| 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 | 43 | Very low | 64.4 | Low | 243 Ų | 243 | 101.1 Ų | 101.1 | 100% | 1.197 | 56% | 0.556 | S | S | * | * | 0 | 112.7 | 0 | -58.5 | -165.6 | -155.5 | 0 | 0 | 106.3 | |||||
| 2 | T | 31.2 | Very low | 66.7 | Low | 140 Ų | 140 | 92.7 Ų | 92.7 | 86% | 0.859 | 51% | 0.51 | S | S | * | . | -149.3 | 130.5 | 82.5 | 44.6 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 3 | A | 34 | Very low | 68.8 | Low | 95 Ų | 95 | 86.3 Ų | 86.3 | 79% | 0.785 | 47% | 0.474 | S | S | * | . | trans | 31.5 | 124.1 | 149.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | S5 | A3-S5 VanDerWaalsContact C-N 3.33Å; A3-S5 PolarHBondContact O-N 3.29Å | ||
| 4 | D | 42 | Very low | 70.6 | Confident | 147 Ų | 147 | 87.6 Ų | 87.6 | 79% | 0.786 | 48% | 0.475 | S | S | * | . | trans | -40 | 89.3 | 149.4 | -79.4 | -38.3 | 0 | 0 | 0 | 111.8 | E6 | D4-E6 PolarHBondContact O-N 2.89Š| ||
| 5 | S | 49.5 | Very low | 72 | Confident | 105 Ų | 105 | 89.3 Ų | 89.3 | 73% | 0.734 | 47% | 0.472 | S | S | * | . | trans | -80.5 | 95 | 156.5 | 73.1 | 0 | 0 | 0 | 0 | 106.3 | A3 I7 | A3-S5 VanDerWaalsContact C-N 3.33Å; A3-S5 PolarHBondContact O-N 3.29Å; S5-I7 PolarHBondContact O-N 2.99Å; S5-I7 VanDerWaalsContact O-N 3.14Å | ||
| 6 | E | 66.4 | Low | 73.3 | Confident | 87 Ų | 87 | 83.8 Ų | 83.8 | 41% | 0.407 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 121.2 | 171.7 | -67.5 | -173.3 | 169.7 | 0 | 0 | 108.9 | D4 E8 K36 | D4-E6 PolarHBondContact O-N 2.89Å; E6-E8 PolarHBondContact O-N 3.36Å; E6-K36 WeakPolarHBondContact OE1-CD 3.24Å; E6-K36 WeakPolarHBondContact OE1-CE 3.23Å; E6-K36 IonicContact OE1-NZ 2.68Å; E6-K36 PolarHBondContact OE1-NZ 3.35Å |
| 7 | I | 81.1 | Confident | 74.5 | Confident | 11 Ų | 11 | 84.5 Ų | 84.5 | 6% | 0.056 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 131.5 | -175 | -166.3 | 169.3 | 0 | 0 | 0 | 109.9 | S5 E11 A12 L26 L30 R33 | S5-I7 PolarHBondContact O-N 2.99Å; S5-I7 VanDerWaalsContact O-N 3.14Å; I7-E11 HydrophobicContact CD1-CG 4.4Å; I7-E11 HydrophobicContact CG1-CB 4.18Å; I7-E11 HydrophobicContact CG1-CG 4.08Å; I7-A12 HydrophobicContact CD1-CB 4.04Å; I7-A12 HydrophobicContact CG1-CB 4.25Å; I7-A12 HydrophobicContact CG2-CB 4.47Å; I7-L26 HydrophobicContact CD1-CD2 3.48Å; I7-L26 VanDerWaalsContact CD1-CD2 3.48Å; I7-L30 HydrophobicContact CG2-CB 4.46Å; I7-L30 HydrophobicContact CG2-CD1 4.45Å; I7-R33 PolarHBondContact O-NH1 3.43Å |
| 8 | E | 87.8 | Confident | 75.4 | Confident | 122 Ų | 122 | 89.9 Ų | 89.9 | 57% | 0.57 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 148.5 | 173.8 | -73.9 | -173.9 | -179.7 | 0 | 0 | 111.6 | E6 K10 E11 A12 R33 | E6-E8 PolarHBondContact O-N 3.36Å; E8-K10 VanDerWaalsContact C-N 3.33Å; E8-K10 PolarHBondContact O-N 3.33Å; E8-E11 HydrophobicContact CB-CB 4.1Å; E8-E11 CarbonylContact O-C 3.6Å; E8-E11 WeakPolarHBondContact O-CA 3.38Å; E8-E11 WeakPolarHBondContact O-CB 3.45Å; E8-E11 PolarHBondContact O-N 3.43Å; E8-A12 WeakPolarHBondContact O-CB 3.48Å; E8-A12 PolarHBondContact O-N 3.33Å; E8-R33 VanDerWaalsContact CA-NH1 3.35Å |
| 9 | L | 90.4 | Very high | 75.5 | Confident | 0 Ų | 0 | 87.8 Ų | 87.8 | 0% | 0 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -61.9 | -44.6 | -177 | -168 | 65.3 | 0 | 0 | 0 | 111.3 | E11 A12 F13 L30 F43 E46 F47 Y50 | L9-E11 VanDerWaalsContact C-N 3.3Å; L9-E11 PolarHBondContact O-N 3.37Å; L9-A12 PolarHBondContact O-N 2.91Å; L9-F13 HydrophobicContact CD1-CD2 4.36Å; L9-F13 HydrophobicContact CD1-CE2 4.06Å; L9-F13 HydrophobicContact CG-CD2 4.37Å; L9-F13 HydrophobicContact CG-CE2 4.29Å; L9-F13 WeakPolarHBondContact O-CD2 3.26Å; L9-F13 PolarHBondContact O-N 2.85Å; L9-L30 HydrophobicContact CD1-CD1 3.78Å; L9-L30 HydrophobicContact CD1-CD2 3.71Å; L9-L30 HydrophobicContact CD1-CG 4.34Å; L9-F43 HydrophobicContact CD1-CE2 4.02Å; L9-F43 HydrophobicContact CD1-CZ 3.88Å; L9-E46 VanDerWaalsContact CD2-C 3.41Å; L9-E46 HydrophobicContact CD2-CB 3.68Å; L9-E46 HydrophobicContact CD2-CG 3.73Å; L9-F47 HydrophobicContact CD1-CD2 3.72Å; L9-F47 HydrophobicContact CD1-CE2 4.36Å; L9-F47 VanDerWaalsContact CD2-CA 3.43Å; L9-F47 HydrophobicContact CD2-CB 3.96Å; L9-Y50 HydrophobicContact CB-CD2 4.41Å; L9-Y50 HydrophobicContact CB-CE2 4.38Å; L9-Y50 HydrophobicContact CD2-CD2 4.08Å; L9-Y50 HydrophobicContact CD2-CE2 4.48Å; L9-Y50 HydrophobicContact CG-CD2 4.05Å; L9-Y50 HydrophobicContact CG-CE2 4.48Å |
| 10 | K | 91.4 | Very high | 75.8 | Confident | 100 Ų | 100 | 93.3 Ų | 93.3 | 44% | 0.435 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -55.2 | -45.6 | 171.2 | -173 | 177.4 | 177.6 | 179.9 | 0 | 112.2 | E8 F13 Q14 Y50 | E8-K10 VanDerWaalsContact C-N 3.33Å; E8-K10 PolarHBondContact O-N 3.33Å; K10-F13 PolarHBondContact O-N 3.3Å; K10-Q14 WeakPolarHBondContact O-CB 3.49Å; K10-Q14 VanDerWaalsContact O-CG 3.29Å; K10-Q14 WeakPolarHBondContact O-CG 3.35Å; K10-Q14 PolarHBondContact O-N 3.22Å; K10-Y50 HydrophobicContact CB-CE1 4.18Å; K10-Y50 HydrophobicContact CB-CE2 3.79Å; K10-Y50 HydrophobicContact CD-CE1 4.4Å; K10-Y50 HydrophobicContact CG-CE1 4.02Å |
| 11 | E | 91.4 | Very high | 76.1 | Confident | 62 Ų | 62 | 91.5 Ų | 91.5 | 29% | 0.29 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.7 | -41.1 | 180 | -177.7 | 173.1 | -153.4 | 0 | 0 | 111.5 | I7 E8 L9 F13 Q14 R15 | I7-E11 HydrophobicContact CD1-CG 4.4Å; I7-E11 HydrophobicContact CG1-CB 4.18Å; I7-E11 HydrophobicContact CG1-CG 4.08Å; E8-E11 HydrophobicContact CB-CB 4.1Å; E8-E11 CarbonylContact O-C 3.6Å; E8-E11 WeakPolarHBondContact O-CA 3.38Å; E8-E11 WeakPolarHBondContact O-CB 3.45Å; E8-E11 PolarHBondContact O-N 3.43Å; L9-E11 VanDerWaalsContact C-N 3.3Å; L9-E11 PolarHBondContact O-N 3.37Å; E11-F13 PolarHBondContact O-N 3.02Å; E11-Q14 PolarHBondContact O-N 3.17Å; E11-R15 HydrophobicContact CG-CG 4.18Å; E11-R15 WeakPolarHBondContact O-CB 3.46Å; E11-R15 VanDerWaalsContact O-CG 3.29Å; E11-R15 WeakPolarHBondContact O-CG 3.49Å; E11-R15 PolarHBondContact O-N 3.23Å; E11-R15 IonicContact OE1-CZ 2.94Å; E11-R15 IonicContact OE1-NE 3.66Å; E11-R15 PolarHBondContact OE1-NE 2.9Å; E11-R15 IonicContact OE1-NH2 2.66Å; E11-R15 PolarHBondContact OE1-NH2 2.92Å; E11-R15 IonicContact OE2-NH2 3.86Å |
| 12 | A | 92.3 | Very high | 78.2 | Confident | 0 Ų | 0 | 84.2 Ų | 84.2 | 0% | 0 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -59.4 | -46.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | I7 E8 L9 R15 A16 L30 F70 | I7-A12 HydrophobicContact CD1-CB 4.04Å; I7-A12 HydrophobicContact CG1-CB 4.25Å; I7-A12 HydrophobicContact CG2-CB 4.47Å; E8-A12 WeakPolarHBondContact O-CB 3.48Å; E8-A12 PolarHBondContact O-N 3.33Å; L9-A12 PolarHBondContact O-N 2.91Å; A12-R15 PolarHBondContact O-N 3.5Å; A12-A16 WeakPolarHBondContact O-CB 3.46Å; A12-A16 PolarHBondContact O-N 3.09Å; A12-L30 HydrophobicContact CB-CD2 4.39Å; A12-F70 HydrophobicContact CB-CZ 4.09Å |
| 13 | F | 94.2 | Very high | 80.8 | Confident | 10 Ų | 10 | 79.1 Ų | 79.1 | 4% | 0.044 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 176 | -88 | -108.4 | 0 | 0 | 0 | 112.6 | L9 K10 E11 A16 Q17 F47 L51 V67 F70 V71 | L9-F13 HydrophobicContact CD1-CD2 4.36Å; L9-F13 HydrophobicContact CD1-CE2 4.06Å; L9-F13 HydrophobicContact CG-CD2 4.37Å; L9-F13 HydrophobicContact CG-CE2 4.29Å; L9-F13 WeakPolarHBondContact O-CD2 3.26Å; L9-F13 PolarHBondContact O-N 2.85Å; K10-F13 PolarHBondContact O-N 3.3Å; E11-F13 PolarHBondContact O-N 3.02Å; F13-A16 PolarHBondContact O-N 3.28Å; F13-Q17 WeakPolarHBondContact O-CG 3.39Å; F13-Q17 PolarHBondContact O-N 2.7Å; F13-F47 HydrophobicContact CE2-CD2 4.05Å; F13-F47 AromaticContact CE2-CE2 3.86Å; F13-F47 HydrophobicContact CE2-CE2 3.86Å; F13-F47 HydrophobicContact CE2-CG 4.49Å; F13-F47 HydrophobicContact CE2-CZ 4.18Å; F13-F47 HydrophobicContact CZ-CD1 4.34Å; F13-F47 HydrophobicContact CZ-CD2 4.34Å; F13-F47 HydrophobicContact CZ-CE1 4.07Å; F13-F47 HydrophobicContact CZ-CE2 4.05Å; F13-F47 HydrophobicContact CZ-CG 4.45Å; F13-F47 AromaticContact CZ-CZ 3.9Å; F13-F47 HydrophobicContact CZ-CZ 3.9Å; F13-L51 HydrophobicContact CE1-CB 4.3Å; F13-L51 HydrophobicContact CZ-CB 4.47Å; F13-V67 HydrophobicContact CD1-CG1 3.67Å; F13-V67 HydrophobicContact CE1-CG1 3.81Å; F13-F70 HydrophobicContact CD2-CE1 4.09Å; F13-F70 HydrophobicContact CE2-CE1 4.11Å; F13-V71 HydrophobicContact CE1-CG2 3.87Å; F13-V71 HydrophobicContact CZ-CG2 3.81Å |
| 14 | Q | 93.2 | Very high | 83.3 | Confident | 105 Ų | 105 | 77.8 Ų | 77.8 | 49% | 0.491 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64 | -43.3 | 176.4 | -75.5 | 178.6 | -7.5 | 0 | 0 | 112.2 | K10 E11 A16 Q17 | K10-Q14 WeakPolarHBondContact O-CB 3.49Å; K10-Q14 VanDerWaalsContact O-CG 3.29Å; K10-Q14 WeakPolarHBondContact O-CG 3.35Å; K10-Q14 PolarHBondContact O-N 3.22Å; E11-Q14 PolarHBondContact O-N 3.17Å; Q14-A16 VanDerWaalsContact C-N 3.34Å; Q14-Q17 PolarHBondContact O-N 3.41Å |
| 15 | R | 92.8 | Very high | 85.5 | Confident | 113 Ų | 113 | 77.7 Ų | 77.7 | 43% | 0.426 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.5 | -36.3 | 176 | -70.7 | -176.5 | -175 | -164.8 | 0.7 | 110.9 | E11 A12 Q17 R18 N21 L26 | E11-R15 HydrophobicContact CG-CG 4.18Å; E11-R15 WeakPolarHBondContact O-CB 3.46Å; E11-R15 VanDerWaalsContact O-CG 3.29Å; E11-R15 WeakPolarHBondContact O-CG 3.49Å; E11-R15 PolarHBondContact O-N 3.23Å; E11-R15 IonicContact OE1-CZ 2.94Å; E11-R15 IonicContact OE1-NE 3.66Å; E11-R15 PolarHBondContact OE1-NE 2.9Å; E11-R15 IonicContact OE1-NH2 2.66Å; E11-R15 PolarHBondContact OE1-NH2 2.92Å; E11-R15 IonicContact OE2-NH2 3.86Å; A12-R15 PolarHBondContact O-N 3.5Å; R15-Q17 PolarHBondContact O-N 3.42Å; R15-R18 PolarHBondContact O-N 2.93Å; R15-N21 PolarHBondContact O-ND2 3.18Å; R15-L26 HydrophobicContact CB-CD1 4.06Å; R15-L26 HydrophobicContact CB-CD2 4.02Å |
| 16 | A | 92.9 | Very high | 87.5 | Confident | 1 Ų | 1 | 73.3 Ų | 73.3 | 1% | 0.008 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.1 | -27.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A12 F13 Q14 R18 L26 N66 V67 F70 | A12-A16 WeakPolarHBondContact O-CB 3.46Å; A12-A16 PolarHBondContact O-N 3.09Å; F13-A16 PolarHBondContact O-N 3.28Å; Q14-A16 VanDerWaalsContact C-N 3.34Å; A16-R18 PolarHBondContact O-N 3.07Å; A16-L26 HydrophobicContact CB-CD1 4.32Å; A16-N66 VanDerWaalsContact O-CB 3.23Å; A16-N66 WeakPolarHBondContact O-CB 3.26Å; A16-V67 HydrophobicContact CB-CG2 4.46Å; A16-F70 HydrophobicContact CB-CB 3.72Å; A16-F70 HydrophobicContact CB-CD1 3.68Å; A16-F70 HydrophobicContact CB-CD2 4.22Å; A16-F70 HydrophobicContact CB-CE1 4.38Å; A16-F70 HydrophobicContact CB-CG 3.59Å |
| 17 | Q | 93.1 | Very high | 88.7 | Confident | 96 Ų | 96 | 69.9 Ų | 69.9 | 45% | 0.449 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -30 | 176.5 | -69.2 | 175.8 | 36.5 | 0 | 0 | 113.1 | F13 Q14 R15 A63 N66 V67 | F13-Q17 WeakPolarHBondContact O-CG 3.39Å; F13-Q17 PolarHBondContact O-N 2.7Å; Q14-Q17 PolarHBondContact O-N 3.41Å; R15-Q17 PolarHBondContact O-N 3.42Å; Q17-A63 HydrophobicContact CB-CB 4.14Å; Q17-A63 HydrophobicContact CG-CB 4.42Å; Q17-N66 PolarHBondContact O-ND2 3.48Å; Q17-N66 VanDerWaalsContact O-ND2 3.15Å; Q17-V67 HydrophobicContact CB-CG2 4.43Å; Q17-V67 HydrophobicContact CG-CG2 3.48Å; Q17-V67 VanDerWaalsContact CG-CG2 3.48Å |
| 18 | R | 90.3 | Very high | 89.1 | Confident | 181 Ų | 181 | 72.1 Ų | 72.1 | 68% | 0.683 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -83.5 | 120.6 | -176.9 | -58.7 | -177.1 | -176.3 | 178.7 | 1.2 | 110.6 | R15 A16 H20 N21 | R15-R18 PolarHBondContact O-N 2.93Å; A16-R18 PolarHBondContact O-N 3.07Å; R18-H20 VanDerWaalsContact C-N 3.26Å; R18-H20 PolarHBondContact O-N 3.07Å; R18-N21 PolarHBondContact O-N 3.05Å |
| 19 | G | 78.3 | Confident | 89.1 | Confident | 50 Ų | 50 | 69.1 Ų | 69.1 | 52% | 0.515 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -25 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | N66 | G19-N66 WeakPolarHBondContact CA-ND2 3.46Å; G19-N66 PolarHBondContact N-ND2 2.9Å |
| 20 | H | 81.1 | Confident | 89.2 | Confident | 198 Ų | 198 | 69.1 Ų | 69.1 | 92% | 0.917 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -8.6 | -179.6 | -58.2 | -63.8 | 0 | 0 | 0 | 114.3 | R18 | R18-H20 VanDerWaalsContact C-N 3.26Å; R18-H20 PolarHBondContact O-N 3.07Å |
| 21 | N | 82.4 | Confident | 89.1 | Confident | 55 Ų | 55 | 67.3 Ų | 67.3 | 29% | 0.294 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -76.3 | 138.2 | 178.9 | -80.8 | -19 | 0 | 0 | 0 | 111 | R15 R18 K23 L26 | R15-N21 PolarHBondContact O-ND2 3.18Å; R18-N21 PolarHBondContact O-N 3.05Å; N21-K23 PolarHBondContact O-N 3.24Å; N21-L26 HydrophobicContact CB-CD1 4.49Å |
| 22 | N | 85.9 | Confident | 89 | Confident | 90 Ų | 90 | 67.1 Ų | 67.1 | 48% | 0.481 | 35% | 0.351 | S | S | . | . | trans | -71.6 | 99.8 | 178 | -173.8 | -29.8 | 0 | 0 | 0 | 110.2 | A24 K25 L26 | N22-A24 VanDerWaalsContact C-N 3.27Å; N22-A24 PolarHBondContact O-N 3.49Å; N22-A24 WeakPolarHBondContact OD1-CB 3.47Å; N22-A24 PolarHBondContact OD1-N 3.33Å; N22-K25 HydrophobicContact CB-CB 4.35Å; N22-K25 HydrophobicContact CB-CD 4.28Å; N22-K25 HydrophobicContact CB-CG 4.23Å; N22-K25 PolarHBondContact O-N 2.66Å; N22-K25 PolarHBondContact OD1-N 2.98Å; N22-L26 PolarHBondContact O-N 3.43Å | ||
| 23 | K | 85.9 | Confident | 88.8 | Confident | 34 Ų | 34 | 69.5 Ų | 69.5 | 15% | 0.148 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.9 | -32.9 | 180 | -65 | 177.3 | -175.6 | 169.9 | 0 | 112.7 | N21 K25 L26 V27 N66 E69 | N21-K23 PolarHBondContact O-N 3.24Å; K23-K25 VanDerWaalsContact C-N 3.35Å; K23-K25 PolarHBondContact O-N 2.91Å; K23-L26 PolarHBondContact O-N 3.16Å; K23-V27 WeakPolarHBondContact O-CB 3.36Å; K23-V27 VanDerWaalsContact O-CG2 3.28Å; K23-V27 WeakPolarHBondContact O-CG2 3.28Å; K23-V27 PolarHBondContact O-N 3.11Å; K23-N66 PolarHBondContact NZ-OD1 3.44Å; K23-E69 HydrophobicContact CD-CG 4.41Å |
| 24 | A | 87.3 | Confident | 88.6 | Confident | 66 Ų | 66 | 69.2 Ų | 69.2 | 55% | 0.545 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.6 | -38.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | N22 V27 A28 | N22-A24 VanDerWaalsContact C-N 3.27Å; N22-A24 PolarHBondContact O-N 3.49Å; N22-A24 WeakPolarHBondContact OD1-CB 3.47Å; N22-A24 PolarHBondContact OD1-N 3.33Å; A24-V27 PolarHBondContact O-N 2.91Å; A24-A28 WeakPolarHBondContact O-CB 3.29Å; A24-A28 PolarHBondContact O-N 3.04Å |
| 25 | K | 89.1 | Confident | 88.3 | Confident | 146 Ų | 146 | 68.4 Ų | 68.4 | 64% | 0.635 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64.1 | -43.6 | 172.8 | -70.2 | -173.2 | 177.1 | -173.7 | 0 | 111.9 | N22 K23 V27 A28 S29 | N22-K25 HydrophobicContact CB-CB 4.35Å; N22-K25 HydrophobicContact CB-CD 4.28Å; N22-K25 HydrophobicContact CB-CG 4.23Å; N22-K25 PolarHBondContact O-N 2.66Å; N22-K25 PolarHBondContact OD1-N 2.98Å; K23-K25 VanDerWaalsContact C-N 3.35Å; K23-K25 PolarHBondContact O-N 2.91Å; K25-V27 VanDerWaalsContact C-N 3.35Å; K25-A28 PolarHBondContact O-N 3.02Å; K25-S29 WeakPolarHBondContact O-CB 3.41Å; K25-S29 PolarHBondContact O-N 3.12Å; K25-S29 PolarHBondContact O-OG 3.39Å; K25-S29 VanDerWaalsContact O-OG 3.13Å |
| 26 | L | 90.3 | Very high | 88.1 | Confident | 13 Ų | 13 | 68.4 Ų | 68.4 | 7% | 0.068 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.4 | -44 | 176.7 | -65.1 | 175.2 | 0 | 0 | 0 | 111.6 | I7 R15 A16 N21 N22 K23 L30 F70 | I7-L26 HydrophobicContact CD1-CD2 3.48Å; I7-L26 VanDerWaalsContact CD1-CD2 3.48Å; R15-L26 HydrophobicContact CB-CD1 4.06Å; R15-L26 HydrophobicContact CB-CD2 4.02Å; A16-L26 HydrophobicContact CB-CD1 4.32Å; N21-L26 HydrophobicContact CB-CD1 4.49Å; N22-L26 PolarHBondContact O-N 3.43Å; K23-L26 PolarHBondContact O-N 3.16Å; L26-L30 VanDerWaalsContact O-CB 3.3Å; L26-L30 WeakPolarHBondContact O-CB 3.45Å; L26-L30 PolarHBondContact O-N 3.35Å; L26-F70 HydrophobicContact CB-CD2 4.26Å; L26-F70 HydrophobicContact CB-CE2 3.74Å |
| 27 | V | 91.7 | Very high | 87.8 | Confident | 14 Ų | 14 | 71 Ų | 71 | 9% | 0.085 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.3 | -49.6 | 176 | 167.7 | 0 | 0 | 0 | 0 | 110.6 | K23 A24 K25 S29 L30 K31 F70 K73 F74 | K23-V27 WeakPolarHBondContact O-CB 3.36Å; K23-V27 VanDerWaalsContact O-CG2 3.28Å; K23-V27 WeakPolarHBondContact O-CG2 3.28Å; K23-V27 PolarHBondContact O-N 3.11Å; A24-V27 PolarHBondContact O-N 2.91Å; K25-V27 VanDerWaalsContact C-N 3.35Å; V27-S29 PolarHBondContact O-N 3.29Å; V27-L30 PolarHBondContact O-N 3.09Å; V27-K31 WeakPolarHBondContact O-CB 3.17Å; V27-K31 PolarHBondContact O-N 3.04Å; V27-F70 HydrophobicContact CG2-CD2 3.94Å; V27-F70 HydrophobicContact CG2-CE2 3.91Å; V27-K73 HydrophobicContact CG2-CB 4.07Å; V27-F74 HydrophobicContact CG1-CD2 4.37Å; V27-F74 HydrophobicContact CG2-CB 4.16Å |
| 28 | A | 89.4 | Confident | 87.3 | Confident | 58 Ų | 58 | 76 Ų | 76 | 48% | 0.479 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.8 | -44.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A24 K25 K31 S32 | A24-A28 WeakPolarHBondContact O-CB 3.29Å; A24-A28 PolarHBondContact O-N 3.04Å; K25-A28 PolarHBondContact O-N 3.02Å; A28-K31 PolarHBondContact O-N 3.45Å; A28-S32 WeakPolarHBondContact O-CB 3.43Å; A28-S32 PolarHBondContact O-N 3.03Å |
| 29 | S | 89 | Confident | 87.1 | Confident | 60 Ų | 60 | 71.8 Ų | 71.8 | 42% | 0.42 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 176.8 | -64.9 | 0 | 0 | 0 | 0 | 112 | K25 V27 R33 | K25-S29 WeakPolarHBondContact O-CB 3.41Å; K25-S29 PolarHBondContact O-N 3.12Å; K25-S29 PolarHBondContact O-OG 3.39Å; K25-S29 VanDerWaalsContact O-OG 3.13Å; V27-S29 PolarHBondContact O-N 3.29Å; S29-R33 PolarHBondContact O-N 3.33Å; S29-R33 VanDerWaalsContact O-N 3.16Å |
| 30 | L | 91.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -71.5 | -32.9 | 178.9 | -167.9 | 64.6 | 0 | 0 | 0 | 111.9 | I7 L9 A12 L26 V27 R33 Y34 F43 F47 F70 F74 | I7-L30 HydrophobicContact CG2-CB 4.46Å; I7-L30 HydrophobicContact CG2-CD1 4.45Å; L9-L30 HydrophobicContact CD1-CD1 3.78Å; L9-L30 HydrophobicContact CD1-CD2 3.71Å; L9-L30 HydrophobicContact CD1-CG 4.34Å; A12-L30 HydrophobicContact CB-CD2 4.39Å; L26-L30 VanDerWaalsContact O-CB 3.3Å; L26-L30 WeakPolarHBondContact O-CB 3.45Å; L26-L30 PolarHBondContact O-N 3.35Å; V27-L30 PolarHBondContact O-N 3.09Å; L30-R33 PolarHBondContact O-N 3.45Å; L30-Y34 WeakPolarHBondContact O-CB 3.49Å; L30-Y34 PolarHBondContact O-N 2.95Å; L30-F43 HydrophobicContact CD1-CE2 3.84Å; L30-F43 HydrophobicContact CD1-CZ 3.94Å; L30-F43 HydrophobicContact CD2-CZ 4.24Å; L30-F43 HydrophobicContact CG-CE2 4.35Å; L30-F43 HydrophobicContact CG-CZ 3.96Å; L30-F47 HydrophobicContact CD2-CE2 4.35Å; L30-F70 HydrophobicContact CD2-CE1 4.41Å; L30-F70 HydrophobicContact CD2-CZ 3.78Å; L30-F74 HydrophobicContact CB-CD2 4.11Å; L30-F74 HydrophobicContact CB-CE2 3.75Å; L30-F74 HydrophobicContact CB-CZ 4.5Å; L30-F74 HydrophobicContact CD2-CD1 4.41Å; L30-F74 HydrophobicContact CD2-CD2 3.93Å; L30-F74 HydrophobicContact CD2-CE1 4.25Å; L30-F74 HydrophobicContact CD2-CE2 3.77Å; L30-F74 HydrophobicContact CD2-CG 4.25Å; L30-F74 HydrophobicContact CD2-CZ 3.92Å; L30-F74 HydrophobicContact CG-CD2 4.18Å; L30-F74 HydrophobicContact CG-CE2 3.6Å; L30-F74 HydrophobicContact CG-CZ 3.87Å |
| 31 | K | 90.1 | Very high | 88 | Confident | 61 Ų | 61 | 66 Ų | 66 | 27% | 0.265 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.4 | -45.3 | 175.6 | -176.5 | 178.2 | -176 | -174.8 | 0 | 110.5 | V27 A28 R33 Y34 N35 F74 S77 F78 | V27-K31 WeakPolarHBondContact O-CB 3.17Å; V27-K31 PolarHBondContact O-N 3.04Å; A28-K31 PolarHBondContact O-N 3.45Å; K31-R33 PolarHBondContact O-N 3.01Å; K31-Y34 PolarHBondContact O-N 3.46Å; K31-N35 VanDerWaalsContact O-CG 3.31Å; K31-N35 PolarHBondContact O-N 3.43Å; K31-N35 PolarHBondContact O-OD1 3.01Å; K31-F74 HydrophobicContact CB-CE2 4.31Å; K31-S77 WeakPolarHBondContact CE-O 3.34Å; K31-S77 PolarHBondContact NZ-O 2.99Å; K31-F78 HydrophobicContact CB-CE1 4.48Å; K31-F78 HydrophobicContact CD-CD1 4.32Å; K31-F78 HydrophobicContact CD-CE1 4.26Å; K31-F78 HydrophobicContact CG-CD1 4.14Å; K31-F78 HydrophobicContact CG-CE1 3.6Å; K31-F78 HydrophobicContact CG-CZ 4.1Å |
| 32 | S | 88.8 | Confident | 88.3 | Confident | 59 Ų | 59 | 69 Ų | 69 | 41% | 0.413 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -57.2 | -47.6 | 174.4 | 179.7 | 0 | 0 | 0 | 0 | 111.6 | A28 N35 K36 | A28-S32 WeakPolarHBondContact O-CB 3.43Å; A28-S32 PolarHBondContact O-N 3.03Å; S32-N35 PolarHBondContact O-N 3.29Å; S32-K36 WeakPolarHBondContact O-CG 3.47Å; S32-K36 PolarHBondContact O-N 2.87Å |
| 33 | R | 88.9 | Confident | 88.7 | Confident | 50 Ų | 50 | 65 Ų | 65 | 19% | 0.189 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.4 | -47.5 | 174.1 | 176.6 | 177.3 | 168.6 | 158.3 | -0.1 | 112 | I7 E8 S29 L30 K31 N35 K36 L37 | I7-R33 PolarHBondContact O-NH1 3.43Å; E8-R33 VanDerWaalsContact CA-NH1 3.35Å; S29-R33 PolarHBondContact O-N 3.33Å; S29-R33 VanDerWaalsContact O-N 3.16Å; L30-R33 PolarHBondContact O-N 3.45Å; K31-R33 PolarHBondContact O-N 3.01Å; R33-N35 VanDerWaalsContact C-N 3.29Å; R33-N35 PolarHBondContact O-N 3.14Å; R33-K36 PolarHBondContact O-N 3.03Å; R33-L37 PolarHBondContact O-N 3.24Å |
| 34 | Y | 89.9 | Confident | 89.1 | Confident | 3 Ų | 3 | 64.5 Ų | 64.5 | 1% | 0.012 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -55.8 | -47.4 | 179.1 | 180 | -96 | 0 | 0 | 0 | 110.6 | L30 K31 K36 L37 K40 F43 H44 F78 H103 F105 | L30-Y34 WeakPolarHBondContact O-CB 3.49Å; L30-Y34 PolarHBondContact O-N 2.95Å; K31-Y34 PolarHBondContact O-N 3.46Å; Y34-K36 VanDerWaalsContact C-N 3.31Å; Y34-K36 PolarHBondContact O-N 3.04Å; Y34-L37 PolarHBondContact O-N 3.05Å; Y34-K40 HydrophobicContact CD2-CD 4.4Å; Y34-K40 HydrophobicContact CE1-CD 4.26Å; Y34-K40 HydrophobicContact CE2-CB 4.09Å; Y34-K40 HydrophobicContact CE2-CD 3.93Å; Y34-K40 HydrophobicContact CE2-CG 4.21Å; Y34-K40 PolarHBondContact O-NZ 3.31Å; Y34-F43 AromaticContact CD2-CD1 3.46Å; Y34-F43 HydrophobicContact CD2-CD1 3.46Å; Y34-F43 VanDerWaalsContact CD2-CD1 3.46Å; Y34-F43 HydrophobicContact CD2-CD2 4.42Å; Y34-F43 AromaticContact CD2-CE1 3.49Å; Y34-F43 HydrophobicContact CD2-CE1 3.49Å; Y34-F43 VanDerWaalsContact CD2-CE1 3.49Å; Y34-F43 HydrophobicContact CD2-CE2 4.43Å; Y34-F43 AromaticContact CD2-CG 3.95Å; Y34-F43 HydrophobicContact CD2-CG 3.95Å; Y34-F43 AromaticContact CD2-CZ 4Å; Y34-F43 HydrophobicContact CD2-CZ 4Å; Y34-F43 AromaticContact CE2-CD1 3.79Å; Y34-F43 HydrophobicContact CE2-CD1 3.79Å; Y34-F43 HydrophobicContact CE2-CE1 4.12Å; Y34-F43 HydrophobicContact CE2-CG 4.43Å; Y34-F43 HydrophobicContact CG-CE1 4.42Å; Y34-H44 AromaticContact CE2-NE2 3.75Å; Y34-H44 AromaticContact CZ-NE2 3.89Å; Y34-H44 PolarHBondContact OH-NE2 3.24Å; Y34-F78 HydrophobicContact CD1-CD1 4.49Å; Y34-F78 AromaticContact CD1-CE1 3.45Å; Y34-F78 HydrophobicContact CD1-CE1 3.45Å; Y34-F78 VanDerWaalsContact CD1-CE1 3.45Å; Y34-F78 AromaticContact CD1-CZ 3.56Å; Y34-F78 HydrophobicContact CD1-CZ 3.56Å; Y34-F78 HydrophobicContact CE1-CE1 4.04Å; Y34-F78 HydrophobicContact CE1-CZ 4.17Å; Y34-F78 HydrophobicContact CG-CE1 4.2Å; Y34-F78 AromaticContact CG-CZ 3.9Å; Y34-F78 HydrophobicContact CG-CZ 3.9Å; Y34-H103 AromaticContact CE1-CE1 3.31Å; Y34-H103 WeakPolarHBondContact CE1-CE1 3.31Å; Y34-H103 AromaticContact CE1-NE2 3.7Å; Y34-F105 HydrophobicContact CD2-CD2 4.36Å; Y34-F105 HydrophobicContact CE1-CB 4.31Å; Y34-F105 HydrophobicContact CE2-CB 4.44Å; Y34-F105 AromaticContact CE2-CD2 3.8Å; Y34-F105 HydrophobicContact CE2-CD2 3.8Å |
| 35 | N | 87.1 | Confident | 89.4 | Confident | 89 Ų | 89 | 67.7 Ų | 67.7 | 48% | 0.476 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.5 | -34.5 | -178.7 | -71.3 | 2 | 0 | 0 | 0 | 113 | K31 S32 R33 L37 K40 | K31-N35 VanDerWaalsContact O-CG 3.31Å; K31-N35 PolarHBondContact O-N 3.43Å; K31-N35 PolarHBondContact O-OD1 3.01Å; S32-N35 PolarHBondContact O-N 3.29Å; R33-N35 VanDerWaalsContact C-N 3.29Å; R33-N35 PolarHBondContact O-N 3.14Å; N35-L37 VanDerWaalsContact C-N 3.35Å; N35-L37 PolarHBondContact O-N 3.03Å; N35-K40 PolarHBondContact O-NZ 3.34Å; N35-K40 VanDerWaalsContact O-NZ 3.15Å |
| 36 | K | 87.6 | Confident | 89.6 | Confident | 112 Ų | 112 | 64 Ų | 64 | 49% | 0.487 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -72.6 | -18.6 | 179.7 | -70.6 | 175.6 | -175.5 | -172.8 | 0 | 115.3 | E6 S32 R33 Y34 | E6-K36 WeakPolarHBondContact OE1-CD 3.24Å; E6-K36 WeakPolarHBondContact OE1-CE 3.23Å; E6-K36 IonicContact OE1-NZ 2.68Å; E6-K36 PolarHBondContact OE1-NZ 3.35Å; S32-K36 WeakPolarHBondContact O-CG 3.47Å; S32-K36 PolarHBondContact O-N 2.87Å; R33-K36 PolarHBondContact O-N 3.03Å; Y34-K36 VanDerWaalsContact C-N 3.31Å; Y34-K36 PolarHBondContact O-N 3.04Å |
| 37 | L | 87.1 | Confident | 89.9 | Confident | 56 Ų | 56 | 63.4 Ų | 63.4 | 29% | 0.293 | 33% | 0.33 | S | S | . | . | trans | -74.4 | 130.7 | -178.1 | -68.5 | 170.9 | 0 | 0 | 0 | 111.1 | R33 Y34 N35 K40 F43 | R33-L37 PolarHBondContact O-N 3.24Å; Y34-L37 PolarHBondContact O-N 3.05Å; N35-L37 VanDerWaalsContact C-N 3.35Å; N35-L37 PolarHBondContact O-N 3.03Å; L37-K40 HydrophobicContact CB-CD 3.93Å; L37-K40 WeakPolarHBondContact O-CD 3.36Å; L37-K40 WeakPolarHBondContact O-CE 3.45Å; L37-K40 PolarHBondContact O-NZ 3.47Å; L37-F43 HydrophobicContact CD1-CB 3.76Å; L37-F43 HydrophobicContact CD1-CD2 3.69Å; L37-F43 HydrophobicContact CD1-CG 4.01Å | ||
| 38 | E | 82.1 | Confident | 90.1 | Very high | 201 Ų | 201 | 63.2 Ų | 63.2 | 94% | 0.939 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -74.2 | -48.9 | 172 | -67.2 | 178.8 | 179.9 | 0 | 0 | 110.7 | ||
| 39 | D | 86.9 | Confident | 90.4 | Very high | 92 Ų | 92 | 64.8 Ų | 64.8 | 49% | 0.492 | 33% | 0.326 | S | S | . | . | trans | -95.9 | 117.5 | 172.9 | -177.3 | 4.1 | 0 | 0 | 0 | 111 | T41 | D39-T41 WeakPolarHBondContact OD1-CB 3.5Å; D39-T41 WeakPolarHBondContact OD1-CG2 3.23Å; D39-T41 PolarHBondContact OD1-N 3Å; D39-T41 PolarHBondContact OD1-OG1 2.98Å; D39-T41 PolarHBondContact OD2-OG1 2.76Å; D39-T41 VanDerWaalsContact OD2-OG1 3.06Å | ||
| 40 | K | 89.3 | Confident | 90.8 | Very high | 52 Ų | 52 | 64.3 Ų | 64.3 | 23% | 0.226 | 32% | 0.316 | C | S | . | . | trans | -90.5 | -10.8 | -179.5 | -47.3 | -59.6 | -170 | -175.7 | 0 | 113.4 | Y34 N35 L37 F43 H44 | Y34-K40 HydrophobicContact CD2-CD 4.4Å; Y34-K40 HydrophobicContact CE1-CD 4.26Å; Y34-K40 HydrophobicContact CE2-CB 4.09Å; Y34-K40 HydrophobicContact CE2-CD 3.93Å; Y34-K40 HydrophobicContact CE2-CG 4.21Å; Y34-K40 PolarHBondContact O-NZ 3.31Å; N35-K40 PolarHBondContact O-NZ 3.34Å; N35-K40 VanDerWaalsContact O-NZ 3.15Å; L37-K40 HydrophobicContact CB-CD 3.93Å; L37-K40 WeakPolarHBondContact O-CD 3.36Å; L37-K40 WeakPolarHBondContact O-CE 3.45Å; L37-K40 PolarHBondContact O-NZ 3.47Å; K40-F43 WeakPolarHBondContact O-CB 3.35Å; K40-F43 PolarHBondContact O-N 2.98Å; K40-H44 VanDerWaalsContact O-CG 3.31Å; K40-H44 PolarHBondContact O-N 3.02Å | ||
| 41 | T | 88.8 | Confident | 91.1 | Very high | 75 Ų | 75 | 64.3 Ų | 64.3 | 46% | 0.46 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.3 | -48.6 | -171.5 | 58.2 | 0 | 0 | 0 | 0 | 112.4 | D39 F43 H44 E45 | D39-T41 WeakPolarHBondContact OD1-CB 3.5Å; D39-T41 WeakPolarHBondContact OD1-CG2 3.23Å; D39-T41 PolarHBondContact OD1-N 3Å; D39-T41 PolarHBondContact OD1-OG1 2.98Å; D39-T41 PolarHBondContact OD2-OG1 2.76Å; D39-T41 VanDerWaalsContact OD2-OG1 3.06Å; T41-F43 VanDerWaalsContact C-N 3.28Å; T41-F43 PolarHBondContact O-N 3.25Å; T41-H44 WeakPolarHBondContact O-CB 3.35Å; T41-H44 PolarHBondContact O-N 3.42Å; T41-H44 VanDerWaalsContact O-N 3.15Å; T41-E45 PolarHBondContact O-N 3.4Å |
| 42 | L | 88.9 | Confident | 91.4 | Very high | 119 Ų | 119 | 66.6 Ų | 66.6 | 62% | 0.623 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -60.9 | -38.1 | 176.9 | -70.6 | 174 | 0 | 0 | 0 | 112 | E46 | L42-E46 VanDerWaalsContact O-CB 3.31Å; L42-E46 WeakPolarHBondContact O-CB 3.5Å; L42-E46 PolarHBondContact O-N 3Å |
| 43 | F | 93.1 | Very high | 91.8 | Very high | 4 Ų | 4 | 70.8 Ų | 70.8 | 2% | 0.018 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.6 | -44.5 | 176 | -176.4 | -81.7 | 0 | 0 | 0 | 111.3 | L9 L30 Y34 L37 K40 T41 E46 F47 F74 F105 | L9-F43 HydrophobicContact CD1-CE2 4.02Å; L9-F43 HydrophobicContact CD1-CZ 3.88Å; L30-F43 HydrophobicContact CD1-CE2 3.84Å; L30-F43 HydrophobicContact CD1-CZ 3.94Å; L30-F43 HydrophobicContact CD2-CZ 4.24Å; L30-F43 HydrophobicContact CG-CE2 4.35Å; L30-F43 HydrophobicContact CG-CZ 3.96Å; Y34-F43 AromaticContact CD2-CD1 3.46Å; Y34-F43 HydrophobicContact CD2-CD1 3.46Å; Y34-F43 VanDerWaalsContact CD2-CD1 3.46Å; Y34-F43 HydrophobicContact CD2-CD2 4.42Å; Y34-F43 AromaticContact CD2-CE1 3.49Å; Y34-F43 HydrophobicContact CD2-CE1 3.49Å; Y34-F43 VanDerWaalsContact CD2-CE1 3.49Å; Y34-F43 HydrophobicContact CD2-CE2 4.43Å; Y34-F43 AromaticContact CD2-CG 3.95Å; Y34-F43 HydrophobicContact CD2-CG 3.95Å; Y34-F43 AromaticContact CD2-CZ 4Å; Y34-F43 HydrophobicContact CD2-CZ 4Å; Y34-F43 AromaticContact CE2-CD1 3.79Å; Y34-F43 HydrophobicContact CE2-CD1 3.79Å; Y34-F43 HydrophobicContact CE2-CE1 4.12Å; Y34-F43 HydrophobicContact CE2-CG 4.43Å; Y34-F43 HydrophobicContact CG-CE1 4.42Å; L37-F43 HydrophobicContact CD1-CB 3.76Å; L37-F43 HydrophobicContact CD1-CD2 3.69Å; L37-F43 HydrophobicContact CD1-CG 4.01Å; K40-F43 WeakPolarHBondContact O-CB 3.35Å; K40-F43 PolarHBondContact O-N 2.98Å; T41-F43 VanDerWaalsContact C-N 3.28Å; T41-F43 PolarHBondContact O-N 3.25Å; F43-E46 PolarHBondContact O-N 3.38Å; F43-F47 HydrophobicContact CE1-CB 4.43Å; F43-F47 AromaticContact CE1-CD2 3.9Å; F43-F47 HydrophobicContact CE1-CD2 3.9Å; F43-F47 HydrophobicContact CZ-CD2 4.25Å; F43-F47 WeakPolarHBondContact O-CB 3.45Å; F43-F47 PolarHBondContact O-N 3.23Å; F43-F74 HydrophobicContact CE1-CE1 4.04Å; F43-F74 HydrophobicContact CE1-CZ 4.06Å; F43-F74 HydrophobicContact CZ-CE1 4.17Å; F43-F74 AromaticContact CZ-CZ 3.85Å; F43-F74 HydrophobicContact CZ-CZ 3.85Å; F43-F105 HydrophobicContact CD1-CE2 4.23Å; F43-F105 HydrophobicContact CE1-CD2 4.34Å; F43-F105 AromaticContact CE1-CE2 3.82Å; F43-F105 HydrophobicContact CE1-CE2 3.82Å |
| 44 | H | 94.4 | Very high | 92.1 | Very high | 25 Ų | 25 | 68.7 Ų | 68.7 | 12% | 0.116 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.4 | -47.8 | 176.6 | -74.6 | 175.2 | 0 | 0 | 0 | 111.9 | Y34 K40 T41 F47 V48 F105 F108 | Y34-H44 AromaticContact CE2-NE2 3.75Å; Y34-H44 AromaticContact CZ-NE2 3.89Å; Y34-H44 PolarHBondContact OH-NE2 3.24Å; K40-H44 VanDerWaalsContact O-CG 3.31Å; K40-H44 PolarHBondContact O-N 3.02Å; T41-H44 WeakPolarHBondContact O-CB 3.35Å; T41-H44 PolarHBondContact O-N 3.42Å; T41-H44 VanDerWaalsContact O-N 3.15Å; H44-F47 PolarHBondContact O-N 3.38Å; H44-V48 PolarHBondContact O-N 3.01Å; H44-V48 VanDerWaalsContact O-N 3.09Å; H44-F105 AromaticContact CD2-CD2 3.61Å; H44-F105 AromaticContact CD2-CE2 3.99Å; H44-F105 AromaticContact NE2-CD2 3.62Å; H44-F108 HydrophobicContact CB-CD1 3.95Å; H44-F108 HydrophobicContact CB-CD2 4.04Å; H44-F108 HydrophobicContact CB-CE1 3.57Å; H44-F108 HydrophobicContact CB-CE2 3.68Å; H44-F108 HydrophobicContact CB-CG 4.18Å; H44-F108 HydrophobicContact CB-CZ 3.44Å; H44-F108 VanDerWaalsContact CB-CZ 3.44Å; H44-F108 AromaticContact CD2-CD1 3.75Å; H44-F108 AromaticContact CE1-CG 3.94Å; H44-F108 AromaticContact CG-CD1 3.68Å; H44-F108 AromaticContact CG-CD2 3.98Å; H44-F108 AromaticContact CG-CE1 3.85Å; H44-F108 AromaticContact CG-CG 3.76Å; H44-F108 AromaticContact ND1-CD2 3.78Å; H44-F108 AromaticContact ND1-CG 3.67Å; H44-F108 WeakPolarHBondContact O-CZ 3.34Å |
| 45 | E | 92.9 | Very high | 92.4 | Very high | 133 Ų | 133 | 68.7 Ų | 68.7 | 62% | 0.621 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -63.1 | -47 | 177.6 | -70.3 | -175.2 | 172.8 | 0 | 0 | 112.6 | T41 F47 V48 H49 | T41-E45 PolarHBondContact O-N 3.4Å; E45-F47 VanDerWaalsContact C-N 3.31Å; E45-F47 PolarHBondContact O-N 3.44Å; E45-V48 PolarHBondContact O-N 3.11Å; E45-H49 WeakPolarHBondContact O-CB 3.22Å; E45-H49 PolarHBondContact O-N 3.38Å |
| 46 | E | 94.5 | Very high | 92.9 | Very high | 69 Ų | 69 | 69.9 Ų | 69.9 | 32% | 0.322 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.4 | -36.9 | 179.2 | -161.2 | -169 | 176.3 | 0 | 0 | 111.2 | L9 L42 F43 H49 Y50 | L9-E46 VanDerWaalsContact CD2-C 3.41Å; L9-E46 HydrophobicContact CD2-CB 3.68Å; L9-E46 HydrophobicContact CD2-CG 3.73Å; L42-E46 VanDerWaalsContact O-CB 3.31Å; L42-E46 WeakPolarHBondContact O-CB 3.5Å; L42-E46 PolarHBondContact O-N 3Å; F43-E46 PolarHBondContact O-N 3.38Å; E46-H49 WeakPolarHBondContact O-CB 3.5Å; E46-H49 PolarHBondContact O-N 3.38Å; E46-Y50 HydrophobicContact CG-CD2 4.15Å; E46-Y50 HydrophobicContact CG-CE2 3.64Å; E46-Y50 VanDerWaalsContact O-CD2 3.28Å; E46-Y50 WeakPolarHBondContact O-CD2 3.48Å; E46-Y50 PolarHBondContact O-N 2.87Å; E46-Y50 VanDerWaalsContact O-N 3.11Å; E46-Y50 WeakPolarHBondContact OE1-CE2 3.2Å |
| 47 | F | 96.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.9 | -49.2 | 177.8 | -169.7 | -78.8 | 0 | 0 | 0 | 111 | L9 F13 L30 F43 H44 E45 H49 Y50 L51 V71 F74 F105 I109 | L9-F47 HydrophobicContact CD1-CD2 3.72Å; L9-F47 HydrophobicContact CD1-CE2 4.36Å; L9-F47 VanDerWaalsContact CD2-CA 3.43Å; L9-F47 HydrophobicContact CD2-CB 3.96Å; F13-F47 HydrophobicContact CE2-CD2 4.05Å; F13-F47 AromaticContact CE2-CE2 3.86Å; F13-F47 HydrophobicContact CE2-CE2 3.86Å; F13-F47 HydrophobicContact CE2-CG 4.49Å; F13-F47 HydrophobicContact CE2-CZ 4.18Å; F13-F47 HydrophobicContact CZ-CD1 4.34Å; F13-F47 HydrophobicContact CZ-CD2 4.34Å; F13-F47 HydrophobicContact CZ-CE1 4.07Å; F13-F47 HydrophobicContact CZ-CE2 4.05Å; F13-F47 HydrophobicContact CZ-CG 4.45Å; F13-F47 AromaticContact CZ-CZ 3.9Å; F13-F47 HydrophobicContact CZ-CZ 3.9Å; L30-F47 HydrophobicContact CD2-CE2 4.35Å; F43-F47 HydrophobicContact CE1-CB 4.43Å; F43-F47 AromaticContact CE1-CD2 3.9Å; F43-F47 HydrophobicContact CE1-CD2 3.9Å; F43-F47 HydrophobicContact CZ-CD2 4.25Å; F43-F47 WeakPolarHBondContact O-CB 3.45Å; F43-F47 PolarHBondContact O-N 3.23Å; H44-F47 PolarHBondContact O-N 3.38Å; E45-F47 VanDerWaalsContact C-N 3.31Å; E45-F47 PolarHBondContact O-N 3.44Å; F47-H49 VanDerWaalsContact C-N 3.32Å; F47-H49 PolarHBondContact O-N 3.41Å; F47-Y50 PolarHBondContact O-N 3.23Å; F47-L51 HydrophobicContact CE1-CD2 4.45Å; F47-L51 WeakPolarHBondContact O-CB 3.39Å; F47-L51 PolarHBondContact O-N 2.9Å; F47-V71 HydrophobicContact CE1-CG1 3.86Å; F47-V71 HydrophobicContact CE1-CG2 4.28Å; F47-V71 HydrophobicContact CZ-CB 4.34Å; F47-V71 HydrophobicContact CZ-CG1 3.96Å; F47-V71 HydrophobicContact CZ-CG2 4.01Å; F47-F74 HydrophobicContact CD2-CD1 4.4Å; F47-F74 HydrophobicContact CD2-CE1 4.16Å; F47-F74 AromaticContact CE2-CD1 3.46Å; F47-F74 HydrophobicContact CE2-CD1 3.46Å; F47-F74 VanDerWaalsContact CE2-CD1 3.46Å; F47-F74 AromaticContact CE2-CE1 3.65Å; F47-F74 HydrophobicContact CE2-CE1 3.65Å; F47-F74 HydrophobicContact CE2-CG 4.39Å; F47-F74 AromaticContact CZ-CD1 3.83Å; F47-F74 HydrophobicContact CZ-CD1 3.83Å; F47-F74 HydrophobicContact CZ-CE1 4.36Å; F47-F105 HydrophobicContact CD1-CE2 4.45Å; F47-F105 AromaticContact CD1-CZ 3.9Å; F47-F105 HydrophobicContact CD1-CZ 3.9Å; F47-F105 HydrophobicContact CD2-CE2 4.16Å; F47-F105 AromaticContact CD2-CZ 3.87Å; F47-F105 HydrophobicContact CD2-CZ 3.87Å; F47-F105 AromaticContact CE1-CZ 3.81Å; F47-F105 HydrophobicContact CE1-CZ 3.81Å; F47-F105 AromaticContact CE2-CZ 3.81Å; F47-F105 HydrophobicContact CE2-CZ 3.81Å; F47-F105 HydrophobicContact CG-CE2 4.17Å; F47-F105 AromaticContact CG-CZ 3.95Å; F47-F105 HydrophobicContact CG-CZ 3.95Å; F47-F105 HydrophobicContact CZ-CE1 4.44Å; F47-F105 AromaticContact CZ-CZ 3.78Å; F47-F105 HydrophobicContact CZ-CZ 3.78Å; F47-I109 HydrophobicContact CD1-CD1 4.43Å; F47-I109 HydrophobicContact CE1-CD1 4.27Å |
