-F274 PolarHBondContact O-N 3.38Å; S232-F274 PolarHBondContact OG-O 3.31Å; L234-F274 HydrophobicContact CD1-CD2 4.45Å; L234-F274 HydrophobicContact CD1-CE2 3.73Å; L234-F274 HydrophobicContact CG-CD2 4.44Å; L234-F274 HydrophobicContact CG-CE2 4.11Å; F252-F274 HydrophobicContact CB-CZ 4.11Å; F252-F274 AromaticContact CD1-CZ 3.88Å; F252-F274 HydrophobicContact CD1-CZ 3.88Å; F252-F274 HydrophobicContact CG-CZ 4.35Å; I258-F274 HydrophobicContact CG1-CD1 4.34Å; I258-F274 HydrophobicContact CG1-CE1 3.97Å; I272-F274 HydrophobicContact CG2-CD2 4.33Å; I272-F274 HydrophobicContact CG2-CE2 3.82Å; I272-F274 HydrophobicContact CG2-CZ 4.06Å; F274-A279 HydrophobicContact CB-CB 4.4Å; F274-A279 HydrophobicContact CD1-CB 3.93Å; F274-A279 HydrophobicContact CG-CB 4.33Å; F274-A280 HydrophobicContact CB-CB 4.13Å; F274-A280 HydrophobicContact CD2-CB 3.83Å; F274-A280 HydrophobicContact CG-CB 4.22Å; F274-A283 HydrophobicContact CE2-CB 3.96Å; F274-A283 HydrophobicContact CZ-CB 3.75Å |
| 275 | A | 92.6 | Very high | 90.6 | Very high | 27 Ų | 27 | 62.9 Ų | 62.9 | 22% | 0.223 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -69.9 | -35.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E257 R259 | E257-A275 HydrophobicContact CB-CB 4.07Å; E257-A275 HydrophobicContact CG-CB 4.39Å; E257-A275 WeakPolarHBondContact O-CB 3.25Å; E257-A275 PolarHBondContact O-N 2.64Å; R259-A275 HydrophobicContact CG-CB 4.11Å; R259-A275 PolarHBondContact NH2-O 2.85Å |
| 276 | T | 91.8 | Very high | 90.5 | Very high | 72 Ų | 72 | 61.8 Ų | 61.8 | 44% | 0.442 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -121.2 | 146.8 | -178.9 | 66.7 | 0 | 0 | 0 | 0 | 111.2 | Q278 A279 A280 | T276-Q278 VanDerWaalsContact C-N 3.35Å; T276-A279 PolarHBondContact O-N 2.91Å; T276-A279 WeakPolarHBondContact OG1-CB 3.42Å; T276-A279 PolarHBondContact OG1-N 3.36Å; T276-A280 PolarHBondContact O-N 3.34Å |
| 277 | R | 88.8 | Confident | 90.4 | Very high | 64 Ų | 64 | 50 Ų | 50 | 24% | 0.242 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.7 | -41.1 | 174.3 | 177.3 | 178.4 | 168.2 | 145.6 | 15.6 | 111.6 | P226 A279 A280 E281 | P226-R277 PolarHBondContact O-NH2 3.3Å; R277-A279 VanDerWaalsContact C-N 3.3Å; R277-A279 PolarHBondContact O-N 2.7Å; R277-A280 WeakPolarHBondContact O-CB 3.21Å; R277-A280 PolarHBondContact O-N 3.05Å; R277-E281 HydrophobicContact CG-CG 4.28Å; R277-E281 IonicContact CZ-OE1 3.15Å; R277-E281 IonicContact NE-OE1 2.71Å; R277-E281 PolarHBondContact NE-OE1 2.76Å; R277-E281 IonicContact NE-OE2 3.97Å; R277-E281 IonicContact NH2-OE1 2.78Å; R277-E281 PolarHBondContact NH2-OE1 2.97Å; R277-E281 PolarHBondContact O-N 2.86Å |
| 278 | Q | 91 | Very high | 90.4 | Very high | 146 Ų | 146 | 45.4 Ų | 45.4 | 68% | 0.682 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -59 | -41 | 179.5 | -66 | 176.3 | -0.8 | 0 | 0 | 111.9 | T276 E281 M282 | T276-Q278 VanDerWaalsContact C-N 3.35Å; Q278-E281 PolarHBondContact O-N 3.05Å; Q278-M282 WeakPolarHBondContact O-CB 3.4Å; Q278-M282 WeakPolarHBondContact O-CG 3.32Å; Q278-M282 PolarHBondContact O-N 3.03Å |
| 279 | A | 92.1 | Very high | 90.1 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 2% | 0.017 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.7 | -41 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F255 F274 T276 R277 A283 | F255-A279 WeakPolarHBondContact O-CB 3.35Å; F274-A279 HydrophobicContact CB-CB 4.4Å; F274-A279 HydrophobicContact CD1-CB 3.93Å; F274-A279 HydrophobicContact CG-CB 4.33Å; T276-A279 PolarHBondContact O-N 2.91Å; T276-A279 WeakPolarHBondContact OG1-CB 3.42Å; T276-A279 PolarHBondContact OG1-N 3.36Å; R277-A279 VanDerWaalsContact C-N 3.3Å; R277-A279 PolarHBondContact O-N 2.7Å; A279-A283 WeakPolarHBondContact O-CB 3.5Å; A279-A283 PolarHBondContact O-N 3.29Å |
| 280 | A | 90.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.7 | -41.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F274 T276 R277 A283 A284 W302 | F274-A280 HydrophobicContact CB-CB 4.13Å; F274-A280 HydrophobicContact CD2-CB 3.83Å; F274-A280 HydrophobicContact CG-CB 4.22Å; T276-A280 PolarHBondContact O-N 3.34Å; R277-A280 WeakPolarHBondContact O-CB 3.21Å; R277-A280 PolarHBondContact O-N 3.05Å; A280-A283 PolarHBondContact O-N 3.44Å; A280-A284 VanDerWaalsContact O-CB 3.27Å; A280-A284 WeakPolarHBondContact O-CB 3.12Å; A280-A284 PolarHBondContact O-N 2.95Å; A280-W302 HydrophobicContact CB-CH2 4.11Å; A280-W302 HydrophobicContact CB-CZ3 3.9Å |
| 281 | E | 90.8 | Very high | 89.4 | Confident | 48 Ų | 48 | 48.5 Ų | 48.5 | 22% | 0.224 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.9 | -48.5 | 177.3 | -72 | 176.9 | 160.9 | 0 | 0 | 111.4 | R277 Q278 A283 A284 E285 W302 | R277-E281 HydrophobicContact CG-CG 4.28Å; R277-E281 IonicContact CZ-OE1 3.15Å; R277-E281 IonicContact NE-OE1 2.71Å; R277-E281 PolarHBondContact NE-OE1 2.76Å; R277-E281 IonicContact NE-OE2 3.97Å; R277-E281 IonicContact NH2-OE1 2.78Å; R277-E281 PolarHBondContact NH2-OE1 2.97Å; R277-E281 PolarHBondContact O-N 2.86Å; Q278-E281 PolarHBondContact O-N 3.05Å; E281-A283 VanDerWaalsContact C-N 3.31Å; E281-A283 PolarHBondContact O-N 3.4Å; E281-A284 PolarHBondContact O-N 3.39Å; E281-E285 WeakPolarHBondContact O-CG 3.43Å; E281-E285 PolarHBondContact O-N 3.38Å; E281-W302 HydrophobicContact CB-CH2 4.32Å; E281-W302 HydrophobicContact CG-CH2 3.68Å; E281-W302 HydrophobicContact CG-CZ2 4.02Å |
| 282 | M | 88.9 | Confident | 89.2 | Confident | 88 Ų | 88 | 50.5 Ų | 50.5 | 43% | 0.433 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.3 | -40.9 | 175.3 | -73.4 | -168.4 | -63.8 | 0 | 0 | 112.3 | Q278 K286 | Q278-M282 WeakPolarHBondContact O-CB 3.4Å; Q278-M282 WeakPolarHBondContact O-CG 3.32Å; Q278-M282 PolarHBondContact O-N 3.03Å; M282-K286 WeakPolarHBondContact O-CB 3.46Å; M282-K286 WeakPolarHBondContact O-CG 3.46Å; M282-K286 PolarHBondContact O-N 3.45Å |