| 48 | V | 96.4 | Very high | 93.7 | Very high | 9 Ų | 9 | 67 Ų | 67 | 6% | 0.055 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.7 | -37.8 | 176.5 | 163.4 | 0 | 0 | 0 | 0 | 111.2 | H44 E45 Y50 L51 K52 F108 F112 | H44-V48 PolarHBondContact O-N 3.01Å; H44-V48 VanDerWaalsContact O-N 3.09Å; E45-V48 PolarHBondContact O-N 3.11Å; V48-Y50 VanDerWaalsContact C-N 3.35Å; V48-Y50 PolarHBondContact O-N 2.97Å; V48-L51 PolarHBondContact O-N 3.26Å; V48-K52 HydrophobicContact CG1-CD 4.14Å; V48-K52 HydrophobicContact CG1-CG 4.34Å; V48-K52 VanDerWaalsContact O-CG 3.31Å; V48-K52 WeakPolarHBondContact O-CG 3.35Å; V48-K52 PolarHBondContact O-N 2.81Å; V48-F108 HydrophobicContact CB-CZ 4.49Å; V48-F108 HydrophobicContact CG2-CE1 3.71Å; V48-F108 HydrophobicContact CG2-CZ 3.49Å; V48-F108 VanDerWaalsContact CG2-CZ 3.49Å; V48-F112 HydrophobicContact CG1-CD1 4.36Å; V48-F112 HydrophobicContact CG1-CD2 3.7Å; V48-F112 HydrophobicContact CG1-CE1 4.02Å; V48-F112 HydrophobicContact CG1-CE2 3.33Å; V48-F112 HydrophobicContact CG1-CG 4.21Å; V48-F112 HydrophobicContact CG1-CZ 3.5Å; V48-F112 HydrophobicContact CG2-CB 4.34Å; V48-F112 HydrophobicContact CG2-CD1 3.81Å; V48-F112 HydrophobicContact CG2-CD2 4.06Å; V48-F112 HydrophobicContact CG2-CE1 4.12Å; V48-F112 HydrophobicContact CG2-CE2 4.39Å; V48-F112 HydrophobicContact CG2-CG 3.76Å; V48-F112 HydrophobicContact CG2-CZ 4.42Å |
| 49 | H | 96 | Very high | 94.3 | Very high | 92 Ų | 92 | 64.1 Ų | 64.1 | 43% | 0.426 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -54.9 | -49.3 | 175.5 | 176.6 | 82.1 | 0 | 0 | 0 | 111.5 | E45 E46 F47 Y53 | E45-H49 WeakPolarHBondContact O-CB 3.22Å; E45-H49 PolarHBondContact O-N 3.38Å; E46-H49 WeakPolarHBondContact O-CB 3.5Å; E46-H49 PolarHBondContact O-N 3.38Å; F47-H49 VanDerWaalsContact C-N 3.32Å; F47-H49 PolarHBondContact O-N 3.41Å; H49-Y53 AromaticContact NE2-CE2 3.8Å; H49-Y53 VanDerWaalsContact O-CD2 3.3Å; H49-Y53 WeakPolarHBondContact O-CD2 3.34Å; H49-Y53 WeakPolarHBondContact O-CE2 3.17Å |
| 50 | Y | 96.6 | Very high | 94.6 | Very high | 50 Ų | 50 | 67.1 Ų | 67.1 | 20% | 0.196 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -73.2 | -32.5 | 177.7 | -67.1 | -53.4 | 0 | 0 | 0 | 113.6 | L9 K10 E46 F47 V48 K52 Y53 | L9-Y50 HydrophobicContact CB-CD2 4.41Å; L9-Y50 HydrophobicContact CB-CE2 4.38Å; L9-Y50 HydrophobicContact CD2-CD2 4.08Å; L9-Y50 HydrophobicContact CD2-CE2 4.48Å; L9-Y50 HydrophobicContact CG-CD2 4.05Å; L9-Y50 HydrophobicContact CG-CE2 4.48Å; K10-Y50 HydrophobicContact CB-CE1 4.18Å; K10-Y50 HydrophobicContact CB-CE2 3.79Å; K10-Y50 HydrophobicContact CD-CE1 4.4Å; K10-Y50 HydrophobicContact CG-CE1 4.02Å; E46-Y50 HydrophobicContact CG-CD2 4.15Å; E46-Y50 HydrophobicContact CG-CE2 3.64Å; E46-Y50 VanDerWaalsContact O-CD2 3.28Å; E46-Y50 WeakPolarHBondContact O-CD2 3.48Å; E46-Y50 PolarHBondContact O-N 2.87Å; E46-Y50 VanDerWaalsContact O-N 3.11Å; E46-Y50 WeakPolarHBondContact OE1-CE2 3.2Å; F47-Y50 PolarHBondContact O-N 3.23Å; V48-Y50 VanDerWaalsContact C-N 3.35Å; V48-Y50 PolarHBondContact O-N 2.97Å; Y50-K52 VanDerWaalsContact C-N 3.32Å; Y50-K52 PolarHBondContact O-N 3.46Å; Y50-Y53 HydrophobicContact CD1-CE2 4.43Å; Y50-Y53 PolarHBondContact O-N 3.09Å |
| 51 | L | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.1 | -38 | 174.9 | -178.9 | 57.6 | 0 | 0 | 0 | 112.6 | F13 F47 V48 Y53 A54 M55 I68 V71 I109 F112 L131 | F13-L51 HydrophobicContact CE1-CB 4.3Å; F13-L51 HydrophobicContact CZ-CB 4.47Å; F47-L51 HydrophobicContact CE1-CD2 4.45Å; F47-L51 WeakPolarHBondContact O-CB 3.39Å; F47-L51 PolarHBondContact O-N 2.9Å; V48-L51 PolarHBondContact O-N 3.26Å; L51-Y53 PolarHBondContact O-N 3.45Å; L51-Y53 VanDerWaalsContact O-N 3.14Å; L51-A54 WeakPolarHBondContact O-CB 3.45Å; L51-A54 PolarHBondContact O-N 3.39Å; L51-M55 HydrophobicContact CD1-CG 4.43Å; L51-M55 HydrophobicContact CD2-SD 4.31Å; L51-M55 HydrophobicContact CG-CG 4.07Å; L51-M55 HydrophobicContact CG-SD 4Å; L51-M55 WeakPolarHBondContact O-CG 3.36Å; L51-M55 PolarHBondContact O-N 3.42Å; L51-M55 VanDerWaalsContact O-N 3.11Å; L51-I68 HydrophobicContact CD1-CD1 4.42Å; L51-V71 HydrophobicContact CD1-CB 4.41Å; L51-V71 HydrophobicContact CD1-CG1 4.11Å; L51-V71 HydrophobicContact CD1-CG2 3.83Å; L51-V71 HydrophobicContact CD2-CG1 4.28Å; L51-I109 HydrophobicContact CD2-CD1 3.81Å; L51-F112 HydrophobicContact CD2-CD1 4.42Å; L51-F112 HydrophobicContact CD2-CE1 3.96Å; L51-L131 HydrophobicContact CD1-CD1 4.02Å; L51-L131 HydrophobicContact CD2-CD1 4.17Å; L51-L131 HydrophobicContact CG-CD1 4.47Å |
| 52 | K | 96.9 | Very high | 95.1 | Very high | 108 Ų | 108 | 69.8 Ų | 69.8 | 47% | 0.47 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -55.7 | -32.9 | -178.9 | -79.8 | 168.8 | 176.6 | 172 | 0 | 113.2 | V48 Y50 A54 M55 I56 F112 | V48-K52 HydrophobicContact CG1-CD 4.14Å; V48-K52 HydrophobicContact CG1-CG 4.34Å; V48-K52 VanDerWaalsContact O-CG 3.31Å; V48-K52 WeakPolarHBondContact O-CG 3.35Å; V48-K52 PolarHBondContact O-N 2.81Å; Y50-K52 VanDerWaalsContact C-N 3.32Å; Y50-K52 PolarHBondContact O-N 3.46Å; K52-A54 VanDerWaalsContact C-N 3.29Å; K52-A54 PolarHBondContact O-N 3.39Å; K52-M55 PolarHBondContact O-N 3.17Å; K52-M55 VanDerWaalsContact O-N 3.11Å; K52-I56 PolarHBondContact O-N 3.47Å; K52-F112 HydrophobicContact CG-CZ 4.27Å |
| 53 | Y | 96.5 | Very high | 95.4 | Very high | 147 Ų | 147 | 65.8 Ų | 65.8 | 58% | 0.576 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -61.3 | -35.9 | 175.5 | -70.1 | -91.4 | 0 | 0 | 0 | 112.8 | H49 Y50 L51 I56 | H49-Y53 AromaticContact NE2-CE2 3.8Å; H49-Y53 VanDerWaalsContact O-CD2 3.3Å; H49-Y53 WeakPolarHBondContact O-CD2 3.34Å; H49-Y53 WeakPolarHBondContact O-CE2 3.17Å; Y50-Y53 HydrophobicContact CD1-CE2 4.43Å; Y50-Y53 PolarHBondContact O-N 3.09Å; L51-Y53 PolarHBondContact O-N 3.45Å; L51-Y53 VanDerWaalsContact O-N 3.14Å; Y53-I56 WeakPolarHBondContact O-CG1 3.44Å |
| 54 | A | 96.1 | Very high | 95.5 | Very high | 7 Ų | 7 | 66.4 Ų | 66.4 | 6% | 0.058 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -77.6 | -32.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | L51 K52 I56 V57 V64 V67 I68 | L51-A54 WeakPolarHBondContact O-CB 3.45Å; L51-A54 PolarHBondContact O-N 3.39Å; K52-A54 VanDerWaalsContact C-N 3.29Å; K52-A54 PolarHBondContact O-N 3.39Å; A54-I56 VanDerWaalsContact C-N 3.35Å; A54-I56 PolarHBondContact O-N 3.04Å; A54-V57 PolarHBondContact O-N 3.15Å; A54-V64 HydrophobicContact CB-CG1 3.96Å; A54-V67 HydrophobicContact CB-CG1 4.06Å; A54-I68 HydrophobicContact CB-CD1 4.16Å |
| 55 | M | 96.9 | Very high | 95.6 | Very high | 3 Ų | 3 | 66.6 Ų | 66.6 | 2% | 0.015 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.4 | -28.5 | -176.3 | -67.7 | -176.1 | 80.6 | 0 | 0 | 114.2 | L51 K52 V57 F112 L113 A123 V124 R127 A128 | L51-M55 HydrophobicContact CD1-CG 4.43Å; L51-M55 HydrophobicContact CD2-SD 4.31Å; L51-M55 HydrophobicContact CG-CG 4.07Å; L51-M55 HydrophobicContact CG-SD 4Å; L51-M55 WeakPolarHBondContact O-CG 3.36Å; L51-M55 PolarHBondContact O-N 3.42Å; L51-M55 VanDerWaalsContact O-N 3.11Å; K52-M55 PolarHBondContact O-N 3.17Å; K52-M55 VanDerWaalsContact O-N 3.11Å; M55-V57 VanDerWaalsContact C-N 3.27Å; M55-V57 PolarHBondContact O-N 3.09Å; M55-F112 HydrophobicContact CE-CE1 3.97Å; M55-F112 HydrophobicContact CE-CZ 4.15Å; M55-F112 HydrophobicContact SD-CE1 3.42Å; M55-F112 WeakPolarHBondContact SD-CE1 3.32Å; M55-F112 HydrophobicContact SD-CZ 3.54Å; M55-F112 VanDerWaalsContact SD-CZ 3.54Å; M55-L113 HydrophobicContact CE-CD2 3.92Å; M55-A123 CarbonylContact O-C 3.32Å; M55-A123 VanDerWaalsContact O-C 3.32Å; M55-V124 HydrophobicContact CE-CG1 4.18Å; M55-V124 WeakPolarHBondContact O-CA 3.37Å; M55-V124 PolarHBondContact O-N 3.26Å; M55-R127 HydrophobicContact CB-CB 4.25Å; M55-R127 HydrophobicContact CG-CB 4.27Å; M55-R127 WeakPolarHBondContact O-CG 3.37Å; M55-A128 HydrophobicContact CE-CB 4.25Å |
| 56 | I | 96.8 | Very high | 95.7 | Very high | 113 Ų | 113 | 61.7 Ų | 61.7 | 58% | 0.579 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -6.1 | 179.5 | 60.8 | 169.2 | 0 | 0 | 0 | 113.7 | K52 Y53 A54 A123 V124 | K52-I56 PolarHBondContact O-N 3.47Å; Y53-I56 WeakPolarHBondContact O-CG1 3.44Å; A54-I56 VanDerWaalsContact C-N 3.35Å; A54-I56 PolarHBondContact O-N 3.04Å; I56-A123 VanDerWaalsContact O-CB 3.28Å; I56-A123 WeakPolarHBondContact O-CB 3.42Å; I56-V124 HydrophobicContact CG2-CG2 4.18Å |
| 57 | V | 96.3 | Very high | 95.7 | Very high | 41 Ų | 41 | 58.8 Ų | 58.8 | 25% | 0.248 | 28% | 0.279 | C | S | . | . | trans | -99.6 | 107.8 | -176.4 | -174.8 | 0 | 0 | 0 | 0 | 111 | A54 M55 V64 R127 | A54-V57 PolarHBondContact O-N 3.15Å; M55-V57 VanDerWaalsContact C-N 3.27Å; M55-V57 PolarHBondContact O-N 3.09Å; V57-V64 HydrophobicContact CB-CG1 4.41Å; V57-V64 HydrophobicContact CB-CG2 4.17Å; V57-V64 HydrophobicContact CG1-CG2 4.1Å; V57-V64 HydrophobicContact CG2-CG2 4.32Å; V57-R127 VanDerWaalsContact O-CZ 3.3Å; V57-R127 PolarHBondContact O-NE 3.35Å; V57-R127 PolarHBondContact O-NH2 3.35Å | ||
| 58 | Y | 95.4 | Very high | 95.7 | Very high | 66 Ų | 66 | 58.8 Ų | 58.8 | 26% | 0.259 | 28% | 0.279 | S | S | . | . | trans | -73.3 | -37.7 | 178.4 | -177.4 | -115.2 | 0 | 0 | 0 | 113.3 | H122 F126 N167 | Y58-H122 AromaticContact CD1-NE2 3.89Å; Y58-H122 AromaticContact CD2-CD2 3.62Å; Y58-H122 AromaticContact CE2-CD2 3.82Å; Y58-H122 AromaticContact CG-CD2 3.77Å; Y58-H122 AromaticContact CG-NE2 3.73Å; Y58-F126 HydrophobicContact CD2-CB 4Å; Y58-F126 HydrophobicContact CD2-CD1 4.01Å; Y58-F126 HydrophobicContact CD2-CG 4.06Å; Y58-F126 HydrophobicContact CE2-CB 4.06Å; Y58-F126 HydrophobicContact CE2-CD1 4.39Å; Y58-F126 HydrophobicContact CE2-CG 4.07Å; Y58-N167 HydrophobicContact CE2-CB 4.09Å; Y58-N167 WeakPolarHBondContact OH-CB 3.48Å; Y58-N167 PolarHBondContact OH-ND2 3.28Å | ||
| 59 | K | 93.7 | Very high | 95.6 | Very high | 141 Ų | 141 | 60.9 Ų | 60.9 | 61% | 0.613 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -65.7 | 138.5 | -178.3 | -171.1 | 178.8 | 172.1 | -163 | 0 | 110.3 | E61 R127 | K59-E61 HydrophobicContact CB-CG 4.23Å; K59-E61 HydrophobicContact CD-CG 4.06Å; K59-E61 HydrophobicContact CG-CG 4.02Å; K59-E61 IonicContact NZ-OE1 2.79Å; K59-E61 PolarHBondContact O-N 3.02Å; K59-R127 PolarHBondContact O-NH2 3.06Å |
| 60 | R | 93.3 | Very high | 95.6 | Very high | 156 Ų | 156 | 56.5 Ų | 56.5 | 59% | 0.589 | 27% | 0.268 | S | S | * | . | trans | -78.6 | 64.4 | -179.8 | -59.3 | -165.1 | 73 | -172.1 | -0.1 | 112 | E65 | R60-E65 WeakPolarHBondContact CA-OE1 3.48Å; R60-E65 HydrophobicContact CB-CG 4.31Å; R60-E65 WeakPolarHBondContact CB-OE1 3.4Å; R60-E65 WeakPolarHBondContact CG-OE1 3.37Å; R60-E65 IonicContact CZ-OE2 2.71Å; R60-E65 IonicContact NE-OE1 3.65Å; R60-E65 PolarHBondContact NE-OE1 3.02Å; R60-E65 IonicContact NE-OE2 3.27Å; R60-E65 PolarHBondContact NE-OE2 3.21Å; R60-E65 IonicContact NH2-OE2 3.06Å; R60-E65 PolarHBondContact NH2-OE2 3.06Å | ||
| 61 | E | 94.2 | Very high | 95.6 | Very high | 81 Ų | 81 | 54.2 Ų | 54.2 | 38% | 0.379 | 26% | 0.259 | S | S | . | . | trans | -74.8 | 135.8 | 177.1 | -61.5 | -169 | 163.9 | 0 | 0 | 110.6 | K59 A63 V64 E65 | K59-E61 HydrophobicContact CB-CG 4.23Å; K59-E61 HydrophobicContact CD-CG 4.06Å; K59-E61 HydrophobicContact CG-CG 4.02Å; K59-E61 IonicContact NZ-OE1 2.79Å; K59-E61 PolarHBondContact O-N 3.02Å; E61-A63 VanDerWaalsContact C-N 3.26Å; E61-A63 PolarHBondContact O-N 3.02Å; E61-V64 HydrophobicContact CB-CG2 4.21Å; E61-V64 PolarHBondContact O-N 3.47Å; E61-E65 PolarHBondContact O-N 2.93Å | ||
| 62 | P | 94.5 | Very high | 95.5 | Very high | 101 Ų | 101 | 54.5 Ų | 54.5 | 66% | 0.656 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -55.3 | -38.5 | -174.8 | -28.3 | 34.8 | 0 | 0 | 0 | 114.1 | V64 E65 N66 | P62-V64 VanDerWaalsContact C-N 3.34Å; P62-V64 PolarHBondContact O-N 3.03Å; P62-E65 PolarHBondContact O-N 3.46Å; P62-N66 WeakPolarHBondContact O-CB 3.49Å; P62-N66 PolarHBondContact O-N 2.93Å; P62-N66 PolarHBondContact O-ND2 3.19Å; P62-N66 VanDerWaalsContact O-ND2 3.1Å |
| 63 | A | 95 | Very high | 95.3 | Very high | 36 Ų | 36 | 54 Ų | 54 | 30% | 0.298 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q17 E61 N66 V67 | Q17-A63 HydrophobicContact CB-CB 4.14Å; Q17-A63 HydrophobicContact CG-CB 4.42Å; E61-A63 VanDerWaalsContact C-N 3.26Å; E61-A63 PolarHBondContact O-N 3.02Å; A63-N66 PolarHBondContact O-N 3.41Å; A63-V67 WeakPolarHBondContact O-CG2 3.42Å; A63-V67 PolarHBondContact O-N 2.88Å; A63-V67 VanDerWaalsContact O-N 3.16Å |
| 64 | V | 95.9 | Very high | 95.1 | Very high | 16 Ų | 16 | 47 Ų | 47 | 10% | 0.097 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.4 | -47.4 | 177.9 | -178.7 | 0 | 0 | 0 | 0 | 110.5 | A54 V57 E61 P62 N66 V67 I68 | A54-V64 HydrophobicContact CB-CG1 3.96Å; V57-V64 HydrophobicContact CB-CG1 4.41Å; V57-V64 HydrophobicContact CB-CG2 4.17Å; V57-V64 HydrophobicContact CG1-CG2 4.1Å; V57-V64 HydrophobicContact CG2-CG2 4.32Å; E61-V64 HydrophobicContact CB-CG2 4.21Å; E61-V64 PolarHBondContact O-N 3.47Å; P62-V64 VanDerWaalsContact C-N 3.34Å; P62-V64 PolarHBondContact O-N 3.03Å; V64-N66 PolarHBondContact O-N 3.34Å; V64-V67 PolarHBondContact O-N 3.37Å; V64-V67 VanDerWaalsContact O-N 3.1Å; V64-I68 HydrophobicContact CG1-CG1 4.31Å; V64-I68 VanDerWaalsContact O-CG1 3.32Å; V64-I68 WeakPolarHBondContact O-CG1 3.45Å; V64-I68 PolarHBondContact O-N 2.98Å |
| 65 | E | 95.9 | Very high | 94.9 | Very high | 30 Ų | 30 | 46.6 Ų | 46.6 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.3 | -35.5 | 177.2 | -61.8 | -67.1 | 137.3 | 0 | 0 | 111.6 | R60 E61 P62 I68 E69 R127 Q130 | R60-E65 WeakPolarHBondContact CA-OE1 3.48Å; R60-E65 HydrophobicContact CB-CG 4.31Å; R60-E65 WeakPolarHBondContact CB-OE1 3.4Å; R60-E65 WeakPolarHBondContact CG-OE1 3.37Å; R60-E65 IonicContact CZ-OE2 2.71Å; R60-E65 IonicContact NE-OE1 3.65Å; R60-E65 PolarHBondContact NE-OE1 3.02Å; R60-E65 IonicContact NE-OE2 3.27Å; R60-E65 PolarHBondContact NE-OE2 3.21Å; R60-E65 IonicContact NH2-OE2 3.06Å; R60-E65 PolarHBondContact NH2-OE2 3.06Å; E61-E65 PolarHBondContact O-N 2.93Å; P62-E65 PolarHBondContact O-N 3.46Å; E65-I68 PolarHBondContact O-N 3.15Å; E65-E69 WeakPolarHBondContact O-CB 3.19Å; E65-E69 PolarHBondContact O-N 3.34Å; E65-R127 IonicContact OE1-CZ 3.68Å; E65-R127 IonicContact OE1-NH1 3.3Å; E65-R127 PolarHBondContact OE1-NH1 3.3Å; E65-R127 IonicContact OE1-NH2 2.64Å; E65-R127 PolarHBondContact OE1-NH2 2.97Å; E65-Q130 PolarHBondContact OE2-NE2 3.12Å |
| 66 | N | 94.8 | Very high | 94.5 | Very high | 30 Ų | 30 | 47.6 Ų | 47.6 | 16% | 0.16 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.4 | -39.5 | 175.5 | -76.2 | -34.8 | 0 | 0 | 0 | 113.2 | A16 Q17 G19 K23 P62 A63 V64 E69 F70 | A16-N66 VanDerWaalsContact O-CB 3.23Å; A16-N66 WeakPolarHBondContact O-CB 3.26Å; Q17-N66 PolarHBondContact O-ND2 3.48Å; Q17-N66 VanDerWaalsContact O-ND2 3.15Å; G19-N66 WeakPolarHBondContact CA-ND2 3.46Å; G19-N66 PolarHBondContact N-ND2 2.9Å; K23-N66 PolarHBondContact NZ-OD1 3.44Å; P62-N66 WeakPolarHBondContact O-CB 3.49Å; P62-N66 PolarHBondContact O-N 2.93Å; P62-N66 PolarHBondContact O-ND2 3.19Å; P62-N66 VanDerWaalsContact O-ND2 3.1Å; A63-N66 PolarHBondContact O-N 3.41Å; V64-N66 PolarHBondContact O-N 3.34Å; N66-E69 PolarHBondContact O-N 2.94Å; N66-F70 WeakPolarHBondContact O-CB 3.45Å; N66-F70 PolarHBondContact O-N 3.38Å |
| 67 | V | 95.8 | Very high | 94.2 | Very high | 7 Ų | 7 | 43.6 Ų | 43.6 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.2 | -46 | 174.5 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | F13 A16 Q17 A54 A63 V64 E69 F70 V71 | F13-V67 HydrophobicContact CD1-CG1 3.67Å; F13-V67 HydrophobicContact CE1-CG1 3.81Å; A16-V67 HydrophobicContact CB-CG2 4.46Å; Q17-V67 HydrophobicContact CB-CG2 4.43Å; Q17-V67 HydrophobicContact CG-CG2 3.48Å; Q17-V67 VanDerWaalsContact CG-CG2 3.48Å; A54-V67 HydrophobicContact CB-CG1 4.06Å; A63-V67 WeakPolarHBondContact O-CG2 3.42Å; A63-V67 PolarHBondContact O-N 2.88Å; A63-V67 VanDerWaalsContact O-N 3.16Å; V64-V67 PolarHBondContact O-N 3.37Å; V64-V67 VanDerWaalsContact O-N 3.1Å; V67-E69 VanDerWaalsContact C-N 3.28Å; V67-E69 PolarHBondContact O-N 2.82Å; V67-F70 WeakPolarHBondContact O-CB 3.39Å; V67-F70 PolarHBondContact O-N 3.12Å; V67-F70 VanDerWaalsContact O-N 3.15Å; V67-V71 HydrophobicContact CG1-CG2 4.24Å; V67-V71 WeakPolarHBondContact O-CB 3.37Å; V67-V71 WeakPolarHBondContact O-CG2 3.45Å; V67-V71 PolarHBondContact O-N 2.87Å |
| 68 | I | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.4 | -42.2 | 176.6 | -65.5 | -63.3 | 0 | 0 | 0 | 111 | L51 A54 V64 E65 V71 A72 Q130 L131 K134 | L51-I68 HydrophobicContact CD1-CD1 4.42Å; A54-I68 HydrophobicContact CB-CD1 4.16Å; V64-I68 HydrophobicContact CG1-CG1 4.31Å; V64-I68 VanDerWaalsContact O-CG1 3.32Å; V64-I68 WeakPolarHBondContact O-CG1 3.45Å; V64-I68 PolarHBondContact O-N 2.98Å; E65-I68 PolarHBondContact O-N 3.15Å; I68-V71 PolarHBondContact O-N 3.16Å; I68-A72 PolarHBondContact O-N 2.56Å; I68-Q130 HydrophobicContact CG2-CG 4.39Å; I68-L131 HydrophobicContact CB-CD2 4.5Å; I68-L131 HydrophobicContact CD1-CD1 3.92Å; I68-L131 HydrophobicContact CD1-CD2 4.06Å; I68-L131 HydrophobicContact CD1-CG 4Å; I68-L131 HydrophobicContact CG2-CD2 3.78Å; I68-L131 HydrophobicContact CG2-CG 4.19Å; I68-K134 HydrophobicContact CG2-CD 3.65Å |
| 69 | E | 94.6 | Very high | 92.6 | Very high | 54 Ų | 54 | 41.4 Ų | 41.4 | 25% | 0.252 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.9 | -42.6 | 175.1 | -174 | 66.1 | -164.7 | 0 | 0 | 112.6 | K23 E65 N66 V67 A72 K73 K134 | K23-E69 HydrophobicContact CD-CG 4.41Å; E65-E69 WeakPolarHBondContact O-CB 3.19Å; E65-E69 PolarHBondContact O-N 3.34Å; N66-E69 PolarHBondContact O-N 2.94Å; V67-E69 VanDerWaalsContact C-N 3.28Å; V67-E69 PolarHBondContact O-N 2.82Å; E69-A72 PolarHBondContact O-N 3.31Å; E69-K73 WeakPolarHBondContact O-CG 3.45Å; E69-K73 PolarHBondContact O-N 3.06Å; E69-K73 WeakPolarHBondContact OE1-CE 3.42Å; E69-K73 IonicContact OE1-NZ 3.93Å; E69-K134 IonicContact OE2-NZ 2.97Å; E69-K134 PolarHBondContact OE2-NZ 3.2Å |
| 70 | F | 95.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.6 | -45.1 | 176.4 | 163.6 | -106.8 | 0 | 0 | 0 | 111.5 | A12 F13 A16 L26 V27 L30 N66 V67 K73 F74 | A12-F70 HydrophobicContact CB-CZ 4.09Å; F13-F70 HydrophobicContact CD2-CE1 4.09Å; F13-F70 HydrophobicContact CE2-CE1 4.11Å; A16-F70 HydrophobicContact CB-CB 3.72Å; A16-F70 HydrophobicContact CB-CD1 3.68Å; A16-F70 HydrophobicContact CB-CD2 4.22Å; A16-F70 HydrophobicContact CB-CE1 4.38Å; A16-F70 HydrophobicContact CB-CG 3.59Å; L26-F70 HydrophobicContact CB-CD2 4.26Å; L26-F70 HydrophobicContact CB-CE2 3.74Å; V27-F70 HydrophobicContact CG2-CD2 3.94Å; V27-F70 HydrophobicContact CG2-CE2 3.91Å; L30-F70 HydrophobicContact CD2-CE1 4.41Å; L30-F70 HydrophobicContact CD2-CZ 3.78Å; N66-F70 WeakPolarHBondContact O-CB 3.45Å; N66-F70 PolarHBondContact O-N 3.38Å; V67-F70 WeakPolarHBondContact O-CB 3.39Å; V67-F70 PolarHBondContact O-N 3.12Å; V67-F70 VanDerWaalsContact O-N 3.15Å; F70-K73 PolarHBondContact O-N 2.82Å; F70-F74 WeakPolarHBondContact O-CB 3.36Å; F70-F74 PolarHBondContact O-N 3.2Å |
| 71 | V | 95.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.2 | -46.7 | 178.7 | 168.7 | 0 | 0 | 0 | 0 | 110.9 | F13 F47 L51 V67 I68 F74 A75 L131 | F13-V71 HydrophobicContact CE1-CG2 3.87Å; F13-V71 HydrophobicContact CZ-CG2 3.81Å; F47-V71 HydrophobicContact CE1-CG1 3.86Å; F47-V71 HydrophobicContact CE1-CG2 4.28Å; F47-V71 HydrophobicContact CZ-CB 4.34Å; F47-V71 HydrophobicContact CZ-CG1 3.96Å; F47-V71 HydrophobicContact CZ-CG2 4.01Å; L51-V71 HydrophobicContact CD1-CB 4.41Å; L51-V71 HydrophobicContact CD1-CG1 4.11Å; L51-V71 HydrophobicContact CD1-CG2 3.83Å; L51-V71 HydrophobicContact CD2-CG1 4.28Å; V67-V71 HydrophobicContact CG1-CG2 4.24Å; V67-V71 WeakPolarHBondContact O-CB 3.37Å; V67-V71 WeakPolarHBondContact O-CG2 3.45Å; V67-V71 PolarHBondContact O-N 2.87Å; I68-V71 PolarHBondContact O-N 3.16Å; V71-F74 PolarHBondContact O-N 2.93Å; V71-A75 WeakPolarHBondContact O-CB 3.42Å; V71-A75 PolarHBondContact O-N 2.87Å; V71-L131 HydrophobicContact CB-CD2 4.29Å; V71-L131 HydrophobicContact CG1-CD2 3.88Å |
| 72 | A | 94.4 | Very high | 87.3 | Confident | 6 Ų | 6 | 38.3 Ų | 38.3 | 5% | 0.05 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.3 | -48.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I68 E69 F74 A75 T76 K134 L135 | I68-A72 PolarHBondContact O-N 2.56Å; E69-A72 PolarHBondContact O-N 3.31Å; A72-F74 VanDerWaalsContact C-N 3.34Å; A72-F74 PolarHBondContact O-N 3.12Å; A72-A75 PolarHBondContact O-N 2.99Å; A72-T76 PolarHBondContact O-N 3.15Å; A72-T76 PolarHBondContact O-OG1 3.21Å; A72-K134 HydrophobicContact CB-CB 3.72Å; A72-K134 HydrophobicContact CB-CD 4.44Å; A72-L135 HydrophobicContact CB-CD2 4.46Å |
| 73 | K | 92.7 | Very high | 85 | Confident | 97 Ų | 97 | 39.8 Ų | 39.8 | 42% | 0.422 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.2 | -37.5 | 178 | -72.7 | -173.6 | -177.3 | -164.4 | 0 | 113.4 | V27 E69 F70 S77 | V27-K73 HydrophobicContact CG2-CB 4.07Å; E69-K73 WeakPolarHBondContact O-CG 3.45Å; E69-K73 PolarHBondContact O-N 3.06Å; E69-K73 WeakPolarHBondContact OE1-CE 3.42Å; E69-K73 IonicContact OE1-NZ 3.93Å; F70-K73 PolarHBondContact O-N 2.82Å; K73-S77 VanDerWaalsContact O-CB 3.29Å; K73-S77 WeakPolarHBondContact O-CB 3.38Å; K73-S77 PolarHBondContact O-N 2.74Å; K73-S77 VanDerWaalsContact O-N 3.1Å |
| 74 | F | 93.6 | Very high | 82.2 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.8 | -49.8 | 176.3 | 176.5 | -105.9 | 0 | 0 | 0 | 110.5 | V27 L30 K31 F43 F47 F70 V71 A72 T76 S77 F78 F105 | V27-F74 HydrophobicContact CG1-CD2 4.37Å; V27-F74 HydrophobicContact CG2-CB 4.16Å; L30-F74 HydrophobicContact CB-CD2 4.11Å; L30-F74 HydrophobicContact CB-CE2 3.75Å; L30-F74 HydrophobicContact CB-CZ 4.5Å; L30-F74 HydrophobicContact CD2-CD1 4.41Å; L30-F74 HydrophobicContact CD2-CD2 3.93Å; L30-F74 HydrophobicContact CD2-CE1 4.25Å; L30-F74 HydrophobicContact CD2-CE2 3.77Å; L30-F74 HydrophobicContact CD2-CG 4.25Å; L30-F74 HydrophobicContact CD2-CZ 3.92Å; L30-F74 HydrophobicContact CG-CD2 4.18Å; L30-F74 HydrophobicContact CG-CE2 3.6Å; L30-F74 HydrophobicContact CG-CZ 3.87Å; K31-F74 HydrophobicContact CB-CE2 4.31Å; F43-F74 HydrophobicContact CE1-CE1 4.04Å; F43-F74 HydrophobicContact CE1-CZ 4.06Å; F43-F74 HydrophobicContact CZ-CE1 4.17Å; F43-F74 AromaticContact CZ-CZ 3.85Å; F43-F74 HydrophobicContact CZ-CZ 3.85Å; F47-F74 HydrophobicContact CD2-CD1 4.4Å; F47-F74 HydrophobicContact CD2-CE1 4.16Å; F47-F74 AromaticContact CE2-CD1 3.46Å; F47-F74 HydrophobicContact CE2-CD1 3.46Å; F47-F74 VanDerWaalsContact CE2-CD1 3.46Å; F47-F74 AromaticContact CE2-CE1 3.65Å; F47-F74 HydrophobicContact CE2-CE1 3.65Å; F47-F74 HydrophobicContact CE2-CG 4.39Å; F47-F74 AromaticContact CZ-CD1 3.83Å; F47-F74 HydrophobicContact CZ-CD1 3.83Å; F47-F74 HydrophobicContact CZ-CE1 4.36Å; F70-F74 WeakPolarHBondContact O-CB 3.36Å; F70-F74 PolarHBondContact O-N 3.2Å; V71-F74 PolarHBondContact O-N 2.93Å; A72-F74 VanDerWaalsContact C-N 3.34Å; A72-F74 PolarHBondContact O-N 3.12Å; F74-T76 PolarHBondContact O-N 2.67Å; F74-S77 WeakPolarHBondContact O-CB 3.18Å; F74-S77 PolarHBondContact O-N 2.63Å; F74-S77 PolarHBondContact O-OG 3.24Å; F74-F78 HydrophobicContact CD1-CE2 4.32Å; F74-F78 HydrophobicContact CD2-CE2 4.48Å; F74-F78 AromaticContact CE1-CE2 3.9Å; F74-F78 HydrophobicContact CE1-CE2 3.9Å; F74-F78 HydrophobicContact CE1-CZ 4.2Å; F74-F78 HydrophobicContact CE2-CE2 4.06Å; F74-F78 AromaticContact CE2-CZ 3.87Å; F74-F78 HydrophobicContact CE2-CZ 3.87Å; F74-F78 AromaticContact CZ-CE2 3.77Å; F74-F78 HydrophobicContact CZ-CE2 3.77Å; F74-F78 AromaticContact CZ-CZ 3.61Å; F74-F78 HydrophobicContact CZ-CZ 3.61Å; F74-F78 WeakPolarHBondContact O-CD2 3.44Å; F74-F78 WeakPolarHBondContact O-CE2 3.42Å; F74-F105 HydrophobicContact CD1-CD1 4.41Å; F74-F105 AromaticContact CD1-CE1 3.64Å; F74-F105 HydrophobicContact CD1-CE1 3.64Å; F74-F105 AromaticContact CD1-CZ 3.74Å; F74-F105 HydrophobicContact CD1-CZ 3.74Å; F74-F105 HydrophobicContact CE1-CD1 4.16Å; F74-F105 HydrophobicContact CE1-CD2 4.3Å; F74-F105 AromaticContact CE1-CE1 3.62Å; F74-F105 HydrophobicContact CE1-CE1 3.62Å; F74-F105 AromaticContact CE1-CE2 3.8Å; F74-F105 HydrophobicContact CE1-CE2 3.8Å; F74-F105 HydrophobicContact CE1-CG 4.49Å; F74-F105 AromaticContact CE1-CZ 3.44Å; F74-F105 HydrophobicContact CE1-CZ 3.44Å; F74-F105 VanDerWaalsContact CE1-CZ 3.44Å |
| 75 | A | 91.8 | Very high | 79.5 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61 | -40 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V71 A72 F105 L106 I109 L135 | V71-A75 WeakPolarHBondContact O-CB 3.42Å; V71-A75 PolarHBondContact O-N 2.87Å; A72-A75 PolarHBondContact O-N 2.99Å; A75-F105 HydrophobicContact CB-CD1 4.21Å; A75-F105 HydrophobicContact CB-CE1 3.88Å; A75-L106 HydrophobicContact CB-CD1 4.44Å; A75-I109 HydrophobicContact CB-CG2 4.23Å; A75-L135 HydrophobicContact CB-CD2 3.35Å |
| 76 | T | 89.3 | Confident | 76.9 | Confident | 23 Ų | 23 | 55.3 Ų | 55.3 | 14% | 0.141 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -83.8 | -9 | 178.9 | 63.9 | 0 | 0 | 0 | 0 | 113.8 | A72 F74 F78 Q79 L135 M139 | A72-T76 PolarHBondContact O-N 3.15Å; A72-T76 PolarHBondContact O-OG1 3.21Å; F74-T76 PolarHBondContact O-N 2.67Å; T76-F78 PolarHBondContact O-N 3.11Å; T76-Q79 PolarHBondContact O-N 3.05Å; T76-L135 HydrophobicContact CG2-CD2 4.24Å; T76-M139 HydrophobicContact CG2-CG 4.21Å |
| 77 | S | 89.1 | Confident | 74.5 | Confident | 30 Ų | 30 | 61.4 Ų | 61.4 | 21% | 0.21 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -12.5 | 179.3 | 72.5 | 0 | 0 | 0 | 0 | 114.3 | K31 K73 F74 Q79 | K31-S77 WeakPolarHBondContact CE-O 3.34Å; K31-S77 PolarHBondContact NZ-O 2.99Å; K73-S77 VanDerWaalsContact O-CB 3.29Å; K73-S77 WeakPolarHBondContact O-CB 3.38Å; K73-S77 PolarHBondContact O-N 2.74Å; K73-S77 VanDerWaalsContact O-N 3.1Å; F74-S77 WeakPolarHBondContact O-CB 3.18Å; F74-S77 PolarHBondContact O-N 2.63Å; F74-S77 PolarHBondContact O-OG 3.24Å; S77-Q79 VanDerWaalsContact C-N 3.34Å |
| 78 | F | 83.6 | Confident | 71.8 | Confident | 20 Ų | 20 | 69.7 Ų | 69.7 | 9% | 0.088 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -8.6 | -179.9 | -63.9 | -77.2 | 0 | 0 | 0 | 113.7 | K31 Y34 F74 T76 H103 F105 | K31-F78 HydrophobicContact CB-CE1 4.48Å; K31-F78 HydrophobicContact CD-CD1 4.32Å; K31-F78 HydrophobicContact CD-CE1 4.26Å; K31-F78 HydrophobicContact CG-CD1 4.14Å; K31-F78 HydrophobicContact CG-CE1 3.6Å; K31-F78 HydrophobicContact CG-CZ 4.1Å; Y34-F78 HydrophobicContact CD1-CD1 4.49Å; Y34-F78 AromaticContact CD1-CE1 3.45Å; Y34-F78 HydrophobicContact CD1-CE1 3.45Å; Y34-F78 VanDerWaalsContact CD1-CE1 3.45Å; Y34-F78 AromaticContact CD1-CZ 3.56Å; Y34-F78 HydrophobicContact CD1-CZ 3.56Å; Y34-F78 HydrophobicContact CE1-CE1 4.04Å; Y34-F78 HydrophobicContact CE1-CZ 4.17Å; Y34-F78 HydrophobicContact CG-CE1 4.2Å; Y34-F78 AromaticContact CG-CZ 3.9Å; Y34-F78 HydrophobicContact CG-CZ 3.9Å; F74-F78 HydrophobicContact CD1-CE2 4.32Å; F74-F78 HydrophobicContact CD2-CE2 4.48Å; F74-F78 AromaticContact CE1-CE2 3.9Å; F74-F78 HydrophobicContact CE1-CE2 3.9Å; F74-F78 HydrophobicContact CE1-CZ 4.2Å; F74-F78 HydrophobicContact CE2-CE2 4.06Å; F74-F78 AromaticContact CE2-CZ 3.87Å; F74-F78 HydrophobicContact CE2-CZ 3.87Å; F74-F78 AromaticContact CZ-CE2 3.77Å; F74-F78 HydrophobicContact CZ-CE2 3.77Å; F74-F78 AromaticContact CZ-CZ 3.61Å; F74-F78 HydrophobicContact CZ-CZ 3.61Å; F74-F78 WeakPolarHBondContact O-CD2 3.44Å; F74-F78 WeakPolarHBondContact O-CE2 3.42Å; T76-F78 PolarHBondContact O-N 3.11Å; F78-H103 HydrophobicContact CB-CB 3.98Å; F78-H103 AromaticContact CD1-CD2 3.87Å; F78-H103 AromaticContact CD1-CE1 3.18Å; F78-H103 WeakPolarHBondContact CD1-CE1 3.45Å; F78-H103 AromaticContact CD1-ND1 3.85Å; F78-H103 AromaticContact CD1-NE2 3.17Å; F78-H103 WeakPolarHBondContact CD1-NE2 3.25Å; F78-H103 AromaticContact CD2-CE1 3.82Å; F78-H103 AromaticContact CD2-ND1 3.93Å; F78-H103 AromaticContact CE1-CE1 3.57Å; F78-H103 AromaticContact CE1-NE2 3.72Å; F78-H103 AromaticContact CG-CE1 3.31Å; F78-H103 WeakPolarHBondContact CG-CE1 3.36Å; F78-H103 AromaticContact CG-CG 3.94Å; F78-H103 AromaticContact CG-ND1 3.5Å; F78-H103 AromaticContact CG-NE2 3.66Å; F78-F105 HydrophobicContact CD2-CB 4.35Å; F78-F105 HydrophobicContact CD2-CD1 4.24Å; F78-F105 HydrophobicContact CE2-CB 4.22Å; F78-F105 AromaticContact CE2-CD1 3.91Å; F78-F105 HydrophobicContact CE2-CD1 3.91Å; F78-F105 HydrophobicContact CE2-CG 4.08Å |
| 79 | Q | 74.1 | Confident | 68.9 | Low | 41 Ų | 41 | 78.9 Ų | 78.9 | 19% | 0.192 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -71.7 | 145.5 | 175.2 | -64 | -162.1 | -41.7 | 0 | 0 | 111.3 | T76 S77 A140 | T76-Q79 PolarHBondContact O-N 3.05Å; S77-Q79 VanDerWaalsContact C-N 3.34Å; Q79-A140 VanDerWaalsContact OE1-N 3.1Å |
| 80 | P | 64.4 | Low | 66.3 | Low | 107 Ų | 107 | 85.3 Ų | 85.3 | 70% | 0.695 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 142.4 | 172.7 | 23.8 | -30.7 | 0 | 0 | 0 | 109.9 | ||
| 81 | P | 57.7 | Low | 63.8 | Low | 109 Ų | 109 | 94 Ų | 94 | 71% | 0.708 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 140.5 | 174.6 | 25.3 | -31.1 | 0 | 0 | 0 | 109.4 | N83 | P81-N83 PolarHBondContact O-N 2.8Å; P81-N83 VanDerWaalsContact O-N 3.08Å |
| 82 | P | 48.9 | Very low | 61.1 | Low | 97 Ų | 97 | 102.8 Ų | 102.8 | 63% | 0.63 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -62.6 | 116.1 | 175.3 | 25.5 | -31.1 | 0 | 0 | 0 | 108.5 | A84 | P82-A84 PolarHBondContact O-N 2.79Š|
| 83 | N | 47 | Very low | 58.2 | Low | 131 Ų | 131 | 111.8 Ų | 111.8 | 70% | 0.701 | 58% | 0.578 | S | S | * | * | trans | -14.1 | 112.4 | -176.3 | -63.2 | -5.7 | 0 | 0 | 0 | 115.8 | P81 E85 | P81-N83 PolarHBondContact O-N 2.8Å; P81-N83 VanDerWaalsContact O-N 3.08Å; N83-E85 PolarHBondContact O-N 3.01Å | ||
| 84 | A | 35.9 | Very low | 55.6 | Low | 96 Ų | 96 | 116.5 Ų | 116.5 | 79% | 0.793 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -70.3 | 105.8 | 141.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | P82 | P82-A84 PolarHBondContact O-N 2.79Š|
| 85 | E | 39.2 | Very low | 53 | Low | 162 Ų | 162 | 125.1 Ų | 125.1 | 76% | 0.757 | 64% | 0.642 | S | S | * | * | trans | 51.7 | 99.2 | 152.9 | -61.5 | 169.7 | -175.6 | 0 | 0 | 115.8 | N83 E87 | N83-E85 PolarHBondContact O-N 3.01Å; E85-E87 PolarHBondContact O-N 2.73Å | ||
| 86 | N | 41.1 | Very low | 50.2 | Low | 151 Ų | 151 | 132.7 Ų | 132.7 | 81% | 0.807 | 68% | 0.677 | S | S | * | * | S | Bend | -17.5 | 82.1 | 101.8 | -78.1 | 0.1 | 0 | 0 | 0 | 113.7 | |||
| 87 | E | 43.3 | Very low | 47.6 | Very low | 157 Ų | 157 | 141.1 Ų | 141.1 | 73% | 0.734 | 72% | 0.715 | S | S | * | * | trans | -176.1 | 110.1 | 144.5 | -101.2 | 169.1 | -148.8 | 0 | 0 | 107.8 | E85 | E85-E87 PolarHBondContact O-N 2.73Š| ||
| 88 | Q | 39.1 | Very low | 45.1 | Very low | 182 Ų | 182 | 146.9 Ų | 146.9 | 85% | 0.85 | 74% | 0.739 | S | S | * | * | S | Bend | trans | 88 | 73.1 | 173 | -51.6 | 170.4 | 17.4 | 0 | 0 | 117 | ||
| 89 | Q | 35.6 | Very low | 43 | Very low | 193 Ų | 193 | 152.3 Ų | 152.3 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | trans | -172 | 66.7 | 138.2 | -102.5 | 161.7 | 1.2 | 0 | 0 | 108.1 | ||||
| 90 | E | 40.8 | Very low | 41.8 | Very low | 189 Ų | 189 | 158.2 Ų | 158.2 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -84.8 | 130.3 | 148.7 | -76.8 | 178.9 | 171.4 | 0 | 0 | 105.2 | ||||
| 91 | E | 42.1 | Very low | 41.2 | Very low | 182 Ų | 182 | 159.6 Ų | 159.6 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 105.1 | 109.3 | -178 | -59.7 | 177.5 | -175.7 | 0 | 0 | 113.6 | ||
| 92 | E | 39.6 | Very low | 41.3 | Very low | 186 Ų | 186 | 156.2 Ų | 156.2 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 88.9 | 76.5 | 172.5 | -53.1 | -176.4 | 178.9 | 0 | 0 | 116.1 | ||
| 93 | E | 32.9 | Very low | 42.7 | Very low | 194 Ų | 194 | 154.1 Ų | 154.1 | 91% | 0.907 | 76% | 0.756 | S | S | * | * | trans | -179 | 73.7 | 130.3 | -95 | 166.1 | -159.5 | 0 | 0 | 109.3 | E95 | E93-E95 VanDerWaalsContact C-N 3.32Å; E93-E95 PolarHBondContact O-N 3.46Å | ||
| 94 | E | 38.8 | Very low | 44.4 | Very low | 197 Ų | 197 | 151.9 Ų | 151.9 | 92% | 0.921 | 75% | 0.748 | S | S | * | * | trans | -79.3 | 87.4 | 150.5 | -75.6 | -177.1 | 171.3 | 0 | 0 | 106.2 | ||||
| 95 | E | 38.3 | Very low | 46.9 | Very low | 180 Ų | 180 | 147.3 Ų | 147.3 | 84% | 0.841 | 71% | 0.71 | S | S | * | * | S | Bend | trans | 169.2 | 80.4 | 158.6 | -96.8 | 171.9 | -153.2 | 0 | 0 | 108.9 | E93 | E93-E95 VanDerWaalsContact C-N 3.32Å; E93-E95 PolarHBondContact O-N 3.46Å |
| 96 | E | 32.9 | Very low | 49.3 | Very low | 160 Ų | 160 | 139.9 Ų | 139.9 | 75% | 0.748 | 68% | 0.676 | S | S | * | * | trans | 164.6 | 76.3 | 147.5 | -90.6 | 171.6 | -160.7 | 0 | 0 | 107.6 | E98 | E96-E98 HydrophobicContact CB-CG 4.29Å; E96-E98 HydrophobicContact CG-CG 4.33Å; E96-E98 PolarHBondContact O-N 3.26Å | ||
| 97 | E | 35.2 | Very low | 51.5 | Low | 199 Ų | 199 | 134.4 Ų | 134.4 | 93% | 0.93 | 65% | 0.65 | S | S | * | * | trans | -65.4 | 71.5 | 146.5 | -71.6 | -175.5 | 166.6 | 0 | 0 | 106.5 | D99 | E97-D99 PolarHBondContact O-N 3.27Š| ||
| 98 | E | 36 | Very low | 53.9 | Low | 151 Ų | 151 | 129.5 Ų | 129.5 | 71% | 0.706 | 63% | 0.626 | S | S | * | * | trans | -70.1 | 115.5 | 158.7 | -78.9 | -165.5 | 156.2 | 0 | 0 | 105.6 | E96 E100 | E96-E98 HydrophobicContact CB-CG 4.29Å; E96-E98 HydrophobicContact CG-CG 4.33Å; E96-E98 PolarHBondContact O-N 3.26Å; E98-E100 PolarHBondContact O-N 3.37Å | ||
| 99 | D | 39.5 | Very low | 56.5 | Low | 135 Ų | 135 | 120.9 Ų | 120.9 | 72% | 0.722 | 59% | 0.585 | S | S | * | * | trans | -34.3 | 129.3 | 173 | -64.8 | -60.8 | 0 | 0 | 0 | 110.8 | E97 D101 | E97-D99 PolarHBondContact O-N 3.27Å; D99-D101 PolarHBondContact O-N 3.44Å | ||
| 100 | E | 48.6 | Very low | 59.3 | Low | 164 Ų | 164 | 111.7 Ų | 111.7 | 77% | 0.766 | 54% | 0.542 | S | S | * | . | trans | -64.3 | 58.4 | 173 | -77.9 | -172.9 | 144.4 | 0 | 0 | 110.8 | E98 D102 Q144 | E98-E100 PolarHBondContact O-N 3.37Å; E100-D102 PolarHBondContact O-N 3.37Å; E100-Q144 PolarHBondContact OE2-NE2 3.45Å | ||
| 101 | D | 51.9 | Low | 61.9 | Low | 137 Ų | 137 | 104.8 Ų | 104.8 | 73% | 0.733 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -74.1 | 126.4 | -179 | -87.4 | -19.4 | 0 | 0 | 0 | 109.9 | D99 H103 | D99-D101 PolarHBondContact O-N 3.44Å; D101-H103 PolarHBondContact O-N 3.05Å |
| 102 | D | 60.5 | Low | 64.5 | Low | 38 Ų | 38 | 97.3 Ų | 97.3 | 20% | 0.203 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -48.8 | 123.5 | 171.4 | -90.3 | -43 | 0 | 0 | 0 | 110.7 | E100 I145 D146 | E100-D102 PolarHBondContact O-N 3.37Å; D102-I145 WeakPolarHBondContact OD2-CA 3.46Å; D102-I145 WeakPolarHBondContact OD2-CG2 3.32Å; D102-D146 PolarHBondContact OD2-N 3.34Å |
| 103 | H | 77.6 | Confident | 67.3 | Low | 53 Ų | 53 | 88.4 Ų | 88.4 | 25% | 0.245 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -48.6 | 130 | -177.6 | 177.9 | -85.7 | 0 | 0 | 0 | 111.4 | Y34 F78 D101 F105 L106 | Y34-H103 AromaticContact CE1-CE1 3.31Å; Y34-H103 WeakPolarHBondContact CE1-CE1 3.31Å; Y34-H103 AromaticContact CE1-NE2 3.7Å; F78-H103 HydrophobicContact CB-CB 3.98Å; F78-H103 AromaticContact CD1-CD2 3.87Å; F78-H103 AromaticContact CD1-CE1 3.18Å; F78-H103 WeakPolarHBondContact CD1-CE1 3.45Å; F78-H103 AromaticContact CD1-ND1 3.85Å; F78-H103 AromaticContact CD1-NE2 3.17Å; F78-H103 WeakPolarHBondContact CD1-NE2 3.25Å; F78-H103 AromaticContact CD2-CE1 3.82Å; F78-H103 AromaticContact CD2-ND1 3.93Å; F78-H103 AromaticContact CE1-CE1 3.57Å; F78-H103 AromaticContact CE1-NE2 3.72Å; F78-H103 AromaticContact CG-CE1 3.31Å; F78-H103 WeakPolarHBondContact CG-CE1 3.36Å; F78-H103 AromaticContact CG-CG 3.94Å; F78-H103 AromaticContact CG-ND1 3.5Å; F78-H103 AromaticContact CG-NE2 3.66Å; D101-H103 PolarHBondContact O-N 3.05Å; H103-F105 WeakPolarHBondContact ND1-CB 3.31Å; H103-F105 PolarHBondContact ND1-N 3.3Å; H103-F105 PolarHBondContact O-N 3.33Å; H103-L106 WeakPolarHBondContact O-CB 3.45Å; H103-L106 PolarHBondContact O-N 3.05Å |
| 104 | P | 83 | Confident | 70.3 | Confident | 84 Ų | 84 | 80 Ų | 80 | 55% | 0.545 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -52.8 | -31.1 | -166.4 | -31.4 | 34.2 | 0 | 0 | 0 | 115.5 | F108 | P104-F108 VanDerWaalsContact O-CB 3.26Å; P104-F108 WeakPolarHBondContact O-CB 3.48Å; P104-F108 PolarHBondContact O-N 2.75Å; P104-F108 VanDerWaalsContact O-N 3.08Å |
| 105 | F | 89.3 | Confident | 73 | Confident | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67 | -37 | 176.1 | -170.1 | -93.4 | 0 | 0 | 0 | 113.8 | Y34 F43 H44 F47 F74 A75 F78 H103 F108 I109 | Y34-F105 HydrophobicContact CD2-CD2 4.36Å; Y34-F105 HydrophobicContact CE1-CB 4.31Å; Y34-F105 HydrophobicContact CE2-CB 4.44Å; Y34-F105 AromaticContact CE2-CD2 3.8Å; Y34-F105 HydrophobicContact CE2-CD2 3.8Å; F43-F105 HydrophobicContact CD1-CE2 4.23Å; F43-F105 HydrophobicContact CE1-CD2 4.34Å; F43-F105 AromaticContact CE1-CE2 3.82Å; F43-F105 HydrophobicContact CE1-CE2 3.82Å; H44-F105 AromaticContact CD2-CD2 3.61Å; H44-F105 AromaticContact CD2-CE2 3.99Å; H44-F105 AromaticContact NE2-CD2 3.62Å; F47-F105 HydrophobicContact CD1-CE2 4.45Å; F47-F105 AromaticContact CD1-CZ 3.9Å; F47-F105 HydrophobicContact CD1-CZ 3.9Å; F47-F105 HydrophobicContact CD2-CE2 4.16Å; F47-F105 AromaticContact CD2-CZ 3.87Å; F47-F105 HydrophobicContact CD2-CZ 3.87Å; F47-F105 AromaticContact CE1-CZ 3.81Å; F47-F105 HydrophobicContact CE1-CZ 3.81Å; F47-F105 AromaticContact CE2-CZ 3.81Å; F47-F105 HydrophobicContact CE2-CZ 3.81Å; F47-F105 HydrophobicContact CG-CE2 4.17Å; F47-F105 AromaticContact CG-CZ 3.95Å; F47-F105 HydrophobicContact CG-CZ 3.95Å; F47-F105 HydrophobicContact CZ-CE1 4.44Å; F47-F105 AromaticContact CZ-CZ 3.78Å; F47-F105 HydrophobicContact CZ-CZ 3.78Å; F74-F105 HydrophobicContact CD1-CD1 4.41Å; F74-F105 AromaticContact CD1-CE1 3.64Å; F74-F105 HydrophobicContact CD1-CE1 3.64Å; F74-F105 AromaticContact CD1-CZ 3.74Å; F74-F105 HydrophobicContact CD1-CZ 3.74Å; F74-F105 HydrophobicContact CE1-CD1 4.16Å; F74-F105 HydrophobicContact CE1-CD2 4.3Å; F74-F105 AromaticContact CE1-CE1 3.62Å; F74-F105 HydrophobicContact CE1-CE1 3.62Å; F74-F105 AromaticContact CE1-CE2 3.8Å; F74-F105 HydrophobicContact CE1-CE2 3.8Å; F74-F105 HydrophobicContact CE1-CG 4.49Å; F74-F105 AromaticContact CE1-CZ 3.44Å; F74-F105 HydrophobicContact CE1-CZ 3.44Å; F74-F105 VanDerWaalsContact CE1-CZ 3.44Å; A75-F105 HydrophobicContact CB-CD1 4.21Å; A75-F105 HydrophobicContact CB-CE1 3.88Å; F78-F105 HydrophobicContact CD2-CB 4.35Å; F78-F105 HydrophobicContact CD2-CD1 4.24Å; F78-F105 HydrophobicContact CE2-CB 4.22Å; F78-F105 AromaticContact CE2-CD1 3.91Å; F78-F105 HydrophobicContact CE2-CD1 3.91Å; F78-F105 HydrophobicContact CE2-CG 4.08Å; H103-F105 WeakPolarHBondContact ND1-CB 3.31Å; H103-F105 PolarHBondContact ND1-N 3.3Å; H103-F105 PolarHBondContact O-N 3.33Å; F105-F108 HydrophobicContact CE2-CD1 4.47Å; F105-I109 PolarHBondContact O-N 3.13Å |
| 106 | L | 88.3 | Confident | 75.8 | Confident | 5 Ų | 5 | 69.4 Ų | 69.4 | 3% | 0.026 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -71.4 | -46.1 | -177.2 | -172.5 | 62.7 | 0 | 0 | 0 | 110.6 | A75 H103 F108 I109 F110 L135 M139 | A75-L106 HydrophobicContact CB-CD1 4.44Å; H103-L106 WeakPolarHBondContact O-CB 3.45Å; H103-L106 PolarHBondContact O-N 3.05Å; L106-F108 PolarHBondContact O-N 2.98Å; L106-I109 HydrophobicContact CD1-CG2 4.34Å; L106-I109 VanDerWaalsContact O-CG2 3.27Å; L106-I109 WeakPolarHBondContact O-CG2 3.27Å; L106-I109 PolarHBondContact O-N 3.48Å; L106-F110 HydrophobicContact CD1-CD2 4.03Å; L106-F110 HydrophobicContact CD1-CE2 3.6Å; L106-F110 HydrophobicContact CD1-CZ 4.41Å; L106-F110 HydrophobicContact CD2-CE2 4.25Å; L106-F110 HydrophobicContact CG-CD2 3.92Å; L106-F110 HydrophobicContact CG-CE2 3.69Å; L106-F110 VanDerWaalsContact O-CD2 3.24Å; L106-F110 WeakPolarHBondContact O-CD2 3.37Å; L106-F110 PolarHBondContact O-N 3.03Å; L106-L135 HydrophobicContact CD1-CD2 4.46Å; L106-M139 HydrophobicContact CD2-CE 4.22Å; L106-M139 HydrophobicContact CD2-SD 4.48Å |
| 107 | S | 88.9 | Confident | 78.9 | Confident | 37 Ų | 37 | 63.3 Ų | 63.3 | 26% | 0.259 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 172.5 | -178.6 | 0 | 0 | 0 | 0 | 111.3 | I109 F110 N111 | S107-I109 PolarHBondContact O-N 3.32Å; S107-F110 PolarHBondContact O-N 2.91Å; S107-N111 WeakPolarHBondContact O-CB 3.24Å; S107-N111 VanDerWaalsContact O-CG 3.27Å; S107-N111 PolarHBondContact O-N 2.91Å; S107-N111 PolarHBondContact O-ND2 3.33Å; S107-N111 PolarHBondContact OG-ND2 2.83Å |
| 108 | F | 92.8 | Very high | 81.7 | Confident | 53 Ų | 53 | 61.2 Ų | 61.2 | 23% | 0.232 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -54.4 | -51.2 | 175.2 | 166.8 | -103.2 | 0 | 0 | 0 | 112.7 | H44 V48 P104 F105 L106 N111 F112 | H44-F108 HydrophobicContact CB-CD1 3.95Å; H44-F108 HydrophobicContact CB-CD2 4.04Å; H44-F108 HydrophobicContact CB-CE1 3.57Å; H44-F108 HydrophobicContact CB-CE2 3.68Å; H44-F108 HydrophobicContact CB-CG 4.18Å; H44-F108 HydrophobicContact CB-CZ 3.44Å; H44-F108 VanDerWaalsContact CB-CZ 3.44Å; H44-F108 AromaticContact CD2-CD1 3.75Å; H44-F108 AromaticContact CE1-CG 3.94Å; H44-F108 AromaticContact CG-CD1 3.68Å; H44-F108 AromaticContact CG-CD2 3.98Å; H44-F108 AromaticContact CG-CE1 3.85Å; H44-F108 AromaticContact CG-CG 3.76Å; H44-F108 AromaticContact ND1-CD2 3.78Å; H44-F108 AromaticContact ND1-CG 3.67Å; H44-F108 WeakPolarHBondContact O-CZ 3.34Å; V48-F108 HydrophobicContact CB-CZ 4.49Å; V48-F108 HydrophobicContact CG2-CE1 3.71Å; V48-F108 HydrophobicContact CG2-CZ 3.49Å; V48-F108 VanDerWaalsContact CG2-CZ 3.49Å; P104-F108 VanDerWaalsContact O-CB 3.26Å; P104-F108 WeakPolarHBondContact O-CB 3.48Å; P104-F108 PolarHBondContact O-N 2.75Å; P104-F108 VanDerWaalsContact O-N 3.08Å; F105-F108 HydrophobicContact CE2-CD1 4.47Å; L106-F108 PolarHBondContact O-N 2.98Å; F108-N111 PolarHBondContact O-N 3.48Å; F108-F112 PolarHBondContact O-N 3.41Å |
| 109 | I | 94.8 | Very high | 84.6 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.8 | -38.2 | -175.8 | -164.9 | 65.9 | 0 | 0 | 0 | 111.5 | F47 L51 A75 F105 L106 S107 F112 L113 L135 | F47-I109 HydrophobicContact CD1-CD1 4.43Å; F47-I109 HydrophobicContact CE1-CD1 4.27Å; L51-I109 HydrophobicContact CD2-CD1 3.81Å; A75-I109 HydrophobicContact CB-CG2 4.23Å; F105-I109 PolarHBondContact O-N 3.13Å; L106-I109 HydrophobicContact CD1-CG2 4.34Å; L106-I109 VanDerWaalsContact O-CG2 3.27Å; L106-I109 WeakPolarHBondContact O-CG2 3.27Å; L106-I109 PolarHBondContact O-N 3.48Å; S107-I109 PolarHBondContact O-N 3.32Å; I109-F112 HydrophobicContact CD1-CD1 4.09Å; I109-F112 PolarHBondContact O-N 3.42Å; I109-L113 HydrophobicContact CG1-CD1 4.26Å; I109-L113 WeakPolarHBondContact O-CG 3.49Å; I109-L113 PolarHBondContact O-N 3.31Å; I109-L135 HydrophobicContact CG2-CD1 3.93Å |
| 110 | F | 94.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.6 | -45.8 | 174.6 | -81.3 | -61.9 | 0 | 0 | 0 | 111.4 | L106 S107 F112 L113 L114 I132 L135 L136 M139 L149 I153 | L106-F110 HydrophobicContact CD1-CD2 4.03Å; L106-F110 HydrophobicContact CD1-CE2 3.6Å; L106-F110 HydrophobicContact CD1-CZ 4.41Å; L106-F110 HydrophobicContact CD2-CE2 4.25Å; L106-F110 HydrophobicContact CG-CD2 3.92Å; L106-F110 HydrophobicContact CG-CE2 3.69Å; L106-F110 VanDerWaalsContact O-CD2 3.24Å; L106-F110 WeakPolarHBondContact O-CD2 3.37Å; L106-F110 PolarHBondContact O-N 3.03Å; S107-F110 PolarHBondContact O-N 2.91Å; F110-F112 VanDerWaalsContact C-N 3.34Å; F110-F112 PolarHBondContact O-N 2.97Å; F110-L113 PolarHBondContact O-N 3.13Å; F110-L113 VanDerWaalsContact O-N 3.07Å; F110-L114 VanDerWaalsContact O-CG 3.26Å; F110-L114 WeakPolarHBondContact O-CG 3.47Å; F110-L114 PolarHBondContact O-N 3.46Å; F110-I132 HydrophobicContact CD1-CG1 4.41Å; F110-I132 HydrophobicContact CE1-CG2 4.35Å; F110-L135 HydrophobicContact CD1-CD1 4Å; F110-L135 HydrophobicContact CE1-CB 3.76Å; F110-L135 HydrophobicContact CE1-CD1 3.75Å; F110-L135 HydrophobicContact CE1-CG 4.42Å; F110-L135 HydrophobicContact CE2-CB 4.49Å; F110-L135 HydrophobicContact CZ-CB 3.59Å; F110-L135 HydrophobicContact CZ-CD1 4.09Å; F110-L135 HydrophobicContact CZ-CG 4.47Å; F110-L136 HydrophobicContact CE1-CD2 4.37Å; F110-L136 HydrophobicContact CE1-CG 4.35Å; F110-L136 HydrophobicContact CZ-CD2 3.99Å; F110-L136 HydrophobicContact CZ-CG 4.3Å; F110-M139 HydrophobicContact CE2-SD 4.44Å; F110-M139 HydrophobicContact CZ-SD 4.34Å; F110-L149 HydrophobicContact CB-CD1 3.85Å; F110-L149 HydrophobicContact CB-CD2 4.24Å; F110-L149 HydrophobicContact CD2-CD2 4.08Å; F110-L149 HydrophobicContact CG-CD2 4.48Å; F110-I153 HydrophobicContact CD1-CD1 3.72Å; F110-I153 HydrophobicContact CD1-CG1 4.37Å; F110-I153 HydrophobicContact CD2-CD1 4.41Å; F110-I153 HydrophobicContact CE1-CD1 3.88Å; F110-I153 HydrophobicContact CG-CD1 4.01Å; F110-I153 HydrophobicContact CZ-CD1 4.29Å |
| 111 | N | 94.8 | Very high | 89.6 | Confident | 44 Ų | 44 | 49 Ų | 49 | 24% | 0.235 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.5 | -46.9 | 177.4 | -74.3 | -38.7 | 0 | 0 | 0 | 111.8 | S107 F108 L113 L114 E115 R152 | S107-N111 WeakPolarHBondContact O-CB 3.24Å; S107-N111 VanDerWaalsContact O-CG 3.27Å; S107-N111 PolarHBondContact O-N 2.91Å; S107-N111 PolarHBondContact O-ND2 3.33Å; S107-N111 PolarHBondContact OG-ND2 2.83Å; F108-N111 PolarHBondContact O-N 3.48Å; N111-L113 VanDerWaalsContact C-N 3.32Å; N111-L113 PolarHBondContact O-N 3.42Å; N111-L114 PolarHBondContact O-N 2.8Å; N111-E115 WeakPolarHBondContact O-CG 3.46Å; N111-E115 PolarHBondContact O-N 2.9Å; N111-R152 VanDerWaalsContact OD1-CZ 3.25Å; N111-R152 PolarHBondContact OD1-NH1 2.89Å; N111-R152 PolarHBondContact OD1-NH2 3.34Å |
| 112 | F | 96.8 | Very high | 91.7 | Very high | 25 Ų | 25 | 45.6 Ų | 45.6 | 11% | 0.11 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.7 | -41.4 | 174.9 | 166.3 | -107.1 | 0 | 0 | 0 | 113 | V48 L51 K52 M55 F108 I109 F110 E115 S116 | V48-F112 HydrophobicContact CG1-CD1 4.36Å; V48-F112 HydrophobicContact CG1-CD2 3.7Å; V48-F112 HydrophobicContact CG1-CE1 4.02Å; V48-F112 HydrophobicContact CG1-CE2 3.33Å; V48-F112 HydrophobicContact CG1-CG 4.21Å; V48-F112 HydrophobicContact CG1-CZ 3.5Å; V48-F112 HydrophobicContact CG2-CB 4.34Å; V48-F112 HydrophobicContact CG2-CD1 3.81Å; V48-F112 HydrophobicContact CG2-CD2 4.06Å; V48-F112 HydrophobicContact CG2-CE1 4.12Å; V48-F112 HydrophobicContact CG2-CE2 4.39Å; V48-F112 HydrophobicContact CG2-CG 3.76Å; V48-F112 HydrophobicContact CG2-CZ 4.42Å; L51-F112 HydrophobicContact CD2-CD1 4.42Å; L51-F112 HydrophobicContact CD2-CE1 3.96Å; K52-F112 HydrophobicContact CG-CZ 4.27Å; M55-F112 HydrophobicContact CE-CE1 3.97Å; M55-F112 HydrophobicContact CE-CZ 4.15Å; M55-F112 HydrophobicContact SD-CE1 3.42Å; M55-F112 WeakPolarHBondContact SD-CE1 3.32Å; M55-F112 HydrophobicContact SD-CZ 3.54Å; M55-F112 VanDerWaalsContact SD-CZ 3.54Å; F108-F112 PolarHBondContact O-N 3.41Å; I109-F112 HydrophobicContact CD1-CD1 4.09Å; I109-F112 PolarHBondContact O-N 3.42Å; F110-F112 VanDerWaalsContact C-N 3.34Å; F110-F112 PolarHBondContact O-N 2.97Å; F112-E115 PolarHBondContact O-N 3.38Å; F112-S116 WeakPolarHBondContact CE2-OG 3.45Å; F112-S116 WeakPolarHBondContact O-CB 3.42Å; F112-S116 PolarHBondContact O-N 3.46Å; F112-S116 PolarHBondContact O-OG 2.85Å |
| 113 | L | 97.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.9 | -36 | 179.2 | -64.5 | 170.5 | 0 | 0 | 0 | 111.9 | M55 I109 F110 N111 S116 H117 A128 L131 I132 L135 | M55-L113 HydrophobicContact CE-CD2 3.92Å; I109-L113 HydrophobicContact CG1-CD1 4.26Å; I109-L113 WeakPolarHBondContact O-CG 3.49Å; I109-L113 PolarHBondContact O-N 3.31Å; F110-L113 PolarHBondContact O-N 3.13Å; F110-L113 VanDerWaalsContact O-N 3.07Å; N111-L113 VanDerWaalsContact C-N 3.32Å; N111-L113 PolarHBondContact O-N 3.42Å; L113-S116 CarbonylContact O-C 3.54Å; L113-S116 PolarHBondContact O-N 3.44Å; L113-H117 PolarHBondContact O-N 3.14Å; L113-A128 HydrophobicContact CD2-CB 4.49Å; L113-L131 HydrophobicContact CD1-CB 3.69Å; L113-L131 HydrophobicContact CD2-CB 3.96Å; L113-L131 HydrophobicContact CD2-CD1 3.72Å; L113-I132 HydrophobicContact CB-CD1 4.06Å; L113-I132 HydrophobicContact CB-CG1 3.92Å; L113-I132 HydrophobicContact CD1-CG1 3.97Å; L113-L135 HydrophobicContact CD1-CD1 3.62Å |
| 114 | L | 96.8 | Very high | 94.5 | Very high | 17 Ų | 17 | 42.5 Ų | 42.5 | 9% | 0.089 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.1 | -37.3 | 175 | -66.9 | 170.5 | 0 | 0 | 0 | 111.4 | F110 N111 S116 H117 I132 L149 R152 I153 A156 | F110-L114 VanDerWaalsContact O-CG 3.26Å; F110-L114 WeakPolarHBondContact O-CG 3.47Å; F110-L114 PolarHBondContact O-N 3.46Å; N111-L114 PolarHBondContact O-N 2.8Å; L114-S116 VanDerWaalsContact C-N 3.26Å; L114-S116 PolarHBondContact O-N 2.78Å; L114-H117 PolarHBondContact O-CD2 3.04Å; L114-I132 HydrophobicContact CD2-CD1 4.27Å; L114-L149 HydrophobicContact CD1-CD1 3.82Å; L114-R152 HydrophobicContact CD1-CB 3.98Å; L114-I153 HydrophobicContact CD1-CG1 4.04Å; L114-I153 HydrophobicContact CD2-CG1 4.12Å; L114-I153 HydrophobicContact CG-CG1 4.48Å; L114-A156 HydrophobicContact CD2-CB 3.57Å |
| 115 | E | 96 | Very high | 95.2 | Very high | 137 Ų | 137 | 39.9 Ų | 39.9 | 64% | 0.64 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -65.4 | -34.8 | 170.7 | -70.5 | -179.7 | 177 | 0 | 0 | 112.1 | N111 F112 K118 | N111-E115 WeakPolarHBondContact O-CG 3.46Å; N111-E115 PolarHBondContact O-N 2.9Å; F112-E115 PolarHBondContact O-N 3.38Å; E115-K118 WeakPolarHBondContact O-CG 3.47Å |
| 116 | S | 96.8 | Very high | 95.6 | Very high | 18 Ų | 18 | 40.1 Ų | 40.1 | 13% | 0.126 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -80.5 | -19.2 | -177 | -61.5 | 0 | 0 | 0 | 0 | 113.9 | F112 L113 L114 K118 A119 | F112-S116 WeakPolarHBondContact CE2-OG 3.45Å; F112-S116 WeakPolarHBondContact O-CB 3.42Å; F112-S116 PolarHBondContact O-N 3.46Å; F112-S116 PolarHBondContact O-OG 2.85Å; L113-S116 CarbonylContact O-C 3.54Å; L113-S116 PolarHBondContact O-N 3.44Å; L114-S116 VanDerWaalsContact C-N 3.26Å; L114-S116 PolarHBondContact O-N 2.78Å; S116-K118 PolarHBondContact O-N 3.38Å; S116-K118 VanDerWaalsContact O-N 3.08Å; S116-A119 WeakPolarHBondContact O-CB 3.48Å; S116-A119 PolarHBondContact O-N 3.09Å; S116-A119 VanDerWaalsContact O-N 3.11Å |
| 117 | H | 96.8 | Very high | 96.1 | Very high | 32 Ų | 32 | 39.9 Ų | 39.9 | 15% | 0.148 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -20.2 | -174.5 | 89.8 | 73.3 | 0 | 0 | 0 | 112.7 | L113 L114 R125 A156 R160 | L113-H117 PolarHBondContact O-N 3.14Å; L114-H117 PolarHBondContact O-CD2 3.04Å; H117-R125 VanDerWaalsContact O-CG 3.3Å; H117-R125 WeakPolarHBondContact O-CG 3.38Å; H117-A156 VanDerWaalsContact CD2-CB 3.48Å; H117-A156 WeakPolarHBondContact CD2-CB 3.34Å; H117-R160 HydrophobicContact CB-CG 4.5Å; H117-R160 WeakPolarHBondContact O-CD 3.43Å; H117-R160 PolarHBondContact O-NH1 3.15Å |
| 118 | K | 95.2 | Very high | 96.5 | Very high | 155 Ų | 155 | 38.1 Ų | 38.1 | 67% | 0.674 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 7 | 179.5 | 63.8 | -177.8 | 176.3 | -171.4 | 0 | 114.7 | E115 S116 | E115-K118 WeakPolarHBondContact O-CG 3.47Å; S116-K118 PolarHBondContact O-N 3.38Å; S116-K118 VanDerWaalsContact O-N 3.08Å |
| 119 | A | 96.6 | Very high | 96.8 | Very high | 29 Ų | 29 | 35.6 Ų | 35.6 | 24% | 0.24 | 19% | 0.191 | C | C | . | . | trans | -57.7 | 147.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S116 S121 V124 R125 | S116-A119 WeakPolarHBondContact O-CB 3.48Å; S116-A119 PolarHBondContact O-N 3.09Å; S116-A119 VanDerWaalsContact O-N 3.11Å; A119-S121 VanDerWaalsContact C-N 3.31Å; A119-S121 PolarHBondContact O-N 2.89Å; A119-V124 HydrophobicContact CB-CB 3.87Å; A119-V124 HydrophobicContact CB-CG1 3.61Å; A119-R125 HydrophobicContact CB-CG 4.44Å; A119-R125 WeakPolarHBondContact O-CD 3.4Å; A119-R125 VanDerWaalsContact O-CG 3.26Å; A119-R125 WeakPolarHBondContact O-CG 3.47Å; A119-R125 PolarHBondContact O-NE 2.69Å | ||
| 120 | S | 96 | Very high | 97 | Very high | 122 Ų | 122 | 35.6 Ų | 35.6 | 85% | 0.853 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -61.9 | -40.5 | 175.5 | 56.8 | 0 | 0 | 0 | 0 | 111.7 | H122 R125 | S120-H122 PolarHBondContact O-N 2.95Å; S120-R125 PolarHBondContact O-NH2 3.27Å |
| 121 | S | 97.3 | Very high | 97.1 | Very high | 43 Ų | 43 | 35.7 Ų | 35.7 | 30% | 0.301 | 19% | 0.192 | S | C | . | . | trans | -64.6 | 121 | 176.7 | 179.7 | 0 | 0 | 0 | 0 | 111.9 | A119 A123 V124 R125 | A119-S121 VanDerWaalsContact C-N 3.31Å; A119-S121 PolarHBondContact O-N 2.89Å; S121-A123 PolarHBondContact O-N 3.39Å; S121-A123 PolarHBondContact OG-N 3.45Å; S121-V124 PolarHBondContact O-N 3.11Å; S121-R125 PolarHBondContact O-N 3.05Å | ||
| 122 | H | 96.5 | Very high | 97.3 | Very high | 64 Ų | 64 | 33.6 Ų | 33.6 | 30% | 0.296 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.6 | -27.4 | 174.8 | 67.8 | -81.5 | 0 | 0 | 0 | 112.7 | Y58 S120 F126 F165 | Y58-H122 AromaticContact CD1-NE2 3.89Å; Y58-H122 AromaticContact CD2-CD2 3.62Å; Y58-H122 AromaticContact CE2-CD2 3.82Å; Y58-H122 AromaticContact CG-CD2 3.77Å; Y58-H122 AromaticContact CG-NE2 3.73Å; S120-H122 PolarHBondContact O-N 2.95Å; H122-F126 VanDerWaalsContact O-CB 3.31Å; H122-F126 WeakPolarHBondContact O-CB 3.46Å; H122-F126 PolarHBondContact O-N 3.46Å; H122-F165 HydrophobicContact CB-CD1 4.13Å; H122-F165 HydrophobicContact CB-CD2 3.63Å; H122-F165 HydrophobicContact CB-CE1 4.12Å; H122-F165 HydrophobicContact CB-CE2 3.62Å; H122-F165 HydrophobicContact CB-CG 3.89Å; H122-F165 HydrophobicContact CB-CZ 3.86Å; H122-F165 AromaticContact CD2-CE1 3.97Å; H122-F165 AromaticContact CG-CE1 3.86Å; H122-F165 AromaticContact CG-CZ 3.87Å |
| 123 | A | 97.4 | Very high | 97.3 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 3% | 0.033 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.9 | -48.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | M55 I56 S121 F126 R127 | M55-A123 CarbonylContact O-C 3.32Å; M55-A123 VanDerWaalsContact O-C 3.32Å; I56-A123 VanDerWaalsContact O-CB 3.28Å; I56-A123 WeakPolarHBondContact O-CB 3.42Å; S121-A123 PolarHBondContact O-N 3.39Å; S121-A123 PolarHBondContact OG-N 3.45Å; A123-F126 WeakPolarHBondContact O-CB 3.33Å; A123-F126 PolarHBondContact O-N 3.23Å; A123-R127 WeakPolarHBondContact O-CG 3.42Å; A123-R127 PolarHBondContact O-N 3.08Å |
| 124 | V | 98.1 | Very high | 97.1 | Very high | 22 Ų | 22 | 36.6 Ų | 36.6 | 13% | 0.133 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.5 | -45.4 | -179.9 | 177.2 | 0 | 0 | 0 | 0 | 110.5 | M55 I56 A119 S121 F126 R127 A128 | M55-V124 HydrophobicContact CE-CG1 4.18Å; M55-V124 WeakPolarHBondContact O-CA 3.37Å; M55-V124 PolarHBondContact O-N 3.26Å; I56-V124 HydrophobicContact CG2-CG2 4.18Å; A119-V124 HydrophobicContact CB-CB 3.87Å; A119-V124 HydrophobicContact CB-CG1 3.61Å; S121-V124 PolarHBondContact O-N 3.11Å; V124-F126 VanDerWaalsContact C-N 3.33Å; V124-F126 PolarHBondContact O-N 3.38Å; V124-R127 PolarHBondContact O-N 3.41Å; V124-A128 VanDerWaalsContact O-CB 3.32Å; V124-A128 WeakPolarHBondContact O-CB 3.44Å; V124-A128 PolarHBondContact O-N 3.47Å |
| 125 | R | 98.3 | Very high | 97 | Very high | 30 Ų | 30 | 35.8 Ų | 35.8 | 11% | 0.113 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.8 | -44 | 175.7 | -67.3 | -171.7 | -88.6 | 119.2 | 1.3 | 112.4 | H117 A119 S120 S121 C129 D163 V168 | H117-R125 VanDerWaalsContact O-CG 3.3Å; H117-R125 WeakPolarHBondContact O-CG 3.38Å; A119-R125 HydrophobicContact CB-CG 4.44Å; A119-R125 WeakPolarHBondContact O-CD 3.4Å; A119-R125 VanDerWaalsContact O-CG 3.26Å; A119-R125 WeakPolarHBondContact O-CG 3.47Å; A119-R125 PolarHBondContact O-NE 2.69Å; S120-R125 PolarHBondContact O-NH2 3.27Å; S121-R125 PolarHBondContact O-N 3.05Å; R125-C129 PolarHBondContact O-N 3.26Å; R125-C129 VanDerWaalsContact O-N 3.1Å; R125-C129 PolarHBondContact O-SG 3.19Å; R125-D163 IonicContact CZ-OD1 3.56Å; R125-D163 IonicContact CZ-OD2 3.18Å; R125-D163 IonicContact NH1-OD1 3.47Å; R125-D163 PolarHBondContact NH1-OD1 3.08Å; R125-D163 IonicContact NH1-OD2 3.41Å; R125-D163 PolarHBondContact NH1-OD2 3Å; R125-V168 HydrophobicContact CB-CG1 4.21Å; R125-V168 HydrophobicContact CB-CG2 4.29Å |
| 126 | F | 98.3 | Very high | 96.8 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 2% | 0.018 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.8 | -49.5 | 175.7 | 166.5 | -108.5 | 0 | 0 | 0 | 111.7 | Y58 H122 A123 V124 C129 Q130 N167 V168 Q171 | Y58-F126 HydrophobicContact CD2-CB 4Å; Y58-F126 HydrophobicContact CD2-CD1 4.01Å; Y58-F126 HydrophobicContact CD2-CG 4.06Å; Y58-F126 HydrophobicContact CE2-CB 4.06Å; Y58-F126 HydrophobicContact CE2-CD1 4.39Å; Y58-F126 HydrophobicContact CE2-CG 4.07Å; H122-F126 VanDerWaalsContact O-CB 3.31Å; H122-F126 WeakPolarHBondContact O-CB 3.46Å; H122-F126 PolarHBondContact O-N 3.46Å; A123-F126 WeakPolarHBondContact O-CB 3.33Å; A123-F126 PolarHBondContact O-N 3.23Å; V124-F126 VanDerWaalsContact C-N 3.33Å; V124-F126 PolarHBondContact O-N 3.38Å; F126-C129 PolarHBondContact O-N 3.04Å; F126-Q130 VanDerWaalsContact O-CB 3.32Å; F126-Q130 WeakPolarHBondContact O-CB 3.45Å; F126-Q130 PolarHBondContact O-N 3.01Å; F126-N167 HydrophobicContact CD2-CB 3.89Å; F126-N167 WeakPolarHBondContact CD2-O 3.24Å; F126-N167 HydrophobicContact CE2-CB 4.01Å; F126-V168 HydrophobicContact CB-CG2 3.93Å; F126-Q171 HydrophobicContact CD2-CG 3.78Å; F126-Q171 HydrophobicContact CE2-CG 3.49Å; F126-Q171 VanDerWaalsContact CE2-CG 3.49Å; F126-Q171 HydrophobicContact CZ-CG 4.45Å |
| 127 | R | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.4 | -36.1 | -178.4 | -67.4 | -65.4 | -174.5 | -169.1 | -1.5 | 112.7 | M55 V57 K59 E65 A123 V124 Q130 L131 | M55-R127 HydrophobicContact CB-CB 4.25Å; M55-R127 HydrophobicContact CG-CB 4.27Å; M55-R127 WeakPolarHBondContact O-CG 3.37Å; V57-R127 VanDerWaalsContact O-CZ 3.3Å; V57-R127 PolarHBondContact O-NE 3.35Å; V57-R127 PolarHBondContact O-NH2 3.35Å; K59-R127 PolarHBondContact O-NH2 3.06Å; E65-R127 IonicContact OE1-CZ 3.68Å; E65-R127 IonicContact OE1-NH1 3.3Å; E65-R127 PolarHBondContact OE1-NH1 3.3Å; E65-R127 IonicContact OE1-NH2 2.64Å; E65-R127 PolarHBondContact OE1-NH2 2.97Å; A123-R127 WeakPolarHBondContact O-CG 3.42Å; A123-R127 PolarHBondContact O-N 3.08Å; V124-R127 PolarHBondContact O-N 3.41Å; R127-Q130 VanDerWaalsContact CD-OE1 3.32Å; R127-Q130 PolarHBondContact O-N 3.45Å; R127-L131 WeakPolarHBondContact O-CB 3.13Å; R127-L131 WeakPolarHBondContact O-CG 3.19Å; R127-L131 PolarHBondContact O-N 2.94Å |
| 128 | A | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60 | -52.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | M55 L113 V124 Q130 L131 I132 | M55-A128 HydrophobicContact CE-CB 4.25Å; L113-A128 HydrophobicContact CD2-CB 4.49Å; V124-A128 VanDerWaalsContact O-CB 3.32Å; V124-A128 WeakPolarHBondContact O-CB 3.44Å; V124-A128 PolarHBondContact O-N 3.47Å; A128-Q130 VanDerWaalsContact C-N 3.32Å; A128-Q130 PolarHBondContact O-N 3.37Å; A128-L131 PolarHBondContact O-N 3.4Å; A128-I132 WeakPolarHBondContact O-CG1 3.42Å; A128-I132 PolarHBondContact O-N 3.47Å |
| 129 | C | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.1 | -37.8 | 177.2 | -58.7 | 0 | 0 | 0 | 0 | 112.1 | R125 F126 I132 N133 M157 Q171 | R125-C129 PolarHBondContact O-N 3.26Å; R125-C129 VanDerWaalsContact O-N 3.1Å; R125-C129 PolarHBondContact O-SG 3.19Å; F126-C129 PolarHBondContact O-N 3.04Å; C129-I132 PolarHBondContact O-N 3.47Å; C129-N133 VanDerWaalsContact O-CB 3.3Å; C129-N133 WeakPolarHBondContact O-CB 3.43Å; C129-N133 PolarHBondContact O-N 3.17Å; C129-M157 HydrophobicContact CB-SD 4.25Å; C129-Q171 HydrophobicContact CB-CB 3.61Å |
| 130 | Q | 98 | Very high | 95 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.009 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.8 | -42.1 | 177.8 | -172.7 | -174.2 | 32.3 | 0 | 0 | 112.1 | E65 I68 F126 R127 A128 K134 Q171 | E65-Q130 PolarHBondContact OE2-NE2 3.12Å; I68-Q130 HydrophobicContact CG2-CG 4.39Å; F126-Q130 VanDerWaalsContact O-CB 3.32Å; F126-Q130 WeakPolarHBondContact O-CB 3.45Å; F126-Q130 PolarHBondContact O-N 3.01Å; R127-Q130 VanDerWaalsContact CD-OE1 3.32Å; R127-Q130 PolarHBondContact O-N 3.45Å; A128-Q130 VanDerWaalsContact C-N 3.32Å; A128-Q130 PolarHBondContact O-N 3.37Å; Q130-K134 HydrophobicContact CG-CD 4.45Å; Q130-K134 WeakPolarHBondContact O-CB 3.49Å; Q130-K134 WeakPolarHBondContact O-CG 3.41Å; Q130-K134 PolarHBondContact O-N 3.44Å; Q130-Q171 HydrophobicContact CB-CG 3.96Å; Q130-Q171 HydrophobicContact CG-CG 4.44Å |
| 131 | L | 97.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.9 | -46.8 | 176.7 | -79.4 | 163.6 | 0 | 0 | 0 | 110.5 | L51 I68 V71 L113 R127 A128 N133 K134 L135 | L51-L131 HydrophobicContact CD1-CD1 4.02Å; L51-L131 HydrophobicContact CD2-CD1 4.17Å; L51-L131 HydrophobicContact CG-CD1 4.47Å; I68-L131 HydrophobicContact CB-CD2 4.5Å; I68-L131 HydrophobicContact CD1-CD1 3.92Å; I68-L131 HydrophobicContact CD1-CD2 4.06Å; I68-L131 HydrophobicContact CD1-CG 4Å; I68-L131 HydrophobicContact CG2-CD2 3.78Å; I68-L131 HydrophobicContact CG2-CG 4.19Å; V71-L131 HydrophobicContact CB-CD2 4.29Å; V71-L131 HydrophobicContact CG1-CD2 3.88Å; L113-L131 HydrophobicContact CD1-CB 3.69Å; L113-L131 HydrophobicContact CD2-CB 3.96Å; L113-L131 HydrophobicContact CD2-CD1 3.72Å; R127-L131 WeakPolarHBondContact O-CB 3.13Å; R127-L131 WeakPolarHBondContact O-CG 3.19Å; R127-L131 PolarHBondContact O-N 2.94Å; A128-L131 PolarHBondContact O-N 3.4Å; L131-N133 VanDerWaalsContact C-N 3.3Å; L131-N133 PolarHBondContact O-N 3.22Å; L131-K134 PolarHBondContact O-N 3.07Å; L131-L135 WeakPolarHBondContact O-CB 3.46Å; L131-L135 WeakPolarHBondContact O-CG 3.48Å; L131-L135 PolarHBondContact O-N 2.66Å |
| 132 | I | 97.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -54.2 | -48.2 | 175 | -67.7 | 169.9 | 0 | 0 | 0 | 110.6 | F110 L113 L114 A128 C129 K134 L135 L136 I153 M157 A175 | F110-I132 HydrophobicContact CD1-CG1 4.41Å; F110-I132 HydrophobicContact CE1-CG2 4.35Å; L113-I132 HydrophobicContact CB-CD1 4.06Å; L113-I132 HydrophobicContact CB-CG1 3.92Å; L113-I132 HydrophobicContact CD1-CG1 3.97Å; L114-I132 HydrophobicContact CD2-CD1 4.27Å; A128-I132 WeakPolarHBondContact O-CG1 3.42Å; A128-I132 PolarHBondContact O-N 3.47Å; C129-I132 PolarHBondContact O-N 3.47Å; I132-K134 PolarHBondContact O-N 3.08Å; I132-L135 PolarHBondContact O-N 3.02Å; I132-L136 HydrophobicContact CG2-CD1 3.89Å; I132-L136 HydrophobicContact CG2-CG 4.42Å; I132-L136 WeakPolarHBondContact O-CG 3.49Å; I132-L136 PolarHBondContact O-N 3.18Å; I132-I153 HydrophobicContact CG2-CG2 3.98Å; I132-M157 HydrophobicContact CD1-CE 3.58Å; I132-M157 HydrophobicContact CD1-SD 4.37Å; I132-M157 HydrophobicContact CG2-CG 4.41Å; I132-M157 HydrophobicContact CG2-SD 4.23Å; I132-A175 HydrophobicContact CG2-CB 4.11Å |
| 133 | N | 96.8 | Very high | 92.3 | Very high | 32 Ų | 32 | 30 Ų | 30 | 17% | 0.171 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -54.6 | -50.3 | 174.4 | 172.4 | 26 | 0 | 0 | 0 | 112.5 | C129 L131 L135 G137 Q171 L174 A175 | C129-N133 VanDerWaalsContact O-CB 3.3Å; C129-N133 WeakPolarHBondContact O-CB 3.43Å; C129-N133 PolarHBondContact O-N 3.17Å; L131-N133 VanDerWaalsContact C-N 3.3Å; L131-N133 PolarHBondContact O-N 3.22Å; N133-L135 PolarHBondContact O-N 3.01Å; N133-G137 PolarHBondContact O-N 3.21Å; N133-Q171 PolarHBondContact ND2-OE1 3.29Å; N133-L174 VanDerWaalsContact ND2-CB 3.3Å; N133-L174 WeakPolarHBondContact ND2-CB 3.49Å; N133-A175 HydrophobicContact CB-CB 3.87Å |
| 134 | K | 95.4 | Very high | 91.3 | Very high | 56 Ų | 56 | 36.3 Ų | 36.3 | 24% | 0.243 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.4 | -34.2 | -179.2 | -77.5 | 179.5 | 167.3 | -67 | 0 | 113.5 | I68 E69 A72 Q130 L131 I132 G138 | I68-K134 HydrophobicContact CG2-CD 3.65Å; E69-K134 IonicContact OE2-NZ 2.97Å; E69-K134 PolarHBondContact OE2-NZ 3.2Å; A72-K134 HydrophobicContact CB-CB 3.72Å; A72-K134 HydrophobicContact CB-CD 4.44Å; Q130-K134 HydrophobicContact CG-CD 4.45Å; Q130-K134 WeakPolarHBondContact O-CB 3.49Å; Q130-K134 WeakPolarHBondContact O-CG 3.41Å; Q130-K134 PolarHBondContact O-N 3.44Å; L131-K134 PolarHBondContact O-N 3.07Å; I132-K134 PolarHBondContact O-N 3.08Å; K134-G138 PolarHBondContact O-N 3.19Å |
| 135 | L | 93.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.6 | -56.7 | 175.5 | -68.6 | 173.3 | 0 | 0 | 0 | 109.3 | A72 A75 T76 L106 I109 F110 L113 L131 I132 N133 G137 G138 M139 | A72-L135 HydrophobicContact CB-CD2 4.46Å; A75-L135 HydrophobicContact CB-CD2 3.35Å; T76-L135 HydrophobicContact CG2-CD2 4.24Å; L106-L135 HydrophobicContact CD1-CD2 4.46Å; I109-L135 HydrophobicContact CG2-CD1 3.93Å; F110-L135 HydrophobicContact CD1-CD1 4Å; F110-L135 HydrophobicContact CE1-CB 3.76Å; F110-L135 HydrophobicContact CE1-CD1 3.75Å; F110-L135 HydrophobicContact CE1-CG 4.42Å; F110-L135 HydrophobicContact CE2-CB 4.49Å; F110-L135 HydrophobicContact CZ-CB 3.59Å; F110-L135 HydrophobicContact CZ-CD1 4.09Å; F110-L135 HydrophobicContact CZ-CG 4.47Å; L113-L135 HydrophobicContact CD1-CD1 3.62Å; L131-L135 WeakPolarHBondContact O-CB 3.46Å; L131-L135 WeakPolarHBondContact O-CG 3.48Å; L131-L135 PolarHBondContact O-N 2.66Å; I132-L135 PolarHBondContact O-N 3.02Å; N133-L135 PolarHBondContact O-N 3.01Å; L135-G137 VanDerWaalsContact C-N 3.26Å; L135-G137 PolarHBondContact O-N 3.49Å; L135-G138 PolarHBondContact O-N 3.45Å; L135-M139 VanDerWaalsContact O-CG 3.31Å; L135-M139 WeakPolarHBondContact O-CG 2.96Å; L135-M139 PolarHBondContact O-N 3.23Å |
| 136 | L | 92.2 | Very high | 90 | Very high | 7 Ų | 7 | 39.5 Ų | 39.5 | 4% | 0.037 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.9 | -37.5 | 178.2 | -66.6 | 173.5 | 0 | 0 | 0 | 112.8 | F110 I132 M139 I145 I153 A175 R178 L179 | F110-L136 HydrophobicContact CE1-CD2 4.37Å; F110-L136 HydrophobicContact CE1-CG 4.35Å; F110-L136 HydrophobicContact CZ-CD2 3.99Å; F110-L136 HydrophobicContact CZ-CG 4.3Å; I132-L136 HydrophobicContact CG2-CD1 3.89Å; I132-L136 HydrophobicContact CG2-CG 4.42Å; I132-L136 WeakPolarHBondContact O-CG 3.49Å; I132-L136 PolarHBondContact O-N 3.18Å; L136-M139 HydrophobicContact CD2-SD 4.23Å; L136-I145 HydrophobicContact CD2-CD1 3.69Å; L136-I153 HydrophobicContact CD1-CG2 4.08Å; L136-A175 HydrophobicContact CD1-CB 4.45Å; L136-A175 WeakPolarHBondContact CD1-O 3.46Å; L136-R178 WeakPolarHBondContact O-CD 3.39Å; L136-R178 PolarHBondContact O-NH1 3.36Å; L136-L179 HydrophobicContact CD1-CD1 4.47Å |
| 137 | G | 90.2 | Very high | 89.4 | Confident | 57 Ų | 57 | 45.3 Ų | 45.3 | 59% | 0.588 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -76.8 | -18.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | N133 L135 | N133-G137 PolarHBondContact O-N 3.21Å; L135-G137 VanDerWaalsContact C-N 3.26Å; L135-G137 PolarHBondContact O-N 3.49Å |
| 138 | G | 87.4 | Confident | 89 | Confident | 40 Ų | 40 | 50.8 Ų | 50.8 | 41% | 0.412 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -92.8 | -6.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | K134 L135 | K134-G138 PolarHBondContact O-N 3.19Å; L135-G138 PolarHBondContact O-N 3.45Å |
| 139 | M | 87.2 | Confident | 88.7 | Confident | 12 Ų | 12 | 50.9 Ų | 50.9 | 6% | 0.059 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -81.6 | 151.8 | 176.3 | -67.2 | 167.6 | 72.1 | 0 | 0 | 111.8 | T76 L106 F110 L135 L136 A143 I145 R178 | T76-M139 HydrophobicContact CG2-CG 4.21Å; L106-M139 HydrophobicContact CD2-CE 4.22Å; L106-M139 HydrophobicContact CD2-SD 4.48Å; F110-M139 HydrophobicContact CE2-SD 4.44Å; F110-M139 HydrophobicContact CZ-SD 4.34Å; L135-M139 VanDerWaalsContact O-CG 3.31Å; L135-M139 WeakPolarHBondContact O-CG 2.96Å; L135-M139 PolarHBondContact O-N 3.23Å; L136-M139 HydrophobicContact CD2-SD 4.23Å; M139-A143 HydrophobicContact CB-CB 4.05Å; M139-A143 HydrophobicContact CE-CB 3.84Å; M139-I145 HydrophobicContact CE-CD1 3.64Å; M139-I145 HydrophobicContact CE-CG1 3.43Å; M139-I145 VanDerWaalsContact CE-CG1 3.43Å; M139-I145 HydrophobicContact SD-CD1 4.01Å; M139-I145 HydrophobicContact SD-CG1 4.45Å; M139-R178 PolarHBondContact O-NH1 3.19Å |
| 140 | A | 83.3 | Confident | 88.3 | Confident | 26 Ų | 26 | 53.4 Ų | 53.4 | 22% | 0.215 | 30% | 0.3 | C | S | . | . | trans | -58.3 | 155.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q79 N142 A143 R178 | Q79-A140 VanDerWaalsContact OE1-N 3.1Å; A140-N142 VanDerWaalsContact C-N 3.29Å; A140-N142 PolarHBondContact O-N 3.22Å; A140-A143 HydrophobicContact CB-CB 4.33Å; A140-A143 VanDerWaalsContact O-CB 3.29Å; A140-A143 WeakPolarHBondContact O-CB 3.19Å; A140-A143 PolarHBondContact O-N 2.92Å; A140-A143 VanDerWaalsContact O-N 3.14Å; A140-R178 PolarHBondContact O-NH1 2.99Å; A140-R178 PolarHBondContact O-NH2 3.1Å | ||
| 141 | E | 77.7 | Confident | 88.1 | Confident | 193 Ų | 193 | 58 Ų | 58 | 90% | 0.902 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -35.8 | -175.7 | -69 | -172.5 | 172.4 | 0 | 0 | 113 | R178 | E141-R178 PolarHBondContact O-NH2 2.67Å; E141-R178 VanDerWaalsContact O-NH2 3.08Å |
| 142 | N | 75.6 | Confident | 88 | Confident | 113 Ų | 113 | 63.1 Ų | 63.1 | 60% | 0.604 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 8.3 | 177.9 | 65.2 | -34.4 | 0 | 0 | 0 | 114 | A140 Q144 | A140-N142 VanDerWaalsContact C-N 3.29Å; A140-N142 PolarHBondContact O-N 3.22Å; N142-Q144 PolarHBondContact O-N 3.44Å |
| 143 | A | 78.3 | Confident | 87.9 | Confident | 30 Ų | 30 | 63.2 Ų | 63.2 | 25% | 0.248 | 34% | 0.344 | C | S | . | . | trans | -63.1 | 129.3 | 179 | 0 | 0 | 0 | 0 | 0 | 110.8 | M139 A140 | M139-A143 HydrophobicContact CB-CB 4.05Å; M139-A143 HydrophobicContact CE-CB 3.84Å; A140-A143 HydrophobicContact CB-CB 4.33Å; A140-A143 VanDerWaalsContact O-CB 3.29Å; A140-A143 WeakPolarHBondContact O-CB 3.19Å; A140-A143 PolarHBondContact O-N 2.92Å; A140-A143 VanDerWaalsContact O-N 3.14Å | ||
| 144 | Q | 77.6 | Confident | 87.8 | Confident | 137 Ų | 137 | 62.7 Ų | 62.7 | 64% | 0.64 | 34% | 0.341 | S | S | * | . | trans | -91.1 | 153.7 | 171.8 | -56.3 | -169.8 | 49 | 0 | 0 | 109.3 | E100 N142 | E100-Q144 PolarHBondContact OE2-NE2 3.45Å; N142-Q144 PolarHBondContact O-N 3.44Å | ||
| 145 | I | 82.8 | Confident | 87.9 | Confident | 33 Ų | 33 | 65.9 Ų | 65.9 | 17% | 0.169 | 36% | 0.356 | C | S | . | . | trans | -132.5 | 143.4 | 171.5 | -56.8 | 175.2 | 0 | 0 | 0 | 105 | D102 L136 M139 D147 L149 | D102-I145 WeakPolarHBondContact OD2-CA 3.46Å; D102-I145 WeakPolarHBondContact OD2-CG2 3.32Å; L136-I145 HydrophobicContact CD2-CD1 3.69Å; M139-I145 HydrophobicContact CE-CD1 3.64Å; M139-I145 HydrophobicContact CE-CG1 3.43Å; M139-I145 VanDerWaalsContact CE-CG1 3.43Å; M139-I145 HydrophobicContact SD-CD1 4.01Å; M139-I145 HydrophobicContact SD-CG1 4.45Å; I145-D147 PolarHBondContact O-N 2.9Å; I145-L149 HydrophobicContact CG2-CB 3.96Å; I145-L149 HydrophobicContact CG2-CD2 3.65Å; I145-L149 HydrophobicContact CG2-CG 3.78Å | ||