| 283 | A | 90.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.8 | -46.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L234 F252 F255 F274 A279 A280 E281 K286 S287 | L234-A283 HydrophobicContact CD1-CB 3.85Å; F252-A283 HydrophobicContact CD1-CB 4.14Å; F252-A283 HydrophobicContact CE1-CB 4.33Å; F255-A283 HydrophobicContact CB-CB 3.86Å; F255-A283 HydrophobicContact CD2-CB 3.64Å; F255-A283 HydrophobicContact CE2-CB 4.3Å; F255-A283 HydrophobicContact CG-CB 3.79Å; F274-A283 HydrophobicContact CE2-CB 3.96Å; F274-A283 HydrophobicContact CZ-CB 3.75Å; A279-A283 WeakPolarHBondContact O-CB 3.5Å; A279-A283 PolarHBondContact O-N 3.29Å; A280-A283 PolarHBondContact O-N 3.44Å; E281-A283 VanDerWaalsContact C-N 3.31Å; E281-A283 PolarHBondContact O-N 3.4Å; A283-K286 PolarHBondContact O-N 3Å; A283-S287 WeakPolarHBondContact O-CB 3.25Å; A283-S287 PolarHBondContact O-N 3.25Å; A283-S287 PolarHBondContact O-OG 3.23Å |
| 284 | A | 90.1 | Very high | 88.6 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.5 | -51.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L223 L234 A280 E281 K286 S287 F288 W302 | L223-A284 HydrophobicContact CD1-CB 4.14Å; L234-A284 HydrophobicContact CD1-CB 4.43Å; L234-A284 HydrophobicContact CD2-CB 4Å; A280-A284 VanDerWaalsContact O-CB 3.27Å; A280-A284 WeakPolarHBondContact O-CB 3.12Å; A280-A284 PolarHBondContact O-N 2.95Å; E281-A284 PolarHBondContact O-N 3.39Å; A284-K286 PolarHBondContact O-N 3.3Å; A284-S287 PolarHBondContact O-N 3.31Å; A284-S287 PolarHBondContact O-OG 3.43Å; A284-F288 VanDerWaalsContact O-CB 3.23Å; A284-F288 WeakPolarHBondContact O-CB 3.35Å; A284-F288 PolarHBondContact O-N 3.13Å; A284-W302 HydrophobicContact CB-CH2 4.06Å; A284-W302 HydrophobicContact CB-CZ2 3.59Å |
| 285 | E | 87.3 | Confident | 88.2 | Confident | 138 Ų | 138 | 56.2 Ų | 56.2 | 65% | 0.645 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -60 | -44.1 | -179.7 | -73.2 | 179 | -179.8 | 0 | 0 | 112.8 | E281 | E281-E285 WeakPolarHBondContact O-CG 3.43Å; E281-E285 PolarHBondContact O-N 3.38Å |
| 286 | K | 86.1 | Confident | 87.9 | Confident | 128 Ų | 128 | 60.2 Ų | 60.2 | 56% | 0.557 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -78.5 | -27.9 | -177.3 | -72.8 | -176.5 | 174.7 | -179.5 | 0 | 113.7 | F255 M282 A283 A284 K290 | F255-K286 HydrophobicContact CD1-CD 4.06Å; F255-K286 HydrophobicContact CE1-CB 3.67Å; F255-K286 HydrophobicContact CE1-CD 3.47Å; F255-K286 VanDerWaalsContact CE1-CD 3.47Å; F255-K286 HydrophobicContact CE1-CG 4.18Å; F255-K286 HydrophobicContact CZ-CB 3.93Å; F255-K286 HydrophobicContact CZ-CD 4.48Å; M282-K286 WeakPolarHBondContact O-CB 3.46Å; M282-K286 WeakPolarHBondContact O-CG 3.46Å; M282-K286 PolarHBondContact O-N 3.45Å; A283-K286 PolarHBondContact O-N 3Å; A284-K286 PolarHBondContact O-N 3.3Å; K286-K290 VanDerWaalsContact O-CD 3.28Å; K286-K290 WeakPolarHBondContact O-CD 3.32Å |
| 287 | S | 86.6 | Confident | 87.8 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.007 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -91.4 | -22.1 | -178.8 | 63.7 | 0 | 0 | 0 | 0 | 113.5 | A283 A284 N289 K290 L291 | A283-S287 WeakPolarHBondContact O-CB 3.25Å; A283-S287 PolarHBondContact O-N 3.25Å; A283-S287 PolarHBondContact O-OG 3.23Å; A284-S287 PolarHBondContact O-N 3.31Å; A284-S287 PolarHBondContact O-OG 3.43Å; S287-N289 PolarHBondContact O-N 3.19Å; S287-K290 PolarHBondContact O-N 3.34Å; S287-L291 WeakPolarHBondContact O-CB 3.01Å; S287-L291 PolarHBondContact O-N 3.5Å |
| 288 | F | 86.9 | Confident | 87.9 | Confident | 32 Ų | 32 | 61 Ų | 61 | 14% | 0.14 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | 122.9 | -176.5 | -167.8 | -120.3 | 0 | 0 | 0 | 113.4 | P221 L223 A284 K290 V300 | P221-F288 HydrophobicContact CB-CE1 4.06Å; P221-F288 HydrophobicContact CB-CZ 4.23Å; P221-F288 VanDerWaalsContact O-CE1 3.32Å; P221-F288 WeakPolarHBondContact O-CE1 3.22Å; L223-F288 HydrophobicContact CB-CD2 4.46Å; L223-F288 HydrophobicContact CB-CG 4.42Å; L223-F288 HydrophobicContact CD1-CB 3.85Å; L223-F288 HydrophobicContact CD1-CD2 3.19Å; L223-F288 HydrophobicContact CD1-CE2 3.82Å; L223-F288 HydrophobicContact CD1-CG 3.65Å; L223-F288 HydrophobicContact CD2-CE2 4.36Å; L223-F288 HydrophobicContact CG-CB 4.49Å; L223-F288 HydrophobicContact CG-CD1 4.4Å; L223-F288 HydrophobicContact CG-CD2 3.47Å; L223-F288 VanDerWaalsContact CG-CD2 3.47Å; L223-F288 HydrophobicContact CG-CE2 3.62Å; L223-F288 HydrophobicContact CG-CG 3.88Å; L223-F288 HydrophobicContact CG-CZ 4.15Å; A284-F288 VanDerWaalsContact O-CB 3.23Å; A284-F288 WeakPolarHBondContact O-CB 3.35Å; A284-F288 PolarHBondContact O-N 3.13Å; F288-K290 PolarHBondContact O-N 3.34Å; F288-V300 WeakPolarHBondContact CD2-O 3.32Å; F288-V300 WeakPolarHBondContact CE2-O 3.4Å |
| 289 | N | 83.3 | Confident | 87.9 | Confident | 58 Ų | 58 | 57.1 Ų | 57.1 | 31% | 0.31 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 14 | -178.7 | -69.8 | -36.1 | 0 | 0 | 0 | 115.5 | S287 R297 | S287-N289 PolarHBondContact O-N 3.19Å; N289-R297 PolarHBondContact O-NH1 2.89Å |
| 290 | K | 82.9 | Confident | 87.9 | Confident | 88 Ų | 88 | 57.1 Ų | 57.1 | 38% | 0.383 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | -29 | -178.9 | -73.5 | 178.5 | 169.7 | -170.7 | 0 | 113.9 | D145 K286 S287 F288 I292 | D145-K290 WeakPolarHBondContact OD1-CE 3.26Å; D145-K290 IonicContact OD1-NZ 2.74Å; D145-K290 PolarHBondContact OD1-NZ 3.37Å; D145-K290 WeakPolarHBondContact OD2-CE 3.22Å; D145-K290 IonicContact OD2-NZ 3.08Å; D145-K290 PolarHBondContact OD2-NZ 2.84Å; K286-K290 VanDerWaalsContact O-CD 3.28Å; K286-K290 WeakPolarHBondContact O-CD 3.32Å; S287-K290 PolarHBondContact O-N 3.34Å; F288-K290 PolarHBondContact O-N 3.34Å; K290-I292 PolarHBondContact O-N 2.92Å; K290-I292 VanDerWaalsContact O-N 3.09Å |