| 146 | D | 85.1 | Confident | 88.1 | Confident | 87 Ų | 87 | 66.1 Ų | 66.1 | 47% | 0.465 | 36% | 0.358 | S | S | . | . | trans | -46 | 134.6 | 169.3 | 168 | 73.5 | 0 | 0 | 0 | 112.5 | D102 D148 L149 F150 | D102-D146 PolarHBondContact OD2-N 3.34Å; D146-D148 VanDerWaalsContact C-N 3.34Å; D146-D148 PolarHBondContact O-N 3.5Å; D146-D148 WeakPolarHBondContact OD2-CB 3.35Å; D146-D148 PolarHBondContact OD2-N 3.16Å; D146-L149 HydrophobicContact CB-CB 4.19Å; D146-L149 PolarHBondContact O-N 2.76Å; D146-L149 VanDerWaalsContact O-N 3.15Å; D146-L149 PolarHBondContact OD2-N 2.77Å; D146-F150 WeakPolarHBondContact O-CB 3.47Å; D146-F150 PolarHBondContact O-N 3.34Å | ||
| 147 | D | 87.1 | Confident | 88.4 | Confident | 126 Ų | 126 | 65.8 Ų | 65.8 | 67% | 0.674 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -60.9 | -39.8 | -173.9 | -80.2 | -19.8 | 0 | 0 | 0 | 112.1 | I145 L149 F150 D151 | I145-D147 PolarHBondContact O-N 2.9Å; D147-L149 PolarHBondContact O-N 3.12Å; D147-F150 WeakPolarHBondContact O-CB 3.34Å; D147-F150 PolarHBondContact O-N 3.5Å; D147-D151 WeakPolarHBondContact O-CB 3.42Å; D147-D151 PolarHBondContact O-N 2.71Å |
| 148 | D | 89.7 | Confident | 88.7 | Confident | 114 Ų | 114 | 64.7 Ų | 64.7 | 61% | 0.61 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -66.9 | -38.1 | 177.8 | -80.1 | -19.4 | 0 | 0 | 0 | 111.4 | D146 R152 | D146-D148 VanDerWaalsContact C-N 3.34Å; D146-D148 PolarHBondContact O-N 3.5Å; D146-D148 WeakPolarHBondContact OD2-CB 3.35Å; D146-D148 PolarHBondContact OD2-N 3.16Å; D148-R152 WeakPolarHBondContact O-CB 3.36Å; D148-R152 VanDerWaalsContact O-CG 3.25Å; D148-R152 WeakPolarHBondContact O-CG 3.47Å; D148-R152 PolarHBondContact O-N 2.59Å; D148-R152 PolarHBondContact O-NE 3.41Å |
| 149 | L | 90.4 | Very high | 89.2 | Confident | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.1 | -42.5 | 173.6 | 179.5 | 57.4 | 0 | 0 | 0 | 111.4 | F110 L114 I145 D146 D147 R152 I153 | F110-L149 HydrophobicContact CB-CD1 3.85Å; F110-L149 HydrophobicContact CB-CD2 4.24Å; F110-L149 HydrophobicContact CD2-CD2 4.08Å; F110-L149 HydrophobicContact CG-CD2 4.48Å; L114-L149 HydrophobicContact CD1-CD1 3.82Å; I145-L149 HydrophobicContact CG2-CB 3.96Å; I145-L149 HydrophobicContact CG2-CD2 3.65Å; I145-L149 HydrophobicContact CG2-CG 3.78Å; D146-L149 HydrophobicContact CB-CB 4.19Å; D146-L149 PolarHBondContact O-N 2.76Å; D146-L149 VanDerWaalsContact O-N 3.15Å; D146-L149 PolarHBondContact OD2-N 2.77Å; D147-L149 PolarHBondContact O-N 3.12Å; L149-R152 PolarHBondContact O-N 3.04Å; L149-I153 HydrophobicContact CD1-CD1 4.03Å; L149-I153 HydrophobicContact CD1-CG1 4.19Å; L149-I153 HydrophobicContact CG-CD1 3.94Å; L149-I153 VanDerWaalsContact O-CG1 3.26Å; L149-I153 WeakPolarHBondContact O-CG1 3.32Å; L149-I153 PolarHBondContact O-N 3.23Å |
| 150 | F | 91 | Very high | 89.7 | Confident | 54 Ų | 54 | 66.9 Ų | 66.9 | 24% | 0.237 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -56.4 | -51.6 | 175.3 | 174.7 | -87.2 | 0 | 0 | 0 | 111.4 | D146 D147 R152 I153 H154 L179 | D146-F150 WeakPolarHBondContact O-CB 3.47Å; D146-F150 PolarHBondContact O-N 3.34Å; D147-F150 WeakPolarHBondContact O-CB 3.34Å; D147-F150 PolarHBondContact O-N 3.5Å; F150-R152 VanDerWaalsContact C-N 3.33Å; F150-R152 PolarHBondContact O-N 3.47Å; F150-I153 PolarHBondContact O-N 3.33Å; F150-I153 VanDerWaalsContact O-N 3.16Å; F150-H154 WeakPolarHBondContact O-CB 3.47Å; F150-H154 PolarHBondContact O-N 3.03Å; F150-L179 HydrophobicContact CD2-CD2 4.03Å; F150-L179 HydrophobicContact CE2-CD2 3.45Å; F150-L179 VanDerWaalsContact CE2-CD2 3.45Å; F150-L179 HydrophobicContact CZ-CD2 4.19Å |
| 151 | D | 93.1 | Very high | 90.4 | Very high | 98 Ų | 98 | 65.9 Ų | 65.9 | 52% | 0.524 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.9 | -41.8 | -179.1 | -84.8 | -9.3 | 0 | 0 | 0 | 111.7 | D147 H154 Q155 | D147-D151 WeakPolarHBondContact O-CB 3.42Å; D147-D151 PolarHBondContact O-N 2.71Å; D151-H154 PolarHBondContact O-N 3.21Å; D151-Q155 VanDerWaalsContact O-CB 3.24Å; D151-Q155 WeakPolarHBondContact O-CB 3.49Å; D151-Q155 PolarHBondContact O-N 3.25Å |
| 152 | R | 95.6 | Very high | 91.3 | Very high | 109 Ų | 109 | 61.8 Ų | 61.8 | 41% | 0.411 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.1 | -40.1 | 176.4 | -71.7 | -176.2 | -60.3 | 134.7 | -0.3 | 112.3 | N111 L114 D148 L149 F150 A156 | N111-R152 VanDerWaalsContact OD1-CZ 3.25Å; N111-R152 PolarHBondContact OD1-NH1 2.89Å; N111-R152 PolarHBondContact OD1-NH2 3.34Å; L114-R152 HydrophobicContact CD1-CB 3.98Å; D148-R152 WeakPolarHBondContact O-CB 3.36Å; D148-R152 VanDerWaalsContact O-CG 3.25Å; D148-R152 WeakPolarHBondContact O-CG 3.47Å; D148-R152 PolarHBondContact O-N 2.59Å; D148-R152 PolarHBondContact O-NE 3.41Å; L149-R152 PolarHBondContact O-N 3.04Å; F150-R152 VanDerWaalsContact C-N 3.33Å; F150-R152 PolarHBondContact O-N 3.47Å; R152-A156 WeakPolarHBondContact O-CB 3.39Å; R152-A156 PolarHBondContact O-N 2.96Å |
| 153 | I | 95.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.2 | -49.1 | 174.4 | -69.8 | 168.9 | 0 | 0 | 0 | 110.2 | F110 L114 I132 L136 L149 F150 A156 M157 L179 | F110-I153 HydrophobicContact CD1-CD1 3.72Å; F110-I153 HydrophobicContact CD1-CG1 4.37Å; F110-I153 HydrophobicContact CD2-CD1 4.41Å; F110-I153 HydrophobicContact CE1-CD1 3.88Å; F110-I153 HydrophobicContact CG-CD1 4.01Å; F110-I153 HydrophobicContact CZ-CD1 4.29Å; L114-I153 HydrophobicContact CD1-CG1 4.04Å; L114-I153 HydrophobicContact CD2-CG1 4.12Å; L114-I153 HydrophobicContact CG-CG1 4.48Å; I132-I153 HydrophobicContact CG2-CG2 3.98Å; L136-I153 HydrophobicContact CD1-CG2 4.08Å; L149-I153 HydrophobicContact CD1-CD1 4.03Å; L149-I153 HydrophobicContact CD1-CG1 4.19Å; L149-I153 HydrophobicContact CG-CD1 3.94Å; L149-I153 VanDerWaalsContact O-CG1 3.26Å; L149-I153 WeakPolarHBondContact O-CG1 3.32Å; L149-I153 PolarHBondContact O-N 3.23Å; F150-I153 PolarHBondContact O-N 3.33Å; F150-I153 VanDerWaalsContact O-N 3.16Å; I153-A156 PolarHBondContact O-N 3.28Å; I153-M157 HydrophobicContact CG2-CG 4.46Å; I153-M157 WeakPolarHBondContact O-CG 3.26Å; I153-M157 PolarHBondContact O-N 3.2Å; I153-L179 HydrophobicContact CG2-CD1 4.12Å |
| 154 | H | 95.8 | Very high | 93.3 | Very high | 22 Ų | 22 | 64.2 Ų | 64.2 | 10% | 0.102 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.3 | -49.5 | -178.2 | -171.2 | -164.5 | 0 | 0 | 0 | 111.1 | F150 D151 A156 M157 L158 L179 T189 | F150-H154 WeakPolarHBondContact O-CB 3.47Å; F150-H154 PolarHBondContact O-N 3.03Å; D151-H154 PolarHBondContact O-N 3.21Å; H154-A156 PolarHBondContact O-N 3.2Å; H154-M157 PolarHBondContact O-N 3Å; H154-L158 WeakPolarHBondContact O-CB 3.25Å; H154-L158 WeakPolarHBondContact O-CG 3.45Å; H154-L158 PolarHBondContact O-N 3.16Å; H154-L179 HydrophobicContact CB-CD1 4.29Å; H154-T189 PolarHBondContact NE2-OG1 2.66Å |
| 155 | Q | 96.7 | Very high | 94.2 | Very high | 122 Ų | 122 | 60.7 Ų | 60.7 | 57% | 0.57 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -60.8 | -43.8 | 177.8 | -175.8 | 60.5 | 17 | 0 | 0 | 112 | D151 M157 L158 V159 | D151-Q155 VanDerWaalsContact O-CB 3.24Å; D151-Q155 WeakPolarHBondContact O-CB 3.49Å; D151-Q155 PolarHBondContact O-N 3.25Å; Q155-M157 PolarHBondContact O-N 2.82Å; Q155-L158 PolarHBondContact O-N 3.17Å; Q155-V159 WeakPolarHBondContact O-CG2 3.3Å; Q155-V159 PolarHBondContact O-N 3.24Å; Q155-V159 VanDerWaalsContact O-N 3.11Å |
| 156 | A | 97.8 | Very high | 94.9 | Very high | 5 Ų | 5 | 60.8 Ų | 60.8 | 4% | 0.041 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L114 H117 R152 I153 H154 V159 R160 | L114-A156 HydrophobicContact CD2-CB 3.57Å; H117-A156 VanDerWaalsContact CD2-CB 3.48Å; H117-A156 WeakPolarHBondContact CD2-CB 3.34Å; R152-A156 WeakPolarHBondContact O-CB 3.39Å; R152-A156 PolarHBondContact O-N 2.96Å; I153-A156 PolarHBondContact O-N 3.28Å; H154-A156 PolarHBondContact O-N 3.2Å; A156-V159 PolarHBondContact O-N 2.94Å; A156-R160 VanDerWaalsContact O-CG 3.32Å; A156-R160 WeakPolarHBondContact O-CG 3.38Å; A156-R160 PolarHBondContact O-N 3.39Å |
| 157 | M | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -71.2 | -35.1 | -179 | -65.7 | -57 | 95.9 | 0 | 0 | 112.7 | C129 I132 I153 H154 Q155 V159 R160 V161 A172 A175 M176 | C129-M157 HydrophobicContact CB-SD 4.25Å; I132-M157 HydrophobicContact CD1-CE 3.58Å; I132-M157 HydrophobicContact CD1-SD 4.37Å; I132-M157 HydrophobicContact CG2-CG 4.41Å; I132-M157 HydrophobicContact CG2-SD 4.23Å; I153-M157 HydrophobicContact CG2-CG 4.46Å; I153-M157 WeakPolarHBondContact O-CG 3.26Å; I153-M157 PolarHBondContact O-N 3.2Å; H154-M157 PolarHBondContact O-N 3Å; Q155-M157 PolarHBondContact O-N 2.82Å; M157-V159 VanDerWaalsContact C-N 3.27Å; M157-V159 PolarHBondContact O-N 3.47Å; M157-R160 HydrophobicContact CE-CG 4.24Å; M157-R160 CarbonylContact O-C 3.6Å; M157-R160 PolarHBondContact O-N 2.94Å; M157-R160 VanDerWaalsContact O-N 3.09Å; M157-V161 PolarHBondContact O-N 2.86Å; M157-A172 HydrophobicContact SD-CB 4.17Å; M157-A175 HydrophobicContact CG-CB 3.95Å; M157-A175 HydrophobicContact SD-CB 3.82Å; M157-M176 HydrophobicContact CB-CG 3.41Å; M157-M176 VanDerWaalsContact CB-CG 3.41Å; M157-M176 HydrophobicContact CB-SD 3.66Å; M157-M176 HydrophobicContact CG-CG 4.25Å |
| 158 | L | 97.8 | Very high | 96 | Very high | 34 Ų | 34 | 53.7 Ų | 53.7 | 18% | 0.178 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.2 | -39.2 | 171.1 | -76.3 | 170.3 | 0 | 0 | 0 | 111.6 | H154 Q155 V161 M176 P188 A192 | H154-L158 WeakPolarHBondContact O-CB 3.25Å; H154-L158 WeakPolarHBondContact O-CG 3.45Å; H154-L158 PolarHBondContact O-N 3.16Å; Q155-L158 PolarHBondContact O-N 3.17Å; L158-V161 WeakPolarHBondContact O-CG1 3.4Å; L158-M176 HydrophobicContact CD2-SD 3.94Å; L158-M176 HydrophobicContact CG-SD 4.04Å; L158-P188 HydrophobicContact CD1-CB 3.73Å; L158-P188 HydrophobicContact CD2-CB 4.13Å; L158-A192 HydrophobicContact CD2-CB 4.13Å |
| 159 | V | 97.7 | Very high | 96.5 | Very high | 56 Ų | 56 | 49.3 Ų | 49.3 | 34% | 0.339 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -71.3 | -33.4 | 174.9 | 174.8 | 0 | 0 | 0 | 0 | 111.8 | Q155 A156 M157 T162 | Q155-V159 WeakPolarHBondContact O-CG2 3.3Å; Q155-V159 PolarHBondContact O-N 3.24Å; Q155-V159 VanDerWaalsContact O-N 3.11Å; A156-V159 PolarHBondContact O-N 2.94Å; M157-V159 VanDerWaalsContact C-N 3.27Å; M157-V159 PolarHBondContact O-N 3.47Å; V159-T162 PolarHBondContact O-OG1 3.47Å; V159-T162 VanDerWaalsContact O-OG1 3.09Å |
| 160 | R | 98.1 | Very high | 96.8 | Very high | 42 Ų | 42 | 50.2 Ų | 50.2 | 16% | 0.158 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -81.9 | -19.4 | 180 | -66.7 | -58.2 | 87.8 | 142.6 | -6.8 | 113.6 | H117 A156 M157 T162 D163 V168 A172 | H117-R160 HydrophobicContact CB-CG 4.5Å; H117-R160 WeakPolarHBondContact O-CD 3.43Å; H117-R160 PolarHBondContact O-NH1 3.15Å; A156-R160 VanDerWaalsContact O-CG 3.32Å; A156-R160 WeakPolarHBondContact O-CG 3.38Å; A156-R160 PolarHBondContact O-N 3.39Å; M157-R160 HydrophobicContact CE-CG 4.24Å; M157-R160 CarbonylContact O-C 3.6Å; M157-R160 PolarHBondContact O-N 2.94Å; M157-R160 VanDerWaalsContact O-N 3.09Å; R160-T162 PolarHBondContact O-N 3.5Å; R160-D163 IonicContact NE-OD2 3.1Å; R160-D163 WeakPolarHBondContact O-CB 3.27Å; R160-D163 PolarHBondContact O-N 2.56Å; R160-D163 VanDerWaalsContact O-N 3.12Å; R160-V168 HydrophobicContact CB-CG1 4.37Å; R160-A172 HydrophobicContact CB-CB 3.67Å |
| 161 | V | 97.2 | Very high | 97.2 | Very high | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.03 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -13.8 | 174.4 | 93.1 | 0 | 0 | 0 | 0 | 112.5 | M157 L158 R169 A172 A173 M176 A192 I196 | M157-V161 PolarHBondContact O-N 2.86Å; L158-V161 WeakPolarHBondContact O-CG1 3.4Å; V161-R169 WeakPolarHBondContact O-CD 3.47Å; V161-R169 WeakPolarHBondContact O-CG 3.28Å; V161-A172 HydrophobicContact CB-CB 4.3Å; V161-A172 HydrophobicContact CG2-CB 4.49Å; V161-A173 HydrophobicContact CG2-CB 4.04Å; V161-M176 HydrophobicContact CB-CE 3.65Å; V161-M176 HydrophobicContact CG1-CE 4.09Å; V161-M176 HydrophobicContact CG2-CE 3.63Å; V161-A192 HydrophobicContact CG1-CB 4.23Å; V161-I196 HydrophobicContact CB-CD1 4.26Å; V161-I196 HydrophobicContact CG1-CD1 3.99Å; V161-I196 HydrophobicContact CG2-CD1 3.32Å |
| 162 | T | 96.5 | Very high | 97.4 | Very high | 108 Ų | 108 | 43.8 Ų | 43.8 | 66% | 0.663 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | 17.1 | 173 | 64.7 | 0 | 0 | 0 | 0 | 113.1 | V159 R160 | V159-T162 PolarHBondContact O-OG1 3.47Å; V159-T162 VanDerWaalsContact O-OG1 3.09Å; R160-T162 PolarHBondContact O-N 3.5Å |
| 163 | D | 98.3 | Very high | 97.5 | Very high | 9 Ų | 9 | 38.6 Ų | 38.6 | 5% | 0.048 | 19% | 0.193 | C | C | . | . | trans | -61.8 | 149.5 | -177.4 | -162.2 | -73.5 | 0 | 0 | 0 | 113.2 | R125 R160 F165 V168 R169 | R125-D163 IonicContact CZ-OD1 3.56Å; R125-D163 IonicContact CZ-OD2 3.18Å; R125-D163 IonicContact NH1-OD1 3.47Å; R125-D163 PolarHBondContact NH1-OD1 3.08Å; R125-D163 IonicContact NH1-OD2 3.41Å; R125-D163 PolarHBondContact NH1-OD2 3Å; R160-D163 IonicContact NE-OD2 3.1Å; R160-D163 WeakPolarHBondContact O-CB 3.27Å; R160-D163 PolarHBondContact O-N 2.56Å; R160-D163 VanDerWaalsContact O-N 3.12Å; D163-F165 PolarHBondContact O-N 3.41Å; D163-F165 PolarHBondContact OD1-N 3.29Å; D163-V168 HydrophobicContact CB-CB 3.9Å; D163-V168 HydrophobicContact CB-CG1 3.81Å; D163-R169 HydrophobicContact CB-CG 3.9Å; D163-R169 WeakPolarHBondContact O-CD 3.19Å; D163-R169 VanDerWaalsContact O-CG 3.29Å; D163-R169 WeakPolarHBondContact O-CG 3.41Å; D163-R169 PolarHBondContact O-NH1 2.7Å | ||
| 164 | K | 96.9 | Very high | 97.6 | Very high | 184 Ų | 184 | 40.7 Ų | 40.7 | 80% | 0.8 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -56.6 | -34.3 | 174.7 | -173.2 | 175.2 | -178.3 | 176.5 | 0 | 112.5 | R169 | K164-R169 PolarHBondContact O-NH1 3.3Š|
| 165 | F | 97.1 | Very high | 97.6 | Very high | 64 Ų | 64 | 39.7 Ų | 39.7 | 28% | 0.281 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -96.6 | 122.9 | -175.3 | -70.9 | -95.4 | 0 | 0 | 0 | 112 | H122 D163 N167 V168 R169 | H122-F165 HydrophobicContact CB-CD1 4.13Å; H122-F165 HydrophobicContact CB-CD2 3.63Å; H122-F165 HydrophobicContact CB-CE1 4.12Å; H122-F165 HydrophobicContact CB-CE2 3.62Å; H122-F165 HydrophobicContact CB-CG 3.89Å; H122-F165 HydrophobicContact CB-CZ 3.86Å; H122-F165 AromaticContact CD2-CE1 3.97Å; H122-F165 AromaticContact CG-CE1 3.86Å; H122-F165 AromaticContact CG-CZ 3.87Å; D163-F165 PolarHBondContact O-N 3.41Å; D163-F165 PolarHBondContact OD1-N 3.29Å; F165-N167 VanDerWaalsContact C-N 3.34Å; F165-N167 PolarHBondContact O-N 3.46Å; F165-V168 HydrophobicContact CB-CG2 3.89Å; F165-V168 WeakPolarHBondContact O-CB 3.29Å; F165-V168 PolarHBondContact O-N 3.22Å; F165-V168 VanDerWaalsContact O-N 3.08Å; F165-R169 PolarHBondContact O-N 3.48Å |
| 166 | P | 97.9 | Very high | 97.6 | Very high | 35 Ų | 35 | 33.9 Ų | 33.9 | 23% | 0.227 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.7 | -40.3 | -176.3 | -27.7 | 34.7 | 0 | 0 | 0 | 114.8 | V168 R169 I170 N202 V205 | P166-V168 VanDerWaalsContact C-N 3.26Å; P166-V168 PolarHBondContact O-N 2.97Å; P166-R169 WeakPolarHBondContact O-CB 3.36Å; P166-R169 PolarHBondContact O-N 3.04Å; P166-R169 VanDerWaalsContact O-N 3.13Å; P166-I170 WeakPolarHBondContact O-CG1 3.49Å; P166-I170 PolarHBondContact O-N 2.83Å; P166-N202 HydrophobicContact CB-CB 3.96Å; P166-N202 HydrophobicContact CG-CB 4.05Å; P166-V205 HydrophobicContact CB-CG2 3.8Å |
| 167 | N | 97.6 | Very high | 97.4 | Very high | 63 Ų | 63 | 36.1 Ų | 36.1 | 34% | 0.337 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -66.5 | -28.3 | -179 | -71.3 | -18.2 | 0 | 0 | 0 | 112.8 | Y58 F126 F165 Q171 | Y58-N167 HydrophobicContact CE2-CB 4.09Å; Y58-N167 WeakPolarHBondContact OH-CB 3.48Å; Y58-N167 PolarHBondContact OH-ND2 3.28Å; F126-N167 HydrophobicContact CD2-CB 3.89Å; F126-N167 WeakPolarHBondContact CD2-O 3.24Å; F126-N167 HydrophobicContact CE2-CB 4.01Å; F165-N167 VanDerWaalsContact C-N 3.34Å; F165-N167 PolarHBondContact O-N 3.46Å; N167-Q171 WeakPolarHBondContact O-CG 3.35Å; N167-Q171 PolarHBondContact O-N 3.36Å |
| 168 | V | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.8 | -47.8 | 172.3 | -176.2 | 0 | 0 | 0 | 0 | 109.2 | R125 F126 R160 D163 F165 P166 I170 Q171 A172 | R125-V168 HydrophobicContact CB-CG1 4.21Å; R125-V168 HydrophobicContact CB-CG2 4.29Å; F126-V168 HydrophobicContact CB-CG2 3.93Å; R160-V168 HydrophobicContact CB-CG1 4.37Å; D163-V168 HydrophobicContact CB-CB 3.9Å; D163-V168 HydrophobicContact CB-CG1 3.81Å; F165-V168 HydrophobicContact CB-CG2 3.89Å; F165-V168 WeakPolarHBondContact O-CB 3.29Å; F165-V168 PolarHBondContact O-N 3.22Å; F165-V168 VanDerWaalsContact O-N 3.08Å; P166-V168 VanDerWaalsContact C-N 3.26Å; P166-V168 PolarHBondContact O-N 2.97Å; V168-I170 VanDerWaalsContact C-N 3.29Å; V168-I170 PolarHBondContact O-N 3.03Å; V168-Q171 PolarHBondContact O-N 3.46Å; V168-Q171 VanDerWaalsContact O-N 3.14Å; V168-A172 PolarHBondContact O-N 3.05Å |
| 169 | R | 98.4 | Very high | 96.7 | Very high | 22 Ų | 22 | 40.1 Ų | 40.1 | 8% | 0.083 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.8 | -41.2 | 176.3 | -59.2 | -162.1 | -62.8 | -90.3 | 11.2 | 112.4 | V161 D163 K164 F165 P166 A172 A173 D200 V205 | V161-R169 WeakPolarHBondContact O-CD 3.47Å; V161-R169 WeakPolarHBondContact O-CG 3.28Å; D163-R169 HydrophobicContact CB-CG 3.9Å; D163-R169 WeakPolarHBondContact O-CD 3.19Å; D163-R169 VanDerWaalsContact O-CG 3.29Å; D163-R169 WeakPolarHBondContact O-CG 3.41Å; D163-R169 PolarHBondContact O-NH1 2.7Å; K164-R169 PolarHBondContact O-NH1 3.3Å; F165-R169 PolarHBondContact O-N 3.48Å; P166-R169 WeakPolarHBondContact O-CB 3.36Å; P166-R169 PolarHBondContact O-N 3.04Å; P166-R169 VanDerWaalsContact O-N 3.13Å; R169-A172 PolarHBondContact O-N 3.03Å; R169-A173 WeakPolarHBondContact O-CB 3.49Å; R169-A173 PolarHBondContact O-N 3.18Å; R169-D200 IonicContact CZ-OD1 3.56Å; R169-D200 IonicContact CZ-OD2 3.32Å; R169-D200 VanDerWaalsContact CZ-OD2 3.3Å; R169-D200 IonicContact NE-OD1 3.91Å; R169-D200 IonicContact NE-OD2 2.65Å; R169-D200 PolarHBondContact NE-OD2 3.14Å; R169-D200 IonicContact NH2-OD1 3.26Å; R169-D200 PolarHBondContact NH2-OD1 2.94Å; R169-D200 IonicContact NH2-OD2 2.95Å; R169-D200 PolarHBondContact NH2-OD2 3.01Å; R169-D200 VanDerWaalsContact NH2-OD2 3.11Å; R169-V205 HydrophobicContact CB-CG1 3.96Å; R169-V205 HydrophobicContact CB-CG2 4.18Å |
| 170 | I | 98.4 | Very high | 96.6 | Very high | 21 Ų | 21 | 38.8 Ų | 38.8 | 11% | 0.108 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.7 | -51.5 | 175.4 | -70.6 | 166.9 | 0 | 0 | 0 | 110.7 | P166 V168 A172 A173 L174 E204 V205 A208 | P166-I170 WeakPolarHBondContact O-CG1 3.49Å; P166-I170 PolarHBondContact O-N 2.83Å; V168-I170 VanDerWaalsContact C-N 3.29Å; V168-I170 PolarHBondContact O-N 3.03Å; I170-A172 PolarHBondContact O-N 2.98Å; I170-A173 PolarHBondContact O-N 3.08Å; I170-L174 HydrophobicContact CG2-CD1 3.91Å; I170-L174 HydrophobicContact CG2-CG 4.36Å; I170-L174 VanDerWaalsContact O-CG 3.27Å; I170-L174 WeakPolarHBondContact O-CG 3.34Å; I170-L174 PolarHBondContact O-N 3.04Å; I170-E204 HydrophobicContact CD1-CB 3.74Å; I170-V205 HydrophobicContact CD1-CG2 4.35Å; I170-V205 HydrophobicContact CG1-CB 4.32Å; I170-V205 HydrophobicContact CG1-CG2 3.87Å; I170-A208 HydrophobicContact CB-CB 4.43Å; I170-A208 HydrophobicContact CG1-CB 4.24Å; I170-A208 HydrophobicContact CG2-CB 3.9Å |
| 171 | Q | 97.9 | Very high | 96.3 | Very high | 17 Ų | 17 | 41.7 Ų | 41.7 | 8% | 0.079 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67 | -37.7 | -178.1 | -65.4 | -56.2 | -45.1 | 0 | 0 | 112.2 | F126 C129 Q130 N133 N167 V168 L174 A175 | F126-Q171 HydrophobicContact CD2-CG 3.78Å; F126-Q171 HydrophobicContact CE2-CG 3.49Å; F126-Q171 VanDerWaalsContact CE2-CG 3.49Å; F126-Q171 HydrophobicContact CZ-CG 4.45Å; C129-Q171 HydrophobicContact CB-CB 3.61Å; Q130-Q171 HydrophobicContact CB-CG 3.96Å; Q130-Q171 HydrophobicContact CG-CG 4.44Å; N133-Q171 PolarHBondContact ND2-OE1 3.29Å; N167-Q171 WeakPolarHBondContact O-CG 3.35Å; N167-Q171 PolarHBondContact O-N 3.36Å; V168-Q171 PolarHBondContact O-N 3.46Å; V168-Q171 VanDerWaalsContact O-N 3.14Å; Q171-L174 PolarHBondContact O-N 3.36Å; Q171-A175 WeakPolarHBondContact O-CB 3.09Å; Q171-A175 PolarHBondContact O-N 3.04Å |
| 172 | A | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.3 | -44 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | M157 R160 V161 V168 R169 I170 A175 M176 | M157-A172 HydrophobicContact SD-CB 4.17Å; R160-A172 HydrophobicContact CB-CB 3.67Å; V161-A172 HydrophobicContact CB-CB 4.3Å; V161-A172 HydrophobicContact CG2-CB 4.49Å; V168-A172 PolarHBondContact O-N 3.05Å; R169-A172 PolarHBondContact O-N 3.03Å; I170-A172 PolarHBondContact O-N 2.98Å; A172-A175 PolarHBondContact O-N 3.09Å; A172-M176 WeakPolarHBondContact O-CG 3.3Å; A172-M176 PolarHBondContact O-N 2.66Å; A172-M176 VanDerWaalsContact O-N 3.16Å |
| 173 | A | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.2 | -49.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V161 R169 I170 A175 M176 Y193 V209 | V161-A173 HydrophobicContact CG2-CB 4.04Å; R169-A173 WeakPolarHBondContact O-CB 3.49Å; R169-A173 PolarHBondContact O-N 3.18Å; I170-A173 PolarHBondContact O-N 3.08Å; A173-A175 VanDerWaalsContact C-N 3.31Å; A173-A175 PolarHBondContact O-N 3.36Å; A173-M176 PolarHBondContact O-N 2.89Å; A173-Y193 HydrophobicContact CB-CE1 4.03Å; A173-Y193 PolarHBondContact O-OH 3.08Å; A173-V209 HydrophobicContact CB-CG2 3.77Å |
| 174 | L | 97.5 | Very high | 95.5 | Very high | 45 Ų | 45 | 51.6 Ų | 51.6 | 24% | 0.236 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.8 | -40.5 | 178 | -66.3 | 172 | 0 | 0 | 0 | 112.1 | N133 I170 Q171 M176 T177 | N133-L174 VanDerWaalsContact ND2-CB 3.3Å; N133-L174 WeakPolarHBondContact ND2-CB 3.49Å; I170-L174 HydrophobicContact CG2-CD1 3.91Å; I170-L174 HydrophobicContact CG2-CG 4.36Å; I170-L174 VanDerWaalsContact O-CG 3.27Å; I170-L174 WeakPolarHBondContact O-CG 3.34Å; I170-L174 PolarHBondContact O-N 3.04Å; Q171-L174 PolarHBondContact O-N 3.36Å; L174-M176 VanDerWaalsContact C-N 3.29Å; L174-M176 PolarHBondContact O-N 3.13Å; L174-T177 WeakPolarHBondContact O-CB 3.41Å; L174-T177 PolarHBondContact O-N 2.92Å; L174-T177 PolarHBondContact O-OG1 3.15Å |
| 175 | A | 96.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.2 | -37.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I132 N133 L136 M157 Q171 A172 A173 T177 | I132-A175 HydrophobicContact CG2-CB 4.11Å; N133-A175 HydrophobicContact CB-CB 3.87Å; L136-A175 HydrophobicContact CD1-CB 4.45Å; L136-A175 WeakPolarHBondContact CD1-O 3.46Å; M157-A175 HydrophobicContact CG-CB 3.95Å; M157-A175 HydrophobicContact SD-CB 3.82Å; Q171-A175 WeakPolarHBondContact O-CB 3.09Å; Q171-A175 PolarHBondContact O-N 3.04Å; A172-A175 PolarHBondContact O-N 3.09Å; A173-A175 VanDerWaalsContact C-N 3.31Å; A173-A175 PolarHBondContact O-N 3.36Å; A175-T177 PolarHBondContact O-N 3.35Å |
| 176 | M | 96 | Very high | 94.9 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -78.7 | 2.3 | -179.4 | -61.9 | -175.1 | -64.9 | 0 | 0 | 114.2 | M157 L158 V161 A172 A173 L174 R178 L179 T189 Y193 | M157-M176 HydrophobicContact CB-CG 3.41Å; M157-M176 VanDerWaalsContact CB-CG 3.41Å; M157-M176 HydrophobicContact CB-SD 3.66Å; M157-M176 HydrophobicContact CG-CG 4.25Å; L158-M176 HydrophobicContact CD2-SD 3.94Å; L158-M176 HydrophobicContact CG-SD 4.04Å; V161-M176 HydrophobicContact CB-CE 3.65Å; V161-M176 HydrophobicContact CG1-CE 4.09Å; V161-M176 HydrophobicContact CG2-CE 3.63Å; A172-M176 WeakPolarHBondContact O-CG 3.3Å; A172-M176 PolarHBondContact O-N 2.66Å; A172-M176 VanDerWaalsContact O-N 3.16Å; A173-M176 PolarHBondContact O-N 2.89Å; L174-M176 VanDerWaalsContact C-N 3.29Å; L174-M176 PolarHBondContact O-N 3.13Å; M176-R178 VanDerWaalsContact C-N 3.31Å; M176-R178 PolarHBondContact O-N 2.84Å; M176-L179 HydrophobicContact CB-CD1 4.45Å; M176-L179 HydrophobicContact CG-CD1 4.24Å; M176-L179 PolarHBondContact O-N 2.94Å; M176-T189 HydrophobicContact CB-CG2 3.67Å; M176-T189 HydrophobicContact SD-CG2 4.44Å; M176-Y193 HydrophobicContact CE-CE1 4.03Å |
| 177 | T | 93.9 | Very high | 94.7 | Very high | 53 Ų | 53 | 47.2 Ų | 47.2 | 33% | 0.325 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -57 | -43.9 | -176.1 | -54.9 | 0 | 0 | 0 | 0 | 112.2 | L174 A175 L179 Q180 Y193 C212 | L174-T177 WeakPolarHBondContact O-CB 3.41Å; L174-T177 PolarHBondContact O-N 2.92Å; L174-T177 PolarHBondContact O-OG1 3.15Å; A175-T177 PolarHBondContact O-N 3.35Å; T177-L179 VanDerWaalsContact C-N 3.31Å; T177-Q180 PolarHBondContact O-NE2 2.81Å; T177-Y193 PolarHBondContact N-OH 3.33Å; T177-C212 HydrophobicContact CG2-CB 4.14Å; T177-C212 PolarHBondContact OG1-SG 2.91Å |
| 178 | R | 90 | Very high | 94.6 | Very high | 107 Ų | 107 | 47.1 Ų | 47.1 | 40% | 0.404 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -81.1 | -8.6 | 178.3 | -65.8 | -177.9 | 67.7 | 167.7 | 4 | 113.5 | L136 M139 A140 E141 M176 Q180 | L136-R178 WeakPolarHBondContact O-CD 3.39Å; L136-R178 PolarHBondContact O-NH1 3.36Å; M139-R178 PolarHBondContact O-NH1 3.19Å; A140-R178 PolarHBondContact O-NH1 2.99Å; A140-R178 PolarHBondContact O-NH2 3.1Å; E141-R178 PolarHBondContact O-NH2 2.67Å; E141-R178 VanDerWaalsContact O-NH2 3.08Å; M176-R178 VanDerWaalsContact C-N 3.31Å; M176-R178 PolarHBondContact O-N 2.84Å; R178-Q180 VanDerWaalsContact C-N 3.33Å |
| 179 | L | 91.6 | Very high | 94.6 | Very high | 11 Ų | 11 | 47.1 Ų | 47.1 | 6% | 0.058 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -98.5 | 23.6 | -176.7 | -44.1 | -179.2 | 0 | 0 | 0 | 111.8 | L136 F150 I153 H154 M176 T177 T189 | L136-L179 HydrophobicContact CD1-CD1 4.47Å; F150-L179 HydrophobicContact CD2-CD2 4.03Å; F150-L179 HydrophobicContact CE2-CD2 3.45Å; F150-L179 VanDerWaalsContact CE2-CD2 3.45Å; F150-L179 HydrophobicContact CZ-CD2 4.19Å; I153-L179 HydrophobicContact CG2-CD1 4.12Å; H154-L179 HydrophobicContact CB-CD1 4.29Å; M176-L179 HydrophobicContact CB-CD1 4.45Å; M176-L179 HydrophobicContact CG-CD1 4.24Å; M176-L179 PolarHBondContact O-N 2.94Å; T177-L179 VanDerWaalsContact C-N 3.31Å; L179-T189 PolarHBondContact O-OG1 3.08Å |
| 180 | Q | 93.9 | Very high | 94.5 | Very high | 27 Ų | 27 | 46 Ų | 46 | 13% | 0.126 | 24% | 0.236 | C | C | . | . | trans | -94.2 | 140.2 | 177.8 | -69.2 | 177 | 90.1 | 0 | 0 | 109.7 | T177 R178 P182 T189 I190 Y193 C212 | T177-Q180 PolarHBondContact O-NE2 2.81Å; R178-Q180 VanDerWaalsContact C-N 3.33Å; Q180-P182 WeakPolarHBondContact O-CD 3.34Å; Q180-T189 HydrophobicContact CG-CG2 3.59Å; Q180-I190 HydrophobicContact CB-CG1 4.4Å; Q180-I190 HydrophobicContact CG-CG1 4.34Å; Q180-Y193 HydrophobicContact CG-CE2 4.12Å; Q180-C212 PolarHBondContact NE2-O 3.22Å | ||
| 181 | Q | 92.3 | Very high | 94.4 | Very high | 103 Ų | 103 | 47.8 Ų | 47.8 | 48% | 0.481 | 25% | 0.245 | S | C | . | . | trans | -120.6 | 84.4 | 174.1 | -68.1 | 174.9 | -19.2 | 0 | 0 | 108.9 | K183 D184 C187 | Q181-K183 PolarHBondContact O-N 3.46Å; Q181-D184 HydrophobicContact CB-CB 3.96Å; Q181-D184 PolarHBondContact O-N 3.26Å; Q181-C187 HydrophobicContact CB-CB 4.22Å; Q181-C187 PolarHBondContact N-SG 3.28Å; Q181-C187 WeakPolarHBondContact O-CB 3.31Å | ||
| 182 | P | 91.8 | Very high | 94.4 | Very high | 65 Ų | 65 | 47.9 Ų | 47.9 | 42% | 0.422 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -21.5 | -171.1 | -22.4 | 34.9 | 0 | 0 | 0 | 115 | Q180 I190 A214 | Q180-P182 WeakPolarHBondContact O-CD 3.34Å; P182-I190 HydrophobicContact CB-CD1 4.29Å; P182-I190 HydrophobicContact CG-CD1 4.44Å; P182-A214 HydrophobicContact CB-CB 4.19Å; P182-A214 HydrophobicContact CG-CB 3.52Å |
| 183 | K | 91.4 | Very high | 94.4 | Very high | 212 Ų | 212 | 47.9 Ų | 47.9 | 92% | 0.922 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -23.4 | 175.8 | -64.3 | -178.3 | -179.2 | 176.6 | 0 | 112.2 | Q181 P185 | Q181-K183 PolarHBondContact O-N 3.46Å; K183-P185 WeakPolarHBondContact O-CD 3.33Å |
| 184 | D | 92.4 | Very high | 94.3 | Very high | 53 Ų | 53 | 49 Ų | 49 | 28% | 0.283 | 26% | 0.255 | S | S | . | . | trans | -84.5 | 117.1 | 177.7 | 174.7 | 19.3 | 0 | 0 | 0 | 110 | Q181 D186 C187 | Q181-D184 HydrophobicContact CB-CB 3.96Å; Q181-D184 PolarHBondContact O-N 3.26Å; D184-D186 PolarHBondContact O-N 2.81Å; D184-D186 PolarHBondContact OD1-N 3.49Å; D184-C187 HydrophobicContact CB-CB 4.27Å; D184-C187 WeakPolarHBondContact O-CB 3.44Å; D184-C187 PolarHBondContact O-N 2.78Å; D184-C187 WeakPolarHBondContact OD2-CA 3.19Å; D184-C187 PolarHBondContact OD2-N 3.46Å; D184-C187 VanDerWaalsContact OD2-N 3.09Å | ||
| 185 | P | 88.6 | Confident | 94.3 | Very high | 72 Ų | 72 | 52 Ų | 52 | 47% | 0.468 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -26.7 | 175.8 | 27.4 | -35 | 0 | 0 | 0 | 112.8 | K183 R218 | K183-P185 WeakPolarHBondContact O-CD 3.33Å; P185-R218 PolarHBondContact O-NH1 2.84Å; P185-R218 PolarHBondContact O-NH2 2.58Å |
| 186 | D | 91.9 | Very high | 94.3 | Very high | 119 Ų | 119 | 52.6 Ų | 52.6 | 64% | 0.636 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 9.7 | -175.2 | -67.1 | -48 | 0 | 0 | 0 | 113.6 | D184 P188 N191 | D184-D186 PolarHBondContact O-N 2.81Å; D184-D186 PolarHBondContact OD1-N 3.49Å; D186-P188 WeakPolarHBondContact O-CD 3.44Å; D186-N191 PolarHBondContact O-ND2 3.01Å |
| 187 | C | 94.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | trans | -49 | 113.3 | 179 | 178.4 | 0 | 0 | 0 | 0 | 111.9 | Q181 D184 T189 I190 N191 | Q181-C187 HydrophobicContact CB-CB 4.22Å; Q181-C187 PolarHBondContact N-SG 3.28Å; Q181-C187 WeakPolarHBondContact O-CB 3.31Å; D184-C187 HydrophobicContact CB-CB 4.27Å; D184-C187 WeakPolarHBondContact O-CB 3.44Å; D184-C187 PolarHBondContact O-N 2.78Å; D184-C187 WeakPolarHBondContact OD2-CA 3.19Å; D184-C187 PolarHBondContact OD2-N 3.46Å; D184-C187 VanDerWaalsContact OD2-N 3.09Å; C187-T189 VanDerWaalsContact C-N 3.3Å; C187-T189 PolarHBondContact O-N 3.41Å; C187-I190 HydrophobicContact CB-CB 4.22Å; C187-I190 HydrophobicContact CB-CD1 4.12Å; C187-I190 HydrophobicContact CB-CG1 4.28Å; C187-I190 PolarHBondContact O-N 3.46Å; C187-N191 PolarHBondContact O-N 2.97Å; C187-N191 VanDerWaalsContact O-N 3.13Å; C187-N191 PolarHBondContact O-ND2 3.31Å | ||
| 188 | P | 95.9 | Very high | 94.4 | Very high | 60 Ų | 60 | 53.1 Ų | 53.1 | 39% | 0.39 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.5 | -38.3 | -175.4 | -28 | 35.6 | 0 | 0 | 0 | 113.4 | L158 D186 N191 A192 | L158-P188 HydrophobicContact CD1-CB 3.73Å; L158-P188 HydrophobicContact CD2-CB 4.13Å; D186-P188 WeakPolarHBondContact O-CD 3.44Å; P188-N191 PolarHBondContact O-N 3.31Å; P188-A192 WeakPolarHBondContact O-CB 3.37Å; P188-A192 PolarHBondContact O-N 3.3Å |
| 189 | T | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.4 | -47.6 | 179.4 | -53.2 | 0 | 0 | 0 | 0 | 111.6 | H154 M176 L179 Q180 C187 N191 A192 Y193 | H154-T189 PolarHBondContact NE2-OG1 2.66Å; M176-T189 HydrophobicContact CB-CG2 3.67Å; M176-T189 HydrophobicContact SD-CG2 4.44Å; L179-T189 PolarHBondContact O-OG1 3.08Å; Q180-T189 HydrophobicContact CG-CG2 3.59Å; C187-T189 VanDerWaalsContact C-N 3.3Å; C187-T189 PolarHBondContact O-N 3.41Å; T189-N191 VanDerWaalsContact C-N 3.34Å; T189-N191 PolarHBondContact O-N 3.47Å; T189-A192 PolarHBondContact O-N 3.38Å; T189-Y193 HydrophobicContact CG2-CD1 4.43Å; T189-Y193 HydrophobicContact CG2-CD2 4.24Å; T189-Y193 HydrophobicContact CG2-CE1 4.07Å; T189-Y193 HydrophobicContact CG2-CE2 3.87Å; T189-Y193 WeakPolarHBondContact O-CB 3.42Å; T189-Y193 PolarHBondContact O-N 3.15Å |
| 190 | I | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.9 | -42.1 | -178.4 | -69.2 | 175.7 | 0 | 0 | 0 | 110 | Q180 P182 C187 A192 Y193 M194 T219 | Q180-I190 HydrophobicContact CB-CG1 4.4Å; Q180-I190 HydrophobicContact CG-CG1 4.34Å; P182-I190 HydrophobicContact CB-CD1 4.29Å; P182-I190 HydrophobicContact CG-CD1 4.44Å; C187-I190 HydrophobicContact CB-CB 4.22Å; C187-I190 HydrophobicContact CB-CD1 4.12Å; C187-I190 HydrophobicContact CB-CG1 4.28Å; C187-I190 PolarHBondContact O-N 3.46Å; I190-A192 PolarHBondContact O-N 3.24Å; I190-Y193 PolarHBondContact O-N 3.22Å; I190-M194 HydrophobicContact CG2-CE 4.15Å; I190-M194 HydrophobicContact CG2-CG 4.46Å; I190-M194 HydrophobicContact CG2-SD 4.48Å; I190-M194 WeakPolarHBondContact O-CG 3.38Å; I190-M194 PolarHBondContact O-N 2.62Å; I190-T219 HydrophobicContact CG2-CG2 3.54Å |
| 191 | N | 96.3 | Very high | 95 | Very high | 58 Ų | 58 | 58 Ų | 58 | 31% | 0.31 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 175.5 | -71.3 | -27.7 | 0 | 0 | 0 | 111.7 | D186 C187 P188 T189 M194 L195 R218 | D186-N191 PolarHBondContact O-ND2 3.01Å; C187-N191 PolarHBondContact O-N 2.97Å; C187-N191 VanDerWaalsContact O-N 3.13Å; C187-N191 PolarHBondContact O-ND2 3.31Å; P188-N191 PolarHBondContact O-N 3.31Å; T189-N191 VanDerWaalsContact C-N 3.34Å; T189-N191 PolarHBondContact O-N 3.47Å; N191-M194 PolarHBondContact O-N 2.92Å; N191-M194 WeakPolarHBondContact OD1-CE 3.41Å; N191-L195 PolarHBondContact O-N 3.27Å; N191-L195 VanDerWaalsContact O-N 3.11Å; N191-R218 PolarHBondContact OD1-NH2 2.99Å; N191-R218 VanDerWaalsContact OD1-NH2 3.1Å |
| 192 | A | 97.3 | Very high | 95.3 | Very high | 19 Ų | 19 | 55.5 Ų | 55.5 | 16% | 0.157 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L158 V161 P188 T189 I190 M194 L195 I196 | L158-A192 HydrophobicContact CD2-CB 4.13Å; V161-A192 HydrophobicContact CG1-CB 4.23Å; P188-A192 WeakPolarHBondContact O-CB 3.37Å; P188-A192 PolarHBondContact O-N 3.3Å; T189-A192 PolarHBondContact O-N 3.38Å; I190-A192 PolarHBondContact O-N 3.24Å; A192-M194 PolarHBondContact O-N 3.12Å; A192-L195 WeakPolarHBondContact O-CB 3.48Å; A192-L195 PolarHBondContact O-N 3.4Å; A192-I196 WeakPolarHBondContact O-CD1 3.3Å; A192-I196 VanDerWaalsContact O-CG1 3.25Å; A192-I196 WeakPolarHBondContact O-CG1 3.44Å; A192-I196 PolarHBondContact O-N 3.05Å |
| 193 | Y | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 177.1 | -77.5 | -3.2 | 0 | 0 | 0 | 112.8 | A173 M176 T177 Q180 T189 I190 L195 I196 L197 V209 C212 I213 | A173-Y193 HydrophobicContact CB-CE1 4.03Å; A173-Y193 PolarHBondContact O-OH 3.08Å; M176-Y193 HydrophobicContact CE-CE1 4.03Å; T177-Y193 PolarHBondContact N-OH 3.33Å; Q180-Y193 HydrophobicContact CG-CE2 4.12Å; T189-Y193 HydrophobicContact CG2-CD1 4.43Å; T189-Y193 HydrophobicContact CG2-CD2 4.24Å; T189-Y193 HydrophobicContact CG2-CE1 4.07Å; T189-Y193 HydrophobicContact CG2-CE2 3.87Å; T189-Y193 WeakPolarHBondContact O-CB 3.42Å; T189-Y193 PolarHBondContact O-N 3.15Å; I190-Y193 PolarHBondContact O-N 3.22Å; Y193-L195 VanDerWaalsContact C-N 3.28Å; Y193-L195 PolarHBondContact O-N 2.91Å; Y193-I196 HydrophobicContact CD1-CD1 4.48Å; Y193-I196 PolarHBondContact O-N 2.9Å; Y193-L197 WeakPolarHBondContact O-CG 3.13Å; Y193-L197 PolarHBondContact O-N 3.37Å; Y193-V209 VanDerWaalsContact CB-CG1 3.48Å; Y193-V209 HydrophobicContact CD1-CB 4.42Å; Y193-V209 HydrophobicContact CD1-CG1 3.81Å; Y193-V209 HydrophobicContact CD1-CG2 3.83Å; Y193-V209 HydrophobicContact CD2-CG1 4.15Å; Y193-V209 HydrophobicContact CE1-CG2 4.14Å; Y193-V209 HydrophobicContact CG-CG1 3.56Å; Y193-V209 HydrophobicContact CG-CG2 4.45Å; Y193-C212 HydrophobicContact CE2-CB 3.88Å; Y193-I213 HydrophobicContact CD2-CB 3.96Å; Y193-I213 HydrophobicContact CD2-CG1 4.05Å |
| 194 | M | 97 | Very high | 95.9 | Very high | 23 Ų | 23 | 46.4 Ų | 46.4 | 11% | 0.113 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60 | -40.6 | 176.3 | -69.9 | -168.9 | -64.8 | 0 | 0 | 111.7 | I190 N191 A192 E198 I213 T219 K222 | I190-M194 HydrophobicContact CG2-CE 4.15Å; I190-M194 HydrophobicContact CG2-CG 4.46Å; I190-M194 HydrophobicContact CG2-SD 4.48Å; I190-M194 WeakPolarHBondContact O-CG 3.38Å; I190-M194 PolarHBondContact O-N 2.62Å; N191-M194 PolarHBondContact O-N 2.92Å; N191-M194 WeakPolarHBondContact OD1-CE 3.41Å; A192-M194 PolarHBondContact O-N 3.12Å; M194-E198 PolarHBondContact O-N 3.2Å; M194-I213 HydrophobicContact CG-CD1 4.4Å; M194-T219 HydrophobicContact CG-CG2 4.37Å; M194-T219 HydrophobicContact SD-CG2 4.38Å; M194-K222 HydrophobicContact CB-CG 4.21Å; M194-K222 HydrophobicContact CG-CG 3.92Å; M194-K222 HydrophobicContact SD-CG 4.04Å |
| 195 | L | 96.4 | Very high | 96.1 | Very high | 109 Ų | 109 | 43.9 Ų | 43.9 | 57% | 0.571 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -64.6 | -42.4 | 176.9 | -169.8 | 74 | 0 | 0 | 0 | 111.7 | N191 A192 Y193 E198 N199 | N191-L195 PolarHBondContact O-N 3.27Å; N191-L195 VanDerWaalsContact O-N 3.11Å; A192-L195 WeakPolarHBondContact O-CB 3.48Å; A192-L195 PolarHBondContact O-N 3.4Å; Y193-L195 VanDerWaalsContact C-N 3.28Å; Y193-L195 PolarHBondContact O-N 2.91Å; L195-E198 PolarHBondContact O-N 3.12Å; L195-N199 VanDerWaalsContact CD1-ND2 3.27Å; L195-N199 WeakPolarHBondContact CD1-ND2 3.48Å; L195-N199 WeakPolarHBondContact O-CB 3.34Å; L195-N199 PolarHBondContact O-N 3.07Å; L195-N199 PolarHBondContact O-ND2 3.06Å |
| 196 | I | 97.6 | Very high | 96.6 | Very high | 13 Ų | 13 | 41.4 Ų | 41.4 | 7% | 0.067 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.9 | -45 | 178.7 | -70.1 | 160.3 | 0 | 0 | 0 | 111.2 | V161 A192 Y193 E198 N199 D200 V205 V209 | V161-I196 HydrophobicContact CB-CD1 4.26Å; V161-I196 HydrophobicContact CG1-CD1 3.99Å; V161-I196 HydrophobicContact CG2-CD1 3.32Å; A192-I196 WeakPolarHBondContact O-CD1 3.3Å; A192-I196 VanDerWaalsContact O-CG1 3.25Å; A192-I196 WeakPolarHBondContact O-CG1 3.44Å; A192-I196 PolarHBondContact O-N 3.05Å; Y193-I196 HydrophobicContact CD1-CD1 4.48Å; Y193-I196 PolarHBondContact O-N 2.9Å; I196-E198 PolarHBondContact O-N 3.36Å; I196-N199 PolarHBondContact O-N 2.91Å; I196-D200 HydrophobicContact CG2-CB 3.84Å; I196-D200 WeakPolarHBondContact O-CB 3.32Å; I196-D200 PolarHBondContact O-N 2.98Å; I196-V205 HydrophobicContact CG2-CG1 3.75Å; I196-V209 HydrophobicContact CB-CG2 4.18Å; I196-V209 HydrophobicContact CD1-CG2 4.05Å; I196-V209 HydrophobicContact CG2-CB 4.25Å; I196-V209 HydrophobicContact CG2-CG2 3.63Å |
| 197 | L | 97.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.5 | -35.5 | 178.9 | -73.4 | 179.3 | 0 | 0 | 0 | 111.8 | Y193 R206 V209 L210 I213 K222 R226 | Y193-L197 WeakPolarHBondContact O-CG 3.13Å; Y193-L197 PolarHBondContact O-N 3.37Å; L197-R206 WeakPolarHBondContact CD2-O 3.38Å; L197-R206 WeakPolarHBondContact O-CD 3.43Å; L197-V209 HydrophobicContact CD1-CG1 4.29Å; L197-V209 HydrophobicContact CD2-CB 4.14Å; L197-V209 HydrophobicContact CD2-CG1 3.85Å; L197-V209 HydrophobicContact CG-CB 4.5Å; L197-V209 HydrophobicContact CG-CG1 3.73Å; L197-L210 HydrophobicContact CD2-CB 4.09Å; L197-L210 HydrophobicContact CD2-CD1 4.49Å; L197-I213 HydrophobicContact CD1-CD1 3.9Å; L197-K222 HydrophobicContact CD1-CB 4.26Å; L197-R226 HydrophobicContact CD2-CG 4.11Å; L197-R226 PolarHBondContact O-NE 3.31Å; L197-R226 PolarHBondContact O-NH1 3.35Å; L197-R226 PolarHBondContact O-NH2 3.27Å |
| 198 | E | 93.6 | Very high | 97.1 | Very high | 64 Ų | 64 | 40.9 Ų | 40.9 | 30% | 0.299 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -87 | -33.5 | -179.6 | -71.5 | -175.9 | 148.6 | 0 | 0 | 113.8 | M194 L195 I196 K222 K225 | M194-E198 PolarHBondContact O-N 3.2Å; L195-E198 PolarHBondContact O-N 3.12Å; I196-E198 PolarHBondContact O-N 3.36Å; E198-K222 HydrophobicContact CG-CD 4.09Å; E198-K222 WeakPolarHBondContact OE1-CD 3.27Å; E198-K222 WeakPolarHBondContact OE1-CE 3.27Å; E198-K222 IonicContact OE1-NZ 3.88Å; E198-K222 PolarHBondContact OE1-NZ 2.85Å; E198-K222 IonicContact OE2-NZ 2.85Å; E198-K222 PolarHBondContact OE2-NZ 3.14Å; E198-K225 IonicContact OE1-NZ 2.76Å; E198-K225 PolarHBondContact OE1-NZ 3.19Å |
| 199 | N | 95.4 | Very high | 97.2 | Very high | 110 Ų | 110 | 38 Ų | 38 | 59% | 0.588 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -119.9 | -16.1 | -163.3 | -56.2 | -66.5 | 0 | 0 | 0 | 115.7 | L195 I196 S201 | L195-N199 VanDerWaalsContact CD1-ND2 3.27Å; L195-N199 WeakPolarHBondContact CD1-ND2 3.48Å; L195-N199 WeakPolarHBondContact O-CB 3.34Å; L195-N199 PolarHBondContact O-N 3.07Å; L195-N199 PolarHBondContact O-ND2 3.06Å; I196-N199 PolarHBondContact O-N 2.91Å; N199-S201 PolarHBondContact O-N 3.18Å |
| 200 | D | 97.3 | Very high | 97.2 | Very high | 23 Ų | 23 | 38 Ų | 38 | 12% | 0.123 | 20% | 0.204 | C | C | . | . | trans | -69.6 | 129.1 | -177.5 | -163.5 | -60.5 | 0 | 0 | 0 | 110.6 | R169 I196 N202 V205 R206 | R169-D200 IonicContact CZ-OD1 3.56Å; R169-D200 IonicContact CZ-OD2 3.32Å; R169-D200 VanDerWaalsContact CZ-OD2 3.3Å; R169-D200 IonicContact NE-OD1 3.91Å; R169-D200 IonicContact NE-OD2 2.65Å; R169-D200 PolarHBondContact NE-OD2 3.14Å; R169-D200 IonicContact NH2-OD1 3.26Å; R169-D200 PolarHBondContact NH2-OD1 2.94Å; R169-D200 IonicContact NH2-OD2 2.95Å; R169-D200 PolarHBondContact NH2-OD2 3.01Å; R169-D200 VanDerWaalsContact NH2-OD2 3.11Å; I196-D200 HydrophobicContact CG2-CB 3.84Å; I196-D200 WeakPolarHBondContact O-CB 3.32Å; I196-D200 PolarHBondContact O-N 2.98Å; D200-N202 VanDerWaalsContact C-N 3.29Å; D200-N202 PolarHBondContact O-N 3.43Å; D200-N202 WeakPolarHBondContact OD1-CB 3.29Å; D200-N202 PolarHBondContact OD1-N 3.47Å; D200-V205 HydrophobicContact CB-CG1 4.5Å; D200-V205 WeakPolarHBondContact OD2-CG1 3.46Å; D200-R206 HydrophobicContact CB-CG 4.07Å; D200-R206 WeakPolarHBondContact O-CD 3.29Å; D200-R206 PolarHBondContact O-NH1 3.34Å | ||
| 201 | S | 95.8 | Very high | 97.2 | Very high | 114 Ų | 114 | 40.5 Ų | 40.5 | 80% | 0.797 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -69.4 | -26.4 | -178.8 | 57.5 | 0 | 0 | 0 | 0 | 113 | N199 R206 | N199-S201 PolarHBondContact O-N 3.18Å; S201-R206 PolarHBondContact O-NH1 2.92Å |
| 202 | N | 97.9 | Very high | 97.1 | Very high | 50 Ų | 50 | 38.2 Ų | 38.2 | 27% | 0.267 | 21% | 0.21 | S | C | . | . | trans | -92.3 | 122.5 | -176.7 | -170.3 | -73 | 0 | 0 | 0 | 111.8 | P166 D200 E204 V205 R206 | P166-N202 HydrophobicContact CB-CB 3.96Å; P166-N202 HydrophobicContact CG-CB 4.05Å; D200-N202 VanDerWaalsContact C-N 3.29Å; D200-N202 PolarHBondContact O-N 3.43Å; D200-N202 WeakPolarHBondContact OD1-CB 3.29Å; D200-N202 PolarHBondContact OD1-N 3.47Å; N202-E204 VanDerWaalsContact C-N 3.34Å; N202-E204 PolarHBondContact O-N 2.94Å; N202-E204 WeakPolarHBondContact OD1-CB 3.43Å; N202-E204 PolarHBondContact OD1-N 3.22Å; N202-V205 HydrophobicContact CB-CB 4.46Å; N202-V205 HydrophobicContact CB-CG2 3.85Å; N202-V205 PolarHBondContact O-N 3.39Å; N202-V205 PolarHBondContact OD1-N 2.89Å; N202-R206 PolarHBondContact O-N 3.22Å | ||
| 203 | A | 97.8 | Very high | 97.1 | Very high | 15 Ų | 15 | 37.3 Ų | 37.3 | 12% | 0.124 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.2 | -31.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | V205 R206 R207 K231 V234 | A203-V205 VanDerWaalsContact C-N 3.32Å; A203-V205 PolarHBondContact O-N 2.84Å; A203-R206 PolarHBondContact O-N 3.43Å; A203-R207 VanDerWaalsContact O-CB 3.31Å; A203-R207 WeakPolarHBondContact O-CB 3.46Å; A203-R207 PolarHBondContact O-N 3.42Å; A203-K231 HydrophobicContact CB-CB 3.8Å; A203-K231 HydrophobicContact CB-CG 3.43Å; A203-K231 VanDerWaalsContact CB-CG 3.43Å; A203-V234 HydrophobicContact CB-CG2 4.01Å; A203-V234 WeakPolarHBondContact O-CG2 3.49Å |
| 204 | E | 98 | Very high | 97 | Very high | 71 Ų | 71 | 38.4 Ų | 38.4 | 33% | 0.332 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -71.3 | -29.8 | 178.7 | -65.1 | -59 | 128.8 | 0 | 0 | 111.9 | I170 N202 R207 A208 | I170-E204 HydrophobicContact CD1-CB 3.74Å; N202-E204 VanDerWaalsContact C-N 3.34Å; N202-E204 PolarHBondContact O-N 2.94Å; N202-E204 WeakPolarHBondContact OD1-CB 3.43Å; N202-E204 PolarHBondContact OD1-N 3.22Å; E204-R207 PolarHBondContact O-N 3.04Å; E204-R207 IonicContact OE1-NE 3.65Å; E204-R207 IonicContact OE2-CZ 2.97Å; E204-R207 IonicContact OE2-NE 3.62Å; E204-R207 PolarHBondContact OE2-NE 3.34Å; E204-R207 IonicContact OE2-NH2 2.7Å; E204-R207 PolarHBondContact OE2-NH2 3.43Å; E204-A208 WeakPolarHBondContact O-CB 3.44Å; E204-A208 PolarHBondContact O-N 3.08Å |
| 205 | V | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.9 | -48.3 | 172 | -174.5 | 0 | 0 | 0 | 0 | 110.2 | P166 R169 I170 I196 D200 N202 A203 R207 A208 V209 | P166-V205 HydrophobicContact CB-CG2 3.8Å; R169-V205 HydrophobicContact CB-CG1 3.96Å; R169-V205 HydrophobicContact CB-CG2 4.18Å; I170-V205 HydrophobicContact CD1-CG2 4.35Å; I170-V205 HydrophobicContact CG1-CB 4.32Å; I170-V205 HydrophobicContact CG1-CG2 3.87Å; I196-V205 HydrophobicContact CG2-CG1 3.75Å; D200-V205 HydrophobicContact CB-CG1 4.5Å; D200-V205 WeakPolarHBondContact OD2-CG1 3.46Å; N202-V205 HydrophobicContact CB-CB 4.46Å; N202-V205 HydrophobicContact CB-CG2 3.85Å; N202-V205 PolarHBondContact O-N 3.39Å; N202-V205 PolarHBondContact OD1-N 2.89Å; A203-V205 VanDerWaalsContact C-N 3.32Å; A203-V205 PolarHBondContact O-N 2.84Å; V205-R207 VanDerWaalsContact C-N 3.28Å; V205-R207 PolarHBondContact O-N 2.93Å; V205-A208 PolarHBondContact O-N 2.92Å; V205-V209 PolarHBondContact O-N 3.38Å |
| 206 | R | 98.3 | Very high | 96.7 | Very high | 20 Ų | 20 | 35.4 Ų | 35.4 | 8% | 0.075 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.7 | -42 | 175.1 | -60.7 | -164.5 | -58.2 | -85.6 | 3.1 | 111.4 | L197 D200 S201 N202 A203 V209 L210 D229 | L197-R206 WeakPolarHBondContact CD2-O 3.38Å; L197-R206 WeakPolarHBondContact O-CD 3.43Å; D200-R206 HydrophobicContact CB-CG 4.07Å; D200-R206 WeakPolarHBondContact O-CD 3.29Å; D200-R206 PolarHBondContact O-NH1 3.34Å; S201-R206 PolarHBondContact O-NH1 2.92Å; N202-R206 PolarHBondContact O-N 3.22Å; A203-R206 PolarHBondContact O-N 3.43Å; R206-V209 PolarHBondContact O-N 2.82Å; R206-L210 VanDerWaalsContact O-CB 3.27Å; R206-L210 WeakPolarHBondContact O-CB 3.31Å; R206-L210 PolarHBondContact O-N 3.37Å; R206-D229 IonicContact CZ-OD1 3.28Å; R206-D229 IonicContact CZ-OD2 2.71Å; R206-D229 IonicContact NE-OD1 3.97Å; R206-D229 IonicContact NE-OD2 3.45Å; R206-D229 PolarHBondContact NE-OD2 2.97Å; R206-D229 IonicContact NH2-OD1 3.08Å; R206-D229 PolarHBondContact NH2-OD1 3.21Å; R206-D229 IonicContact NH2-OD2 3.35Å; R206-D229 PolarHBondContact NH2-OD2 3.13Å |
| 207 | R | 98.3 | Very high | 96.4 | Very high | 100 Ų | 100 | 40.6 Ų | 40.6 | 38% | 0.377 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.1 | -44.9 | 177 | -163.7 | 173.1 | 71.9 | 104.8 | -0.6 | 112.2 | A203 E204 V205 L210 S211 V234 L237 | A203-R207 VanDerWaalsContact O-CB 3.31Å; A203-R207 WeakPolarHBondContact O-CB 3.46Å; A203-R207 PolarHBondContact O-N 3.42Å; E204-R207 PolarHBondContact O-N 3.04Å; E204-R207 IonicContact OE1-NE 3.65Å; E204-R207 IonicContact OE2-CZ 2.97Å; E204-R207 IonicContact OE2-NE 3.62Å; E204-R207 PolarHBondContact OE2-NE 3.34Å; E204-R207 IonicContact OE2-NH2 2.7Å; E204-R207 PolarHBondContact OE2-NH2 3.43Å; V205-R207 VanDerWaalsContact C-N 3.28Å; V205-R207 PolarHBondContact O-N 2.93Å; R207-L210 WeakPolarHBondContact O-CB 3.35Å; R207-L210 PolarHBondContact O-N 2.87Å; R207-S211 PolarHBondContact O-N 3.26Å; R207-S211 VanDerWaalsContact O-N 3.12Å; R207-S211 PolarHBondContact O-OG 2.89Å; R207-V234 HydrophobicContact CB-CG2 4.23Å; R207-L237 HydrophobicContact CB-CD2 4.44Å; R207-L237 HydrophobicContact CG-CB 4.4Å; R207-L237 HydrophobicContact CG-CD2 3.38Å; R207-L237 VanDerWaalsContact O-CD2 3.26Å; R207-L237 WeakPolarHBondContact O-CD2 3.42Å |
| 208 | A | 97.9 | Very high | 96.2 | Very high | 10 Ų | 10 | 45.3 Ų | 45.3 | 8% | 0.083 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.5 | -47.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | I170 E204 V205 L210 S211 C212 | I170-A208 HydrophobicContact CB-CB 4.43Å; I170-A208 HydrophobicContact CG1-CB 4.24Å; I170-A208 HydrophobicContact CG2-CB 3.9Å; E204-A208 WeakPolarHBondContact O-CB 3.44Å; E204-A208 PolarHBondContact O-N 3.08Å; V205-A208 PolarHBondContact O-N 2.92Å; A208-L210 VanDerWaalsContact C-N 3.3Å; A208-L210 PolarHBondContact O-N 3.42Å; A208-S211 PolarHBondContact O-N 3.42Å; A208-S211 PolarHBondContact O-OG 3.33Å; A208-C212 PolarHBondContact O-N 3.23Å; A208-C212 PolarHBondContact O-SG 3.37Å |
| 209 | V | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61 | -40.5 | 176 | 170 | 0 | 0 | 0 | 0 | 111.7 | A173 Y193 I196 L197 V205 R206 S211 C212 I213 | A173-V209 HydrophobicContact CB-CG2 3.77Å; Y193-V209 VanDerWaalsContact CB-CG1 3.48Å; Y193-V209 HydrophobicContact CD1-CB 4.42Å; Y193-V209 HydrophobicContact CD1-CG1 3.81Å; Y193-V209 HydrophobicContact CD1-CG2 3.83Å; Y193-V209 HydrophobicContact CD2-CG1 4.15Å; Y193-V209 HydrophobicContact CE1-CG2 4.14Å; Y193-V209 HydrophobicContact CG-CG1 3.56Å; Y193-V209 HydrophobicContact CG-CG2 4.45Å; I196-V209 HydrophobicContact CB-CG2 4.18Å; I196-V209 HydrophobicContact CD1-CG2 4.05Å; I196-V209 HydrophobicContact CG2-CB 4.25Å; I196-V209 HydrophobicContact CG2-CG2 3.63Å; L197-V209 HydrophobicContact CD1-CG1 4.29Å; L197-V209 HydrophobicContact CD2-CB 4.14Å; L197-V209 HydrophobicContact CD2-CG1 3.85Å; L197-V209 HydrophobicContact CG-CB 4.5Å; L197-V209 HydrophobicContact CG-CG1 3.73Å; V205-V209 PolarHBondContact O-N 3.38Å; R206-V209 PolarHBondContact O-N 2.82Å; V209-S211 VanDerWaalsContact C-N 3.28Å; V209-S211 PolarHBondContact O-N 3.35Å; V209-C212 PolarHBondContact O-N 2.86Å; V209-I213 WeakPolarHBondContact O-CB 3.19Å; V209-I213 PolarHBondContact O-N 3.44Å |
| 210 | L | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.7 | -35.4 | 178.7 | -173 | 60.7 | 0 | 0 | 0 | 112.7 | L197 R206 R207 A208 V223 R226 V234 L237 A238 V241 | L197-L210 HydrophobicContact CD2-CB 4.09Å; L197-L210 HydrophobicContact CD2-CD1 4.49Å; R206-L210 VanDerWaalsContact O-CB 3.27Å; R206-L210 WeakPolarHBondContact O-CB 3.31Å; R206-L210 PolarHBondContact O-N 3.37Å; R207-L210 WeakPolarHBondContact O-CB 3.35Å; R207-L210 PolarHBondContact O-N 2.87Å; A208-L210 VanDerWaalsContact C-N 3.3Å; A208-L210 PolarHBondContact O-N 3.42Å; L210-V223 HydrophobicContact CD1-CB 4.33Å; L210-V223 HydrophobicContact CD1-CG1 3.89Å; L210-V223 HydrophobicContact CD1-CG2 4.09Å; L210-R226 HydrophobicContact CD1-CB 4.32Å; L210-R226 HydrophobicContact CD1-CG 4.23Å; L210-R226 HydrophobicContact CD2-CB 4.13Å; L210-R226 HydrophobicContact CD2-CG 4.45Å; L210-V234 HydrophobicContact CD2-CG1 4.01Å; L210-L237 HydrophobicContact CB-CD2 4.24Å; L210-L237 HydrophobicContact CD2-CB 4.18Å; L210-L237 HydrophobicContact CD2-CD2 4.25Å; L210-L237 HydrophobicContact CD2-CG 4.11Å; L210-L237 HydrophobicContact CG-CD2 4.33Å; L210-L237 HydrophobicContact CG-CG 4.34Å; L210-A238 HydrophobicContact CD2-CB 3.9Å; L210-V241 HydrophobicContact CG-CG2 4.42Å |
| 211 | S | 96.5 | Very high | 96.2 | Very high | 52 Ų | 52 | 39.6 Ų | 39.6 | 36% | 0.364 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -71.2 | -30.6 | 173.3 | 49.1 | 0 | 0 | 0 | 0 | 113.6 | R207 A208 V209 K245 | R207-S211 PolarHBondContact O-N 3.26Å; R207-S211 VanDerWaalsContact O-N 3.12Å; R207-S211 PolarHBondContact O-OG 2.89Å; A208-S211 PolarHBondContact O-N 3.42Å; A208-S211 PolarHBondContact O-OG 3.33Å; V209-S211 VanDerWaalsContact C-N 3.28Å; V209-S211 PolarHBondContact O-N 3.35Å; S211-K245 PolarHBondContact O-NZ 2.95Å |
| 212 | C | 95.5 | Very high | 96.2 | Very high | 10 Ų | 10 | 36.4 Ų | 36.4 | 7% | 0.068 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -88.4 | -36.5 | -173.4 | -63.6 | 0 | 0 | 0 | 0 | 113.9 | T177 Q180 Y193 A208 V209 A214 | T177-C212 HydrophobicContact CG2-CB 4.14Å; T177-C212 PolarHBondContact OG1-SG 2.91Å; Q180-C212 PolarHBondContact NE2-O 3.22Å; Y193-C212 HydrophobicContact CE2-CB 3.88Å; A208-C212 PolarHBondContact O-N 3.23Å; A208-C212 PolarHBondContact O-SG 3.37Å; V209-C212 PolarHBondContact O-N 2.86Å; C212-A214 PolarHBondContact O-N 3.37Å |
| 213 | I | 96.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -58.1 | 130.2 | -168.2 | -167.2 | 168.2 | 0 | 0 | 0 | 111.7 | Y193 M194 L197 V209 T219 V223 | Y193-I213 HydrophobicContact CD2-CB 3.96Å; Y193-I213 HydrophobicContact CD2-CG1 4.05Å; M194-I213 HydrophobicContact CG-CD1 4.4Å; L197-I213 HydrophobicContact CD1-CD1 3.9Å; V209-I213 WeakPolarHBondContact O-CB 3.19Å; V209-I213 PolarHBondContact O-N 3.44Å; I213-T219 HydrophobicContact CD1-CG2 3.65Å; I213-T219 HydrophobicContact CG1-CG2 3.86Å; I213-V223 HydrophobicContact CG2-CG2 3.91Å |
| 214 | A | 95.1 | Very high | 96.2 | Very high | 22 Ų | 22 | 34.4 Ų | 34.4 | 18% | 0.182 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -69.2 | 136.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | P182 C212 T219 | P182-A214 HydrophobicContact CB-CB 4.19Å; P182-A214 HydrophobicContact CG-CB 3.52Å; C212-A214 PolarHBondContact O-N 3.37Å; A214-T219 WeakPolarHBondContact O-CB 3.37Å; A214-T219 PolarHBondContact O-OG1 2.76Å |
| 215 | M | 94.5 | Very high | 96.1 | Very high | 51 Ų | 51 | 36.1 Ų | 36.1 | 25% | 0.251 | 19% | 0.189 | S | C | . | . | P | Polyproline II helix | trans | -80.3 | 125.9 | -179.1 | -163.9 | 61.9 | 60.2 | 0 | 0 | 110.4 | L220 V223 V241 K245 V246 | M215-L220 HydrophobicContact SD-CB 4.1Å; M215-L220 HydrophobicContact SD-CD1 3.89Å; M215-V223 HydrophobicContact CE-CG1 4.25Å; M215-V223 HydrophobicContact CE-CG2 4.24Å; M215-V241 HydrophobicContact CE-CG1 3.83Å; M215-K245 HydrophobicContact CB-CB 4.37Å; M215-K245 HydrophobicContact CE-CB 4.13Å; M215-V246 HydrophobicContact CE-CG2 3.58Å; M215-V246 HydrophobicContact CG-CG2 3.77Å; M215-V246 HydrophobicContact SD-CG2 3.59Å; M215-V246 VanDerWaalsContact SD-CG2 3.59Å |
| 216 | S | 92.9 | Very high | 96.1 | Very high | 19 Ų | 19 | 37.7 Ų | 37.7 | 13% | 0.133 | 20% | 0.195 | C | C | . | . | trans | -152.5 | 165.5 | 178.2 | 69.4 | 0 | 0 | 0 | 0 | 109.3 | R218 T219 L220 | S216-R218 PolarHBondContact O-N 3.23Å; S216-R218 VanDerWaalsContact O-N 3.13Å; S216-R218 PolarHBondContact OG-N 2.92Å; S216-T219 PolarHBondContact N-OG1 2.87Å; S216-T219 PolarHBondContact O-N 3.22Å; S216-T219 VanDerWaalsContact O-N 3.14Å; S216-T219 PolarHBondContact O-OG1 3.46Å; S216-T219 PolarHBondContact OG-N 3.42Å; S216-T219 PolarHBondContact OG-OG1 3.27Å; S216-L220 VanDerWaalsContact O-CB 3.32Å; S216-L220 WeakPolarHBondContact O-CB 3.47Å; S216-L220 PolarHBondContact O-N 3.27Å | ||
| 217 | P | 91.5 | Very high | 96 | Very high | 121 Ų | 121 | 37 Ų | 37 | 79% | 0.786 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -29.9 | 173.6 | -27 | 35.9 | 0 | 0 | 0 | 113.7 | P221 | P217-P221 WeakPolarHBondContact O-CD 3.38Š|
| 218 | R | 92.8 | Very high | 95.9 | Very high | 100 Ų | 100 | 40.8 Ų | 40.8 | 38% | 0.377 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -39 | 177.7 | -68.2 | 179.8 | 64.4 | -133.7 | 5.1 | 113 | P185 N191 S216 | P185-R218 PolarHBondContact O-NH1 2.84Å; P185-R218 PolarHBondContact O-NH2 2.58Å; N191-R218 PolarHBondContact OD1-NH2 2.99Å; N191-R218 VanDerWaalsContact OD1-NH2 3.1Å; S216-R218 PolarHBondContact O-N 3.23Å; S216-R218 VanDerWaalsContact O-N 3.13Å; S216-R218 PolarHBondContact OG-N 2.92Å |
| 219 | T | 95.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -27.8 | -175.6 | 55.3 | 0 | 0 | 0 | 0 | 112.9 | I190 M194 I213 A214 S216 K222 V223 | I190-T219 HydrophobicContact CG2-CG2 3.54Å; M194-T219 HydrophobicContact CG-CG2 4.37Å; M194-T219 HydrophobicContact SD-CG2 4.38Å; I213-T219 HydrophobicContact CD1-CG2 3.65Å; I213-T219 HydrophobicContact CG1-CG2 3.86Å; A214-T219 WeakPolarHBondContact O-CB 3.37Å; A214-T219 PolarHBondContact O-OG1 2.76Å; S216-T219 PolarHBondContact N-OG1 2.87Å; S216-T219 PolarHBondContact O-N 3.22Å; S216-T219 VanDerWaalsContact O-N 3.14Å; S216-T219 PolarHBondContact O-OG1 3.46Å; S216-T219 PolarHBondContact OG-N 3.42Å; S216-T219 PolarHBondContact OG-OG1 3.27Å; T219-K222 WeakPolarHBondContact O-CB 3.19Å; T219-K222 PolarHBondContact O-N 3.03Å; T219-V223 PolarHBondContact O-N 3.45Å |
| 220 | L | 95.6 | Very high | 95.7 | Very high | 17 Ų | 17 | 48 Ų | 48 | 9% | 0.089 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -53.3 | -47.3 | -178.6 | 175.2 | 64.3 | 0 | 0 | 0 | 113.5 | M215 S216 K222 V223 L224 L242 V246 L251 | M215-L220 HydrophobicContact SD-CB 4.1Å; M215-L220 HydrophobicContact SD-CD1 3.89Å; S216-L220 VanDerWaalsContact O-CB 3.32Å; S216-L220 WeakPolarHBondContact O-CB 3.47Å; S216-L220 PolarHBondContact O-N 3.27Å; L220-K222 PolarHBondContact O-N 3.26Å; L220-V223 PolarHBondContact O-N 2.98Å; L220-L224 HydrophobicContact CD1-CD1 4.19Å; L220-L224 HydrophobicContact CD1-CG 4.03Å; L220-L224 HydrophobicContact CG-CD1 4.05Å; L220-L224 HydrophobicContact CG-CG 4.36Å; L220-L224 WeakPolarHBondContact O-CG 3.42Å; L220-L224 PolarHBondContact O-N 3.06Å; L220-L242 HydrophobicContact CD1-CD2 3.96Å; L220-V246 HydrophobicContact CD1-CG1 4.19Å; L220-V246 HydrophobicContact CD1-CG2 3.96Å; L220-L251 HydrophobicContact CD1-CD2 4.16Å; L220-L251 HydrophobicContact CD2-CD2 4.22Å |
| 221 | P | 95.9 | Very high | 95.7 | Very high | 59 Ų | 59 | 53.5 Ų | 53.5 | 38% | 0.383 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59 | -34.1 | 176.5 | -25.5 | 34.8 | 0 | 0 | 0 | 113.6 | P217 K225 | P217-P221 WeakPolarHBondContact O-CD 3.38Å; P221-K225 WeakPolarHBondContact O-CG 3.3Å; P221-K225 PolarHBondContact O-N 3.31Å; P221-K225 VanDerWaalsContact O-N 3.13Å |
| 222 | K | 96.3 | Very high | 95.7 | Very high | 48 Ų | 48 | 55.3 Ų | 55.3 | 21% | 0.209 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -72.8 | -38.7 | 179.4 | -55.7 | -67.9 | 178.4 | 172 | 0 | 111.2 | M194 L197 E198 T219 L220 | M194-K222 HydrophobicContact CB-CG 4.21Å; M194-K222 HydrophobicContact CG-CG 3.92Å; M194-K222 HydrophobicContact SD-CG 4.04Å; L197-K222 HydrophobicContact CD1-CB 4.26Å; E198-K222 HydrophobicContact CG-CD 4.09Å; E198-K222 WeakPolarHBondContact OE1-CD 3.27Å; E198-K222 WeakPolarHBondContact OE1-CE 3.27Å; E198-K222 IonicContact OE1-NZ 3.88Å; E198-K222 PolarHBondContact OE1-NZ 2.85Å; E198-K222 IonicContact OE2-NZ 2.85Å; E198-K222 PolarHBondContact OE2-NZ 3.14Å; T219-K222 WeakPolarHBondContact O-CB 3.19Å; T219-K222 PolarHBondContact O-N 3.03Å; L220-K222 PolarHBondContact O-N 3.26Å |
| 223 | V | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.6 | -46.3 | 173.3 | 174 | 0 | 0 | 0 | 0 | 110.8 | L210 I213 M215 T219 L220 K225 R226 V241 L242 | L210-V223 HydrophobicContact CD1-CB 4.33Å; L210-V223 HydrophobicContact CD1-CG1 3.89Å; L210-V223 HydrophobicContact CD1-CG2 4.09Å; I213-V223 HydrophobicContact CG2-CG2 3.91Å; M215-V223 HydrophobicContact CE-CG1 4.25Å; M215-V223 HydrophobicContact CE-CG2 4.24Å; T219-V223 PolarHBondContact O-N 3.45Å; L220-V223 PolarHBondContact O-N 2.98Å; V223-K225 VanDerWaalsContact C-N 3.3Å; V223-K225 PolarHBondContact O-N 3.14Å; V223-R226 VanDerWaalsContact O-CB 3.31Å; V223-R226 WeakPolarHBondContact O-CB 3.3Å; V223-R226 PolarHBondContact O-N 3.23Å; V223-V241 HydrophobicContact CG1-CG1 4.25Å; V223-L242 HydrophobicContact CG1-CD2 3.85Å; V223-L242 HydrophobicContact CG1-CG 4.15Å |
| 224 | L | 97.2 | Very high | 95.9 | Very high | 22 Ų | 22 | 58.7 Ų | 58.7 | 12% | 0.115 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.5 | -42.4 | 177 | -73 | 171.7 | 0 | 0 | 0 | 111.6 | L220 R226 T227 L242 L251 Q255 L259 | L220-L224 HydrophobicContact CD1-CD1 4.19Å; L220-L224 HydrophobicContact CD1-CG 4.03Å; L220-L224 HydrophobicContact CG-CD1 4.05Å; L220-L224 HydrophobicContact CG-CG 4.36Å; L220-L224 WeakPolarHBondContact O-CG 3.42Å; L220-L224 PolarHBondContact O-N 3.06Å; L224-R226 PolarHBondContact O-N 3.2Å; L224-R226 VanDerWaalsContact O-N 3.08Å; L224-T227 PolarHBondContact O-N 3.17Å; L224-T227 VanDerWaalsContact O-N 3.07Å; L224-T227 PolarHBondContact O-OG1 3.41Å; L224-L242 HydrophobicContact CD2-CD1 3.88Å; L224-L242 HydrophobicContact CD2-CD2 3.87Å; L224-L242 HydrophobicContact CG-CD2 4.46Å; L224-L251 HydrophobicContact CD1-CD2 4.27Å; L224-L251 HydrophobicContact CD2-CD2 4.11Å; L224-Q255 HydrophobicContact CD1-CG 4.03Å; L224-L259 HydrophobicContact CD2-CD1 3.83Å; L224-L259 HydrophobicContact CD2-CD2 3.86Å; L224-L259 HydrophobicContact CD2-CG 4.09Å |
| 225 | K | 96.5 | Very high | 96.1 | Very high | 108 Ų | 108 | 59.5 Ų | 59.5 | 47% | 0.47 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.1 | -22.6 | 175.2 | -74.7 | -178.6 | -174.5 | -176.2 | 0 | 113.6 | E198 P221 V223 T227 R228 | E198-K225 IonicContact OE1-NZ 2.76Å; E198-K225 PolarHBondContact OE1-NZ 3.19Å; P221-K225 WeakPolarHBondContact O-CG 3.3Å; P221-K225 PolarHBondContact O-N 3.31Å; P221-K225 VanDerWaalsContact O-N 3.13Å; V223-K225 VanDerWaalsContact C-N 3.3Å; V223-K225 PolarHBondContact O-N 3.14Å; K225-T227 VanDerWaalsContact C-N 3.29Å; K225-T227 PolarHBondContact O-N 3.26Å; K225-R228 PolarHBondContact O-N 3.24Å |
| 226 | R | 97.8 | Very high | 96.3 | Very high | 33 Ų | 33 | 60.4 Ų | 60.4 | 13% | 0.125 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -76.1 | -10.8 | 178 | -66.1 | -55.9 | 90.7 | 177.2 | 15.5 | 113.9 | L197 L210 V223 L224 R228 D229 V234 R235 A238 | L197-R226 HydrophobicContact CD2-CG 4.11Å; L197-R226 PolarHBondContact O-NE 3.31Å; L197-R226 PolarHBondContact O-NH1 3.35Å; L197-R226 PolarHBondContact O-NH2 3.27Å; L210-R226 HydrophobicContact CD1-CB 4.32Å; L210-R226 HydrophobicContact CD1-CG 4.23Å; L210-R226 HydrophobicContact CD2-CB 4.13Å; L210-R226 HydrophobicContact CD2-CG 4.45Å; V223-R226 VanDerWaalsContact O-CB 3.31Å; V223-R226 WeakPolarHBondContact O-CB 3.3Å; V223-R226 PolarHBondContact O-N 3.23Å; L224-R226 PolarHBondContact O-N 3.2Å; L224-R226 VanDerWaalsContact O-N 3.08Å; R226-R228 PolarHBondContact O-N 2.94Å; R226-D229 IonicContact CZ-OD2 2.79Å; R226-D229 IonicContact NE-OD2 3.11Å; R226-D229 IonicContact NH1-OD2 3.53Å; R226-D229 PolarHBondContact NH1-OD2 3.05Å; R226-D229 WeakPolarHBondContact O-CB 3.36Å; R226-D229 PolarHBondContact O-N 3.28Å; R226-V234 HydrophobicContact CB-CG1 4.23Å; R226-V234 HydrophobicContact CG-CG1 4.47Å; R226-R235 WeakPolarHBondContact O-CA 3.34Å; R226-A238 HydrophobicContact CB-CB 3.94Å |
| 227 | T | 97.6 | Very high | 96.5 | Very high | 5 Ų | 5 | 60.7 Ų | 60.7 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -67.1 | -15.4 | 167.4 | 64.4 | 0 | 0 | 0 | 0 | 112.4 | L224 K225 R235 A238 Y239 L242 L259 Q262 | L224-T227 PolarHBondContact O-N 3.17Å; L224-T227 VanDerWaalsContact O-N 3.07Å; L224-T227 PolarHBondContact O-OG1 3.41Å; K225-T227 VanDerWaalsContact C-N 3.29Å; K225-T227 PolarHBondContact O-N 3.26Å; T227-R235 WeakPolarHBondContact O-CD 3.45Å; T227-R235 VanDerWaalsContact O-CG 3.26Å; T227-R235 WeakPolarHBondContact O-CG 3.38Å; T227-A238 HydrophobicContact CG2-CB 3.94Å; T227-Y239 HydrophobicContact CG2-CD1 4.31Å; T227-Y239 HydrophobicContact CG2-CD2 4.37Å; T227-Y239 HydrophobicContact CG2-CE1 4Å; T227-Y239 HydrophobicContact CG2-CE2 4.05Å; T227-Y239 HydrophobicContact CG2-CG 4.49Å; T227-L242 HydrophobicContact CG2-CD1 3.85Å; T227-L259 HydrophobicContact CG2-CD2 3.61Å; T227-Q262 PolarHBondContact OG1-OE1 2.94Å; T227-Q262 VanDerWaalsContact OG1-OE1 3.11Å |
| 228 | R | 96.1 | Very high | 96.8 | Very high | 179 Ų | 179 | 54.9 Ų | 54.9 | 68% | 0.675 | 25% | 0.25 | S | C | * | . | G | 310 helix | trans | -109.6 | 22.2 | 174.8 | -59.1 | -174.6 | 174.4 | 122.8 | -16.9 | 113.2 | K225 R226 Q262 | K225-R228 PolarHBondContact O-N 3.24Å; R226-R228 PolarHBondContact O-N 2.94Å; R228-Q262 VanDerWaalsContact CG-OE1 3.26Å; R228-Q262 VanDerWaalsContact CZ-CD 3.47Å; R228-Q262 VanDerWaalsContact NE-CD 3.26Å |
| 229 | D | 97.6 | Very high | 97.1 | Very high | 7 Ų | 7 | 50.1 Ų | 50.1 | 4% | 0.037 | 23% | 0.232 | C | C | . | . | trans | -65 | 144.2 | 176.7 | -164.7 | -74.3 | 0 | 0 | 0 | 111.9 | R206 R226 K231 V234 R235 | R206-D229 IonicContact CZ-OD1 3.28Å; R206-D229 IonicContact CZ-OD2 2.71Å; R206-D229 IonicContact NE-OD1 3.97Å; R206-D229 IonicContact NE-OD2 3.45Å; R206-D229 PolarHBondContact NE-OD2 2.97Å; R206-D229 IonicContact NH2-OD1 3.08Å; R206-D229 PolarHBondContact NH2-OD1 3.21Å; R206-D229 IonicContact NH2-OD2 3.35Å; R206-D229 PolarHBondContact NH2-OD2 3.13Å; R226-D229 IonicContact CZ-OD2 2.79Å; R226-D229 IonicContact NE-OD2 3.11Å; R226-D229 IonicContact NH1-OD2 3.53Å; R226-D229 PolarHBondContact NH1-OD2 3.05Å; R226-D229 WeakPolarHBondContact O-CB 3.36Å; R226-D229 PolarHBondContact O-N 3.28Å; D229-K231 PolarHBondContact O-N 2.87Å; D229-K231 VanDerWaalsContact O-N 3.11Å; D229-K231 PolarHBondContact OD1-N 2.95Å; D229-V234 HydrophobicContact CB-CB 3.81Å; D229-V234 HydrophobicContact CB-CG1 3.7Å; D229-R235 HydrophobicContact CB-CG 3.92Å; D229-R235 WeakPolarHBondContact O-CD 3.24Å; D229-R235 VanDerWaalsContact O-CG 3.24Å; D229-R235 WeakPolarHBondContact O-CG 3.46Å; D229-R235 PolarHBondContact O-NE 2.92Å | ||
| 230 | I | 94.4 | Very high | 97.2 | Very high | 154 Ų | 154 | 53.1 Ų | 53.1 | 79% | 0.79 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -56.3 | -30 | 178.5 | -59.8 | 171.8 | 0 | 0 | 0 | 111.9 | ||
| 231 | K | 96.7 | Very high | 97.3 | Very high | 117 Ų | 117 | 52.4 Ų | 52.4 | 51% | 0.509 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -101.1 | 128.8 | -179.1 | -62.8 | -51.6 | -173.3 | -176.9 | 0 | 112.1 | A203 D229 N233 V234 R235 | A203-K231 HydrophobicContact CB-CB 3.8Å; A203-K231 HydrophobicContact CB-CG 3.43Å; A203-K231 VanDerWaalsContact CB-CG 3.43Å; D229-K231 PolarHBondContact O-N 2.87Å; D229-K231 VanDerWaalsContact O-N 3.11Å; D229-K231 PolarHBondContact OD1-N 2.95Å; K231-N233 VanDerWaalsContact C-N 3.33Å; K231-N233 PolarHBondContact O-N 3.26Å; K231-V234 HydrophobicContact CB-CG2 4.25Å; K231-V234 PolarHBondContact O-N 2.83Å; K231-V234 VanDerWaalsContact O-N 3.11Å; K231-R235 PolarHBondContact O-N 2.84Å |
| 232 | E | 97.5 | Very high | 97.4 | Very high | 90 Ų | 90 | 49.7 Ų | 49.7 | 42% | 0.421 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -55.5 | -40.6 | -178.7 | 66.5 | 176.3 | 179.3 | 0 | 0 | 114 | V234 R235 K236 S268 V271 | E232-V234 PolarHBondContact O-N 3.15Å; E232-R235 PolarHBondContact O-N 3.47Å; E232-R235 VanDerWaalsContact O-N 3.16Å; E232-K236 WeakPolarHBondContact O-CB 3.3Å; E232-K236 PolarHBondContact O-N 2.88Å; E232-S268 WeakPolarHBondContact OE2-CB 3.38Å; E232-S268 PolarHBondContact OE2-OG 3.34Å; E232-V271 HydrophobicContact CB-CG2 4.49Å |
| 233 | N | 97.4 | Very high | 97.4 | Very high | 81 Ų | 81 | 47.6 Ų | 47.6 | 43% | 0.433 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.4 | -27.6 | -178 | -70.1 | -29.5 | 0 | 0 | 0 | 112.6 | K231 L237 | K231-N233 VanDerWaalsContact C-N 3.33Å; K231-N233 PolarHBondContact O-N 3.26Å; N233-L237 WeakPolarHBondContact O-CB 3.38Å; N233-L237 PolarHBondContact O-N 3.31Å |
| 234 | V | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -76.1 | -45.1 | 175.3 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | A203 R207 L210 R226 D229 K231 E232 K236 L237 A238 | A203-V234 HydrophobicContact CB-CG2 4.01Å; A203-V234 WeakPolarHBondContact O-CG2 3.49Å; R207-V234 HydrophobicContact CB-CG2 4.23Å; L210-V234 HydrophobicContact CD2-CG1 4.01Å; R226-V234 HydrophobicContact CB-CG1 4.23Å; R226-V234 HydrophobicContact CG-CG1 4.47Å; D229-V234 HydrophobicContact CB-CB 3.81Å; D229-V234 HydrophobicContact CB-CG1 3.7Å; K231-V234 HydrophobicContact CB-CG2 4.25Å; K231-V234 PolarHBondContact O-N 2.83Å; K231-V234 VanDerWaalsContact O-N 3.11Å; E232-V234 PolarHBondContact O-N 3.15Å; V234-K236 PolarHBondContact O-N 3.07Å; V234-L237 PolarHBondContact O-N 3.2Å; V234-A238 PolarHBondContact O-N 2.83Å |
| 235 | R | 98.4 | Very high | 97.1 | Very high | 38 Ų | 38 | 55.8 Ų | 55.8 | 14% | 0.143 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59 | -46.7 | 175.9 | -63 | -169.7 | -72.8 | 151.3 | 15.2 | 111.8 | R226 T227 D229 K231 E232 L237 A238 Y239 D266 V271 | R226-R235 WeakPolarHBondContact O-CA 3.34Å; T227-R235 WeakPolarHBondContact O-CD 3.45Å; T227-R235 VanDerWaalsContact O-CG 3.26Å; T227-R235 WeakPolarHBondContact O-CG 3.38Å; D229-R235 HydrophobicContact CB-CG 3.92Å; D229-R235 WeakPolarHBondContact O-CD 3.24Å; D229-R235 VanDerWaalsContact O-CG 3.24Å; D229-R235 WeakPolarHBondContact O-CG 3.46Å; D229-R235 PolarHBondContact O-NE 2.92Å; K231-R235 PolarHBondContact O-N 2.84Å; E232-R235 PolarHBondContact O-N 3.47Å; E232-R235 VanDerWaalsContact O-N 3.16Å; R235-L237 PolarHBondContact O-N 3.44Å; R235-A238 WeakPolarHBondContact O-CB 3.31Å; R235-A238 PolarHBondContact O-N 2.96Å; R235-A238 VanDerWaalsContact O-N 3.13Å; R235-Y239 VanDerWaalsContact O-CD2 3.24Å; R235-Y239 WeakPolarHBondContact O-CD2 3.31Å; R235-Y239 PolarHBondContact O-N 2.79Å; R235-Y239 VanDerWaalsContact O-N 3.17Å; R235-D266 IonicContact CZ-OD1 3.76Å; R235-D266 IonicContact CZ-OD2 3.41Å; R235-D266 IonicContact NE-OD2 2.73Å; R235-D266 IonicContact NH1-OD1 3.88Å; R235-D266 PolarHBondContact NH1-OD1 2.98Å; R235-D266 IonicContact NH1-OD2 3.11Å; R235-D266 PolarHBondContact NH1-OD2 2.7Å; R235-D266 IonicContact NH2-OD1 2.8Å; R235-D266 PolarHBondContact NH2-OD1 3.42Å; R235-D266 IonicContact NH2-OD2 3.3Å; R235-V271 HydrophobicContact CB-CG1 4.46Å; R235-V271 HydrophobicContact CB-CG2 4.16Å |
| 236 | K | 98.3 | Very high | 97 | Very high | 70 Ų | 70 | 50.9 Ų | 50.9 | 30% | 0.304 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -56.2 | -49 | 175.8 | -179.1 | 175 | 179.3 | 168.9 | 0 | 111.9 | E232 V234 A238 Y239 Q240 V271 I274 | E232-K236 WeakPolarHBondContact O-CB 3.3Å; E232-K236 PolarHBondContact O-N 2.88Å; V234-K236 PolarHBondContact O-N 3.07Å; K236-A238 VanDerWaalsContact C-N 3.3Å; K236-A238 PolarHBondContact O-N 3.35Å; K236-Y239 PolarHBondContact O-N 3.02Å; K236-Q240 PolarHBondContact O-N 3.01Å; K236-V271 HydrophobicContact CB-CG2 4.22Å; K236-I274 HydrophobicContact CG-CB 4.16Å; K236-I274 HydrophobicContact CG-CG1 4.35Å; K236-I274 HydrophobicContact CG-CG2 4.1Å |
| 237 | L | 98.4 | Very high | 96.7 | Very high | 25 Ų | 25 | 52.6 Ų | 52.6 | 13% | 0.131 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.4 | -34.3 | 177.8 | -178.8 | 62.9 | 0 | 0 | 0 | 111.9 | R207 L210 N233 V234 R235 Y239 Q240 V241 | R207-L237 HydrophobicContact CB-CD2 4.44Å; R207-L237 HydrophobicContact CG-CB 4.4Å; R207-L237 HydrophobicContact CG-CD2 3.38Å; R207-L237 VanDerWaalsContact O-CD2 3.26Å; R207-L237 WeakPolarHBondContact O-CD2 3.42Å; L210-L237 HydrophobicContact CB-CD2 4.24Å; L210-L237 HydrophobicContact CD2-CB 4.18Å; L210-L237 HydrophobicContact CD2-CD2 4.25Å; L210-L237 HydrophobicContact CD2-CG 4.11Å; L210-L237 HydrophobicContact CG-CD2 4.33Å; L210-L237 HydrophobicContact CG-CG 4.34Å; N233-L237 WeakPolarHBondContact O-CB 3.38Å; N233-L237 PolarHBondContact O-N 3.31Å; V234-L237 PolarHBondContact O-N 3.2Å; R235-L237 PolarHBondContact O-N 3.44Å; L237-Y239 PolarHBondContact O-N 2.89Å; L237-Q240 HydrophobicContact CD1-CB 4.48Å; L237-Q240 PolarHBondContact O-N 3.21Å; L237-V241 HydrophobicContact CD1-CG2 4.07Å; L237-V241 HydrophobicContact CG-CG2 4.13Å; L237-V241 WeakPolarHBondContact O-CB 3.43Å; L237-V241 WeakPolarHBondContact O-CG2 3.5Å; L237-V241 PolarHBondContact O-N 3.12Å |
| 238 | A | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.2 | -48.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L210 R226 T227 V234 R235 K236 Q240 V241 L242 | L210-A238 HydrophobicContact CD2-CB 3.9Å; R226-A238 HydrophobicContact CB-CB 3.94Å; T227-A238 HydrophobicContact CG2-CB 3.94Å; V234-A238 PolarHBondContact O-N 2.83Å; R235-A238 WeakPolarHBondContact O-CB 3.31Å; R235-A238 PolarHBondContact O-N 2.96Å; R235-A238 VanDerWaalsContact O-N 3.13Å; K236-A238 VanDerWaalsContact C-N 3.3Å; K236-A238 PolarHBondContact O-N 3.35Å; A238-Q240 VanDerWaalsContact C-N 3.32Å; A238-Q240 PolarHBondContact O-N 2.88Å; A238-V241 PolarHBondContact O-N 3.34Å; A238-L242 WeakPolarHBondContact O-CB 3.39Å; A238-L242 WeakPolarHBondContact O-CG 3.49Å; A238-L242 PolarHBondContact O-N 3.02Å |