| 291 | L | 85.1 | Confident | 87.9 | Confident | 4 Ų | 4 | 63.1 Ų | 63.1 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | trans | -64.9 | 113.4 | -172 | -173.6 | 58.5 | 0 | 0 | 0 | 110.6 | H251 F252 S287 I293 R297 L298 V300 | H251-L291 WeakPolarHBondContact CD2-CD1 3.17Å; H251-L291 VanDerWaalsContact NE2-CD1 3.3Å; H251-L291 WeakPolarHBondContact NE2-CD1 3.46Å; F252-L291 HydrophobicContact CE2-CD2 3.87Å; F252-L291 HydrophobicContact CZ-CD2 3.65Å; S287-L291 WeakPolarHBondContact O-CB 3.01Å; S287-L291 PolarHBondContact O-N 3.5Å; L291-I293 HydrophobicContact CD1-CD1 3.94Å; L291-I293 HydrophobicContact CD1-CG1 3.82Å; L291-I293 HydrophobicContact CD2-CD1 4.44Å; L291-I293 HydrophobicContact CG-CD1 4.3Å; L291-I293 HydrophobicContact CG-CG1 4.19Å; L291-R297 WeakPolarHBondContact O-CA 3.3Å; L291-L298 HydrophobicContact CB-CB 4.32Å; L291-L298 HydrophobicContact CD2-CB 3.9Å; L291-L298 HydrophobicContact CD2-CD1 3.82Å; L291-L298 HydrophobicContact CD2-CG 4.38Å; L291-L298 HydrophobicContact CG-CB 4.02Å; L291-L298 HydrophobicContact CG-CD1 4.06Å; L291-L298 HydrophobicContact CG-CG 4.34Å; L291-L298 PolarHBondContact O-N 3Å; L291-V300 HydrophobicContact CD2-CG2 4.14Å | ||
| 292 | I | 88.5 | Confident | 87.9 | Confident | 100 Ų | 100 | 62.6 Ų | 62.6 | 51% | 0.513 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 114.1 | 173 | -59.9 | 171.3 | 0 | 0 | 0 | 107 | K290 R296 R297 | K290-I292 PolarHBondContact O-N 2.92Å; K290-I292 VanDerWaalsContact O-N 3.09Å; I292-R296 CarbonylContact C-O 3.57Å; I292-R296 VanDerWaalsContact CA-O 3.25Å; I292-R296 WeakPolarHBondContact CA-O 3.27Å; I292-R297 HydrophobicContact CG1-CB 4.46Å |
| 293 | I | 87.5 | Confident | 87.7 | Confident | 15 Ų | 15 | 58.6 Ų | 58.6 | 8% | 0.077 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 133.3 | 176.8 | -60.6 | -176.6 | 0 | 0 | 0 | 107.5 | V243 D247 L248 H251 L291 G295 R296 L298 | V243-I293 HydrophobicContact CG1-CG2 4.35Å; V243-I293 HydrophobicContact CG2-CG2 4.33Å; D247-I293 HydrophobicContact CB-CG2 3.99Å; L248-I293 HydrophobicContact CD2-CD1 3.93Å; H251-I293 HydrophobicContact CB-CD1 4.29Å; L291-I293 HydrophobicContact CD1-CD1 3.94Å; L291-I293 HydrophobicContact CD1-CG1 3.82Å; L291-I293 HydrophobicContact CD2-CD1 4.44Å; L291-I293 HydrophobicContact CG-CD1 4.3Å; L291-I293 HydrophobicContact CG-CG1 4.19Å; I293-G295 PolarHBondContact O-N 3.34Å; I293-G295 VanDerWaalsContact O-N 3.13Å; I293-R296 PolarHBondContact N-O 3.02Å; I293-R296 PolarHBondContact O-N 3Å; I293-L298 HydrophobicContact CB-CD1 4.13Å; I293-L298 HydrophobicContact CD1-CD1 3.77Å; I293-L298 HydrophobicContact CG1-CD1 4.02Å |
| 294 | N | 85.6 | Confident | 87.2 | Confident | 97 Ų | 97 | 69.6 Ų | 69.6 | 52% | 0.519 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 37.1 | -178.6 | -61 | -17.6 | 0 | 0 | 0 | 113.1 | T242 D247 R296 | T242-N294 PolarHBondContact O-ND2 3.11Å; D247-N294 PolarHBondContact OD2-ND2 3.22Å; N294-R296 PolarHBondContact O-N 2.98Å |
| 295 | G | 84.8 | Confident | 86 | Confident | 72 Ų | 72 | 71.8 Ų | 71.8 | 74% | 0.742 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 2.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | I293 | I293-G295 PolarHBondContact O-N 3.34Å; I293-G295 VanDerWaalsContact O-N 3.13Å |
| 296 | R | 86.9 | Confident | 84.7 | Confident | 110 Ų | 110 | 72.4 Ų | 72.4 | 42% | 0.415 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 135.6 | 178.4 | -68.9 | -175.9 | -177.2 | 167.4 | 1.1 | 111.6 | T242 I292 I293 N294 | T242-R296 PolarHBondContact OG1-NH1 3.43Å; T242-R296 VanDerWaalsContact OG1-NH1 3.15Å; I292-R296 CarbonylContact C-O 3.57Å; I292-R296 VanDerWaalsContact CA-O 3.25Å; I292-R296 WeakPolarHBondContact CA-O 3.27Å; I293-R296 PolarHBondContact N-O 3.02Å; I293-R296 PolarHBondContact O-N 3Å; N294-R296 PolarHBondContact O-N 2.98Å |
| 297 | R | 89.6 | Confident | 83.1 | Confident | 151 Ų | 151 | 70.5 Ų | 70.5 | 57% | 0.57 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 121 | 174.8 | 179.3 | -179.1 | -71.1 | -111.6 | -6 | 109.6 | N289 L291 I292 | N289-R297 PolarHBondContact O-NH1 2.89Å; L291-R297 WeakPolarHBondContact O-CA 3.3Å; I292-R297 HydrophobicContact CG1-CB 4.46Å |
| 298 | L | 91.5 | Very high | 81.6 | Confident | 1 Ų | 1 | 72.7 Ų | 72.7 | 1% | 0.005 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -94.1 | 142.3 | 175.4 | -56.9 | -175.9 | 0 | 0 | 0 | 110.1 | I236 G238 L248 L291 I293 | I236-L298 HydrophobicContact CG2-CB 3.91Å; I236-L298 HydrophobicContact CG2-CD1 3.99Å; I236-L298 HydrophobicContact CG2-CG 4.43Å; G238-L298 WeakPolarHBondContact O-CD2 3.15Å; L248-L298 HydrophobicContact CD2-CD1 4.17Å; L291-L298 HydrophobicContact CB-CB 4.32Å; L291-L298 HydrophobicContact CD2-CB 3.9Å; L291-L298 HydrophobicContact CD2-CD1 3.82Å; L291-L298 HydrophobicContact CD2-CG 4.38Å; L291-L298 HydrophobicContact CG-CB 4.02Å; L291-L298 HydrophobicContact CG-CD1 4.06Å; L291-L298 HydrophobicContact CG-CG 4.34Å; L291-L298 PolarHBondContact O-N 3Å; I293-L298 HydrophobicContact CB-CD1 4.13Å; I293-L298 HydrophobicContact CD1-CD1 3.77Å; I293-L298 HydrophobicContact CG1-CD1 4.02Å |
| 299 | T | 90.2 | Very high | 79.9 | Confident | 65 Ų | 65 | 81 Ų | 81 | 40% | 0.399 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 129.7 | 175.5 | 59.8 | 0 | 0 | 0 | 0 | 109.1 | I236 G237 | I236-T299 CarbonylContact C-O 3.56Å; I236-T299 VanDerWaalsContact CA-O 3.27Å; I236-T299 WeakPolarHBondContact CA-O 3.39Å; G237-T299 WeakPolarHBondContact CA-OG1 3.4Å; G237-T299 PolarHBondContact N-O 2.83Å; G237-T299 PolarHBondContact O-N 2.69Å; G237-T299 PolarHBondContact O-OG1 3.42Å |
| 300 | V | 91.7 | Very high | 77.9 | Confident | 2 Ų | 2 | 81.7 Ų | 81.7 | 1% | 0.012 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 133.2 | 179.1 | -176.6 | 0 | 0 | 0 | 0 | 108.7 | L223 L234 Y235 F288 L291 | L223-V300 HydrophobicContact CD1-CG1 4.28Å; L234-V300 HydrophobicContact CD1-CG1 4.36Å; Y235-V300 CarbonylContact O-C 3.58Å; Y235-V300 WeakPolarHBondContact O-CA 3.37Å; F288-V300 WeakPolarHBondContact CD2-O 3.32Å; F288-V300 WeakPolarHBondContact CE2-O 3.4Å; L291-V300 HydrophobicContact CD2-CG2 4.14Å |
| 301 | K | 91.2 | Very high | 76.1 | Confident | 126 Ų | 126 | 86.5 Ų | 86.5 | 55% | 0.548 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 160.8 | 174.2 | -60.1 | -178.6 | 177.8 | 176.6 | 0 | 109.5 | Y235 | Y235-K301 HydrophobicContact CD1-CB 3.93Å; Y235-K301 HydrophobicContact CD1-CD 4.26Å; Y235-K301 HydrophobicContact CD1-CG 4.23Å; Y235-K301 HydrophobicContact CE1-CD 4.46Å; Y235-K301 PolarHBondContact N-O 2.96Å; Y235-K301 PolarHBondContact O-N 3.08Å |
| 302 | W | 91.3 | Very high | 74 | Confident | 38 Ų | 38 | 93.4 Ų | 93.4 | 14% | 0.144 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 133.5 | 169.1 | -70.1 | 110.9 | 0 | 0 | 0 | 110.7 | L223 D224 P225 P226 L234 A280 E281 A284 | L223-W302 VanDerWaalsContact CD2-CD1 3.49Å; L223-W302 HydrophobicContact CD2-CG 4.34Å; D224-W302 PolarHBondContact O-NE1 3.42Å; P225-W302 HydrophobicContact CB-CZ2 4.49Å; P226-W302 VanDerWaalsContact CD-CE2 3.41Å; P226-W302 HydrophobicContact CG-CD2 3.98Å; P226-W302 HydrophobicContact CG-CE3 3.86Å; P226-W302 HydrophobicContact CG-CG 4.33Å; P226-W302 HydrophobicContact CG-CZ3 4.22Å; L234-W302 HydrophobicContact CD2-CD2 4.01Å; L234-W302 HydrophobicContact CD2-CE3 3.46Å; L234-W302 VanDerWaalsContact CD2-CE3 3.46Å; L234-W302 HydrophobicContact CD2-CH2 4.1Å; L234-W302 HydrophobicContact CD2-CZ3 3.52Å; A280-W302 HydrophobicContact CB-CH2 4.11Å; A280-W302 HydrophobicContact CB-CZ3 3.9Å; E281-W302 HydrophobicContact CB-CH2 4.32Å; E281-W302 HydrophobicContact CG-CH2 3.68Å; E281-W302 HydrophobicContact CG-CZ2 4.02Å; A284-W302 HydrophobicContact CB-CH2 4.06Å; A284-W302 HydrophobicContact CB-CZ2 3.59Å |
| 303 | G | 84.3 | Confident | 71.8 | Confident | 4 Ų | 4 | 92.1 Ų | 92.1 | 4% | 0.041 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 141.9 | 175 | 0 | 0 | 0 | 0 | 0 | 110.6 | I231 T233 | I231-G303 VanDerWaalsContact CG2-O 3.25Å; I231-G303 WeakPolarHBondContact CG2-O 3.28Å; T233-G303 WeakPolarHBondContact O-CA 3.4Å; T233-G303 PolarHBondContact O-N 3.47Å |
| 304 | R | 80.9 | Confident | 69.6 | Low | 231 Ų | 231 | 100.9 Ų | 100.9 | 87% | 0.872 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -89.9 | 140.2 | 170.9 | -62.8 | -177.6 | -178.7 | -128.7 | 0.2 | 108.7 | Q306 | R304-Q306 PolarHBondContact O-N 2.97Š|
| 305 | S | 64.4 | Low | 67.2 | Low | 46 Ų | 46 | 105 Ų | 105 | 32% | 0.322 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 135.8 | 177.1 | 62.2 | 0 | 0 | 0 | 0 | 110.1 | A307 A308 | S305-A307 PolarHBondContact O-N 3.46Å; S305-A308 WeakPolarHBondContact O-CB 3.12Å; S305-A308 PolarHBondContact O-N 3.46Å |
| 306 | Q | 59.8 | Low | 64.9 | Low | 152 Ų | 152 | 105.8 Ų | 105.8 | 71% | 0.71 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | -27.2 | 174.6 | -76.9 | -78.4 | -13.7 | 0 | 0 | 111.6 | R304 A308 R309 | R304-Q306 PolarHBondContact O-N 2.97Å; Q306-A308 VanDerWaalsContact C-N 3.31Å; Q306-A308 PolarHBondContact O-N 3.12Å; Q306-R309 PolarHBondContact O-N 3.3Å |
| 307 | A | 53.1 | Low | 62.6 | Low | 87 Ų | 87 | 106.8 Ų | 106.8 | 72% | 0.719 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -27 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | S305 | S305-A307 PolarHBondContact O-N 3.46Š|
| 308 | A | 53.5 | Low | 60.3 | Low | 47 Ų | 47 | 104.7 Ų | 104.7 | 39% | 0.388 | 58% | 0.584 | S | S | . | * | G | 310 helix | trans | -73.7 | -30 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S305 Q306 G310 K311 | S305-A308 WeakPolarHBondContact O-CB 3.12Å; S305-A308 PolarHBondContact O-N 3.46Å; Q306-A308 VanDerWaalsContact C-N 3.31Å; Q306-A308 PolarHBondContact O-N 3.12Å; A308-G310 PolarHBondContact O-N 3.47Å; A308-K311 PolarHBondContact O-N 3.03Å |
| 309 | R | 51 | Low | 58.2 | Low | 207 Ų | 207 | 113.9 Ų | 113.9 | 78% | 0.781 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -70 | -12.2 | 177.7 | -108.5 | -172.1 | 169.8 | -174.4 | -3.1 | 114.3 | Q306 | Q306-R309 PolarHBondContact O-N 3.3Š|
| 310 | G | 42.2 | Very low | 56.2 | Low | 73 Ų | 73 | 118.9 Ų | 118.9 | 75% | 0.753 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -89.1 | -2.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | A308 | A308-G310 PolarHBondContact O-N 3.47Š|
| 311 | K | 44.5 | Very low | 54.1 | Low | 188 Ų | 188 | 122.9 Ų | 122.9 | 82% | 0.817 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -128.9 | 8.1 | -173.6 | -128.7 | -178.3 | -178.1 | -176 | 0 | 115.7 | A308 | A308-K311 PolarHBondContact O-N 3.03Š|
| 312 | D | 42.3 | Very low | 51.8 | Low | 149 Ų | 149 | 122.1 Ų | 122.1 | 80% | 0.797 | 70% | 0.695 | S | S | * | * | trans | -115.5 | 73.9 | 171 | -74.1 | -69.7 | 0 | 0 | 0 | 109 | ||||
| 313 | G | 42.2 | Very low | 49.4 | Very low | 74 Ų | 74 | 128 Ų | 128 | 76% | 0.763 | 73% | 0.727 | S | S | * | * | trans | -127.1 | 54.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 314 | K | 40.5 | Very low | 47.3 | Very low | 199 Ų | 199 | 135 Ų | 135 | 87% | 0.865 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 171.1 | 90.5 | 156.4 | -101.6 | 174.6 | -179.3 | -178.7 | 0 | 107.9 | ||
| 315 | E | 34.8 | Very low | 45.6 | Very low | 182 Ų | 182 | 130.7 Ų | 130.7 | 85% | 0.85 | 76% | 0.758 | S | S | * | * | trans | -176 | 119.7 | 142.9 | -102.6 | 168.4 | -170.8 | 0 | 0 | 107.7 | V317 | E315-V317 PolarHBondContact O-N 3.37Å; E315-V317 VanDerWaalsContact O-N 3.1Å | ||
| 316 | G | 38 | Very low | 44.9 | Very low | 90 Ų | 90 | 134.2 Ų | 134.2 | 93% | 0.928 | 78% | 0.779 | S | S | * | * | trans | -67.7 | 106.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 317 | V | 37.5 | Very low | 44.2 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 79% | 0.788 | 78% | 0.783 | S | S | * | * | trans | -112.1 | 108.6 | 167.5 | 177.4 | 0 | 0 | 0 | 0 | 107.4 | E315 | E315-V317 PolarHBondContact O-N 3.37Å; E315-V317 VanDerWaalsContact O-N 3.1Å | ||