| 239 | Y | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.3 | -39.7 | 175.5 | -75.4 | -70 | 0 | 0 | 0 | 112.7 | T227 R235 K236 L237 L242 S243 L259 G263 V271 I274 V275 L279 | T227-Y239 HydrophobicContact CG2-CD1 4.31Å; T227-Y239 HydrophobicContact CG2-CD2 4.37Å; T227-Y239 HydrophobicContact CG2-CE1 4Å; T227-Y239 HydrophobicContact CG2-CE2 4.05Å; T227-Y239 HydrophobicContact CG2-CG 4.49Å; R235-Y239 VanDerWaalsContact O-CD2 3.24Å; R235-Y239 WeakPolarHBondContact O-CD2 3.31Å; R235-Y239 PolarHBondContact O-N 2.79Å; R235-Y239 VanDerWaalsContact O-N 3.17Å; K236-Y239 PolarHBondContact O-N 3.02Å; L237-Y239 PolarHBondContact O-N 2.89Å; Y239-L242 PolarHBondContact O-N 3.4Å; Y239-S243 PolarHBondContact O-N 3.44Å; Y239-S243 PolarHBondContact O-OG 2.9Å; Y239-L259 HydrophobicContact CD1-CD2 4.42Å; Y239-L259 HydrophobicContact CE1-CB 4.33Å; Y239-L259 HydrophobicContact CE1-CD2 3.81Å; Y239-L259 PolarHBondContact OH-O 3.1Å; Y239-G263 WeakPolarHBondContact OH-CA 3.48Å; Y239-G263 PolarHBondContact OH-N 3.1Å; Y239-G263 VanDerWaalsContact OH-N 3.1Å; Y239-V271 HydrophobicContact CD2-CG1 3.64Å; Y239-V271 HydrophobicContact CE2-CG1 3.5Å; Y239-V271 VanDerWaalsContact CE2-CG1 3.5Å; Y239-I274 HydrophobicContact CD2-CG2 4.21Å; Y239-I274 HydrophobicContact CG-CG2 4.18Å; Y239-V275 HydrophobicContact CD1-CG2 3.77Å; Y239-V275 HydrophobicContact CD2-CG2 4.19Å; Y239-V275 HydrophobicContact CE1-CG2 3.88Å; Y239-V275 HydrophobicContact CE2-CG2 4.3Å; Y239-V275 HydrophobicContact CG-CG2 3.94Å; Y239-L279 HydrophobicContact CD1-CD2 4.04Å; Y239-L279 HydrophobicContact CE1-CD2 4.41Å |
| 240 | Q | 97.8 | Very high | 95.9 | Very high | 62 Ų | 62 | 53 Ų | 53 | 29% | 0.29 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62 | -47.9 | 175.3 | -177.2 | 179.2 | -5.9 | 0 | 0 | 111.8 | K236 L237 A238 L242 S243 E244 I274 | K236-Q240 PolarHBondContact O-N 3.01Å; L237-Q240 HydrophobicContact CD1-CB 4.48Å; L237-Q240 PolarHBondContact O-N 3.21Å; A238-Q240 VanDerWaalsContact C-N 3.32Å; A238-Q240 PolarHBondContact O-N 2.88Å; Q240-L242 VanDerWaalsContact C-N 3.31Å; Q240-L242 PolarHBondContact O-N 3.22Å; Q240-S243 PolarHBondContact O-N 2.96Å; Q240-S243 VanDerWaalsContact O-N 3.17Å; Q240-S243 PolarHBondContact O-OG 3.44Å; Q240-E244 WeakPolarHBondContact CG-OE1 3.48Å; Q240-E244 PolarHBondContact NE2-OE1 3.16Å; Q240-E244 WeakPolarHBondContact O-CG 3.44Å; Q240-E244 PolarHBondContact O-N 3.33Å; Q240-I274 HydrophobicContact CB-CG1 4.32Å |
| 241 | V | 97.1 | Very high | 95.9 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.3 | -41 | 177.8 | 168.7 | 0 | 0 | 0 | 0 | 111 | L210 M215 V223 L237 A238 E244 K245 | L210-V241 HydrophobicContact CG-CG2 4.42Å; M215-V241 HydrophobicContact CE-CG1 3.83Å; V223-V241 HydrophobicContact CG1-CG1 4.25Å; L237-V241 HydrophobicContact CD1-CG2 4.07Å; L237-V241 HydrophobicContact CG-CG2 4.13Å; L237-V241 WeakPolarHBondContact O-CB 3.43Å; L237-V241 WeakPolarHBondContact O-CG2 3.5Å; L237-V241 PolarHBondContact O-N 3.12Å; A238-V241 PolarHBondContact O-N 3.34Å; V241-E244 PolarHBondContact O-N 3.38Å; V241-K245 HydrophobicContact CG1-CD 4.14Å; V241-K245 HydrophobicContact CG1-CG 4.48Å; V241-K245 WeakPolarHBondContact O-CB 3.37Å; V241-K245 PolarHBondContact O-N 3.34Å |
| 242 | L | 97.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.5 | -40.8 | 175.9 | -68.6 | 169 | 0 | 0 | 0 | 111.6 | L220 V223 L224 T227 A238 Y239 Q240 V246 L259 L279 | L220-L242 HydrophobicContact CD1-CD2 3.96Å; V223-L242 HydrophobicContact CG1-CD2 3.85Å; V223-L242 HydrophobicContact CG1-CG 4.15Å; L224-L242 HydrophobicContact CD2-CD1 3.88Å; L224-L242 HydrophobicContact CD2-CD2 3.87Å; L224-L242 HydrophobicContact CG-CD2 4.46Å; T227-L242 HydrophobicContact CG2-CD1 3.85Å; A238-L242 WeakPolarHBondContact O-CB 3.39Å; A238-L242 WeakPolarHBondContact O-CG 3.49Å; A238-L242 PolarHBondContact O-N 3.02Å; Y239-L242 PolarHBondContact O-N 3.4Å; Q240-L242 VanDerWaalsContact C-N 3.31Å; Q240-L242 PolarHBondContact O-N 3.22Å; L242-V246 HydrophobicContact CD2-CB 4.48Å; L242-V246 HydrophobicContact CD2-CG2 3.83Å; L242-V246 WeakPolarHBondContact O-CB 3.37Å; L242-V246 PolarHBondContact O-N 3.3Å; L242-V246 VanDerWaalsContact O-N 3.15Å; L242-L259 HydrophobicContact CD1-CD1 4.19Å; L242-L259 HydrophobicContact CD1-CD2 3.64Å; L242-L279 HydrophobicContact CB-CD1 4.42Å |
| 243 | S | 96.2 | Very high | 95.7 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 4% | 0.035 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.1 | -38.5 | 178.4 | 66.8 | 0 | 0 | 0 | 0 | 113.2 | Y239 Q240 R286 | Y239-S243 PolarHBondContact O-N 3.44Å; Y239-S243 PolarHBondContact O-OG 2.9Å; Q240-S243 PolarHBondContact O-N 2.96Å; Q240-S243 VanDerWaalsContact O-N 3.17Å; Q240-S243 PolarHBondContact O-OG 3.44Å; S243-R286 PolarHBondContact O-NH2 3.47Å |
| 244 | E | 95.4 | Very high | 95.5 | Very high | 106 Ų | 106 | 43.1 Ų | 43.1 | 50% | 0.495 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -82.1 | -46.9 | -176 | -68.7 | 169.7 | -171.4 | 0 | 0 | 111 | Q240 V241 R286 | Q240-E244 WeakPolarHBondContact CG-OE1 3.48Å; Q240-E244 PolarHBondContact NE2-OE1 3.16Å; Q240-E244 WeakPolarHBondContact O-CG 3.44Å; Q240-E244 PolarHBondContact O-N 3.33Å; V241-E244 PolarHBondContact O-N 3.38Å; E244-R286 PolarHBondContact O-NH2 3.11Å |
| 245 | K | 94 | Very high | 95.4 | Very high | 88 Ų | 88 | 46 Ų | 46 | 38% | 0.383 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -102.2 | -8.8 | -166.7 | -53.6 | -170 | -172.1 | 178.4 | 0 | 115.2 | S211 M215 V241 | S211-K245 PolarHBondContact O-NZ 2.95Å; M215-K245 HydrophobicContact CB-CB 4.37Å; M215-K245 HydrophobicContact CE-CB 4.13Å; V241-K245 HydrophobicContact CG1-CD 4.14Å; V241-K245 HydrophobicContact CG1-CG 4.48Å; V241-K245 WeakPolarHBondContact O-CB 3.37Å; V241-K245 PolarHBondContact O-N 3.34Å |
| 246 | V | 93.9 | Very high | 95.4 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.024 | 24% | 0.238 | C | C | . | . | trans | -121.3 | 129.1 | -174 | -173.5 | 0 | 0 | 0 | 0 | 112 | M215 L220 L242 A250 L251 R286 | M215-V246 HydrophobicContact CE-CG2 3.58Å; M215-V246 HydrophobicContact CG-CG2 3.77Å; M215-V246 HydrophobicContact SD-CG2 3.59Å; M215-V246 VanDerWaalsContact SD-CG2 3.59Å; L220-V246 HydrophobicContact CD1-CG1 4.19Å; L220-V246 HydrophobicContact CD1-CG2 3.96Å; L242-V246 HydrophobicContact CD2-CB 4.48Å; L242-V246 HydrophobicContact CD2-CG2 3.83Å; L242-V246 WeakPolarHBondContact O-CB 3.37Å; L242-V246 PolarHBondContact O-N 3.3Å; L242-V246 VanDerWaalsContact O-N 3.15Å; V246-A250 HydrophobicContact CG1-CB 4.13Å; V246-L251 HydrophobicContact CG1-CD1 4.46Å; V246-L251 HydrophobicContact CG1-CD2 4.08Å; V246-L251 HydrophobicContact CG1-CG 4.05Å; V246-R286 VanDerWaalsContact O-CZ 3.23Å; V246-R286 PolarHBondContact O-NH1 3.35Å; V246-R286 PolarHBondContact O-NH2 3.31Å | ||
| 247 | H | 91.6 | Very high | 95.2 | Very high | 70 Ų | 70 | 42.4 Ų | 42.4 | 32% | 0.324 | 23% | 0.227 | S | C | . | . | trans | -79.3 | 140.1 | 172.1 | -164.7 | -79 | 0 | 0 | 0 | 110.9 | K249 A250 | H247-K249 WeakPolarHBondContact ND1-CB 3.38Å; H247-K249 PolarHBondContact ND1-N 3.43Å; H247-K249 VanDerWaalsContact ND1-N 3.13Å; H247-K249 PolarHBondContact O-N 2.86Å; H247-K249 VanDerWaalsContact O-N 3.14Å; H247-A250 VanDerWaalsContact O-CB 3.27Å; H247-A250 WeakPolarHBondContact O-CB 3.36Å; H247-A250 PolarHBondContact O-N 3.42Å | ||
| 248 | I | 92.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -54.7 | -36.5 | -179.6 | -171 | 172.6 | 0 | 0 | 0 | 112.7 | A250 L251 R256 W283 L287 L294 R297 | I248-A250 PolarHBondContact O-N 2.91Å; I248-L251 WeakPolarHBondContact O-CB 3.17Å; I248-L251 PolarHBondContact O-N 3.18Å; I248-L251 VanDerWaalsContact O-N 3.11Å; I248-R256 HydrophobicContact CG1-CG 4.22Å; I248-R256 PolarHBondContact O-NE 2.87Å; I248-R256 PolarHBondContact O-NH2 3.25Å; I248-R256 VanDerWaalsContact O-NH2 3.15Å; I248-W283 HydrophobicContact CB-CD2 4.45Å; I248-W283 HydrophobicContact CB-CG 4.29Å; I248-W283 HydrophobicContact CD1-CB 4.26Å; I248-W283 HydrophobicContact CD1-CD2 3.82Å; I248-W283 HydrophobicContact CD1-CE3 3.78Å; I248-W283 HydrophobicContact CD1-CG 4.05Å; I248-W283 HydrophobicContact CD1-CZ3 4.41Å; I248-W283 HydrophobicContact CG1-CD2 4.12Å; I248-W283 HydrophobicContact CG1-CE3 4.38Å; I248-W283 HydrophobicContact CG1-CG 4.4Å; I248-L287 HydrophobicContact CD1-CD1 4.31Å; I248-L287 HydrophobicContact CG2-CD2 4.24Å; I248-L294 HydrophobicContact CD1-CD1 3.67Å; I248-R297 HydrophobicContact CD1-CB 4.41Å |
| 249 | K | 90.1 | Very high | 95.1 | Very high | 137 Ų | 137 | 42 Ų | 42 | 60% | 0.596 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -63.3 | -23.1 | 174.6 | -65.4 | 179.6 | 178.9 | -179.6 | 0 | 114.4 | H247 L251 | H247-K249 WeakPolarHBondContact ND1-CB 3.38Å; H247-K249 PolarHBondContact ND1-N 3.43Å; H247-K249 VanDerWaalsContact ND1-N 3.13Å; H247-K249 PolarHBondContact O-N 2.86Å; H247-K249 VanDerWaalsContact O-N 3.14Å; K249-L251 PolarHBondContact O-N 2.98Å |
| 250 | A | 91.5 | Very high | 95 | Very high | 62 Ų | 62 | 42 Ų | 42 | 51% | 0.512 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -77.6 | -11.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V246 H247 I248 | V246-A250 HydrophobicContact CG1-CB 4.13Å; H247-A250 VanDerWaalsContact O-CB 3.27Å; H247-A250 WeakPolarHBondContact O-CB 3.36Å; H247-A250 PolarHBondContact O-N 3.42Å; I248-A250 PolarHBondContact O-N 2.91Å |
| 251 | L | 95.1 | Very high | 94.9 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -98.5 | 140.9 | 177.1 | -58.9 | 169.8 | 0 | 0 | 0 | 109.9 | L220 L224 V246 I248 K249 Q255 R256 L259 W283 | L220-L251 HydrophobicContact CD1-CD2 4.16Å; L220-L251 HydrophobicContact CD2-CD2 4.22Å; L224-L251 HydrophobicContact CD1-CD2 4.27Å; L224-L251 HydrophobicContact CD2-CD2 4.11Å; V246-L251 HydrophobicContact CG1-CD1 4.46Å; V246-L251 HydrophobicContact CG1-CD2 4.08Å; V246-L251 HydrophobicContact CG1-CG 4.05Å; I248-L251 WeakPolarHBondContact O-CB 3.17Å; I248-L251 PolarHBondContact O-N 3.18Å; I248-L251 VanDerWaalsContact O-N 3.11Å; K249-L251 PolarHBondContact O-N 2.98Å; L251-Q255 HydrophobicContact CB-CB 4.25Å; L251-Q255 HydrophobicContact CD2-CB 4.42Å; L251-R256 HydrophobicContact CB-CG 3.8Å; L251-R256 HydrophobicContact CD1-CG 4.33Å; L251-R256 VanDerWaalsContact O-CZ 3.29Å; L251-R256 PolarHBondContact O-NE 3.43Å; L251-R256 VanDerWaalsContact O-NE 3.15Å; L251-R256 PolarHBondContact O-NH2 2.75Å; L251-L259 HydrophobicContact CD1-CD1 3.85Å; L251-W283 HydrophobicContact CD1-CH2 4.4Å; L251-W283 HydrophobicContact CD1-CZ2 3.63Å |
| 252 | T | 95.7 | Very high | 94.9 | Very high | 77 Ų | 77 | 45.7 Ų | 45.7 | 47% | 0.472 | 25% | 0.245 | S | C | . | . | trans | -70.2 | 161.4 | 168.2 | 70.4 | 0 | 0 | 0 | 0 | 110.6 | A254 Q255 R256 | T252-A254 VanDerWaalsContact C-N 3.34Å; T252-A254 PolarHBondContact O-N 3.49Å; T252-Q255 WeakPolarHBondContact O-CB 3.21Å; T252-Q255 PolarHBondContact O-N 2.97Å; T252-Q255 VanDerWaalsContact O-N 3.09Å; T252-Q255 VanDerWaalsContact OG1-CG 3.26Å; T252-Q255 WeakPolarHBondContact OG1-CG 3.41Å; T252-Q255 PolarHBondContact OG1-N 3.31Å; T252-R256 WeakPolarHBondContact O-CG 3.2Å; T252-R256 PolarHBondContact O-N 3.48Å | ||
| 253 | I | 93.2 | Very high | 94.9 | Very high | 76 Ų | 76 | 45.7 Ų | 45.7 | 39% | 0.39 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -56 | -49.8 | 177.8 | -62.7 | 174.1 | 0 | 0 | 0 | 110.5 | Q255 R256 V257 D299 | I253-Q255 PolarHBondContact O-N 2.99Å; I253-R256 WeakPolarHBondContact O-CB 3.31Å; I253-R256 PolarHBondContact O-N 3Å; I253-V257 HydrophobicContact CG2-CG2 4.37Å; I253-V257 WeakPolarHBondContact O-CG2 3.41Å; I253-V257 PolarHBondContact O-N 3.29Å; I253-D299 HydrophobicContact CD1-CB 4.49Å; I253-D299 HydrophobicContact CG2-CB 3.54Å |
| 254 | A | 94.4 | Very high | 94.9 | Very high | 78 Ų | 78 | 46.6 Ų | 46.6 | 65% | 0.645 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -57.4 | -34.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T252 G258 | T252-A254 VanDerWaalsContact C-N 3.34Å; T252-A254 PolarHBondContact O-N 3.49Å; A254-G258 PolarHBondContact O-N 2.87Å |
| 255 | Q | 96.1 | Very high | 94.9 | Very high | 59 Ų | 59 | 46.9 Ų | 46.9 | 28% | 0.276 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70.7 | -40.6 | 174.8 | -72.7 | 169 | -12.6 | 0 | 0 | 111.9 | L224 L251 T252 I253 G258 L259 | L224-Q255 HydrophobicContact CD1-CG 4.03Å; L251-Q255 HydrophobicContact CB-CB 4.25Å; L251-Q255 HydrophobicContact CD2-CB 4.42Å; T252-Q255 WeakPolarHBondContact O-CB 3.21Å; T252-Q255 PolarHBondContact O-N 2.97Å; T252-Q255 VanDerWaalsContact O-N 3.09Å; T252-Q255 VanDerWaalsContact OG1-CG 3.26Å; T252-Q255 WeakPolarHBondContact OG1-CG 3.41Å; T252-Q255 PolarHBondContact OG1-N 3.31Å; I253-Q255 PolarHBondContact O-N 2.99Å; Q255-G258 PolarHBondContact O-N 2.7Å; Q255-L259 WeakPolarHBondContact O-CB 3.25Å; Q255-L259 VanDerWaalsContact O-CG 3.22Å; Q255-L259 WeakPolarHBondContact O-CG 3.47Å; Q255-L259 PolarHBondContact O-N 3.03Å |
| 256 | R | 97.2 | Very high | 95 | Very high | 21 Ų | 21 | 43 Ų | 43 | 8% | 0.079 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.7 | -51.8 | 177.3 | -64 | 169.3 | -164.8 | 157.1 | 7.5 | 110.8 | I248 L251 T252 I253 G258 L259 L260 W283 R297 L298 | I248-R256 HydrophobicContact CG1-CG 4.22Å; I248-R256 PolarHBondContact O-NE 2.87Å; I248-R256 PolarHBondContact O-NH2 3.25Å; I248-R256 VanDerWaalsContact O-NH2 3.15Å; L251-R256 HydrophobicContact CB-CG 3.8Å; L251-R256 HydrophobicContact CD1-CG 4.33Å; L251-R256 VanDerWaalsContact O-CZ 3.29Å; L251-R256 PolarHBondContact O-NE 3.43Å; L251-R256 VanDerWaalsContact O-NE 3.15Å; L251-R256 PolarHBondContact O-NH2 2.75Å; T252-R256 WeakPolarHBondContact O-CG 3.2Å; T252-R256 PolarHBondContact O-N 3.48Å; I253-R256 WeakPolarHBondContact O-CB 3.31Å; I253-R256 PolarHBondContact O-N 3Å; R256-G258 PolarHBondContact O-N 3.38Å; R256-L259 PolarHBondContact O-N 3.03Å; R256-L260 WeakPolarHBondContact O-CG 3.48Å; R256-L260 PolarHBondContact O-N 3.12Å; R256-L260 VanDerWaalsContact O-N 3.13Å; R256-W283 HydrophobicContact CB-CH2 4.07Å; R256-W283 HydrophobicContact CB-CZ3 4.31Å; R256-W283 HydrophobicContact CG-CH2 4.26Å; R256-R297 VanDerWaalsContact CD-O 3.25Å; R256-R297 WeakPolarHBondContact CD-O 3.21Å; R256-R297 VanDerWaalsContact NH1-CD 3.32Å; R256-R297 PolarHBondContact NH1-O 2.95Å; R256-L298 HydrophobicContact CB-CD2 3.82Å |
| 257 | V | 95.9 | Very high | 95 | Very high | 12 Ų | 12 | 49 Ų | 49 | 7% | 0.073 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.5 | -48.1 | 176.7 | 175.8 | 0 | 0 | 0 | 0 | 110.2 | I253 L259 L260 Q261 L298 C303 T306 | I253-V257 HydrophobicContact CG2-CG2 4.37Å; I253-V257 WeakPolarHBondContact O-CG2 3.41Å; I253-V257 PolarHBondContact O-N 3.29Å; V257-L259 VanDerWaalsContact C-N 3.32Å; V257-L259 PolarHBondContact O-N 3.14Å; V257-L260 PolarHBondContact O-N 2.85Å; V257-L260 VanDerWaalsContact O-N 3.14Å; V257-Q261 WeakPolarHBondContact O-CB 3.34Å; V257-Q261 PolarHBondContact O-N 2.92Å; V257-L298 HydrophobicContact CG2-CD2 4.47Å; V257-L298 WeakPolarHBondContact CG2-O 3.37Å; V257-C303 HydrophobicContact CG1-CB 3.96Å; V257-C303 HydrophobicContact CG2-CB 4Å; V257-T306 HydrophobicContact CG1-CG2 4.06Å |
| 258 | G | 96.1 | Very high | 95.3 | Very high | 13 Ų | 13 | 46.3 Ų | 46.3 | 13% | 0.134 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59 | -39.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A254 Q255 R256 Q262 | A254-G258 PolarHBondContact O-N 2.87Å; Q255-G258 PolarHBondContact O-N 2.7Å; R256-G258 PolarHBondContact O-N 3.38Å; G258-Q262 VanDerWaalsContact O-CB 3.28Å; G258-Q262 WeakPolarHBondContact O-CB 3.44Å; G258-Q262 WeakPolarHBondContact O-CG 3.45Å; G258-Q262 PolarHBondContact O-N 3.48Å; G258-Q262 PolarHBondContact O-NE2 3.28Å |
| 259 | L | 97.6 | Very high | 95.5 | Very high | 5 Ų | 5 | 53.3 Ų | 53.3 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 175.6 | -76.7 | 171.6 | 0 | 0 | 0 | 112.1 | L224 T227 Y239 L242 L251 Q255 R256 V257 G263 W283 | L224-L259 HydrophobicContact CD2-CD1 3.83Å; L224-L259 HydrophobicContact CD2-CD2 3.86Å; L224-L259 HydrophobicContact CD2-CG 4.09Å; T227-L259 HydrophobicContact CG2-CD2 3.61Å; Y239-L259 HydrophobicContact CD1-CD2 4.42Å; Y239-L259 HydrophobicContact CE1-CB 4.33Å; Y239-L259 HydrophobicContact CE1-CD2 3.81Å; Y239-L259 PolarHBondContact OH-O 3.1Å; L242-L259 HydrophobicContact CD1-CD1 4.19Å; L242-L259 HydrophobicContact CD1-CD2 3.64Å; L251-L259 HydrophobicContact CD1-CD1 3.85Å; Q255-L259 WeakPolarHBondContact O-CB 3.25Å; Q255-L259 VanDerWaalsContact O-CG 3.22Å; Q255-L259 WeakPolarHBondContact O-CG 3.47Å; Q255-L259 PolarHBondContact O-N 3.03Å; R256-L259 PolarHBondContact O-N 3.03Å; V257-L259 VanDerWaalsContact C-N 3.32Å; V257-L259 PolarHBondContact O-N 3.14Å; L259-G263 WeakPolarHBondContact O-CA 3.42Å; L259-G263 PolarHBondContact O-N 3.45Å; L259-W283 HydrophobicContact CB-CH2 4.5Å; L259-W283 HydrophobicContact CD1-CH2 4.3Å; L259-W283 HydrophobicContact CD1-CZ2 4.1Å |
| 260 | L | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.2 | -50 | 179.4 | -67.3 | 171.4 | 0 | 0 | 0 | 111.1 | R256 V257 Q262 G263 L264 V275 L280 W283 L298 T306 T310 | R256-L260 WeakPolarHBondContact O-CG 3.48Å; R256-L260 PolarHBondContact O-N 3.12Å; R256-L260 VanDerWaalsContact O-N 3.13Å; V257-L260 PolarHBondContact O-N 2.85Å; V257-L260 VanDerWaalsContact O-N 3.14Å; L260-Q262 VanDerWaalsContact C-N 3.34Å; L260-Q262 PolarHBondContact O-N 2.96Å; L260-G263 PolarHBondContact O-N 3.38Å; L260-L264 HydrophobicContact CB-CD1 4.47Å; L260-L264 VanDerWaalsContact O-CB 3.31Å; L260-L264 WeakPolarHBondContact O-CB 3.48Å; L260-L264 WeakPolarHBondContact O-CG 3.44Å; L260-L264 PolarHBondContact O-N 3.06Å; L260-V275 HydrophobicContact CD2-CG1 4.43Å; L260-L280 HydrophobicContact CD2-CD2 3.55Å; L260-L280 HydrophobicContact CD2-CG 4.33Å; L260-W283 HydrophobicContact CD1-CZ3 3.91Å; L260-W283 HydrophobicContact CD2-CZ3 4.01Å; L260-W283 HydrophobicContact CG-CH2 4.38Å; L260-W283 HydrophobicContact CG-CZ3 3.94Å; L260-L298 HydrophobicContact CD1-CD1 3.74Å; L260-L298 HydrophobicContact CD1-CD2 3.54Å; L260-L298 HydrophobicContact CD1-CG 4.31Å; L260-T306 HydrophobicContact CB-CG2 3.75Å; L260-T310 HydrophobicContact CD1-CG2 4.23Å; L260-T310 WeakPolarHBondContact CD1-OG1 3.24Å; L260-T310 HydrophobicContact CD2-CG2 4.46Å |
| 261 | Q | 95.4 | Very high | 96.1 | Very high | 101 Ų | 101 | 45.4 Ų | 45.4 | 47% | 0.472 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.1 | -46.1 | 179.7 | -169.1 | -175.7 | 23 | 0 | 0 | 111.4 | V257 H265 T306 | V257-Q261 WeakPolarHBondContact O-CB 3.34Å; V257-Q261 PolarHBondContact O-N 2.92Å; Q261-H265 VanDerWaalsContact O-CB 3.32Å; Q261-H265 WeakPolarHBondContact O-CB 3.31Å; Q261-H265 PolarHBondContact O-N 3.44Å; Q261-H265 PolarHBondContact O-ND1 3.18Å; Q261-T306 HydrophobicContact CB-CG2 4.15Å |
| 262 | Q | 95.6 | Very high | 96.2 | Very high | 41 Ų | 41 | 49.4 Ų | 49.4 | 19% | 0.192 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.1 | -41.1 | 177.7 | -72.6 | 159.9 | 50.7 | 0 | 0 | 112.7 | T227 R228 G258 L260 D266 | T227-Q262 PolarHBondContact OG1-OE1 2.94Å; T227-Q262 VanDerWaalsContact OG1-OE1 3.11Å; R228-Q262 VanDerWaalsContact CG-OE1 3.26Å; R228-Q262 VanDerWaalsContact CZ-CD 3.47Å; R228-Q262 VanDerWaalsContact NE-CD 3.26Å; G258-Q262 VanDerWaalsContact O-CB 3.28Å; G258-Q262 WeakPolarHBondContact O-CB 3.44Å; G258-Q262 WeakPolarHBondContact O-CG 3.45Å; G258-Q262 PolarHBondContact O-N 3.48Å; G258-Q262 PolarHBondContact O-NE2 3.28Å; L260-Q262 VanDerWaalsContact C-N 3.34Å; L260-Q262 PolarHBondContact O-N 2.96Å; Q262-D266 WeakPolarHBondContact O-CA 3.31Å; Q262-D266 PolarHBondContact O-N 3Å; Q262-D266 VanDerWaalsContact O-N 3.09Å |
| 263 | G | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -75.5 | -41.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113 | Y239 L259 L260 D266 R272 | Y239-G263 WeakPolarHBondContact OH-CA 3.48Å; Y239-G263 PolarHBondContact OH-N 3.1Å; Y239-G263 VanDerWaalsContact OH-N 3.1Å; L259-G263 WeakPolarHBondContact O-CA 3.42Å; L259-G263 PolarHBondContact O-N 3.45Å; L260-G263 PolarHBondContact O-N 3.38Å; G263-D266 WeakPolarHBondContact O-CB 3.46Å; G263-D266 PolarHBondContact O-N 3.48Å; G263-R272 WeakPolarHBondContact O-CA 3.31Å; G263-R272 WeakPolarHBondContact O-CG 3.3Å |
| 264 | L | 96.5 | Very high | 96.5 | Very high | 25 Ų | 25 | 46.7 Ų | 46.7 | 13% | 0.131 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -74.1 | -28.3 | 178.3 | -64.3 | 174.5 | 0 | 0 | 0 | 112.2 | L260 R272 V275 E309 A313 | L260-L264 HydrophobicContact CB-CD1 4.47Å; L260-L264 VanDerWaalsContact O-CB 3.31Å; L260-L264 WeakPolarHBondContact O-CB 3.48Å; L260-L264 WeakPolarHBondContact O-CG 3.44Å; L260-L264 PolarHBondContact O-N 3.06Å; L264-R272 WeakPolarHBondContact O-CD 3.36Å; L264-V275 HydrophobicContact CD2-CG1 3.83Å; L264-V275 HydrophobicContact CG-CG1 4.2Å; L264-E309 HydrophobicContact CD1-CB 4.11Å; L264-A313 HydrophobicContact CD2-CB 3.95Å |
| 265 | H | 95.8 | Very high | 96.6 | Very high | 111 Ų | 111 | 43 Ų | 43 | 51% | 0.514 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 14.1 | 175 | -64.4 | 107.3 | 0 | 0 | 0 | 114.5 | Q261 T267 E309 | Q261-H265 VanDerWaalsContact O-CB 3.32Å; Q261-H265 WeakPolarHBondContact O-CB 3.31Å; Q261-H265 PolarHBondContact O-N 3.44Å; Q261-H265 PolarHBondContact O-ND1 3.18Å; H265-T267 PolarHBondContact O-N 2.86Å; H265-E309 IonicContact CE1-OE1 2.83Å; H265-E309 PolarHBondContact CE1-OE1 3.26Å; H265-E309 IonicContact CE1-OE2 3.83Å; H265-E309 PolarHBondContact CE1-OE2 3.22Å; H265-E309 IonicContact ND1-OE2 2.7Å; H265-E309 IonicContact NE2-OE1 3.53Å; H265-E309 PolarHBondContact NE2-OE1 2.75Å; H265-E309 VanDerWaalsContact NE2-OE1 3.11Å; H265-E309 IonicContact NE2-OE2 2.68Å |
| 266 | D | 97.4 | Very high | 96.6 | Very high | 7 Ų | 7 | 41.6 Ų | 41.6 | 4% | 0.037 | 22% | 0.215 | C | C | . | . | trans | -60.3 | 139.9 | 179.8 | -159.2 | -64.6 | 0 | 0 | 0 | 110.4 | R235 Q262 G263 S268 V271 R272 | R235-D266 IonicContact CZ-OD1 3.76Å; R235-D266 IonicContact CZ-OD2 3.41Å; R235-D266 IonicContact NE-OD2 2.73Å; R235-D266 IonicContact NH1-OD1 3.88Å; R235-D266 PolarHBondContact NH1-OD1 2.98Å; R235-D266 IonicContact NH1-OD2 3.11Å; R235-D266 PolarHBondContact NH1-OD2 2.7Å; R235-D266 IonicContact NH2-OD1 2.8Å; R235-D266 PolarHBondContact NH2-OD1 3.42Å; R235-D266 IonicContact NH2-OD2 3.3Å; Q262-D266 WeakPolarHBondContact O-CA 3.31Å; Q262-D266 PolarHBondContact O-N 3Å; Q262-D266 VanDerWaalsContact O-N 3.09Å; G263-D266 WeakPolarHBondContact O-CB 3.46Å; G263-D266 PolarHBondContact O-N 3.48Å; D266-S268 PolarHBondContact O-N 3.41Å; D266-S268 PolarHBondContact OD1-N 2.95Å; D266-V271 HydrophobicContact CB-CB 3.87Å; D266-V271 HydrophobicContact CB-CG1 3.86Å; D266-V271 VanDerWaalsContact CG-CB 3.48Å; D266-V271 WeakPolarHBondContact OD2-CG1 3.38Å; D266-R272 HydrophobicContact CB-CG 3.98Å; D266-R272 WeakPolarHBondContact O-CD 3.36Å; D266-R272 WeakPolarHBondContact O-CG 3.27Å; D266-R272 PolarHBondContact O-NH1 3.42Å | ||
| 267 | T | 93.6 | Very high | 96.5 | Very high | 129 Ų | 129 | 42.5 Ų | 42.5 | 79% | 0.791 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -62.1 | -30.1 | 177 | 54.4 | 0 | 0 | 0 | 0 | 112.4 | H265 R272 | H265-T267 PolarHBondContact O-N 2.86Å; T267-R272 PolarHBondContact O-NH1 3.46Å |
| 268 | S | 96.5 | Very high | 96.5 | Very high | 15 Ų | 15 | 48.3 Ų | 48.3 | 11% | 0.105 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -90.6 | 125.3 | 178.7 | -178.6 | 0 | 0 | 0 | 0 | 111.5 | E232 D266 S270 V271 R272 | E232-S268 WeakPolarHBondContact OE2-CB 3.38Å; E232-S268 PolarHBondContact OE2-OG 3.34Å; D266-S268 PolarHBondContact O-N 3.41Å; D266-S268 PolarHBondContact OD1-N 2.95Å; S268-S270 PolarHBondContact O-N 3.36Å; S268-S270 PolarHBondContact OG-N 3.26Å; S268-S270 PolarHBondContact OG-OG 3.42Å; S268-V271 PolarHBondContact O-N 2.74Å; S268-V271 VanDerWaalsContact O-N 3.09Å; S268-R272 PolarHBondContact O-N 2.95Å |
| 269 | E | 96.6 | Very high | 96.6 | Very high | 147 Ų | 147 | 47.7 Ų | 47.7 | 69% | 0.687 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -58.5 | -35.3 | 175.3 | -171.2 | 177 | -172.4 | 0 | 0 | 112.3 | V271 R272 D273 | E269-V271 PolarHBondContact O-N 2.97Å; E269-R272 PolarHBondContact O-N 3.29Å; E269-D273 WeakPolarHBondContact O-CB 3.45Å; E269-D273 PolarHBondContact O-N 2.98Å |
| 270 | S | 96.7 | Very high | 96.5 | Very high | 33 Ų | 33 | 47.7 Ų | 47.7 | 23% | 0.231 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.9 | -24.2 | 179.3 | 74.5 | 0 | 0 | 0 | 0 | 113.8 | S268 I274 | S268-S270 PolarHBondContact O-N 3.36Å; S268-S270 PolarHBondContact OG-N 3.26Å; S268-S270 PolarHBondContact OG-OG 3.42Å; S270-I274 PolarHBondContact O-N 3.41Å |
| 271 | V | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -86.4 | -40.5 | 175.8 | -177.6 | 0 | 0 | 0 | 0 | 110.5 | E232 R235 K236 Y239 D266 S268 E269 D273 I274 V275 | E232-V271 HydrophobicContact CB-CG2 4.49Å; R235-V271 HydrophobicContact CB-CG1 4.46Å; R235-V271 HydrophobicContact CB-CG2 4.16Å; K236-V271 HydrophobicContact CB-CG2 4.22Å; Y239-V271 HydrophobicContact CD2-CG1 3.64Å; Y239-V271 HydrophobicContact CE2-CG1 3.5Å; Y239-V271 VanDerWaalsContact CE2-CG1 3.5Å; D266-V271 HydrophobicContact CB-CB 3.87Å; D266-V271 HydrophobicContact CB-CG1 3.86Å; D266-V271 VanDerWaalsContact CG-CB 3.48Å; D266-V271 WeakPolarHBondContact OD2-CG1 3.38Å; S268-V271 PolarHBondContact O-N 2.74Å; S268-V271 VanDerWaalsContact O-N 3.09Å; E269-V271 PolarHBondContact O-N 2.97Å; V271-D273 VanDerWaalsContact C-N 3.27Å; V271-D273 PolarHBondContact O-N 2.96Å; V271-I274 WeakPolarHBondContact O-CG2 3.48Å; V271-I274 PolarHBondContact O-N 3.32Å; V271-V275 WeakPolarHBondContact O-CG2 3.48Å; V271-V275 PolarHBondContact O-N 2.84Å |
| 272 | R | 97.7 | Very high | 96.4 | Very high | 87 Ų | 87 | 46.6 Ų | 46.6 | 33% | 0.328 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.5 | -43.1 | 171.7 | -60.4 | -168.6 | -61.1 | -91.1 | 3.3 | 111.3 | G263 L264 D266 T267 S268 E269 I274 V275 C276 | G263-R272 WeakPolarHBondContact O-CA 3.31Å; G263-R272 WeakPolarHBondContact O-CG 3.3Å; L264-R272 WeakPolarHBondContact O-CD 3.36Å; D266-R272 HydrophobicContact CB-CG 3.98Å; D266-R272 WeakPolarHBondContact O-CD 3.36Å; D266-R272 WeakPolarHBondContact O-CG 3.27Å; D266-R272 PolarHBondContact O-NH1 3.42Å; T267-R272 PolarHBondContact O-NH1 3.46Å; S268-R272 PolarHBondContact O-N 2.95Å; E269-R272 PolarHBondContact O-N 3.29Å; R272-I274 PolarHBondContact O-N 3.49Å; R272-V275 PolarHBondContact O-N 3.31Å; R272-C276 PolarHBondContact O-N 3.25Å; R272-C276 PolarHBondContact O-SG 3.4Å; R272-C276 VanDerWaalsContact O-SG 3.4Å |
| 273 | D | 96.6 | Very high | 96.5 | Very high | 86 Ų | 86 | 44.7 Ų | 44.7 | 46% | 0.46 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61 | -41.3 | 178.2 | 178.4 | 57.7 | 0 | 0 | 0 | 112.9 | E269 V271 V275 C276 S277 | E269-D273 WeakPolarHBondContact O-CB 3.45Å; E269-D273 PolarHBondContact O-N 2.98Å; V271-D273 VanDerWaalsContact C-N 3.27Å; V271-D273 PolarHBondContact O-N 2.96Å; D273-V275 VanDerWaalsContact C-N 3.28Å; D273-V275 PolarHBondContact O-N 2.91Å; D273-C276 PolarHBondContact O-N 2.96Å; D273-S277 VanDerWaalsContact O-CB 3.24Å; D273-S277 WeakPolarHBondContact O-CB 3.3Å; D273-S277 PolarHBondContact O-N 3Å; D273-S277 PolarHBondContact O-OG 3.27Å |
| 274 | I | 97.5 | Very high | 96.3 | Very high | 10 Ų | 10 | 45.8 Ų | 45.8 | 5% | 0.051 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.9 | -30.4 | 179.8 | -159.2 | 73.2 | 0 | 0 | 0 | 112.1 | K236 Y239 Q240 S270 V271 R272 R278 L279 | K236-I274 HydrophobicContact CG-CB 4.16Å; K236-I274 HydrophobicContact CG-CG1 4.35Å; K236-I274 HydrophobicContact CG-CG2 4.1Å; Y239-I274 HydrophobicContact CD2-CG2 4.21Å; Y239-I274 HydrophobicContact CG-CG2 4.18Å; Q240-I274 HydrophobicContact CB-CG1 4.32Å; S270-I274 PolarHBondContact O-N 3.41Å; V271-I274 WeakPolarHBondContact O-CG2 3.48Å; V271-I274 PolarHBondContact O-N 3.32Å; R272-I274 PolarHBondContact O-N 3.49Å; I274-R278 HydrophobicContact CD1-CB 4.15Å; I274-R278 HydrophobicContact CD1-CG 3.45Å; I274-R278 VanDerWaalsContact CD1-CG 3.45Å; I274-R278 HydrophobicContact CG1-CB 4.22Å; I274-R278 HydrophobicContact CG1-CG 4.07Å; I274-R278 WeakPolarHBondContact O-CA 3.49Å; I274-R278 VanDerWaalsContact O-CB 3.31Å; I274-R278 WeakPolarHBondContact O-CB 3.35Å; I274-R278 PolarHBondContact O-N 3.39Å; I274-L279 PolarHBondContact O-N 3.26Å |
| 275 | V | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -67.1 | -46.7 | 175.4 | 175.9 | 0 | 0 | 0 | 0 | 110 | Y239 L260 L264 V271 R272 D273 L279 L280 | Y239-V275 HydrophobicContact CD1-CG2 3.77Å; Y239-V275 HydrophobicContact CD2-CG2 4.19Å; Y239-V275 HydrophobicContact CE1-CG2 3.88Å; Y239-V275 HydrophobicContact CE2-CG2 4.3Å; Y239-V275 HydrophobicContact CG-CG2 3.94Å; L260-V275 HydrophobicContact CD2-CG1 4.43Å; L264-V275 HydrophobicContact CD2-CG1 3.83Å; L264-V275 HydrophobicContact CG-CG1 4.2Å; V271-V275 WeakPolarHBondContact O-CG2 3.48Å; V271-V275 PolarHBondContact O-N 2.84Å; R272-V275 PolarHBondContact O-N 3.31Å; D273-V275 VanDerWaalsContact C-N 3.28Å; D273-V275 PolarHBondContact O-N 2.91Å; V275-L279 HydrophobicContact CG1-CD2 4.24Å; V275-L279 PolarHBondContact O-N 2.87Å; V275-L280 HydrophobicContact CG1-CG 4.43Å; V275-L280 PolarHBondContact O-N 3.2Å |
| 276 | C | 96.3 | Very high | 96 | Very high | 31 Ų | 31 | 49.7 Ų | 49.7 | 21% | 0.209 | 26% | 0.257 | C | S | . | . | I | π-helix | trans | -69.9 | -40 | 178.7 | -61.5 | 0 | 0 | 0 | 0 | 113.5 | R272 D273 P281 | R272-C276 PolarHBondContact O-N 3.25Å; R272-C276 PolarHBondContact O-SG 3.4Å; R272-C276 VanDerWaalsContact O-SG 3.4Å; D273-C276 PolarHBondContact O-N 2.96Å; C276-P281 WeakPolarHBondContact O-CD 3.5Å; C276-P281 WeakPolarHBondContact O-CG 3.49Å |
| 277 | S | 95.4 | Very high | 95.8 | Very high | 40 Ų | 40 | 50 Ų | 50 | 28% | 0.28 | 26% | 0.259 | S | S | . | . | I | π-helix | trans | -94.1 | -12.7 | -171.6 | 66.7 | 0 | 0 | 0 | 0 | 114.8 | D273 | D273-S277 VanDerWaalsContact O-CB 3.24Å; D273-S277 WeakPolarHBondContact O-CB 3.3Å; D273-S277 PolarHBondContact O-N 3Å; D273-S277 PolarHBondContact O-OG 3.27Å |
| 278 | R | 95.9 | Very high | 95.6 | Very high | 134 Ų | 134 | 51.3 Ų | 51.3 | 51% | 0.506 | 26% | 0.261 | S | S | . | . | I | π-helix | trans | -131.3 | -57.9 | 179.4 | -61.4 | -68.5 | -173.5 | -111.2 | 4.3 | 113.3 | I274 A282 | I274-R278 HydrophobicContact CD1-CB 4.15Å; I274-R278 HydrophobicContact CD1-CG 3.45Å; I274-R278 VanDerWaalsContact CD1-CG 3.45Å; I274-R278 HydrophobicContact CG1-CB 4.22Å; I274-R278 HydrophobicContact CG1-CG 4.07Å; I274-R278 WeakPolarHBondContact O-CA 3.49Å; I274-R278 VanDerWaalsContact O-CB 3.31Å; I274-R278 WeakPolarHBondContact O-CB 3.35Å; I274-R278 PolarHBondContact O-N 3.39Å; R278-A282 WeakPolarHBondContact O-CB 3.46Å; R278-A282 PolarHBondContact O-N 3.35Å |
| 279 | L | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.271 | C | S | . | . | I | π-helix | trans | -63 | -54.7 | -172.1 | -173.3 | 72.3 | 0 | 0 | 0 | 112.4 | Y239 L242 I274 V275 A282 W283 | Y239-L279 HydrophobicContact CD1-CD2 4.04Å; Y239-L279 HydrophobicContact CE1-CD2 4.41Å; L242-L279 HydrophobicContact CB-CD1 4.42Å; I274-L279 PolarHBondContact O-N 3.26Å; V275-L279 HydrophobicContact CG1-CD2 4.24Å; V275-L279 PolarHBondContact O-N 2.87Å; L279-A282 PolarHBondContact O-N 3.16Å; L279-W283 HydrophobicContact CD1-CZ2 3.91Å; L279-W283 HydrophobicContact CD2-CH2 4.21Å; L279-W283 HydrophobicContact CD2-CZ2 4.06Å; L279-W283 HydrophobicContact CG-CD2 4.35Å; L279-W283 HydrophobicContact CG-CZ2 4.1Å; L279-W283 PolarHBondContact O-N 3.3Å |
| 280 | L | 96.2 | Very high | 95 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62 | -48.5 | -179.1 | -71.1 | 176.1 | 0 | 0 | 0 | 112.2 | L260 V275 A282 W283 L284 T310 A313 I314 | L260-L280 HydrophobicContact CD2-CD2 3.55Å; L260-L280 HydrophobicContact CD2-CG 4.33Å; V275-L280 HydrophobicContact CG1-CG 4.43Å; V275-L280 PolarHBondContact O-N 3.2Å; L280-A282 VanDerWaalsContact C-N 3.32Å; L280-A282 PolarHBondContact O-N 2.84Å; L280-W283 PolarHBondContact O-N 3.12Å; L280-L284 WeakPolarHBondContact O-CG 3.25Å; L280-L284 PolarHBondContact O-N 3.13Å; L280-T310 HydrophobicContact CD1-CG2 4.38Å; L280-T310 HydrophobicContact CD2-CG2 3.67Å; L280-A313 HydrophobicContact CD1-CB 3.9Å; L280-I314 HydrophobicContact CD1-CG1 4.24Å |
| 281 | P | 95.3 | Very high | 94.8 | Very high | 59 Ų | 59 | 47.2 Ų | 47.2 | 38% | 0.383 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -57.5 | -41.4 | 173.1 | -27.8 | 35.3 | 0 | 0 | 0 | 113.4 | C276 W283 L284 L285 | C276-P281 WeakPolarHBondContact O-CD 3.5Å; C276-P281 WeakPolarHBondContact O-CG 3.49Å; P281-W283 VanDerWaalsContact C-N 3.33Å; P281-W283 PolarHBondContact O-N 3.37Å; P281-L284 PolarHBondContact O-N 3.25Å; P281-L285 VanDerWaalsContact O-CB 3.28Å; P281-L285 WeakPolarHBondContact O-CB 3.49Å; P281-L285 PolarHBondContact O-N 3.4Å |
| 282 | A | 95.9 | Very high | 94.6 | Very high | 20 Ų | 20 | 48.9 Ų | 48.9 | 17% | 0.165 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.7 | -34.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | R278 L279 L280 R286 | R278-A282 WeakPolarHBondContact O-CB 3.46Å; R278-A282 PolarHBondContact O-N 3.35Å; L279-A282 PolarHBondContact O-N 3.16Å; L280-A282 VanDerWaalsContact C-N 3.32Å; L280-A282 PolarHBondContact O-N 2.84Å; A282-R286 VanDerWaalsContact O-CG 3.27Å; A282-R286 WeakPolarHBondContact O-CG 3.45Å; A282-R286 PolarHBondContact O-N 3.27Å |
| 283 | W | 96.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 0% | 0.004 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -71.2 | -47.1 | 173.8 | -74.7 | 5.6 | 0 | 0 | 0 | 111.6 | I248 L251 R256 L259 L260 L279 L280 P281 L285 R286 L287 L294 | I248-W283 HydrophobicContact CB-CD2 4.45Å; I248-W283 HydrophobicContact CB-CG 4.29Å; I248-W283 HydrophobicContact CD1-CB 4.26Å; I248-W283 HydrophobicContact CD1-CD2 3.82Å; I248-W283 HydrophobicContact CD1-CE3 3.78Å; I248-W283 HydrophobicContact CD1-CG 4.05Å; I248-W283 HydrophobicContact CD1-CZ3 4.41Å; I248-W283 HydrophobicContact CG1-CD2 4.12Å; I248-W283 HydrophobicContact CG1-CE3 4.38Å; I248-W283 HydrophobicContact CG1-CG 4.4Å; L251-W283 HydrophobicContact CD1-CH2 4.4Å; L251-W283 HydrophobicContact CD1-CZ2 3.63Å; R256-W283 HydrophobicContact CB-CH2 4.07Å; R256-W283 HydrophobicContact CB-CZ3 4.31Å; R256-W283 HydrophobicContact CG-CH2 4.26Å; L259-W283 HydrophobicContact CB-CH2 4.5Å; L259-W283 HydrophobicContact CD1-CH2 4.3Å; L259-W283 HydrophobicContact CD1-CZ2 4.1Å; L260-W283 HydrophobicContact CD1-CZ3 3.91Å; L260-W283 HydrophobicContact CD2-CZ3 4.01Å; L260-W283 HydrophobicContact CG-CH2 4.38Å; L260-W283 HydrophobicContact CG-CZ3 3.94Å; L279-W283 HydrophobicContact CD1-CZ2 3.91Å; L279-W283 HydrophobicContact CD2-CH2 4.21Å; L279-W283 HydrophobicContact CD2-CZ2 4.06Å; L279-W283 HydrophobicContact CG-CD2 4.35Å; L279-W283 HydrophobicContact CG-CZ2 4.1Å; L279-W283 PolarHBondContact O-N 3.3Å; L280-W283 PolarHBondContact O-N 3.12Å; P281-W283 VanDerWaalsContact C-N 3.33Å; P281-W283 PolarHBondContact O-N 3.37Å; W283-L285 VanDerWaalsContact C-N 3.33Å; W283-L285 PolarHBondContact O-N 3.14Å; W283-R286 PolarHBondContact O-N 3.44Å; W283-R286 VanDerWaalsContact O-N 3.16Å; W283-L287 WeakPolarHBondContact O-CG 3.36Å; W283-L287 PolarHBondContact O-N 2.85Å; W283-L294 HydrophobicContact CB-CD1 4.5Å; W283-L294 HydrophobicContact CE3-CD1 4.06Å |
| 284 | L | 93.2 | Very high | 94.3 | Very high | 22 Ų | 22 | 43.6 Ų | 43.6 | 12% | 0.115 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.9 | -41 | 177.6 | -74.4 | 172.3 | 0 | 0 | 0 | 112.2 | L280 P281 R286 L287 D288 G289 V291 L294 I314 | L280-L284 WeakPolarHBondContact O-CG 3.25Å; L280-L284 PolarHBondContact O-N 3.13Å; P281-L284 PolarHBondContact O-N 3.25Å; L284-R286 VanDerWaalsContact C-N 3.26Å; L284-R286 PolarHBondContact O-N 3.39Å; L284-L287 CarbonylContact O-C 3.58Å; L284-L287 VanDerWaalsContact O-C 3.27Å; L284-L287 WeakPolarHBondContact O-CA 3.28Å; L284-L287 PolarHBondContact O-N 3.14Å; L284-D288 PolarHBondContact O-N 2.98Å; L284-G289 PolarHBondContact O-N 3.19Å; L284-V291 HydrophobicContact CD2-CG2 4.01Å; L284-L294 HydrophobicContact CD2-CB 4.22Å; L284-L294 HydrophobicContact CD2-CD2 3.74Å; L284-L294 HydrophobicContact CG-CD2 4.18Å; L284-I314 HydrophobicContact CD1-CD1 4.12Å; L284-I314 HydrophobicContact CD1-CG1 4.2Å; L284-I314 HydrophobicContact CD1-CG2 4.29Å |
| 285 | L | 94.2 | Very high | 94.2 | Very high | 139 Ų | 139 | 43.2 Ų | 43.2 | 73% | 0.728 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -59.3 | -37.8 | 176.6 | -177.6 | 65.9 | 0 | 0 | 0 | 112.1 | P281 W283 L287 D288 | P281-L285 VanDerWaalsContact O-CB 3.28Å; P281-L285 WeakPolarHBondContact O-CB 3.49Å; P281-L285 PolarHBondContact O-N 3.4Å; W283-L285 VanDerWaalsContact C-N 3.33Å; W283-L285 PolarHBondContact O-N 3.14Å; L285-L287 PolarHBondContact O-N 3.43Å; L285-D288 PolarHBondContact O-N 3.09Å |
| 286 | R | 92.9 | Very high | 94.1 | Very high | 80 Ų | 80 | 48.5 Ų | 48.5 | 30% | 0.302 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -6 | 176.4 | -65.2 | 172.5 | -163 | -129.5 | 10.4 | 113.4 | S243 E244 V246 A282 W283 L284 | S243-R286 PolarHBondContact O-NH2 3.47Å; E244-R286 PolarHBondContact O-NH2 3.11Å; V246-R286 VanDerWaalsContact O-CZ 3.23Å; V246-R286 PolarHBondContact O-NH1 3.35Å; V246-R286 PolarHBondContact O-NH2 3.31Å; A282-R286 VanDerWaalsContact O-CG 3.27Å; A282-R286 WeakPolarHBondContact O-CG 3.45Å; A282-R286 PolarHBondContact O-N 3.27Å; W283-R286 PolarHBondContact O-N 3.44Å; W283-R286 VanDerWaalsContact O-N 3.16Å; L284-R286 VanDerWaalsContact C-N 3.26Å; L284-R286 PolarHBondContact O-N 3.39Å |
| 287 | L | 92.7 | Very high | 94 | Very high | 12 Ų | 12 | 49.1 Ų | 49.1 | 6% | 0.063 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | 23.4 | 177 | -56.4 | 176.9 | 0 | 0 | 0 | 110.9 | I248 W283 L284 L285 G289 N290 E293 L294 | I248-L287 HydrophobicContact CD1-CD1 4.31Å; I248-L287 HydrophobicContact CG2-CD2 4.24Å; W283-L287 WeakPolarHBondContact O-CG 3.36Å; W283-L287 PolarHBondContact O-N 2.85Å; L284-L287 CarbonylContact O-C 3.58Å; L284-L287 VanDerWaalsContact O-C 3.27Å; L284-L287 WeakPolarHBondContact O-CA 3.28Å; L284-L287 PolarHBondContact O-N 3.14Å; L285-L287 PolarHBondContact O-N 3.43Å; L287-G289 PolarHBondContact O-N 2.96Å; L287-G289 VanDerWaalsContact O-N 3.07Å; L287-N290 VanDerWaalsContact O-CB 3.29Å; L287-N290 WeakPolarHBondContact O-CB 3.48Å; L287-N290 PolarHBondContact O-N 3.15Å; L287-E293 HydrophobicContact CD2-CG 4.18Å; L287-L294 HydrophobicContact CD1-CB 3.81Å; L287-L294 HydrophobicContact CD1-CD1 4.01Å |
| 288 | D | 90.4 | Very high | 93.9 | Very high | 157 Ų | 157 | 47.3 Ų | 47.3 | 84% | 0.84 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 30.1 | 178.2 | -53.6 | -46.6 | 0 | 0 | 0 | 114 | L284 L285 N290 | L284-D288 PolarHBondContact O-N 2.98Å; L285-D288 PolarHBondContact O-N 3.09Å; D288-N290 VanDerWaalsContact C-N 3.26Å; D288-N290 PolarHBondContact O-N 3.42Å |
| 289 | G | 88.5 | Confident | 93.7 | Very high | 30 Ų | 30 | 43.6 Ų | 43.6 | 31% | 0.309 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 11.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L284 L287 V291 R327 | L284-G289 PolarHBondContact O-N 3.19Å; L287-G289 PolarHBondContact O-N 2.96Å; L287-G289 VanDerWaalsContact O-N 3.07Å; G289-V291 PolarHBondContact O-N 3.01Å; G289-R327 PolarHBondContact O-NH1 3.37Å |
| 290 | N | 90.9 | Very high | 93.5 | Very high | 77 Ų | 77 | 43.7 Ų | 43.7 | 41% | 0.412 | 23% | 0.231 | S | C | . | . | trans | -81.2 | 106.4 | 178.4 | -171.1 | -20.8 | 0 | 0 | 0 | 111.4 | L287 D288 I292 E293 L294 | L287-N290 VanDerWaalsContact O-CB 3.29Å; L287-N290 WeakPolarHBondContact O-CB 3.48Å; L287-N290 PolarHBondContact O-N 3.15Å; D288-N290 VanDerWaalsContact C-N 3.26Å; D288-N290 PolarHBondContact O-N 3.42Å; N290-I292 PolarHBondContact OD1-N 2.94Å; N290-E293 HydrophobicContact CB-CB 4.03Å; N290-E293 PolarHBondContact OD1-N 2.66Å; N290-L294 PolarHBondContact O-N 3.2Å | ||
| 291 | V | 93.4 | Very high | 93.3 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.012 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -72.3 | -33.6 | 179.8 | -177.6 | 0 | 0 | 0 | 0 | 111.8 | L284 G289 L294 L295 L311 I314 M318 Y348 | L284-V291 HydrophobicContact CD2-CG2 4.01Å; G289-V291 PolarHBondContact O-N 3.01Å; V291-L294 WeakPolarHBondContact O-CB 3.21Å; V291-L294 PolarHBondContact O-N 3.17Å; V291-L295 WeakPolarHBondContact O-CG 3.47Å; V291-L295 PolarHBondContact O-N 3.32Å; V291-L311 HydrophobicContact CG1-CD2 3.51Å; V291-I314 HydrophobicContact CG1-CD1 4.46Å; V291-M318 HydrophobicContact CG2-CE 4.31Å; V291-Y348 HydrophobicContact CB-CE2 4.26Å; V291-Y348 HydrophobicContact CG1-CD2 3.92Å; V291-Y348 HydrophobicContact CG1-CE2 3.9Å |
| 292 | I | 93.6 | Very high | 93.1 | Very high | 36 Ų | 36 | 48.4 Ų | 48.4 | 19% | 0.185 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.6 | -41.9 | 178.6 | -56.6 | -56.3 | 0 | 0 | 0 | 110.2 | N290 L294 L295 H296 E344 N345 Y348 | N290-I292 PolarHBondContact OD1-N 2.94Å; I292-L294 VanDerWaalsContact C-N 3.27Å; I292-L294 PolarHBondContact O-N 2.91Å; I292-L295 HydrophobicContact CD1-CD1 4.39Å; I292-L295 WeakPolarHBondContact O-CB 3.27Å; I292-L295 PolarHBondContact O-N 3.3Å; I292-L295 VanDerWaalsContact O-N 3.12Å; I292-H296 PolarHBondContact O-N 3.27Å; I292-E344 HydrophobicContact CG2-CB 3.93Å; I292-N345 HydrophobicContact CD1-CB 4.44Å; I292-Y348 HydrophobicContact CD1-CD1 4.42Å; I292-Y348 HydrophobicContact CD1-CD2 4.04Å; I292-Y348 HydrophobicContact CD1-CG 3.8Å |
| 293 | E | 93.5 | Very high | 92.9 | Very high | 61 Ų | 61 | 49.1 Ų | 49.1 | 29% | 0.285 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.4 | -31.9 | 173.6 | -179 | 59.8 | -159 | 0 | 0 | 112.2 | L287 N290 R297 | L287-E293 HydrophobicContact CD2-CG 4.18Å; N290-E293 HydrophobicContact CB-CB 4.03Å; N290-E293 PolarHBondContact OD1-N 2.66Å; E293-R297 WeakPolarHBondContact O-CG 3.5Å; E293-R297 PolarHBondContact O-N 3.34Å; E293-R297 IonicContact OE1-CZ 2.75Å; E293-R297 IonicContact OE1-NE 3.97Å; E293-R297 PolarHBondContact OE1-NE 3.31Å; E293-R297 IonicContact OE1-NH1 3.68Å; E293-R297 IonicContact OE1-NH2 3.92Å; E293-R297 PolarHBondContact OE1-NH2 3.05Å |
| 294 | L | 94.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 171.6 | 176.3 | 62.6 | 0 | 0 | 0 | 110.9 | I248 W283 L284 L287 N290 V291 I292 H296 R297 L298 I314 | I248-L294 HydrophobicContact CD1-CD1 3.67Å; W283-L294 HydrophobicContact CB-CD1 4.5Å; W283-L294 HydrophobicContact CE3-CD1 4.06Å; L284-L294 HydrophobicContact CD2-CB 4.22Å; L284-L294 HydrophobicContact CD2-CD2 3.74Å; L284-L294 HydrophobicContact CG-CD2 4.18Å; L287-L294 HydrophobicContact CD1-CB 3.81Å; L287-L294 HydrophobicContact CD1-CD1 4.01Å; N290-L294 PolarHBondContact O-N 3.2Å; V291-L294 WeakPolarHBondContact O-CB 3.21Å; V291-L294 PolarHBondContact O-N 3.17Å; I292-L294 VanDerWaalsContact C-N 3.27Å; I292-L294 PolarHBondContact O-N 2.91Å; L294-H296 VanDerWaalsContact C-N 3.33Å; L294-H296 PolarHBondContact O-N 2.96Å; L294-R297 WeakPolarHBondContact O-CB 3.46Å; L294-R297 PolarHBondContact O-N 3.11Å; L294-R297 VanDerWaalsContact O-N 3.1Å; L294-L298 WeakPolarHBondContact O-CG 3.5Å; L294-I314 HydrophobicContact CD2-CD1 3.9Å |
| 295 | L | 95.6 | Very high | 92.9 | Very high | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61 | -42.1 | 177.4 | -68.9 | 179.1 | 0 | 0 | 0 | 111.9 | V291 I292 R297 L298 V300 A307 L311 E344 Y348 | V291-L295 WeakPolarHBondContact O-CG 3.47Å; V291-L295 PolarHBondContact O-N 3.32Å; I292-L295 HydrophobicContact CD1-CD1 4.39Å; I292-L295 WeakPolarHBondContact O-CB 3.27Å; I292-L295 PolarHBondContact O-N 3.3Å; I292-L295 VanDerWaalsContact O-N 3.12Å; L295-R297 PolarHBondContact O-N 3.28Å; L295-R297 VanDerWaalsContact O-N 3.1Å; L295-L298 WeakPolarHBondContact O-CB 3.4Å; L295-L298 PolarHBondContact O-N 3.3Å; L295-V300 HydrophobicContact CB-CG1 3.85Å; L295-V300 HydrophobicContact CD2-CG1 4.05Å; L295-V300 HydrophobicContact CG-CG1 4.45Å; L295-A307 HydrophobicContact CD2-CB 4.02Å; L295-L311 HydrophobicContact CD1-CD1 4.07Å; L295-L311 HydrophobicContact CD1-CD2 4.2Å; L295-L311 HydrophobicContact CD2-CD1 4.04Å; L295-L311 HydrophobicContact CD2-CD2 4.18Å; L295-L311 HydrophobicContact CD2-CG 4.03Å; L295-L311 HydrophobicContact CG-CD2 4.44Å; L295-E344 HydrophobicContact CB-CB 3.89Å; L295-E344 HydrophobicContact CB-CG 3.77Å; L295-E344 HydrophobicContact CD1-CB 4.35Å; L295-E344 WeakPolarHBondContact CD1-O 3.15Å; L295-Y348 HydrophobicContact CD1-CD2 4.5Å |
| 296 | H | 94 | Very high | 93 | Very high | 111 Ų | 111 | 50.3 Ų | 50.3 | 51% | 0.514 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.2 | -29 | 176.3 | -172.6 | 60.8 | 0 | 0 | 0 | 112.2 | I292 L294 L298 E344 | I292-H296 PolarHBondContact O-N 3.27Å; L294-H296 VanDerWaalsContact C-N 3.33Å; L294-H296 PolarHBondContact O-N 2.96Å; H296-L298 VanDerWaalsContact C-N 3.31Å; H296-L298 PolarHBondContact O-N 3.24Å; H296-E344 WeakPolarHBondContact CA-OE1 3.12Å; H296-E344 HydrophobicContact CB-CG 4.05Å; H296-E344 IonicContact CE1-OE1 2.74Å; H296-E344 IonicContact CG-OE1 2.81Å; H296-E344 IonicContact ND1-OE1 3.12Å; H296-E344 PolarHBondContact ND1-OE1 3.25Å |
| 297 | R | 93.9 | Very high | 93.1 | Very high | 43 Ų | 43 | 46.6 Ų | 46.6 | 16% | 0.162 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -2.2 | 177.9 | -65.9 | -84.5 | 179.6 | 66.5 | 9.4 | 113.8 | I248 R256 E293 L294 L295 | I248-R297 HydrophobicContact CD1-CB 4.41Å; R256-R297 VanDerWaalsContact CD-O 3.25Å; R256-R297 WeakPolarHBondContact CD-O 3.21Å; R256-R297 VanDerWaalsContact NH1-CD 3.32Å; R256-R297 PolarHBondContact NH1-O 2.95Å; E293-R297 WeakPolarHBondContact O-CG 3.5Å; E293-R297 PolarHBondContact O-N 3.34Å; E293-R297 IonicContact OE1-CZ 2.75Å; E293-R297 IonicContact OE1-NE 3.97Å; E293-R297 PolarHBondContact OE1-NE 3.31Å; E293-R297 IonicContact OE1-NH1 3.68Å; E293-R297 IonicContact OE1-NH2 3.92Å; E293-R297 PolarHBondContact OE1-NH2 3.05Å; L294-R297 WeakPolarHBondContact O-CB 3.46Å; L294-R297 PolarHBondContact O-N 3.11Å; L294-R297 VanDerWaalsContact O-N 3.1Å; L295-R297 PolarHBondContact O-N 3.28Å; L295-R297 VanDerWaalsContact O-N 3.1Å |
| 298 | L | 93.9 | Very high | 93.3 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | -6.4 | -177.5 | -65.4 | -179 | 0 | 0 | 0 | 114.6 | R256 V257 L260 L294 L295 H296 T310 | R256-L298 HydrophobicContact CB-CD2 3.82Å; V257-L298 HydrophobicContact CG2-CD2 4.47Å; V257-L298 WeakPolarHBondContact CG2-O 3.37Å; L260-L298 HydrophobicContact CD1-CD1 3.74Å; L260-L298 HydrophobicContact CD1-CD2 3.54Å; L260-L298 HydrophobicContact CD1-CG 4.31Å; L294-L298 WeakPolarHBondContact O-CG 3.5Å; L295-L298 WeakPolarHBondContact O-CB 3.4Å; L295-L298 PolarHBondContact O-N 3.3Å; H296-L298 VanDerWaalsContact C-N 3.31Å; H296-L298 PolarHBondContact O-N 3.24Å; L298-T310 HydrophobicContact CD1-CG2 4.47Å |
| 299 | D | 90.7 | Very high | 93.6 | Very high | 57 Ų | 57 | 41.7 Ų | 41.7 | 31% | 0.305 | 22% | 0.218 | S | C | . | . | trans | 55.5 | 67.7 | -175.2 | -178.8 | 17.2 | 0 | 0 | 0 | 111.6 | I253 E301 N302 C303 | I253-D299 HydrophobicContact CD1-CB 4.49Å; I253-D299 HydrophobicContact CG2-CB 3.54Å; D299-E301 PolarHBondContact O-N 3.48Å; D299-N302 VanDerWaalsContact CG-ND2 3.33Å; D299-N302 PolarHBondContact O-N 3.11Å; D299-N302 PolarHBondContact OD1-ND2 3.33Å; D299-N302 VanDerWaalsContact OD1-ND2 3.07Å; D299-N302 PolarHBondContact OD2-ND2 2.77Å; D299-C303 WeakPolarHBondContact O-CB 3.29Å; D299-C303 PolarHBondContact O-N 3.24Å | ||
| 300 | V | 94.2 | Very high | 94 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.012 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -23.6 | -173.8 | -70.3 | 0 | 0 | 0 | 0 | 114 | L295 A304 A307 C343 E344 L347 F410 | L295-V300 HydrophobicContact CB-CG1 3.85Å; L295-V300 HydrophobicContact CD2-CG1 4.05Å; L295-V300 HydrophobicContact CG-CG1 4.45Å; V300-A304 VanDerWaalsContact O-CA 3.31Å; V300-A304 WeakPolarHBondContact O-CA 3.23Å; V300-A304 WeakPolarHBondContact O-CB 3.36Å; V300-A304 PolarHBondContact O-N 3.31Å; V300-A304 VanDerWaalsContact O-N 3.12Å; V300-A307 HydrophobicContact CG1-CB 3.85Å; V300-C343 HydrophobicContact CG2-CB 3.54Å; V300-E344 HydrophobicContact CG2-CG 3.95Å; V300-L347 HydrophobicContact CB-CD2 3.76Å; V300-L347 HydrophobicContact CG1-CD2 3.78Å; V300-F410 WeakPolarHBondContact O-CE2 3.25Å; V300-F410 VanDerWaalsContact O-CZ 3.31Å; V300-F410 WeakPolarHBondContact O-CZ 3.38Å |
| 301 | E | 92.2 | Very high | 94.3 | Very high | 48 Ų | 48 | 36.7 Ų | 36.7 | 22% | 0.224 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -44 | 179.8 | -172.4 | 169.1 | 160.1 | 0 | 0 | 110.8 | D299 M406 T407 F410 | D299-E301 PolarHBondContact O-N 3.48Å; E301-M406 WeakPolarHBondContact OE1-CB 3.42Å; E301-T407 PolarHBondContact OE1-N 3.47Å; E301-T407 PolarHBondContact OE2-OG1 2.91Å; E301-F410 HydrophobicContact CB-CD2 4.48Å; E301-F410 HydrophobicContact CG-CB 4.09Å; E301-F410 HydrophobicContact CG-CD2 4.14Å; E301-F410 HydrophobicContact CG-CG 4.1Å |
| 302 | N | 90.1 | Very high | 94.4 | Very high | 113 Ų | 113 | 40.2 Ų | 40.2 | 60% | 0.604 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -23.7 | 179.6 | -63.5 | -65.7 | 0 | 0 | 0 | 113.2 | D299 | D299-N302 VanDerWaalsContact CG-ND2 3.33Å; D299-N302 PolarHBondContact O-N 3.11Å; D299-N302 PolarHBondContact OD1-ND2 3.33Å; D299-N302 VanDerWaalsContact OD1-ND2 3.07Å; D299-N302 PolarHBondContact OD2-ND2 2.77Å |
| 303 | C | 92.9 | Very high | 94.5 | Very high | 35 Ų | 35 | 39 Ų | 39 | 24% | 0.236 | 19% | 0.194 | C | C | . | . | trans | -124.9 | 36 | -170.2 | -63.3 | 0 | 0 | 0 | 0 | 113.6 | V257 D299 E305 T306 A307 | V257-C303 HydrophobicContact CG1-CB 3.96Å; V257-C303 HydrophobicContact CG2-CB 4Å; D299-C303 WeakPolarHBondContact O-CB 3.29Å; D299-C303 PolarHBondContact O-N 3.24Å; C303-E305 PolarHBondContact O-N 2.96Å; C303-T306 PolarHBondContact O-N 2.87Å; C303-A307 PolarHBondContact O-N 3.31Å; C303-A307 VanDerWaalsContact O-N 3.11Å | ||
| 304 | A | 94.1 | Very high | 94.6 | Very high | 22 Ų | 22 | 36.2 Ų | 36.2 | 18% | 0.182 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -53.9 | -45.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114 | V300 T306 A307 M308 L347 F410 | V300-A304 VanDerWaalsContact O-CA 3.31Å; V300-A304 WeakPolarHBondContact O-CA 3.23Å; V300-A304 WeakPolarHBondContact O-CB 3.36Å; V300-A304 PolarHBondContact O-N 3.31Å; V300-A304 VanDerWaalsContact O-N 3.12Å; A304-T306 PolarHBondContact O-N 3.41Å; A304-A307 WeakPolarHBondContact O-CB 3.32Å; A304-A307 PolarHBondContact O-N 2.83Å; A304-A307 VanDerWaalsContact O-N 3.16Å; A304-M308 VanDerWaalsContact O-CG 3.3Å; A304-M308 WeakPolarHBondContact O-CG 3.45Å; A304-M308 PolarHBondContact O-N 3.46Å; A304-L347 HydrophobicContact CB-CD1 4.44Å; A304-L347 HydrophobicContact CB-CD2 4.44Å; A304-F410 HydrophobicContact CB-CE2 3.9Å; A304-F410 HydrophobicContact CB-CZ 4.08Å |
| 305 | E | 93.9 | Very high | 94.6 | Very high | 154 Ų | 154 | 36.3 Ų | 36.3 | 72% | 0.72 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -59 | -47.6 | -178.6 | -66 | -173.2 | 162 | 0 | 0 | 112.1 | C303 A307 M308 E309 | C303-E305 PolarHBondContact O-N 2.96Å; E305-A307 VanDerWaalsContact C-N 3.3Å; E305-A307 PolarHBondContact O-N 3.09Å; E305-M308 PolarHBondContact O-N 3.21Å; E305-E309 WeakPolarHBondContact O-CG 3.4Å; E305-E309 PolarHBondContact O-N 3.06Å |
| 306 | T | 95.8 | Very high | 94.4 | Very high | 12 Ų | 12 | 44 Ų | 44 | 7% | 0.074 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.6 | -36.7 | 178.1 | -59.7 | 0 | 0 | 0 | 0 | 111.4 | V257 L260 Q261 C303 A304 T310 | V257-T306 HydrophobicContact CG1-CG2 4.06Å; L260-T306 HydrophobicContact CB-CG2 3.75Å; Q261-T306 HydrophobicContact CB-CG2 4.15Å; C303-T306 PolarHBondContact O-N 2.87Å; A304-T306 PolarHBondContact O-N 3.41Å; T306-T310 WeakPolarHBondContact O-CB 3.36Å; T306-T310 PolarHBondContact O-N 3.44Å; T306-T310 PolarHBondContact O-OG1 3.23Å |
| 307 | A | 96.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.1 | -43.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L295 V300 C303 A304 E305 E309 T310 L311 L347 | L295-A307 HydrophobicContact CD2-CB 4.02Å; V300-A307 HydrophobicContact CG1-CB 3.85Å; C303-A307 PolarHBondContact O-N 3.31Å; C303-A307 VanDerWaalsContact O-N 3.11Å; A304-A307 WeakPolarHBondContact O-CB 3.32Å; A304-A307 PolarHBondContact O-N 2.83Å; A304-A307 VanDerWaalsContact O-N 3.16Å; E305-A307 VanDerWaalsContact C-N 3.3Å; E305-A307 PolarHBondContact O-N 3.09Å; A307-E309 PolarHBondContact O-N 3.2Å; A307-T310 WeakPolarHBondContact O-CB 2.96Å; A307-T310 PolarHBondContact O-N 3.32Å; A307-L311 WeakPolarHBondContact O-CG 3.46Å; A307-L311 PolarHBondContact O-N 2.95Å; A307-L347 HydrophobicContact CB-CD2 3.69Å |
| 308 | M | 96.4 | Very high | 94 | Very high | 16 Ų | 16 | 42.7 Ų | 42.7 | 8% | 0.079 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.4 | -41.3 | 175.7 | -68.6 | -175.1 | 77.1 | 0 | 0 | 112.1 | A304 E305 T310 L311 K312 L347 S351 E354 | A304-M308 VanDerWaalsContact O-CG 3.3Å; A304-M308 WeakPolarHBondContact O-CG 3.45Å; A304-M308 PolarHBondContact O-N 3.46Å; E305-M308 PolarHBondContact O-N 3.21Å; M308-T310 VanDerWaalsContact C-N 3.34Å; M308-L311 PolarHBondContact O-N 3.47Å; M308-K312 WeakPolarHBondContact O-CB 3.36Å; M308-K312 VanDerWaalsContact O-CG 3.29Å; M308-K312 WeakPolarHBondContact O-CG 3.31Å; M308-K312 PolarHBondContact O-N 2.87Å; M308-L347 HydrophobicContact CG-CD1 3.69Å; M308-L347 HydrophobicContact CG-CG 4.25Å; M308-L347 HydrophobicContact SD-CD1 4.11Å; M308-S351 WeakPolarHBondContact CG-OG 3.49Å; M308-E354 WeakPolarHBondContact CE-OE2 3.33Å |
| 309 | E | 96.4 | Very high | 93.7 | Very high | 51 Ų | 51 | 45.4 Ų | 45.4 | 24% | 0.238 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.5 | -38.9 | 175 | -71.9 | 165.4 | -177.9 | 0 | 0 | 112.4 | L264 H265 E305 A307 K312 A313 | L264-E309 HydrophobicContact CD1-CB 4.11Å; H265-E309 IonicContact CE1-OE1 2.83Å; H265-E309 PolarHBondContact CE1-OE1 3.26Å; H265-E309 IonicContact CE1-OE2 3.83Å; H265-E309 PolarHBondContact CE1-OE2 3.22Å; H265-E309 IonicContact ND1-OE2 2.7Å; H265-E309 IonicContact NE2-OE1 3.53Å; H265-E309 PolarHBondContact NE2-OE1 2.75Å; H265-E309 VanDerWaalsContact NE2-OE1 3.11Å; H265-E309 IonicContact NE2-OE2 2.68Å; E305-E309 WeakPolarHBondContact O-CG 3.4Å; E305-E309 PolarHBondContact O-N 3.06Å; A307-E309 PolarHBondContact O-N 3.2Å; E309-K312 PolarHBondContact O-N 3.4Å; E309-A313 WeakPolarHBondContact O-CB 3.48Å; E309-A313 PolarHBondContact O-N 3.16Å |
| 310 | T | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.1 | -45.1 | 174.4 | -61.8 | 0 | 0 | 0 | 0 | 110.7 | L260 L280 L298 T306 A307 M308 A313 I314 | L260-T310 HydrophobicContact CD1-CG2 4.23Å; L260-T310 WeakPolarHBondContact CD1-OG1 3.24Å; L260-T310 HydrophobicContact CD2-CG2 4.46Å; L280-T310 HydrophobicContact CD1-CG2 4.38Å; L280-T310 HydrophobicContact CD2-CG2 3.67Å; L298-T310 HydrophobicContact CD1-CG2 4.47Å; T306-T310 WeakPolarHBondContact O-CB 3.36Å; T306-T310 PolarHBondContact O-N 3.44Å; T306-T310 PolarHBondContact O-OG1 3.23Å; A307-T310 WeakPolarHBondContact O-CB 2.96Å; A307-T310 PolarHBondContact O-N 3.32Å; M308-T310 VanDerWaalsContact C-N 3.34Å; T310-A313 WeakPolarHBondContact O-CB 3.1Å; T310-A313 PolarHBondContact O-N 2.98Å; T310-I314 HydrophobicContact CG2-CD1 3.99Å; T310-I314 VanDerWaalsContact O-CG1 3.32Å; T310-I314 WeakPolarHBondContact O-CG1 3.46Å; T310-I314 PolarHBondContact O-N 2.83Å |
| 311 | L | 96.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.2 | -47.2 | 174.1 | -72.2 | 170.1 | 0 | 0 | 0 | 111.5 | V291 L295 A307 M308 A313 I314 F315 Y348 S351 | V291-L311 HydrophobicContact CG1-CD2 3.51Å; L295-L311 HydrophobicContact CD1-CD1 4.07Å; L295-L311 HydrophobicContact CD1-CD2 4.2Å; L295-L311 HydrophobicContact CD2-CD1 4.04Å; L295-L311 HydrophobicContact CD2-CD2 4.18Å; L295-L311 HydrophobicContact CD2-CG 4.03Å; L295-L311 HydrophobicContact CG-CD2 4.44Å; A307-L311 WeakPolarHBondContact O-CG 3.46Å; A307-L311 PolarHBondContact O-N 2.95Å; M308-L311 PolarHBondContact O-N 3.47Å; L311-A313 PolarHBondContact O-N 3.41Å; L311-I314 PolarHBondContact O-N 2.96Å; L311-I314 VanDerWaalsContact O-N 3.11Å; L311-F315 HydrophobicContact CB-CD2 4.35Å; L311-F315 HydrophobicContact CB-CE2 3.79Å; L311-F315 HydrophobicContact CB-CZ 4.03Å; L311-F315 HydrophobicContact CD2-CE1 4.39Å; L311-F315 HydrophobicContact CD2-CZ 4Å; L311-F315 WeakPolarHBondContact O-CB 3.4Å; L311-F315 VanDerWaalsContact O-CD2 3.23Å; L311-F315 WeakPolarHBondContact O-CD2 3.5Å; L311-F315 WeakPolarHBondContact O-CG 3.45Å; L311-F315 PolarHBondContact O-N 3.41Å; L311-Y348 HydrophobicContact CD2-CD2 3.69Å; L311-Y348 HydrophobicContact CD2-CE2 4.19Å; L311-S351 WeakPolarHBondContact CD1-OG 3.47Å |
| 312 | K | 95.8 | Very high | 92.6 | Very high | 77 Ų | 77 | 52.7 Ų | 52.7 | 34% | 0.335 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.3 | -37.3 | 174.3 | -73.5 | 170.4 | -175.8 | 174.3 | 0 | 112 | M308 E309 K316 E354 | M308-K312 WeakPolarHBondContact O-CB 3.36Å; M308-K312 VanDerWaalsContact O-CG 3.29Å; M308-K312 WeakPolarHBondContact O-CG 3.31Å; M308-K312 PolarHBondContact O-N 2.87Å; E309-K312 PolarHBondContact O-N 3.4Å; K312-K316 VanDerWaalsContact O-CG 3.24Å; K312-K316 WeakPolarHBondContact O-CG 3.27Å; K312-K316 PolarHBondContact O-N 3.02Å; K312-E354 IonicContact NZ-OE2 2.82Å |
| 313 | A | 95.9 | Very high | 92.3 | Very high | 9 Ų | 9 | 47.3 Ų | 47.3 | 7% | 0.074 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.8 | -40.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | L264 L280 E309 T310 L311 | L264-A313 HydrophobicContact CD2-CB 3.95Å; L280-A313 HydrophobicContact CD1-CB 3.9Å; E309-A313 WeakPolarHBondContact O-CB 3.48Å; E309-A313 PolarHBondContact O-N 3.16Å; T310-A313 WeakPolarHBondContact O-CB 3.1Å; T310-A313 PolarHBondContact O-N 2.98Å; L311-A313 PolarHBondContact O-N 3.41Å |
| 314 | I | 95.4 | Very high | 91.8 | Very high | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.5 | -46.6 | 175.3 | -67.5 | 165.5 | 0 | 0 | 0 | 110.6 | L280 L284 V291 L294 T310 L311 K316 T317 M318 | L280-I314 HydrophobicContact CD1-CG1 4.24Å; L284-I314 HydrophobicContact CD1-CD1 4.12Å; L284-I314 HydrophobicContact CD1-CG1 4.2Å; L284-I314 HydrophobicContact CD1-CG2 4.29Å; V291-I314 HydrophobicContact CG1-CD1 4.46Å; L294-I314 HydrophobicContact CD2-CD1 3.9Å; T310-I314 HydrophobicContact CG2-CD1 3.99Å; T310-I314 VanDerWaalsContact O-CG1 3.32Å; T310-I314 WeakPolarHBondContact O-CG1 3.46Å; T310-I314 PolarHBondContact O-N 2.83Å; L311-I314 PolarHBondContact O-N 2.96Å; L311-I314 VanDerWaalsContact O-N 3.11Å; I314-K316 PolarHBondContact O-N 3.04Å; I314-T317 PolarHBondContact O-N 3.32Å; I314-T317 PolarHBondContact O-OG1 3.21Å; I314-M318 HydrophobicContact CG2-CE 4.05Å; I314-M318 HydrophobicContact CG2-CG 4.11Å; I314-M318 HydrophobicContact CG2-SD 3.62Å; I314-M318 WeakPolarHBondContact O-CG 3.47Å; I314-M318 PolarHBondContact O-N 2.76Å; I314-M318 VanDerWaalsContact O-N 3.11Å |
| 315 | F | 94.3 | Very high | 91.2 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.009 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.2 | -28.9 | -178.1 | -60.7 | -30.8 | 0 | 0 | 0 | 113.4 | L311 T317 M318 L323 Y348 L352 F355 | L311-F315 HydrophobicContact CB-CD2 4.35Å; L311-F315 HydrophobicContact CB-CE2 3.79Å; L311-F315 HydrophobicContact CB-CZ 4.03Å; L311-F315 HydrophobicContact CD2-CE1 4.39Å; L311-F315 HydrophobicContact CD2-CZ 4Å; L311-F315 WeakPolarHBondContact O-CB 3.4Å; L311-F315 VanDerWaalsContact O-CD2 3.23Å; L311-F315 WeakPolarHBondContact O-CD2 3.5Å; L311-F315 WeakPolarHBondContact O-CG 3.45Å; L311-F315 PolarHBondContact O-N 3.41Å; F315-T317 PolarHBondContact O-N 2.96Å; F315-M318 HydrophobicContact CD1-SD 4.37Å; F315-L323 HydrophobicContact CB-CD2 3.82Å; F315-L323 HydrophobicContact CD1-CD2 3.43Å; F315-L323 VanDerWaalsContact CD1-CD2 3.43Å; F315-L323 HydrophobicContact CE1-CD2 4.24Å; F315-L323 HydrophobicContact CG-CD2 3.86Å; F315-Y348 HydrophobicContact CE1-CD2 4.43Å; F315-Y348 AromaticContact CE1-CE2 3.63Å; F315-Y348 HydrophobicContact CE1-CE2 3.63Å; F315-Y348 AromaticContact CE1-CZ 3.91Å; F315-Y348 HydrophobicContact CZ-CD2 4.14Å; F315-Y348 AromaticContact CZ-CE2 3.74Å; F315-Y348 HydrophobicContact CZ-CE2 3.74Å; F315-L352 HydrophobicContact CE1-CD1 4.37Å; F315-L352 HydrophobicContact CE2-CB 4.2Å; F315-L352 HydrophobicContact CE2-CD1 4.45Å; F315-L352 HydrophobicContact CZ-CB 4.05Å; F315-L352 HydrophobicContact CZ-CD1 4.25Å; F315-F355 HydrophobicContact CB-CD1 3.7Å; F315-F355 HydrophobicContact CB-CD2 4.02Å; F315-F355 HydrophobicContact CB-CE1 3.56Å; F315-F355 HydrophobicContact CB-CE2 3.91Å; F315-F355 HydrophobicContact CB-CG 3.92Å; F315-F355 HydrophobicContact CB-CZ 3.67Å; F315-F355 HydrophobicContact CD2-CB 3.87Å; F315-F355 HydrophobicContact CD2-CD1 4.13Å; F315-F355 HydrophobicContact CD2-CD2 4.37Å; F315-F355 AromaticContact CD2-CG 3.87Å; F315-F355 HydrophobicContact CD2-CG 3.87Å; F315-F355 HydrophobicContact CE2-CB 4.48Å; F315-F355 HydrophobicContact CG-CD1 4.21Å; F315-F355 HydrophobicContact CG-CG 4.32Å |
| 316 | K | 92.7 | Very high | 90.4 | Very high | 165 Ų | 165 | 48.6 Ų | 48.6 | 72% | 0.717 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -26.9 | 173.9 | -78.5 | 172.4 | -175.9 | 179.5 | 0 | 113.3 | K312 I314 F355 | K312-K316 VanDerWaalsContact O-CG 3.24Å; K312-K316 WeakPolarHBondContact O-CG 3.27Å; K312-K316 PolarHBondContact O-N 3.02Å; I314-K316 PolarHBondContact O-N 3.04Å; K316-F355 HydrophobicContact CG-CE2 4Å; K316-F355 HydrophobicContact CG-CZ 4.43Å |
| 317 | T | 88.5 | Confident | 89.6 | Confident | 96 Ų | 96 | 50.9 Ų | 50.9 | 59% | 0.589 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | -13.1 | -178.5 | 59.4 | 0 | 0 | 0 | 0 | 113.1 | I314 F315 | I314-T317 PolarHBondContact O-N 3.32Å; I314-T317 PolarHBondContact O-OG1 3.21Å; F315-T317 PolarHBondContact O-N 2.96Å |
| 318 | M | 89.7 | Confident | 88.6 | Confident | 30 Ų | 30 | 51 Ų | 51 | 15% | 0.148 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -80.9 | 140.1 | 176.5 | -76.4 | -177.5 | 143.5 | 0 | 0 | 112.6 | V291 I314 F315 L323 | V291-M318 HydrophobicContact CG2-CE 4.31Å; I314-M318 HydrophobicContact CG2-CE 4.05Å; I314-M318 HydrophobicContact CG2-CG 4.11Å; I314-M318 HydrophobicContact CG2-SD 3.62Å; I314-M318 WeakPolarHBondContact O-CG 3.47Å; I314-M318 PolarHBondContact O-N 2.76Å; I314-M318 VanDerWaalsContact O-N 3.11Å; F315-M318 HydrophobicContact CD1-SD 4.37Å; M318-L323 HydrophobicContact CB-CD2 3.94Å; M318-L323 HydrophobicContact CB-CG 4.18Å; M318-L323 HydrophobicContact SD-CD2 4.33Å |
| 319 | P | 88.1 | Confident | 88.2 | Confident | 58 Ų | 58 | 55.7 Ų | 55.7 | 38% | 0.377 | 28% | 0.279 | S | S | . | . | trans | -70.1 | 159.8 | 170.8 | 31.9 | -35 | 0 | 0 | 0 | 111.4 | E321 E322 L323 | P319-E321 VanDerWaalsContact C-N 3.29Å; P319-E321 PolarHBondContact O-N 2.95Å; P319-E322 HydrophobicContact CG-CB 3.92Å; P319-E322 HydrophobicContact CG-CG 3.7Å; P319-E322 PolarHBondContact O-N 3.35Å; P319-E322 VanDerWaalsContact O-N 3.17Å; P319-L323 PolarHBondContact O-N 3.14Å | ||
| 320 | A | 83.9 | Confident | 87.9 | Confident | 40 Ų | 40 | 54.3 Ų | 54.3 | 33% | 0.331 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.6 | -36.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E322 L323 L324 M366 | A320-E322 VanDerWaalsContact C-N 3.3Å; A320-E322 PolarHBondContact O-N 3.29Å; A320-L323 WeakPolarHBondContact O-CB 3.37Å; A320-L323 PolarHBondContact O-N 3.37Å; A320-L324 PolarHBondContact O-N 2.93Å; A320-M366 HydrophobicContact CB-SD 4.21Å |
| 321 | E | 85.1 | Confident | 87.5 | Confident | 144 Ų | 144 | 57 Ų | 57 | 67% | 0.673 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -65.4 | -33.9 | 179.3 | -58.8 | 79.1 | -174.1 | 0 | 0 | 112 | P319 | P319-E321 VanDerWaalsContact C-N 3.29Å; P319-E321 PolarHBondContact O-N 2.95Å |
| 322 | E | 85.9 | Confident | 87.1 | Confident | 76 Ų | 76 | 65.3 Ų | 65.3 | 36% | 0.355 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -76.8 | -31.3 | 176.2 | -74.8 | -178.3 | -154.9 | 0 | 0 | 112.5 | P319 A320 L324 Q325 | P319-E322 HydrophobicContact CG-CB 3.92Å; P319-E322 HydrophobicContact CG-CG 3.7Å; P319-E322 PolarHBondContact O-N 3.35Å; P319-E322 VanDerWaalsContact O-N 3.17Å; A320-E322 VanDerWaalsContact C-N 3.3Å; A320-E322 PolarHBondContact O-N 3.29Å; E322-L324 VanDerWaalsContact C-N 3.28Å; E322-L324 PolarHBondContact O-N 2.86Å; E322-Q325 WeakPolarHBondContact O-CB 3.22Å; E322-Q325 PolarHBondContact O-N 3.31Å |
| 323 | L | 83.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.2 | -34.6 | 175.5 | -69.3 | 174.4 | 0 | 0 | 0 | 112.1 | F315 M318 P319 A320 Q325 L352 F355 | F315-L323 HydrophobicContact CB-CD2 3.82Å; F315-L323 HydrophobicContact CD1-CD2 3.43Å; F315-L323 VanDerWaalsContact CD1-CD2 3.43Å; F315-L323 HydrophobicContact CE1-CD2 4.24Å; F315-L323 HydrophobicContact CG-CD2 3.86Å; M318-L323 HydrophobicContact CB-CD2 3.94Å; M318-L323 HydrophobicContact CB-CG 4.18Å; M318-L323 HydrophobicContact SD-CD2 4.33Å; P319-L323 PolarHBondContact O-N 3.14Å; A320-L323 WeakPolarHBondContact O-CB 3.37Å; A320-L323 PolarHBondContact O-N 3.37Å; L323-Q325 VanDerWaalsContact C-N 3.33Å; L323-L352 HydrophobicContact CB-CD1 4.38Å; L323-L352 HydrophobicContact CD2-CD1 4.22Å; L323-F355 HydrophobicContact CD1-CE1 3.92Å |
| 324 | L | 82.4 | Confident | 86.6 | Confident | 53 Ų | 53 | 74.2 Ų | 74.2 | 28% | 0.277 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -5.5 | 178.9 | -66.9 | 175.8 | 0 | 0 | 0 | 113.7 | A320 E322 N326 M366 Q369 V370 | A320-L324 PolarHBondContact O-N 2.93Å; E322-L324 VanDerWaalsContact C-N 3.28Å; E322-L324 PolarHBondContact O-N 2.86Å; L324-N326 PolarHBondContact O-N 3.2Å; L324-M366 HydrophobicContact CD1-CG 4.16Å; L324-M366 HydrophobicContact CD2-CB 3.94Å; L324-M366 HydrophobicContact CD2-CG 4.07Å; L324-M366 HydrophobicContact CG-CG 4.39Å; L324-M366 HydrophobicContact CG-SD 4.48Å; L324-Q369 HydrophobicContact CD2-CB 4.4Å; L324-V370 HydrophobicContact CD2-CG1 4.23Å |
| 325 | Q | 82.1 | Confident | 86.6 | Confident | 93 Ų | 93 | 74.4 Ų | 74.4 | 44% | 0.435 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -60.8 | 131.2 | 170.7 | -71.2 | 175.2 | -3.6 | 0 | 0 | 108.9 | E322 L323 R327 | E322-Q325 WeakPolarHBondContact O-CB 3.22Å; E322-Q325 PolarHBondContact O-N 3.31Å; L323-Q325 VanDerWaalsContact C-N 3.33Å; Q325-R327 HydrophobicContact CB-CG 4.27Å; Q325-R327 PolarHBondContact O-N 2.87Å |
| 326 | N | 76.6 | Confident | 86.6 | Confident | 92 Ų | 92 | 74.3 Ų | 74.3 | 49% | 0.492 | 37% | 0.365 | S | S | . | . | trans | -71.2 | 66.8 | -176.2 | -171.7 | 12.9 | 0 | 0 | 0 | 112.8 | L324 A328 Q329 L330 | L324-N326 PolarHBondContact O-N 3.2Å; N326-A328 VanDerWaalsContact C-N 3.35Å; N326-Q329 PolarHBondContact O-N 2.94Å; N326-Q329 PolarHBondContact OD1-N 3.35Å; N326-Q329 VanDerWaalsContact OD1-N 3.15Å; N326-L330 PolarHBondContact ND2-N 2.86Å; N326-L330 PolarHBondContact ND2-O 3.27Å; N326-L330 PolarHBondContact OD1-N 3.28Å | ||
| 327 | R | 77.7 | Confident | 86.6 | Confident | 60 Ų | 60 | 68.7 Ų | 68.7 | 23% | 0.226 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -21.9 | 179.5 | -67 | 176 | 179.8 | -108.5 | -0.7 | 112.3 | G289 Q325 Q329 Y348 | G289-R327 PolarHBondContact O-NH1 3.37Å; Q325-R327 HydrophobicContact CB-CG 4.27Å; Q325-R327 PolarHBondContact O-N 2.87Å; R327-Q329 VanDerWaalsContact C-N 3.26Å; R327-Y348 HydrophobicContact CB-CE1 3.89Å; R327-Y348 WeakPolarHBondContact CD-OH 3.36Å |
| 328 | A | 77.1 | Confident | 86.6 | Confident | 4 Ų | 4 | 69.1 Ų | 69.1 | 3% | 0.033 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -11 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | N326 L330 I336 Y348 W349 | N326-A328 VanDerWaalsContact C-N 3.35Å; A328-L330 HydrophobicContact CB-CD2 4.09Å; A328-L330 HydrophobicContact CB-CG 4.06Å; A328-I336 HydrophobicContact CB-CD1 4.47Å; A328-I336 WeakPolarHBondContact O-CG1 3.37Å; A328-Y348 HydrophobicContact CB-CD1 4.05Å; A328-Y348 HydrophobicContact CB-CE1 4.43Å; A328-W349 HydrophobicContact CB-CB 4.13Å |
| 329 | Q | 87.6 | Confident | 86.5 | Confident | 114 Ų | 114 | 75.8 Ų | 75.8 | 53% | 0.533 | 38% | 0.377 | S | S | . | . | trans | 63.1 | 43.1 | -176.6 | -53.3 | 176.3 | -13 | 0 | 0 | 113.3 | N326 R327 P337 | N326-Q329 PolarHBondContact O-N 2.94Å; N326-Q329 PolarHBondContact OD1-N 3.35Å; N326-Q329 VanDerWaalsContact OD1-N 3.15Å; R327-Q329 VanDerWaalsContact C-N 3.26Å; Q329-P337 WeakPolarHBondContact O-CD 3.3Å | ||
| 330 | L | 89.6 | Confident | 86.7 | Confident | 23 Ų | 23 | 75.4 Ų | 75.4 | 12% | 0.12 | 38% | 0.376 | C | S | . | . | trans | -66.4 | 140.2 | 174.6 | -54.4 | 176.9 | 0 | 0 | 0 | 111.1 | N326 A328 V335 I336 W349 V370 | N326-L330 PolarHBondContact ND2-N 2.86Å; N326-L330 PolarHBondContact ND2-O 3.27Å; N326-L330 PolarHBondContact OD1-N 3.28Å; A328-L330 HydrophobicContact CB-CD2 4.09Å; A328-L330 HydrophobicContact CB-CG 4.06Å; L330-V335 CarbonylContact C-O 3.59Å; L330-V335 WeakPolarHBondContact CA-O 3.34Å; L330-I336 HydrophobicContact CD2-CG1 3.72Å; L330-W349 HydrophobicContact CD2-CD2 4.07Å; L330-W349 HydrophobicContact CD2-CG 4.33Å; L330-W349 HydrophobicContact CD2-CZ2 4.2Å; L330-V370 HydrophobicContact CD1-CB 4.18Å | ||
| 331 | D | 89.1 | Confident | 87.2 | Confident | 57 Ų | 57 | 74.5 Ų | 74.5 | 31% | 0.305 | 37% | 0.365 | S | S | . | . | trans | -84.7 | -172.5 | 173.3 | 74.7 | -4.4 | 0 | 0 | 0 | 112.4 | R333 K334 V335 P337 | D331-R333 PolarHBondContact O-N 3.33Å; D331-R333 VanDerWaalsContact O-N 3.15Å; D331-R333 VanDerWaalsContact OD1-CA 3.31Å; D331-R333 WeakPolarHBondContact OD1-CA 3.31Å; D331-R333 VanDerWaalsContact OD1-CB 3.31Å; D331-R333 WeakPolarHBondContact OD1-CB 3.47Å; D331-R333 PolarHBondContact OD1-N 3.17Å; D331-K334 WeakPolarHBondContact O-CA 3.22Å; D331-K334 PolarHBondContact O-N 3.47Å; D331-K334 PolarHBondContact OD1-N 3.08Å; D331-V335 PolarHBondContact N-O 3.02Å; D331-V335 WeakPolarHBondContact OD1-CG2 3.46Å; D331-V335 PolarHBondContact OD1-N 3.23Å; D331-V335 VanDerWaalsContact OD1-N 3.11Å; D331-V335 VanDerWaalsContact OD1-O 3.1Å; D331-P337 HydrophobicContact CB-CG 4.12Å | ||
| 332 | D | 87.9 | Confident | 87.7 | Confident | 175 Ų | 175 | 70.2 Ų | 70.2 | 94% | 0.936 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -20.9 | 178.1 | -65.7 | -28.6 | 0 | 0 | 0 | 113.5 | K334 | D332-K334 VanDerWaalsContact C-N 3.27Š|
| 333 | R | 89.2 | Confident | 88.2 | Confident | 192 Ų | 192 | 67 Ų | 67 | 73% | 0.725 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 4.3 | 175.6 | -52.5 | 175.9 | -170.1 | 177.5 | 5.8 | 111.7 | D331 V335 P372 | D331-R333 PolarHBondContact O-N 3.33Å; D331-R333 VanDerWaalsContact O-N 3.15Å; D331-R333 VanDerWaalsContact OD1-CA 3.31Å; D331-R333 WeakPolarHBondContact OD1-CA 3.31Å; D331-R333 VanDerWaalsContact OD1-CB 3.31Å; D331-R333 WeakPolarHBondContact OD1-CB 3.47Å; D331-R333 PolarHBondContact OD1-N 3.17Å; R333-V335 HydrophobicContact CB-CG2 4.18Å; R333-V335 PolarHBondContact O-N 2.95Å; R333-P372 WeakPolarHBondContact O-CB 3.34Å |