| 318 | S | 41.6 | Very low | 43.8 | Very low | 108 Ų | 108 | 135.2 Ų | 135.2 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -67.6 | 145.5 | 166 | -72 | 0 | 0 | 0 | 0 | 110.6 | M320 | S318-M320 PolarHBondContact O-N 3.43Š| ||
| 319 | E | 46.9 | Very low | 44 | Very low | 194 Ų | 194 | 136.6 Ų | 136.6 | 91% | 0.907 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -48.1 | 126.2 | 164.9 | -162.5 | 170.9 | 143.1 | 0 | 0 | 110.2 | ||
| 320 | M | 49.4 | Very low | 44.1 | Very low | 170 Ų | 170 | 134.4 Ų | 134.4 | 84% | 0.837 | 81% | 0.811 | S | S | * | * | S | Bend | trans | 96.3 | 92 | -179.1 | -146.3 | 138.8 | 78.6 | 0 | 0 | 114.9 | S318 T322 | S318-M320 PolarHBondContact O-N 3.43Å; M320-T322 PolarHBondContact O-N 3.25Å |
| 321 | G | 47.3 | Very low | 44.3 | Very low | 85 Ų | 85 | 136.9 Ų | 136.9 | 88% | 0.876 | 81% | 0.813 | S | S | * | * | trans | -67.6 | 97.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 322 | T | 42.3 | Very low | 44.9 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 68% | 0.681 | 81% | 0.808 | S | S | * | * | trans | -141.2 | 113.4 | 160 | -20.3 | 0 | 0 | 0 | 0 | 108.1 | M320 | M320-T322 PolarHBondContact O-N 3.25Š| ||
| 323 | I | 41.1 | Very low | 45.7 | Very low | 160 Ų | 160 | 129.1 Ų | 129.1 | 82% | 0.821 | 81% | 0.812 | S | S | * | * | trans | -77 | 120.3 | 170.8 | -72.9 | 168 | 0 | 0 | 0 | 106.7 | ||||
| 324 | L | 40.2 | Very low | 45.6 | Very low | 152 Ų | 152 | 133.2 Ų | 133.2 | 80% | 0.796 | 82% | 0.816 | S | S | * | * | trans | -109.2 | 123.9 | 167.4 | -66 | 176.4 | 0 | 0 | 0 | 107.9 | ||||
| 325 | D | 45.7 | Very low | 46.1 | Very low | 141 Ų | 141 | 129 Ų | 129 | 75% | 0.754 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 138.3 | 173.3 | -68.5 | -57.7 | 0 | 0 | 0 | 110.5 | V327 | D325-V327 PolarHBondContact O-N 3.4Š|
| 326 | P | 48.2 | Very low | 47.1 | Very low | 119 Ų | 119 | 126 Ų | 126 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 129.7 | -179.5 | 25.5 | -30 | 0 | 0 | 0 | 111.4 | P328 | P326-P328 WeakPolarHBondContact O-CD 3.41Š|
| 327 | V | 46.2 | Very low | 47.4 | Very low | 130 Ų | 130 | 127.2 Ų | 127.2 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 125.4 | 178 | -179.8 | 0 | 0 | 0 | 0 | 110 | D325 G329 | D325-V327 PolarHBondContact O-N 3.4Å; V327-G329 PolarHBondContact O-N 2.91Å |
| 328 | P | 45.5 | Very low | 47.8 | Very low | 130 Ų | 130 | 126.9 Ų | 126.9 | 84% | 0.844 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | 124.7 | 176.4 | -22.5 | 33.5 | 0 | 0 | 0 | 112.1 | P326 | P326-P328 WeakPolarHBondContact O-CD 3.41Š|
| 329 | G | 56.8 | Low | 48.1 | Very low | 77 Ų | 77 | 126.3 Ų | 126.3 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 134.3 | -1.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | V327 | V327-G329 PolarHBondContact O-N 2.91Š|
| 330 | L | 52.9 | Low | 47.6 | Very low | 160 Ų | 160 | 123.9 Ų | 123.9 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -104.9 | 134.8 | 174 | -119.2 | 74.1 | 0 | 0 | 0 | 111 | G332 | L330-G332 PolarHBondContact O-N 3.26Š|
| 331 | P | 47.4 | Very low | 46.9 | Very low | 125 Ų | 125 | 123 Ų | 123 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 133.6 | 173.5 | 25 | -31.3 | 0 | 0 | 0 | 110.5 | ||
| 332 | G | 56.1 | Low | 46.8 | Very low | 68 Ų | 68 | 127.5 Ų | 127.5 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -62 | 159.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L330 L334 | L330-G332 PolarHBondContact O-N 3.26Å; G332-L334 PolarHBondContact O-N 3.33Å |
| 333 | A | 59 | Low | 46.7 | Very low | 106 Ų | 106 | 131 Ų | 131 | 88% | 0.876 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 132.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 334 | L | 40.8 | Very low | 46.5 | Very low | 161 Ų | 161 | 128 Ų | 128 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 147.6 | 178.9 | -71.8 | 168 | 0 | 0 | 0 | 111.6 | G332 | G332-L334 PolarHBondContact O-N 3.33Š|
| 335 | P | 50.6 | Low | 46.8 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 147.9 | 179.8 | 27.2 | -34 | 0 | 0 | 0 | 111.8 | ||
| 336 | P | 56.3 | Low | 46.5 | Very low | 120 Ų | 120 | 124.2 Ų | 124.2 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 140.4 | 177.4 | 29.5 | -32.6 | 0 | 0 | 0 | 110.6 | ||
| 337 | P | 43 | Very low | 46.5 | Very low | 115 Ų | 115 | 125.9 Ų | 125.9 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 153.6 | 179.1 | 28.8 | -32.5 | 0 | 0 | 0 | 111.7 | ||
| 338 | P | 45.6 | Very low | 46.5 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 146.1 | -176.5 | 28.5 | -32.6 | 0 | 0 | 0 | 111.7 | L340 | P338-L340 PolarHBondContact O-N 3.38Š|
| 339 | A | 48.1 | Very low | 46.3 | Very low | 97 Ų | 97 | 131.4 Ų | 131.4 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 119.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 340 | L | 36.7 | Very low | 46 | Very low | 142 Ų | 142 | 135.7 Ų | 135.7 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | trans | -145.8 | 113.3 | 162 | -74.9 | 173.4 | 0 | 0 | 0 | 109.4 | P338 | P338-L340 PolarHBondContact O-N 3.38Š| ||
| 341 | D | 36 | Very low | 45.9 | Very low | 153 Ų | 153 | 135.9 Ų | 135.9 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | 60.3 | 147.4 | 129.2 | -42.1 | -20.1 | 0 | 0 | 0 | 121.8 | |||||
| 342 | E | 44.6 | Very low | 45.4 | Very low | 179 Ų | 179 | 137.1 Ų | 137.1 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -52 | 149.9 | -172.1 | -120.9 | 160.1 | 107.1 | 0 | 0 | 116.2 | ||
| 343 | E | 39.2 | Very low | 44.7 | Very low | 184 Ų | 184 | 139.8 Ų | 139.8 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | 76.9 | 91.7 | 160.5 | -59.2 | -171.5 | 125.4 | 0 | 0 | 120 | ||||
| 344 | A | 38 | Very low | 43.6 | Very low | 98 Ų | 98 | 139.7 Ų | 139.7 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | -167.6 | 142.7 | 135.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 345 | P | 45.6 | Very low | 43.3 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | trans | -81.2 | 145.6 | -178 | 32.5 | -34 | 0 | 0 | 0 | 113.5 | N347 | P345-N347 PolarHBondContact O-N 2.9Å; P345-N347 VanDerWaalsContact O-N 3.14Å | ||
| 346 | A | 41 | Very low | 42.5 | Very low | 99 Ų | 99 | 137.8 Ų | 137.8 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -67.7 | 104 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y348 | A346-Y348 PolarHBondContact O-N 3.16Š| ||
| 347 | N | 47.6 | Very low | 42.1 | Very low | 154 Ų | 154 | 137.7 Ų | 137.7 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | trans | -84.3 | 83 | 165 | -76.7 | -44 | 0 | 0 | 0 | 110.1 | P345 F349 | P345-N347 PolarHBondContact O-N 2.9Å; P345-N347 VanDerWaalsContact O-N 3.14Å; N347-F349 VanDerWaalsContact C-N 3.29Å; N347-F349 PolarHBondContact O-N 3.04Å | ||
| 348 | Y | 46.7 | Very low | 41.6 | Very low | 209 Ų | 209 | 136.5 Ų | 136.5 | 82% | 0.82 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -3.8 | -178.7 | -173.5 | -99.3 | 0 | 0 | 0 | 114.1 | A346 | A346-Y348 PolarHBondContact O-N 3.16Š|
| 349 | F | 41.6 | Very low | 41 | Very low | 167 Ų | 167 | 138.5 Ų | 138.5 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.3 | 23.1 | -167.5 | -102.7 | -77.1 | 0 | 0 | 0 | 116.6 | N347 L351 | N347-F349 VanDerWaalsContact C-N 3.29Å; N347-F349 PolarHBondContact O-N 3.04Å; F349-L351 PolarHBondContact O-N 3.45Å |
| 350 | N | 48.7 | Very low | 40.5 | Very low | 167 Ų | 167 | 141.6 Ų | 141.6 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | trans | 29.1 | 73.4 | 166.7 | -104.5 | -26.8 | 0 | 0 | 0 | 115.6 | ||||
| 351 | L | 51.4 | Low | 40.6 | Very low | 164 Ų | 164 | 141.9 Ų | 141.9 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | trans | -121.2 | 136.3 | 167.2 | -70.5 | 171.5 | 0 | 0 | 0 | 109.4 | F349 | F349-L351 PolarHBondContact O-N 3.45Š| ||
| 352 | D | 36.9 | Very low | 40.5 | Very low | 151 Ų | 151 | 142.5 Ų | 142.5 | 81% | 0.807 | 81% | 0.807 | S | S | * | * | trans | -65.3 | 136.1 | -175.4 | -161.8 | -31.5 | 0 | 0 | 0 | 112 | S354 | D352-S354 PolarHBondContact O-N 2.87Š| ||
| 353 | P | 40.5 | Very low | 40.1 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | trans | -91 | 102.2 | -177.7 | 34.4 | -29.1 | 0 | 0 | 0 | 110.9 | ||||
| 354 | S | 36.9 | Very low | 40.1 | Very low | 103 Ų | 103 | 137.5 Ų | 137.5 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | trans | -133.2 | 123.5 | 162 | 88.8 | 0 | 0 | 0 | 0 | 111.5 | D352 | D352-S354 PolarHBondContact O-N 2.87Š| ||
| 355 | S | 34.6 | Very low | 40.4 | Very low | 119 Ų | 119 | 138 Ų | 138 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | 81.7 | 92.7 | 167.7 | 71.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 356 | S | 33.8 | Very low | 40.7 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | trans | -75.2 | 174.8 | 142.2 | -41.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 357 | P | 46.8 | Very low | 41.2 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | cis | -132.1 | 170 | -12.4 | 28.8 | -7.2 | 0 | 0 | 0 | 114.2 | ||||
| 358 | A | 32.5 | Very low | 41 | Very low | 90 Ų | 90 | 138.1 Ų | 138.1 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | trans | 58.4 | 119.2 | 148.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 359 | I | 33.8 | Very low | 40.5 | Very low | 165 Ų | 165 | 131.8 Ų | 131.8 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | -167.7 | 154.6 | 115.7 | -93.7 | 159.5 | 0 | 0 | 0 | 109.7 | |||||
| 360 | M | 37.1 | Very low | 40.4 | Very low | 162 Ų | 162 | 132 Ų | 132 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | trans | -64.5 | 160.5 | -163.6 | -55.3 | 172.1 | -132.6 | 0 | 0 | 117.1 | ||||
| 361 | N | 40 | Very low | 40 | Very low | 148 Ų | 148 | 131.6 Ų | 131.6 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | 55.8 | 125.5 | 146 | -88.7 | -2.1 | 0 | 0 | 0 | 119.7 | ||||
| 362 | I | 32.6 | Very low | 39.9 | Very low | 166 Ų | 166 | 129 Ų | 129 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | 176.5 | 147.3 | 114.4 | -86.6 | 152.5 | 0 | 0 | 0 | 111.1 | |||||
| 363 | A | 36.9 | Very low | 40.4 | Very low | 91 Ų | 91 | 127.5 Ų | 127.5 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | -33.6 | 144.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 364 | I | 38.9 | Very low | 40.6 | Very low | 166 Ų | 166 | 127.4 Ų | 127.4 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 129.3 | 167.5 | -61 | 171.6 | 0 | 0 | 0 | 109.1 | ||
| 365 | P | 43.8 | Very low | 41 | Very low | 108 Ų | 108 | 128.9 Ų | 128.9 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -84 | 161.5 | 173.3 | 33.2 | -32.9 | 0 | 0 | 0 | 113.2 | ||
| 366 | P | 51.7 | Low | 41.2 | Very low | 117 Ų | 117 | 126.3 Ų | 126.3 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 161.1 | -163.8 | 36.4 | -35.3 | 0 | 0 | 0 | 114 | ||
| 367 | P | 52.6 | Low | 41.4 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 153.7 | 170.2 | 32 | -31.7 | 0 | 0 | 0 | 112.5 | ||
| 368 | P | 42.3 | Very low | 41.3 | Very low | 134 Ų | 134 | 130 Ų | 130 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 134.5 | -169.2 | 11.1 | 5.9 | 0 | 0 | 0 | 114.2 | ||
| 369 | G | 36.8 | Very low | 42.1 | Very low | 75 Ų | 75 | 131.5 Ų | 131.5 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | 85.3 | 84.2 | 126.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 370 | I | 39.6 | Very low | 42.5 | Very low | 172 Ų | 172 | 129.8 Ų | 129.8 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | trans | -114.4 | 115.5 | 150.7 | -62.4 | 174.1 | 0 | 0 | 0 | 106.6 | ||||
| 371 | N | 40.7 | Very low | 42.6 | Very low | 159 Ų | 159 | 130.6 Ų | 130.6 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 150.1 | 172.1 | -102 | -3.7 | 0 | 0 | 0 | 111.2 | ||
| 372 | P | 49.4 | Very low | 42.6 | Very low | 109 Ų | 109 | 133 Ų | 133 | 71% | 0.708 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 163.2 | -167.8 | 37.3 | -35 | 0 | 0 | 0 | 113.7 | ||
| 373 | P | 47.7 | Very low | 42.7 | Very low | 119 Ų | 119 | 134 Ų | 134 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 151.9 | 167 | 34 | -30.1 | 0 | 0 | 0 | 112.3 | ||
| 374 | P | 44.6 | Very low | 43 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 170.1 | -177.5 | 35.8 | -34.8 | 0 | 0 | 0 | 113.5 | ||
| 375 | P | 44.3 | Very low | 43.1 | Very low | 134 Ų | 134 | 136.1 Ų | 136.1 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 151.4 | -158.2 | 36.5 | -30.9 | 0 | 0 | 0 | 114.2 | ||
| 376 | G | 40.2 | Very low | 42.6 | Very low | 66 Ų | 66 | 134.5 Ų | 134.5 | 68% | 0.68 | 81% | 0.814 | S | S | * | * | trans | 141.3 | 108.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 377 | Y | 36.8 | Very low | 42.3 | Very low | 242 Ų | 242 | 134.6 Ų | 134.6 | 95% | 0.949 | 82% | 0.815 | S | S | * | * | trans | 159.4 | 114.6 | 130.9 | -94.2 | -81.2 | 0 | 0 | 0 | 108.2 | ||||
| 378 | G | 44.8 | Very low | 41.9 | Very low | 66 Ų | 66 | 137.9 Ų | 137.9 | 68% | 0.68 | 82% | 0.822 | S | S | * | * | trans | -71.6 | 177.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 379 | P | 49.4 | Very low | 41.9 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 79% | 0.786 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -85 | 146.6 | -171.8 | 35 | -31.9 | 0 | 0 | 0 | 110.9 | ||
| 380 | P | 42.7 | Very low | 42.4 | Very low | 129 Ų | 129 | 138.5 Ų | 138.5 | 84% | 0.838 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -88 | 129.3 | 171.4 | 32.5 | -27.5 | 0 | 0 | 0 | 110.7 | ||
| 381 | M | 39.6 | Very low | 42.6 | Very low | 179 Ų | 179 | 136.5 Ų | 136.5 | 88% | 0.882 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 148.7 | 167.8 | -71.3 | -87.9 | -96.5 | 0 | 0 | 111.1 | ||
| 382 | F | 38.7 | Very low | 43 | Very low | 198 Ų | 198 | 135.5 Ų | 135.5 | 87% | 0.868 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 145.7 | 161.2 | -100.1 | -103.7 | 0 | 0 | 0 | 112.1 | ||
| 383 | H | 35.8 | Very low | 42.8 | Very low | 186 Ų | 186 | 135.8 Ų | 135.8 | 86% | 0.861 | 82% | 0.821 | S | S | * | * | trans | -168 | 163.9 | 144.9 | -97.3 | 11.7 | 0 | 0 | 0 | 112.9 | ||||
| 384 | P | 42.4 | Very low | 42.9 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 78% | 0.779 | 82% | 0.821 | S | S | * | * | trans | -101.9 | -179.2 | -136.1 | 40.8 | -39.6 | 0 | 0 | 0 | 117.5 | ||||
| 385 | L | 40.2 | Very low | 42.6 | Very low | 182 Ų | 182 | 136 Ų | 136 | 95% | 0.953 | 82% | 0.822 | S | S | * | * | trans | -31.7 | 137.7 | 175.4 | -68.5 | 152.1 | 0 | 0 | 0 | 118.9 | ||||
| 386 | G | 34.3 | Very low | 42.6 | Very low | 74 Ų | 74 | 137.7 Ų | 137.7 | 76% | 0.763 | 82% | 0.823 | S | S | * | * | trans | 166.1 | 155.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 387 | P | 44.7 | Very low | 42.7 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 78% | 0.779 | 83% | 0.826 | S | S | * | * | trans | -112.3 | 154.9 | -134.6 | 38.6 | -30.6 | 0 | 0 | 0 | 119.3 | ||||
| 388 | M | 45.4 | Very low | 42.8 | Very low | 187 Ų | 187 | 137.2 Ų | 137.2 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | trans | 57.4 | 110.1 | 143.9 | -56.6 | -82.6 | -176.7 | 0 | 0 | 121.6 | ||||
| 389 | A | 41.8 | Very low | 42.8 | Very low | 99 Ų | 99 | 145.1 Ų | 145.1 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | trans | -158.4 | 147.3 | 146.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 390 | P | 47.6 | Very low | 42.7 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 80% | 0.799 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 160.5 | -168.1 | 37.3 | -33.7 | 0 | 0 | 0 | 114.1 | ||
| 391 | P | 43 | Very low | 42.9 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 84% | 0.844 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 147.1 | -178 | 35.2 | -31.4 | 0 | 0 | 0 | 114 | ||
| 392 | V | 49.6 | Very low | 43 | Very low | 138 Ų | 138 | 139.9 Ų | 139.9 | 84% | 0.836 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 155.9 | 176.3 | -112.4 | 0 | 0 | 0 | 0 | 112.4 | ||
| 393 | P | 45.9 | Very low | 43.6 | Very low | 116 Ų | 116 | 137.3 Ų | 137.3 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -92 | 155.6 | -173.9 | 36.1 | -31.8 | 0 | 0 | 0 | 113.8 | ||
| 394 | P | 49 | Very low | 44.4 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 78% | 0.779 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 163.9 | 174.2 | 35.7 | -31.7 | 0 | 0 | 0 | 113.3 | ||
| 395 | P | 39.2 | Very low | 44.8 | Very low | 127 Ų | 127 | 137 Ų | 137 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 151.6 | -161.3 | 34.1 | -33.9 | 0 | 0 | 0 | 114.2 | ||
| 396 | L | 44.1 | Very low | 45.6 | Very low | 168 Ų | 168 | 135.9 Ų | 135.9 | 88% | 0.88 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 120.1 | 170.8 | -78.6 | 157.8 | 0 | 0 | 0 | 110.6 | ||
| 397 | T | 42.1 | Very low | 46.3 | Very low | 121 Ų | 121 | 137.6 Ų | 137.6 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | 171.5 | 117.3 | 138 | 37.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 398 | M | 38.9 | Very low | 46.8 | Very low | 177 Ų | 177 | 136.8 Ų | 136.8 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | 161.5 | 137.6 | 137.5 | -82.1 | -61.2 | 109.3 | 0 | 0 | 111.1 | ||||
| 399 | R | 45.1 | Very low | 47.2 | Very low | 232 Ų | 232 | 134.9 Ų | 134.9 | 88% | 0.875 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 149.6 | -167 | -155.8 | 171.9 | -179 | -148.1 | 1.9 | 113.6 | ||
| 400 | P | 46.1 | Very low | 47.7 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -76 | 146 | -178.5 | 30.3 | -33.3 | 0 | 0 | 0 | 112.5 | ||
| 401 | P | 47.5 | Very low | 48 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 147.9 | 174.2 | 30.2 | -31.7 | 0 | 0 | 0 | 112 | ||
| 402 | G | 42.3 | Very low | 48.7 | Very low | 73 Ų | 73 | 136.2 Ų | 136.2 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -65 | 162.6 | -169.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 403 | T | 50.2 | Low | 48.7 | Very low | 145 Ų | 145 | 140 Ų | 140 | 89% | 0.89 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 127.3 | 179.3 | 40.1 | 0 | 0 | 0 | 0 | 112.5 | H405 | T403-H405 PolarHBondContact O-N 3.4Š|
| 404 | I | 52.4 | Low | 49.1 | Very low | 153 Ų | 153 | 143.1 Ų | 143.1 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | -69.5 | 113 | 172 | -63.8 | 166.8 | 0 | 0 | 0 | 108.5 | Y406 | I404-Y406 HydrophobicContact CG2-CD2 4.46Š| ||
| 405 | H | 51.7 | Low | 48.8 | Very low | 146 Ų | 146 | 140.9 Ų | 140.9 | 68% | 0.676 | 77% | 0.769 | S | S | * | * | trans | -82.5 | 118.4 | 179.1 | -165.1 | -34.3 | 0 | 0 | 0 | 110.1 | T403 | T403-H405 PolarHBondContact O-N 3.4Š| ||
| 406 | Y | 57.3 | Low | 48.8 | Very low | 158 Ų | 158 | 138.8 Ų | 138.8 | 62% | 0.62 | 76% | 0.762 | S | S | * | * | trans | -89.6 | 139.2 | 172.9 | -106.9 | -95.5 | 0 | 0 | 0 | 110.6 | I404 S408 Q409 | I404-Y406 HydrophobicContact CG2-CD2 4.46Å; Y406-S408 PolarHBondContact O-N 2.81Å; Y406-Q409 PolarHBondContact O-N 2.9Å | ||
| 407 | P | 47.8 | Very low | 48.5 | Very low | 111 Ų | 111 | 140.1 Ų | 140.1 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | 3.9 | -179.3 | -23.3 | 34.3 | 0 | 0 | 0 | 116.7 | ||
| 408 | S | 55.4 | Low | 48.2 | Very low | 103 Ų | 103 | 140.4 Ų | 140.4 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 1.4 | 177.9 | 55.3 | 0 | 0 | 0 | 0 | 113.9 | Y406 | Y406-S408 PolarHBondContact O-N 2.81Š|
| 409 | Q | 53.4 | Low | 48.1 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 69% | 0.687 | 77% | 0.769 | S | S | * | * | trans | -110.4 | 14.9 | -175.5 | -67.9 | -172.9 | -9.9 | 0 | 0 | 114 | Y406 P411 | Y406-Q409 PolarHBondContact O-N 2.9Å; Q409-P411 WeakPolarHBondContact O-CD 3.49Å | ||
| 410 | D | 53.2 | Low | 47.7 | Very low | 85 Ų | 85 | 135.2 Ų | 135.2 | 46% | 0.455 | 77% | 0.771 | S | S | . | * | trans | -93 | 110.3 | 178.9 | -163.9 | -17.7 | 0 | 0 | 0 | 111.5 | Q412 | D410-Q412 PolarHBondContact O-N 2.89Å; D410-Q412 PolarHBondContact OD1-N 2.73Å; D410-Q412 VanDerWaalsContact OD1-N 3.12Å | ||
| 411 | P | 53.5 | Low | 47.2 | Very low | 113 Ų | 113 | 133 Ų | 133 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -71.3 | -11.7 | -179.2 | -13.8 | 30.2 | 0 | 0 | 0 | 113.8 | Q409 | Q409-P411 WeakPolarHBondContact O-CD 3.49Š|
| 412 | Q | 57.3 | Low | 46.9 | Very low | 181 Ų | 181 | 132.7 Ų | 132.7 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -88.3 | -2.7 | -179.1 | -74.4 | -178.8 | -48.9 | 0 | 0 | 113.9 | D410 | D410-Q412 PolarHBondContact O-N 2.89Å; D410-Q412 PolarHBondContact OD1-N 2.73Å; D410-Q412 VanDerWaalsContact OD1-N 3.12Å |
| 413 | R | 50.4 | Low | 46.8 | Very low | 218 Ų | 218 | 140.3 Ų | 140.3 | 82% | 0.823 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -96.3 | 13.5 | 174.9 | -151.8 | -177.1 | 178.6 | -140.2 | -0.9 | 113.9 | ||
| 414 | M | 54.3 | Low | 46.4 | Very low | 181 Ų | 181 | 142.5 Ų | 142.5 | 89% | 0.892 | 78% | 0.776 | S | S | * | * | trans | -105.3 | 90.1 | 167.7 | -79.8 | -98.5 | -99 | 0 | 0 | 108.5 | ||||
| 415 | G | 43.1 | Very low | 46 | Very low | 73 Ų | 73 | 140.9 Ų | 140.9 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | trans | -160.4 | 96.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 416 | A | 38.5 | Very low | 45.5 | Very low | 84 Ų | 84 | 146.9 Ų | 146.9 | 69% | 0.694 | 80% | 0.803 | S | S | * | * | trans | 162.1 | 106 | 131.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 417 | H | 37.6 | Very low | 44.9 | Very low | 196 Ų | 196 | 146.4 Ų | 146.4 | 91% | 0.907 | 81% | 0.812 | S | S | * | * | -177.6 | 75 | 126.7 | -83.9 | -56.7 | 0 | 0 | 0 | 107.8 | |||||
| 418 | S | 36.8 | Very low | 44.8 | Very low | 126 Ų | 126 | 148.2 Ų | 148.2 | 88% | 0.881 | 82% | 0.816 | S | S | * | * | trans | -94.6 | 107 | 160.9 | -59.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 419 | A | 36.9 | Very low | 44.2 | Very low | 103 Ų | 103 | 150.7 Ų | 150.7 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | trans | -96.4 | 109.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 420 | H | 36.9 | Very low | 43.7 | Very low | 197 Ų | 197 | 150.9 Ų | 150.9 | 91% | 0.912 | 83% | 0.83 | S | S | * | * | trans | -71.1 | 128.9 | 165.4 | -108.9 | -70 | 0 | 0 | 0 | 109.2 | ||||
| 421 | G | 35.2 | Very low | 43.1 | Very low | 71 Ų | 71 | 155.1 Ų | 155.1 | 73% | 0.732 | 85% | 0.853 | S | S | * | * | trans | -134.7 | 122.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 422 | S | 40.2 | Very low | 42.4 | Very low | 123 Ų | 123 | 157.9 Ų | 157.9 | 86% | 0.86 | 86% | 0.861 | S | S | * | * | trans | -70.2 | 157.3 | -163.7 | -31.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 423 | R | 40.8 | Very low | 41.3 | Very low | 233 Ų | 233 | 156.2 Ų | 156.2 | 88% | 0.879 | 86% | 0.862 | S | S | * | * | trans | -43.2 | 142.8 | 166.7 | -68.8 | 171.6 | 172.6 | 178.3 | -4 | 114 | ||||
| 424 | H | 41.4 | Very low | 40.6 | Very low | 190 Ų | 190 | 151.5 Ų | 151.5 | 88% | 0.88 | 87% | 0.865 | S | S | * | * | trans | -139.9 | 134.5 | 133.3 | -111.3 | -77.3 | 0 | 0 | 0 | 109.9 | ||||
| 425 | T | 44.7 | Very low | 39.4 | Very low | 120 Ų | 120 | 149 Ų | 149 | 74% | 0.736 | 86% | 0.863 | S | S | * | * | trans | -70.7 | 143.1 | 176.2 | 42.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 426 | E | 41.3 | Very low | 39.1 | Very low | 272 Ų | 272 | 155.9 Ų | 155.9 | 100% | 1.271 | 87% | 0.873 | S | S | * | * | -153.1 | 0 | 123.9 | -104.7 | -179.8 | 141.3 | 0 | 0 | 109.2 |
Retrieved 426 of 426 residues in 431 ms
(Link to these results)