| 334 | K | 92.8 | Very high | 88.8 | Confident | 80 Ų | 80 | 68.3 Ų | 68.3 | 35% | 0.348 | 34% | 0.341 | S | S | . | . | S | Bend | trans | 61.7 | 29.1 | -176.9 | -52 | 171.6 | -175.9 | 169.9 | 0 | 112.8 | D331 D332 W349 E368 L371 P372 | D331-K334 WeakPolarHBondContact O-CA 3.22Å; D331-K334 PolarHBondContact O-N 3.47Å; D331-K334 PolarHBondContact OD1-N 3.08Å; D332-K334 VanDerWaalsContact C-N 3.27Å; K334-W349 WeakPolarHBondContact O-CZ2 3.14Å; K334-E368 WeakPolarHBondContact CE-O 3.35Å; K334-E368 PolarHBondContact NZ-O 3.19Å; K334-L371 WeakPolarHBondContact CD-O 3.4Å; K334-P372 WeakPolarHBondContact O-CD 3.49Å |
| 335 | V | 93.9 | Very high | 89.4 | Confident | 9 Ų | 9 | 66 Ų | 66 | 6% | 0.055 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -120 | 158.2 | 172.8 | -59.4 | 0 | 0 | 0 | 0 | 110.3 | L330 D331 R333 W349 P372 Y380 | L330-V335 CarbonylContact C-O 3.59Å; L330-V335 WeakPolarHBondContact CA-O 3.34Å; D331-V335 PolarHBondContact N-O 3.02Å; D331-V335 WeakPolarHBondContact OD1-CG2 3.46Å; D331-V335 PolarHBondContact OD1-N 3.23Å; D331-V335 VanDerWaalsContact OD1-N 3.11Å; D331-V335 VanDerWaalsContact OD1-O 3.1Å; R333-V335 HydrophobicContact CB-CG2 4.18Å; R333-V335 PolarHBondContact O-N 2.95Å; V335-W349 HydrophobicContact CB-CH2 4.35Å; V335-W349 HydrophobicContact CG1-CH2 4.21Å; V335-P372 HydrophobicContact CG1-CB 4.35Å; V335-P372 HydrophobicContact CG1-CG 3.85Å; V335-Y380 HydrophobicContact CB-CD1 4.35Å; V335-Y380 HydrophobicContact CB-CD2 4.27Å; V335-Y380 HydrophobicContact CB-CE1 4.31Å; V335-Y380 HydrophobicContact CB-CE2 4.22Å; V335-Y380 HydrophobicContact CB-CG 4.33Å; V335-Y380 HydrophobicContact CG1-CD1 4.11Å; V335-Y380 HydrophobicContact CG1-CE1 4.48Å; V335-Y380 HydrophobicContact CG1-CG 4.11Å; V335-Y380 HydrophobicContact CG2-CD2 4.1Å; V335-Y380 HydrophobicContact CG2-CE2 4.17Å |
| 336 | I | 94.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | trans | -78 | 126.9 | 171.4 | -53.7 | 178.3 | 0 | 0 | 0 | 107.3 | A328 L330 L341 N345 W349 Y380 | A328-I336 HydrophobicContact CB-CD1 4.47Å; A328-I336 WeakPolarHBondContact O-CG1 3.37Å; L330-I336 HydrophobicContact CD2-CG1 3.72Å; I336-L341 HydrophobicContact CB-CD2 3.83Å; I336-L341 HydrophobicContact CB-CG 4.4Å; I336-L341 HydrophobicContact CD1-CD2 4.29Å; I336-L341 HydrophobicContact CG2-CD2 3.89Å; I336-L341 HydrophobicContact CG2-CG 4.13Å; I336-N345 HydrophobicContact CD1-CB 4.08Å; I336-W349 HydrophobicContact CD1-CB 4.31Å; I336-W349 HydrophobicContact CD1-CD2 4.45Å; I336-W349 HydrophobicContact CD1-CE3 3.93Å; I336-W349 HydrophobicContact CG1-CE3 4.05Å; I336-W349 HydrophobicContact CG1-CZ3 4.43Å; I336-Y380 WeakPolarHBondContact O-CE2 3.37Å; I336-Y380 PolarHBondContact O-OH 3.25Å | ||
| 337 | P | 93.7 | Very high | 91.1 | Very high | 47 Ų | 47 | 57.2 Ų | 57.2 | 31% | 0.305 | 29% | 0.285 | S | S | . | . | trans | -56.6 | 141.4 | 174.5 | -25.9 | 35 | 0 | 0 | 0 | 111.8 | Q329 D331 D339 S340 L341 | Q329-P337 WeakPolarHBondContact O-CD 3.3Å; D331-P337 HydrophobicContact CB-CG 4.12Å; P337-D339 VanDerWaalsContact C-N 3.27Å; P337-D339 PolarHBondContact O-N 3.24Å; P337-S340 WeakPolarHBondContact O-CA 3.48Å; P337-S340 PolarHBondContact O-N 3.25Å; P337-L341 PolarHBondContact O-N 3.11Å | ||
| 338 | E | 87.8 | Confident | 92 | Very high | 104 Ų | 104 | 54.3 Ų | 54.3 | 49% | 0.486 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -55.9 | -39.4 | -174.4 | -69.1 | -178.5 | -165.6 | 0 | 0 | 113.1 | S340 L341 Y380 | E338-S340 PolarHBondContact O-N 3.4Å; E338-L341 PolarHBondContact O-N 3.11Å; E338-Y380 HydrophobicContact CG-CE2 4.25Å |
| 339 | D | 88.3 | Confident | 92.9 | Very high | 170 Ų | 170 | 54.1 Ų | 54.1 | 91% | 0.909 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -68.9 | -17.3 | 178.8 | -63.1 | -37.1 | 0 | 0 | 0 | 113.6 | P337 | P337-D339 VanDerWaalsContact C-N 3.27Å; P337-D339 PolarHBondContact O-N 3.24Å |
| 340 | S | 92.1 | Very high | 93.3 | Very high | 50 Ų | 50 | 50.1 Ų | 50.1 | 35% | 0.35 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -104.6 | -1 | -177.8 | -60.5 | 0 | 0 | 0 | 0 | 112.8 | P337 E338 T342 N345 | P337-S340 WeakPolarHBondContact O-CA 3.48Å; P337-S340 PolarHBondContact O-N 3.25Å; E338-S340 PolarHBondContact O-N 3.4Å; S340-T342 PolarHBondContact O-N 2.88Å; S340-N345 PolarHBondContact O-ND2 2.79Å |
| 341 | L | 94.1 | Very high | 93.7 | Very high | 21 Ų | 21 | 49 Ų | 49 | 11% | 0.11 | 25% | 0.247 | C | C | . | . | trans | -66.3 | 130.2 | -178.9 | -81.5 | 165.9 | 0 | 0 | 0 | 111.6 | I336 P337 E338 V346 Y380 Y384 I411 | I336-L341 HydrophobicContact CB-CD2 3.83Å; I336-L341 HydrophobicContact CB-CG 4.4Å; I336-L341 HydrophobicContact CD1-CD2 4.29Å; I336-L341 HydrophobicContact CG2-CD2 3.89Å; I336-L341 HydrophobicContact CG2-CG 4.13Å; P337-L341 PolarHBondContact O-N 3.11Å; E338-L341 PolarHBondContact O-N 3.11Å; L341-V346 HydrophobicContact CD2-CB 4.48Å; L341-Y380 WeakPolarHBondContact CD1-OH 3.34Å; L341-Y384 HydrophobicContact CD1-CD2 3.46Å; L341-Y384 VanDerWaalsContact CD1-CD2 3.46Å; L341-Y384 HydrophobicContact CD1-CE2 3.3Å; L341-Y384 HydrophobicContact CD1-CG 4.4Å; L341-I411 HydrophobicContact CB-CD1 4.47Å; L341-I411 HydrophobicContact CD1-CG2 4.41Å; L341-I411 HydrophobicContact CD2-CG2 4.2Å | ||
| 342 | T | 95.3 | Very high | 94 | Very high | 54 Ų | 54 | 46.6 Ų | 46.6 | 33% | 0.331 | 23% | 0.234 | S | C | . | . | trans | -135.3 | 159.9 | 174.2 | 58.1 | 0 | 0 | 0 | 0 | 109 | S340 E344 N345 V346 | S340-T342 PolarHBondContact O-N 2.88Å; T342-E344 WeakPolarHBondContact CB-OE2 3.24Å; T342-E344 PolarHBondContact O-N 3.26Å; T342-N345 PolarHBondContact N-OD1 3.06Å; T342-N345 PolarHBondContact O-OD1 3.31Å; T342-N345 PolarHBondContact OG1-N 3.22Å; T342-N345 PolarHBondContact OG1-ND2 3.26Å; T342-N345 VanDerWaalsContact OG1-ND2 3.17Å; T342-N345 PolarHBondContact OG1-OD1 3.41Å; T342-V346 VanDerWaalsContact O-CG1 3.3Å; T342-V346 WeakPolarHBondContact O-CG1 3.23Å; T342-V346 PolarHBondContact O-N 2.85Å | ||
| 343 | C | 96.3 | Very high | 94.3 | Very high | 9 Ų | 9 | 38.3 Ų | 38.3 | 6% | 0.061 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.3 | -35.3 | 176.2 | -66.1 | 0 | 0 | 0 | 0 | 111.4 | V300 V346 L347 T407 F410 | V300-C343 HydrophobicContact CG2-CB 3.54Å; C343-V346 WeakPolarHBondContact O-CG1 3.45Å; C343-L347 WeakPolarHBondContact O-CB 3.3Å; C343-L347 PolarHBondContact O-N 3.4Å; C343-T407 VanDerWaalsContact SG-CG2 3.55Å; C343-F410 HydrophobicContact CB-CD1 3.67Å; C343-F410 HydrophobicContact CB-CE1 3.68Å; C343-F410 WeakPolarHBondContact SG-CD1 3.31Å |
| 344 | E | 96.1 | Very high | 94.7 | Very high | 28 Ų | 28 | 31.7 Ų | 31.7 | 13% | 0.131 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -71.5 | -48.2 | -176.9 | -63.1 | 82.5 | 171 | 0 | 0 | 112.4 | I292 L295 H296 V300 T342 Y348 | I292-E344 HydrophobicContact CG2-CB 3.93Å; L295-E344 HydrophobicContact CB-CB 3.89Å; L295-E344 HydrophobicContact CB-CG 3.77Å; L295-E344 HydrophobicContact CD1-CB 4.35Å; L295-E344 WeakPolarHBondContact CD1-O 3.15Å; H296-E344 WeakPolarHBondContact CA-OE1 3.12Å; H296-E344 HydrophobicContact CB-CG 4.05Å; H296-E344 IonicContact CE1-OE1 2.74Å; H296-E344 IonicContact CG-OE1 2.81Å; H296-E344 IonicContact ND1-OE1 3.12Å; H296-E344 PolarHBondContact ND1-OE1 3.25Å; V300-E344 HydrophobicContact CG2-CG 3.95Å; T342-E344 WeakPolarHBondContact CB-OE2 3.24Å; T342-E344 PolarHBondContact O-N 3.26Å; E344-Y348 VanDerWaalsContact O-CB 3.31Å; E344-Y348 WeakPolarHBondContact O-CB 3.39Å; E344-Y348 PolarHBondContact O-N 3.19Å |
| 345 | N | 95.8 | Very high | 94.8 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -71.9 | -36.1 | -176.6 | 67.1 | 12.7 | 0 | 0 | 0 | 112.4 | I292 I336 S340 T342 Y348 W349 | I292-N345 HydrophobicContact CD1-CB 4.44Å; I336-N345 HydrophobicContact CD1-CB 4.08Å; S340-N345 PolarHBondContact O-ND2 2.79Å; T342-N345 PolarHBondContact N-OD1 3.06Å; T342-N345 PolarHBondContact O-OD1 3.31Å; T342-N345 PolarHBondContact OG1-N 3.22Å; T342-N345 PolarHBondContact OG1-ND2 3.26Å; T342-N345 VanDerWaalsContact OG1-ND2 3.17Å; T342-N345 PolarHBondContact OG1-OD1 3.41Å; N345-Y348 PolarHBondContact O-N 2.9Å; N345-W349 WeakPolarHBondContact O-CB 3.32Å; N345-W349 PolarHBondContact O-N 2.87Å |
| 346 | V | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.1 | -38.4 | 176.6 | 75.1 | 0 | 0 | 0 | 0 | 111.3 | L341 T342 C343 W349 R350 I411 Q414 L415 | L341-V346 HydrophobicContact CD2-CB 4.48Å; T342-V346 VanDerWaalsContact O-CG1 3.3Å; T342-V346 WeakPolarHBondContact O-CG1 3.23Å; T342-V346 PolarHBondContact O-N 2.85Å; C343-V346 WeakPolarHBondContact O-CG1 3.45Å; V346-W349 PolarHBondContact O-N 3.4Å; V346-R350 WeakPolarHBondContact O-CB 3.43Å; V346-R350 PolarHBondContact O-N 3.31Å; V346-I411 HydrophobicContact CG1-CB 4.4Å; V346-I411 HydrophobicContact CG1-CG1 4.13Å; V346-I411 HydrophobicContact CG1-CG2 4.26Å; V346-I411 HydrophobicContact CG2-CG2 4.41Å; V346-Q414 HydrophobicContact CB-CB 4.33Å; V346-Q414 HydrophobicContact CG1-CB 3.74Å; V346-Q414 HydrophobicContact CG1-CG 3.82Å; V346-Q414 HydrophobicContact CG2-CB 3.72Å; V346-L415 HydrophobicContact CG2-CD2 3.53Å; V346-L415 HydrophobicContact CG2-CG 3.88Å |
| 347 | L | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.5 | -38.7 | 175.3 | -172.7 | 68.1 | 0 | 0 | 0 | 111.4 | V300 A304 A307 M308 C343 S351 F410 Q414 | V300-L347 HydrophobicContact CB-CD2 3.76Å; V300-L347 HydrophobicContact CG1-CD2 3.78Å; A304-L347 HydrophobicContact CB-CD1 4.44Å; A304-L347 HydrophobicContact CB-CD2 4.44Å; A307-L347 HydrophobicContact CB-CD2 3.69Å; M308-L347 HydrophobicContact CG-CD1 3.69Å; M308-L347 HydrophobicContact CG-CG 4.25Å; M308-L347 HydrophobicContact SD-CD1 4.11Å; C343-L347 WeakPolarHBondContact O-CB 3.3Å; C343-L347 PolarHBondContact O-N 3.4Å; L347-S351 VanDerWaalsContact O-CB 3.27Å; L347-S351 WeakPolarHBondContact O-CB 3.29Å; L347-S351 PolarHBondContact O-N 2.64Å; L347-S351 PolarHBondContact O-OG 2.9Å; L347-F410 HydrophobicContact CD1-CZ 4.47Å; L347-Q414 HydrophobicContact CD1-CG 4.36Å |
| 348 | Y | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.7 | -50.4 | 171.5 | 178.7 | -85.9 | 0 | 0 | 0 | 110.8 | V291 I292 L295 L311 F315 R327 A328 E344 N345 S351 L352 | V291-Y348 HydrophobicContact CB-CE2 4.26Å; V291-Y348 HydrophobicContact CG1-CD2 3.92Å; V291-Y348 HydrophobicContact CG1-CE2 3.9Å; I292-Y348 HydrophobicContact CD1-CD1 4.42Å; I292-Y348 HydrophobicContact CD1-CD2 4.04Å; I292-Y348 HydrophobicContact CD1-CG 3.8Å; L295-Y348 HydrophobicContact CD1-CD2 4.5Å; L311-Y348 HydrophobicContact CD2-CD2 3.69Å; L311-Y348 HydrophobicContact CD2-CE2 4.19Å; F315-Y348 HydrophobicContact CE1-CD2 4.43Å; F315-Y348 AromaticContact CE1-CE2 3.63Å; F315-Y348 HydrophobicContact CE1-CE2 3.63Å; F315-Y348 AromaticContact CE1-CZ 3.91Å; F315-Y348 HydrophobicContact CZ-CD2 4.14Å; F315-Y348 AromaticContact CZ-CE2 3.74Å; F315-Y348 HydrophobicContact CZ-CE2 3.74Å; R327-Y348 HydrophobicContact CB-CE1 3.89Å; R327-Y348 WeakPolarHBondContact CD-OH 3.36Å; A328-Y348 HydrophobicContact CB-CD1 4.05Å; A328-Y348 HydrophobicContact CB-CE1 4.43Å; E344-Y348 VanDerWaalsContact O-CB 3.31Å; E344-Y348 WeakPolarHBondContact O-CB 3.39Å; E344-Y348 PolarHBondContact O-N 3.19Å; N345-Y348 PolarHBondContact O-N 2.9Å; Y348-S351 PolarHBondContact O-N 2.87Å; Y348-L352 HydrophobicContact CE1-CB 4.45Å; Y348-L352 HydrophobicContact CE1-CD2 3.97Å; Y348-L352 WeakPolarHBondContact O-CB 3.45Å; Y348-L352 PolarHBondContact O-N 3.28Å |
| 349 | W | 96.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.9 | -51.1 | -179.9 | -176.8 | 28.7 | 0 | 0 | 0 | 111.4 | A328 L330 K334 V335 I336 N345 V346 S351 L352 C353 V370 L371 Y377 Y380 L415 L418 | A328-W349 HydrophobicContact CB-CB 4.13Å; L330-W349 HydrophobicContact CD2-CD2 4.07Å; L330-W349 HydrophobicContact CD2-CG 4.33Å; L330-W349 HydrophobicContact CD2-CZ2 4.2Å; K334-W349 WeakPolarHBondContact O-CZ2 3.14Å; V335-W349 HydrophobicContact CB-CH2 4.35Å; V335-W349 HydrophobicContact CG1-CH2 4.21Å; I336-W349 HydrophobicContact CD1-CB 4.31Å; I336-W349 HydrophobicContact CD1-CD2 4.45Å; I336-W349 HydrophobicContact CD1-CE3 3.93Å; I336-W349 HydrophobicContact CG1-CE3 4.05Å; I336-W349 HydrophobicContact CG1-CZ3 4.43Å; N345-W349 WeakPolarHBondContact O-CB 3.32Å; N345-W349 PolarHBondContact O-N 2.87Å; V346-W349 PolarHBondContact O-N 3.4Å; W349-S351 PolarHBondContact O-N 2.95Å; W349-L352 PolarHBondContact O-N 3.4Å; W349-C353 VanDerWaalsContact CD1-SG 3.57Å; W349-C353 PolarHBondContact O-N 3.44Å; W349-C353 PolarHBondContact O-SG 3.35Å; W349-V370 PolarHBondContact NE1-O 3.22Å; W349-L371 HydrophobicContact CZ2-CD2 3.9Å; W349-Y377 HydrophobicContact CH2-CD2 4.3Å; W349-Y377 AromaticContact CH2-CE2 3.73Å; W349-Y377 HydrophobicContact CH2-CE2 3.73Å; W349-Y377 HydrophobicContact CZ2-CE2 4.45Å; W349-Y377 HydrophobicContact CZ3-CE2 4.27Å; W349-Y380 HydrophobicContact CZ3-CE1 4.36Å; W349-L415 HydrophobicContact CE3-CD2 4.26Å; W349-L415 HydrophobicContact CZ3-CD2 3.79Å; W349-L418 HydrophobicContact CD2-CD1 3.63Å; W349-L418 HydrophobicContact CE3-CD1 3.4Å; W349-L418 VanDerWaalsContact CE3-CD1 3.4Å; W349-L418 HydrophobicContact CG-CD1 4.28Å; W349-L418 HydrophobicContact CH2-CD1 4.13Å; W349-L418 HydrophobicContact CZ2-CD1 4.31Å; W349-L418 HydrophobicContact CZ3-CD1 3.67Å |
| 350 | R | 96 | Very high | 94.8 | Very high | 30 Ų | 30 | 27.5 Ų | 27.5 | 11% | 0.113 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -52.6 | -52.1 | 173.7 | -180 | -169.2 | 165.9 | 178.8 | 1.9 | 112 | V346 L352 C353 E354 H417 L418 | V346-R350 WeakPolarHBondContact O-CB 3.43Å; V346-R350 PolarHBondContact O-N 3.31Å; R350-L352 VanDerWaalsContact C-N 3.31Å; R350-L352 PolarHBondContact O-N 3.47Å; R350-C353 PolarHBondContact O-N 2.82Å; R350-E354 IonicContact CZ-OE1 2.73Å; R350-E354 IonicContact NE-OE1 2.7Å; R350-E354 PolarHBondContact NE-OE1 3.04Å; R350-E354 IonicContact NH2-OE1 3.81Å; R350-E354 PolarHBondContact NH2-OE1 2.92Å; R350-E354 VanDerWaalsContact NH2-OE1 3.12Å; R350-E354 PolarHBondContact O-N 3.49Å; R350-H417 HydrophobicContact CG-CB 4.46Å; R350-H417 VanDerWaalsContact CZ-CB 3.45Å; R350-H417 VanDerWaalsContact CZ-CD2 3.44Å; R350-H417 PolarHBondContact NH1-CD2 3.43Å; R350-H417 PolarHBondContact NH1-NE2 2.68Å; R350-L418 HydrophobicContact CB-CD2 4.27Å; R350-L418 HydrophobicContact CB-CG 4.12Å; R350-L418 HydrophobicContact CG-CG 4.4Å |
| 351 | S | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.9 | -36.8 | -176 | -60 | 0 | 0 | 0 | 0 | 112.2 | M308 L311 L347 Y348 W349 F355 | M308-S351 WeakPolarHBondContact CG-OG 3.49Å; L311-S351 WeakPolarHBondContact CD1-OG 3.47Å; L347-S351 VanDerWaalsContact O-CB 3.27Å; L347-S351 WeakPolarHBondContact O-CB 3.29Å; L347-S351 PolarHBondContact O-N 2.64Å; L347-S351 PolarHBondContact O-OG 2.9Å; Y348-S351 PolarHBondContact O-N 2.87Å; W349-S351 PolarHBondContact O-N 2.95Å; S351-F355 WeakPolarHBondContact O-CB 3.19Å; S351-F355 PolarHBondContact O-N 3.5Å |
| 352 | L | 95.9 | Very high | 93.9 | Very high | 6 Ų | 6 | 37.5 Ų | 37.5 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.9 | -49 | 175.7 | 179.1 | 62.4 | 0 | 0 | 0 | 110.4 | F315 L323 Y348 W349 R350 E354 F355 L356 V370 | F315-L352 HydrophobicContact CE1-CD1 4.37Å; F315-L352 HydrophobicContact CE2-CB 4.2Å; F315-L352 HydrophobicContact CE2-CD1 4.45Å; F315-L352 HydrophobicContact CZ-CB 4.05Å; F315-L352 HydrophobicContact CZ-CD1 4.25Å; L323-L352 HydrophobicContact CB-CD1 4.38Å; L323-L352 HydrophobicContact CD2-CD1 4.22Å; Y348-L352 HydrophobicContact CE1-CB 4.45Å; Y348-L352 HydrophobicContact CE1-CD2 3.97Å; Y348-L352 WeakPolarHBondContact O-CB 3.45Å; Y348-L352 PolarHBondContact O-N 3.28Å; W349-L352 PolarHBondContact O-N 3.4Å; R350-L352 VanDerWaalsContact C-N 3.31Å; R350-L352 PolarHBondContact O-N 3.47Å; L352-E354 PolarHBondContact O-N 2.72Å; L352-F355 PolarHBondContact O-N 3.28Å; L352-L356 HydrophobicContact CD1-CD1 4.12Å; L352-L356 HydrophobicContact CD1-CG 4.11Å; L352-L356 HydrophobicContact CG-CD1 4.03Å; L352-L356 HydrophobicContact CG-CG 4.4Å; L352-L356 VanDerWaalsContact O-CG 3.29Å; L352-L356 WeakPolarHBondContact O-CG 3.09Å; L352-L356 PolarHBondContact O-N 2.91Å; L352-V370 HydrophobicContact CD2-CG1 4.39Å |
| 353 | C | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.5 | -45.9 | 178.3 | -66.2 | 0 | 0 | 0 | 0 | 112.3 | W349 R350 F355 L356 K357 L367 L371 L418 C421 | W349-C353 VanDerWaalsContact CD1-SG 3.57Å; W349-C353 PolarHBondContact O-N 3.44Å; W349-C353 PolarHBondContact O-SG 3.35Å; R350-C353 PolarHBondContact O-N 2.82Å; C353-F355 VanDerWaalsContact C-N 3.31Å; C353-F355 PolarHBondContact O-N 3.08Å; C353-L356 PolarHBondContact O-N 3.14Å; C353-K357 WeakPolarHBondContact O-CB 3.45Å; C353-K357 PolarHBondContact O-N 3.31Å; C353-L367 HydrophobicContact CB-CD1 3.87Å; C353-L371 HydrophobicContact CB-CD1 4.3Å; C353-L371 HydrophobicContact CB-CD2 4.49Å; C353-L371 VanDerWaalsContact SG-CD2 3.52Å; C353-L418 HydrophobicContact CB-CD2 3.74Å; C353-C421 HydrophobicContact CB-CB 3.96Å |
| 354 | E | 96 | Very high | 93.2 | Very high | 53 Ų | 53 | 39.4 Ų | 39.4 | 25% | 0.248 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.8 | -39.1 | 175.4 | -74.4 | -177.1 | -170.8 | 0 | 0 | 111.8 | M308 K312 R350 L352 G358 | M308-E354 WeakPolarHBondContact CE-OE2 3.33Å; K312-E354 IonicContact NZ-OE2 2.82Å; R350-E354 IonicContact CZ-OE1 2.73Å; R350-E354 IonicContact NE-OE1 2.7Å; R350-E354 PolarHBondContact NE-OE1 3.04Å; R350-E354 IonicContact NH2-OE1 3.81Å; R350-E354 PolarHBondContact NH2-OE1 2.92Å; R350-E354 VanDerWaalsContact NH2-OE1 3.12Å; R350-E354 PolarHBondContact O-N 3.49Å; L352-E354 PolarHBondContact O-N 2.72Å; E354-G358 PolarHBondContact O-N 3.26Å |
| 355 | F | 95.1 | Very high | 92.8 | Very high | 30 Ų | 30 | 45 Ų | 45 | 13% | 0.132 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.2 | -44.9 | 177.9 | 177.5 | -99.3 | 0 | 0 | 0 | 112.4 | F315 K316 L323 S351 L352 C353 G358 K359 | F315-F355 HydrophobicContact CB-CD1 3.7Å; F315-F355 HydrophobicContact CB-CD2 4.02Å; F315-F355 HydrophobicContact CB-CE1 3.56Å; F315-F355 HydrophobicContact CB-CE2 3.91Å; F315-F355 HydrophobicContact CB-CG 3.92Å; F315-F355 HydrophobicContact CB-CZ 3.67Å; F315-F355 HydrophobicContact CD2-CB 3.87Å; F315-F355 HydrophobicContact CD2-CD1 4.13Å; F315-F355 HydrophobicContact CD2-CD2 4.37Å; F315-F355 AromaticContact CD2-CG 3.87Å; F315-F355 HydrophobicContact CD2-CG 3.87Å; F315-F355 HydrophobicContact CE2-CB 4.48Å; F315-F355 HydrophobicContact CG-CD1 4.21Å; F315-F355 HydrophobicContact CG-CG 4.32Å; K316-F355 HydrophobicContact CG-CE2 4Å; K316-F355 HydrophobicContact CG-CZ 4.43Å; L323-F355 HydrophobicContact CD1-CE1 3.92Å; S351-F355 WeakPolarHBondContact O-CB 3.19Å; S351-F355 PolarHBondContact O-N 3.5Å; L352-F355 PolarHBondContact O-N 3.28Å; C353-F355 VanDerWaalsContact C-N 3.31Å; C353-F355 PolarHBondContact O-N 3.08Å; F355-G358 PolarHBondContact O-N 3.15Å; F355-K359 HydrophobicContact CE1-CD 4.48Å; F355-K359 VanDerWaalsContact CE1-CE 3.47Å; F355-K359 PolarHBondContact O-N 2.87Å |
| 356 | L | 93.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.1 | -46.5 | 177.1 | -67.7 | 176 | 0 | 0 | 0 | 110.8 | L352 C353 G358 K359 G363 M366 L367 V370 | L352-L356 HydrophobicContact CD1-CD1 4.12Å; L352-L356 HydrophobicContact CD1-CG 4.11Å; L352-L356 HydrophobicContact CG-CD1 4.03Å; L352-L356 HydrophobicContact CG-CG 4.4Å; L352-L356 VanDerWaalsContact O-CG 3.29Å; L352-L356 WeakPolarHBondContact O-CG 3.09Å; L352-L356 PolarHBondContact O-N 2.91Å; C353-L356 PolarHBondContact O-N 3.14Å; L356-G358 PolarHBondContact O-N 3.13Å; L356-K359 WeakPolarHBondContact O-CB 3.24Å; L356-K359 PolarHBondContact O-N 3.3Å; L356-G363 WeakPolarHBondContact O-CA 3.46Å; L356-M366 HydrophobicContact CD1-CB 4.07Å; L356-M366 HydrophobicContact CD2-CB 3.94Å; L356-M366 HydrophobicContact CD2-CE 3.83Å; L356-M366 HydrophobicContact CD2-SD 3.93Å; L356-L367 HydrophobicContact CB-CD1 4.24Å; L356-V370 HydrophobicContact CD1-CG2 3.76Å |
| 357 | K | 93.3 | Very high | 92.3 | Very high | 103 Ų | 103 | 46.9 Ų | 46.9 | 45% | 0.448 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57.6 | -36.6 | 174 | -175.6 | 164.1 | -176.5 | 160.9 | 0 | 112.4 | C353 K359 G360 L367 G420 | C353-K357 WeakPolarHBondContact O-CB 3.45Å; C353-K357 PolarHBondContact O-N 3.31Å; K357-K359 PolarHBondContact O-N 3.49Å; K357-G360 PolarHBondContact O-N 2.84Å; K357-L367 HydrophobicContact CB-CD2 4.22Å; K357-G420 PolarHBondContact NZ-O 3.24Å |
| 358 | G | 93.3 | Very high | 91.9 | Very high | 68 Ų | 68 | 53 Ų | 53 | 70% | 0.701 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -15 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | E354 F355 L356 G360 | E354-G358 PolarHBondContact O-N 3.26Å; F355-G358 PolarHBondContact O-N 3.15Å; L356-G358 PolarHBondContact O-N 3.13Å; G358-G360 VanDerWaalsContact C-N 3.28Å |
| 359 | K | 89.8 | Confident | 91.5 | Very high | 84 Ų | 84 | 57.7 Ų | 57.7 | 37% | 0.365 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -6.2 | 173.4 | -69.9 | -173.8 | 171.8 | -179.7 | 0 | 113.6 | F355 L356 K357 M366 | F355-K359 HydrophobicContact CE1-CD 4.48Å; F355-K359 VanDerWaalsContact CE1-CE 3.47Å; F355-K359 PolarHBondContact O-N 2.87Å; L356-K359 WeakPolarHBondContact O-CB 3.24Å; L356-K359 PolarHBondContact O-N 3.3Å; K357-K359 PolarHBondContact O-N 3.49Å; K359-M366 HydrophobicContact CD-CE 4.08Å |
| 360 | G | 88.8 | Confident | 91.3 | Very high | 37 Ų | 37 | 58.2 Ų | 58.2 | 38% | 0.381 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | -143.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K357 G358 D362 G363 E364 | K357-G360 PolarHBondContact O-N 2.84Å; G358-G360 VanDerWaalsContact C-N 3.28Å; G360-D362 VanDerWaalsContact C-N 3.26Å; G360-D362 PolarHBondContact O-N 3.37Å; G360-G363 WeakPolarHBondContact O-CA 3.15Å; G360-G363 PolarHBondContact O-N 3.42Å; G360-E364 PolarHBondContact O-N 2.88Å |
| 361 | D | 84.6 | Confident | 91.1 | Very high | 143 Ų | 143 | 57.3 Ų | 57.3 | 77% | 0.765 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -53.2 | -39.9 | -175.3 | -54.5 | -4.5 | 0 | 0 | 0 | 112.9 | G363 E364 | D361-G363 PolarHBondContact O-N 2.82Å; D361-G363 VanDerWaalsContact O-N 3.16Å; D361-E364 PolarHBondContact O-N 2.94Å |
| 362 | D | 83.2 | Confident | 90.9 | Very high | 139 Ų | 139 | 57.9 Ų | 57.9 | 74% | 0.743 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62.4 | -23.6 | 177.7 | -70.2 | -18.1 | 0 | 0 | 0 | 112.8 | G360 M366 | G360-D362 VanDerWaalsContact C-N 3.26Å; G360-D362 PolarHBondContact O-N 3.37Å; D362-M366 VanDerWaalsContact O-CE 3.31Å; D362-M366 WeakPolarHBondContact O-CE 3.26Å |
| 363 | G | 87.8 | Confident | 90.8 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -94 | -15.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | L356 G360 D361 M366 L367 | L356-G363 WeakPolarHBondContact O-CA 3.46Å; G360-G363 WeakPolarHBondContact O-CA 3.15Å; G360-G363 PolarHBondContact O-N 3.42Å; D361-G363 PolarHBondContact O-N 2.82Å; D361-G363 VanDerWaalsContact O-N 3.16Å; G363-M366 PolarHBondContact O-N 2.7Å; G363-L367 WeakPolarHBondContact O-CB 3.38Å; G363-L367 PolarHBondContact O-N 3Å |
| 364 | E | 88.8 | Confident | 90.7 | Very high | 103 Ų | 103 | 61.5 Ų | 61.5 | 48% | 0.481 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.3 | -45.7 | -172.8 | -167.9 | 166.4 | -152.4 | 0 | 0 | 111.8 | G360 D361 M366 L367 E368 | G360-E364 PolarHBondContact O-N 2.88Å; D361-E364 PolarHBondContact O-N 2.94Å; E364-M366 VanDerWaalsContact C-N 3.28Å; E364-M366 PolarHBondContact O-N 3.2Å; E364-L367 WeakPolarHBondContact O-CB 3.17Å; E364-L367 PolarHBondContact O-N 2.72Å; E364-E368 PolarHBondContact O-N 2.91Å |
| 365 | E | 87.8 | Confident | 90.6 | Very high | 145 Ų | 145 | 60.4 Ų | 60.4 | 68% | 0.678 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61.3 | -35.9 | 176 | -174.8 | -178.3 | -176.5 | 0 | 0 | 112.4 | Q369 | E365-Q369 PolarHBondContact O-NE2 3.17Å |
| 366 | M | 89.1 | Confident | 90.6 | Very high | 23 Ų | 23 | 61.7 Ų | 61.7 | 11% | 0.113 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -71.5 | -35.8 | 175.2 | -71.6 | -171 | -77 | 0 | 0 | 111.6 | A320 L324 L356 K359 D362 G363 E364 Q369 | A320-M366 HydrophobicContact CB-SD 4.21Å; L324-M366 HydrophobicContact CD1-CG 4.16Å; L324-M366 HydrophobicContact CD2-CB 3.94Å; L324-M366 HydrophobicContact CD2-CG 4.07Å; L324-M366 HydrophobicContact CG-CG 4.39Å; L324-M366 HydrophobicContact CG-SD 4.48Å; L356-M366 HydrophobicContact CD1-CB 4.07Å; L356-M366 HydrophobicContact CD2-CB 3.94Å; L356-M366 HydrophobicContact CD2-CE 3.83Å; L356-M366 HydrophobicContact CD2-SD 3.93Å; K359-M366 HydrophobicContact CD-CE 4.08Å; D362-M366 VanDerWaalsContact O-CE 3.31Å; D362-M366 WeakPolarHBondContact O-CE 3.26Å; G363-M366 PolarHBondContact O-N 2.7Å; E364-M366 VanDerWaalsContact C-N 3.28Å; E364-M366 PolarHBondContact O-N 3.2Å; M366-Q369 WeakPolarHBondContact O-CB 3.22Å; M366-Q369 PolarHBondContact O-N 3.39Å |
| 367 | L | 91.4 | Very high | 90.7 | Very high | 21 Ų | 21 | 61.7 Ų | 61.7 | 11% | 0.11 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.6 | -39.7 | -179.6 | -169.8 | 64.7 | 0 | 0 | 0 | 111.2 | C353 L356 K357 G363 E364 Q369 V370 L371 | C353-L367 HydrophobicContact CB-CD1 3.87Å; L356-L367 HydrophobicContact CB-CD1 4.24Å; K357-L367 HydrophobicContact CB-CD2 4.22Å; G363-L367 WeakPolarHBondContact O-CB 3.38Å; G363-L367 PolarHBondContact O-N 3Å; E364-L367 WeakPolarHBondContact O-CB 3.17Å; E364-L367 PolarHBondContact O-N 2.72Å; L367-Q369 PolarHBondContact O-N 3.42Å; L367-V370 HydrophobicContact CD1-CG2 4.26Å; L367-V370 WeakPolarHBondContact O-CG2 3.29Å; L367-V370 PolarHBondContact O-N 2.86Å; L367-V370 VanDerWaalsContact O-N 3.09Å; L367-L371 HydrophobicContact CD1-CD1 3.5Å; L367-L371 VanDerWaalsContact CD1-CD1 3.5Å; L367-L371 HydrophobicContact CD1-CG 4.03Å; L367-L371 HydrophobicContact CD2-CD1 4.23Å; L367-L371 HydrophobicContact CG-CD1 3.74Å; L367-L371 HydrophobicContact CG-CG 4.4Å; L367-L371 PolarHBondContact O-N 2.79Å |
| 368 | E | 89.2 | Confident | 90.8 | Very high | 128 Ų | 128 | 56.8 Ų | 56.8 | 60% | 0.598 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -58.3 | -26.6 | 173.8 | -71.6 | -175.9 | -175.5 | 0 | 0 | 113 | K334 E364 | K334-E368 WeakPolarHBondContact CE-O 3.35Å; K334-E368 PolarHBondContact NZ-O 3.19Å; E364-E368 PolarHBondContact O-N 2.91Å |
| 369 | Q | 89.1 | Confident | 90.9 | Very high | 99 Ų | 99 | 57.4 Ų | 57.4 | 46% | 0.463 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -79.9 | -24.1 | 179.3 | -65.3 | 175.9 | 47.3 | 0 | 0 | 113 | L324 E365 M366 L367 | L324-Q369 HydrophobicContact CD2-CB 4.4Å; E365-Q369 PolarHBondContact O-NE2 3.17Å; M366-Q369 WeakPolarHBondContact O-CB 3.22Å; M366-Q369 PolarHBondContact O-N 3.39Å; L367-Q369 PolarHBondContact O-N 3.42Å |
| 370 | V | 91.8 | Very high | 91.2 | Very high | 11 Ų | 11 | 54.7 Ų | 54.7 | 7% | 0.067 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -113.7 | -2.2 | -173.4 | -57.7 | 0 | 0 | 0 | 0 | 113.6 | L324 L330 W349 L352 L356 L367 | L324-V370 HydrophobicContact CD2-CG1 4.23Å; L330-V370 HydrophobicContact CD1-CB 4.18Å; W349-V370 PolarHBondContact NE1-O 3.22Å; L352-V370 HydrophobicContact CD2-CG1 4.39Å; L356-V370 HydrophobicContact CD1-CG2 3.76Å; L367-V370 HydrophobicContact CD1-CG2 4.26Å; L367-V370 WeakPolarHBondContact O-CG2 3.29Å; L367-V370 PolarHBondContact O-N 2.86Å; L367-V370 VanDerWaalsContact O-N 3.09Å |
| 371 | L | 91.8 | Very high | 91.5 | Very high | 10 Ų | 10 | 53 Ų | 53 | 5% | 0.052 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -122.9 | 141.4 | 174.2 | -75.7 | -179.6 | 0 | 0 | 0 | 112 | K334 W349 C353 L367 L418 C421 | K334-L371 WeakPolarHBondContact CD-O 3.4Å; W349-L371 HydrophobicContact CZ2-CD2 3.9Å; C353-L371 HydrophobicContact CB-CD1 4.3Å; C353-L371 HydrophobicContact CB-CD2 4.49Å; C353-L371 VanDerWaalsContact SG-CD2 3.52Å; L367-L371 HydrophobicContact CD1-CD1 3.5Å; L367-L371 VanDerWaalsContact CD1-CD1 3.5Å; L367-L371 HydrophobicContact CD1-CG 4.03Å; L367-L371 HydrophobicContact CD2-CD1 4.23Å; L367-L371 HydrophobicContact CG-CD1 3.74Å; L367-L371 HydrophobicContact CG-CG 4.4Å; L367-L371 PolarHBondContact O-N 2.79Å; L371-L418 HydrophobicContact CD2-CD2 4.17Å; L371-C421 HydrophobicContact CD1-CB 3.72Å |
| 372 | P | 93.6 | Very high | 92 | Very high | 13 Ų | 13 | 48 Ų | 48 | 8% | 0.084 | 25% | 0.247 | C | C | . | . | trans | -71.1 | 169.1 | 166.1 | 31.2 | -34.7 | 0 | 0 | 0 | 111.5 | R333 K334 V335 Y377 | R333-P372 WeakPolarHBondContact O-CB 3.34Å; K334-P372 WeakPolarHBondContact O-CD 3.49Å; V335-P372 HydrophobicContact CG1-CB 4.35Å; V335-P372 HydrophobicContact CG1-CG 3.85Å; P372-Y377 HydrophobicContact CG-CD2 3.68Å; P372-Y377 HydrophobicContact CG-CG 4.27Å | ||
| 373 | D | 92.3 | Very high | 92.5 | Very high | 79 Ų | 79 | 42.8 Ų | 42.8 | 42% | 0.422 | 23% | 0.226 | S | C | . | . | trans | -63.8 | 156.3 | 166.4 | 70.5 | 88.6 | 0 | 0 | 0 | 111.3 | A375 S376 Y377 | D373-A375 VanDerWaalsContact C-N 3.29Å; D373-A375 PolarHBondContact O-N 3.11Å; D373-A375 WeakPolarHBondContact OD1-CB 3.47Å; D373-A375 PolarHBondContact OD1-N 2.97Å; D373-A375 VanDerWaalsContact OD1-N 3.08Å; D373-S376 VanDerWaalsContact CG-OG 3.29Å; D373-S376 PolarHBondContact O-N 3.48Å; D373-S376 PolarHBondContact OD1-N 3.43Å; D373-S376 PolarHBondContact OD1-OG 3.21Å; D373-S376 WeakPolarHBondContact OD2-CB 3.36Å; D373-S376 PolarHBondContact OD2-OG 3.28Å; D373-Y377 WeakPolarHBondContact O-CB 3.44Å; D373-Y377 PolarHBondContact O-N 2.99Å | ||
| 374 | A | 94.5 | Very high | 92.8 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 3% | 0.025 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.9 | -30.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | G378 L422 V433 | A374-G378 PolarHBondContact O-N 3.4Å; A374-L422 HydrophobicContact CB-CB 4.36Å; A374-L422 HydrophobicContact CB-CD1 4.28Å; A374-V433 HydrophobicContact CB-CG2 4.24Å; A374-V433 WeakPolarHBondContact O-CG2 3.42Å |
| 375 | A | 94 | Very high | 93 | Very high | 30 Ų | 30 | 39 Ų | 39 | 25% | 0.248 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71.4 | -50.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | D373 Y377 G378 D379 R432 | D373-A375 VanDerWaalsContact C-N 3.29Å; D373-A375 PolarHBondContact O-N 3.11Å; D373-A375 WeakPolarHBondContact OD1-CB 3.47Å; D373-A375 PolarHBondContact OD1-N 2.97Å; D373-A375 VanDerWaalsContact OD1-N 3.08Å; A375-Y377 VanDerWaalsContact C-N 3.28Å; A375-Y377 PolarHBondContact O-N 2.8Å; A375-G378 PolarHBondContact O-N 3.3Å; A375-G378 VanDerWaalsContact O-N 3.09Å; A375-D379 PolarHBondContact O-N 3.19Å; A375-D379 VanDerWaalsContact O-N 3.14Å; A375-R432 HydrophobicContact CB-CB 4.31Å; A375-R432 HydrophobicContact CB-CG 4.43Å |
| 376 | S | 94.3 | Very high | 93.2 | Very high | 56 Ų | 56 | 38.3 Ų | 38.3 | 39% | 0.392 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59.2 | -39.7 | 176 | -61.5 | 0 | 0 | 0 | 0 | 111.8 | D373 D379 Y380 | D373-S376 VanDerWaalsContact CG-OG 3.29Å; D373-S376 PolarHBondContact O-N 3.48Å; D373-S376 PolarHBondContact OD1-N 3.43Å; D373-S376 PolarHBondContact OD1-OG 3.21Å; D373-S376 WeakPolarHBondContact OD2-CB 3.36Å; D373-S376 PolarHBondContact OD2-OG 3.28Å; S376-D379 PolarHBondContact O-N 3.09Å; S376-Y380 PolarHBondContact O-N 3.23Å; S376-Y380 VanDerWaalsContact O-N 3.13Å |
| 377 | Y | 96 | Very high | 93.2 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.8 | -42.7 | 174.1 | -168.5 | -99.6 | 0 | 0 | 0 | 112.5 | W349 P372 D373 A375 D379 Y380 L381 L415 L418 I419 L422 | W349-Y377 HydrophobicContact CH2-CD2 4.3Å; W349-Y377 AromaticContact CH2-CE2 3.73Å; W349-Y377 HydrophobicContact CH2-CE2 3.73Å; W349-Y377 HydrophobicContact CZ2-CE2 4.45Å; W349-Y377 HydrophobicContact CZ3-CE2 4.27Å; P372-Y377 HydrophobicContact CG-CD2 3.68Å; P372-Y377 HydrophobicContact CG-CG 4.27Å; D373-Y377 WeakPolarHBondContact O-CB 3.44Å; D373-Y377 PolarHBondContact O-N 2.99Å; A375-Y377 VanDerWaalsContact C-N 3.28Å; A375-Y377 PolarHBondContact O-N 2.8Å; Y377-D379 VanDerWaalsContact C-N 3.31Å; Y377-D379 PolarHBondContact O-N 2.91Å; Y377-Y380 HydrophobicContact CD2-CD1 4.47Å; Y377-Y380 HydrophobicContact CE2-CD1 4.3Å; Y377-Y380 PolarHBondContact O-N 2.85Å; Y377-L381 HydrophobicContact CD1-CB 4.49Å; Y377-L381 HydrophobicContact CE1-CB 4.27Å; Y377-L381 HydrophobicContact CE1-CD2 4.31Å; Y377-L381 WeakPolarHBondContact O-CB 3.49Å; Y377-L381 PolarHBondContact O-N 3.39Å; Y377-L415 VanDerWaalsContact OH-C 3.25Å; Y377-L415 VanDerWaalsContact OH-CA 3.29Å; Y377-L415 WeakPolarHBondContact OH-CA 3.42Å; Y377-L415 PolarHBondContact OH-O 2.96Å; Y377-L418 HydrophobicContact CE1-CB 4.49Å; Y377-L418 HydrophobicContact CE2-CB 4.45Å; Y377-L418 HydrophobicContact CE2-CD1 4.46Å; Y377-L418 VanDerWaalsContact OH-CB 3.24Å; Y377-L418 WeakPolarHBondContact OH-CB 3.17Å; Y377-I419 HydrophobicContact CE1-CG1 4.07Å; Y377-L422 HydrophobicContact CD1-CD1 3.55Å; Y377-L422 HydrophobicContact CD1-CD2 4.18Å; Y377-L422 HydrophobicContact CD1-CG 4.35Å; Y377-L422 HydrophobicContact CD2-CD2 4.34Å; Y377-L422 HydrophobicContact CE1-CD1 4.26Å; Y377-L422 HydrophobicContact CG-CD1 4.01Å; Y377-L422 HydrophobicContact CG-CD2 3.88Å |
| 378 | G | 95.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.1 | -43.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A374 A375 L381 F382 V436 | A374-G378 PolarHBondContact O-N 3.4Å; A375-G378 PolarHBondContact O-N 3.3Å; A375-G378 VanDerWaalsContact O-N 3.09Å; G378-L381 PolarHBondContact O-N 3.2Å; G378-F382 WeakPolarHBondContact O-CB 3.43Å; G378-F382 PolarHBondContact O-N 3.16Å; G378-V436 WeakPolarHBondContact O-CG2 3.35Å |
| 379 | D | 94.9 | Very high | 92.9 | Very high | 82 Ų | 82 | 35.6 Ų | 35.6 | 44% | 0.439 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.3 | -44.3 | 177.6 | -70.7 | -25.3 | 0 | 0 | 0 | 112.5 | A375 S376 Y377 F382 G383 R432 | A375-D379 PolarHBondContact O-N 3.19Å; A375-D379 VanDerWaalsContact O-N 3.14Å; S376-D379 PolarHBondContact O-N 3.09Å; Y377-D379 VanDerWaalsContact C-N 3.31Å; Y377-D379 PolarHBondContact O-N 2.91Å; D379-F382 PolarHBondContact O-N 2.88Å; D379-G383 PolarHBondContact O-N 3.04Å; D379-R432 IonicContact OD1-CZ 2.67Å; D379-R432 IonicContact OD1-NE 3.73Å; D379-R432 PolarHBondContact OD1-NE 3.04Å; D379-R432 IonicContact OD1-NH2 2.81Å; D379-R432 PolarHBondContact OD1-NH2 3.28Å |
| 380 | Y | 96.3 | Very high | 92.5 | Very high | 26 Ų | 26 | 34.6 Ų | 34.6 | 10% | 0.102 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.6 | -47 | 175.3 | 171 | -105.4 | 0 | 0 | 0 | 111.9 | V335 I336 E338 L341 W349 S376 Y377 F382 G383 Y384 L415 | V335-Y380 HydrophobicContact CB-CD1 4.35Å; V335-Y380 HydrophobicContact CB-CD2 4.27Å; V335-Y380 HydrophobicContact CB-CE1 4.31Å; V335-Y380 HydrophobicContact CB-CE2 4.22Å; V335-Y380 HydrophobicContact CB-CG 4.33Å; V335-Y380 HydrophobicContact CG1-CD1 4.11Å; V335-Y380 HydrophobicContact CG1-CE1 4.48Å; V335-Y380 HydrophobicContact CG1-CG 4.11Å; V335-Y380 HydrophobicContact CG2-CD2 4.1Å; V335-Y380 HydrophobicContact CG2-CE2 4.17Å; I336-Y380 WeakPolarHBondContact O-CE2 3.37Å; I336-Y380 PolarHBondContact O-OH 3.25Å; E338-Y380 HydrophobicContact CG-CE2 4.25Å; L341-Y380 WeakPolarHBondContact CD1-OH 3.34Å; W349-Y380 HydrophobicContact CZ3-CE1 4.36Å; S376-Y380 PolarHBondContact O-N 3.23Å; S376-Y380 VanDerWaalsContact O-N 3.13Å; Y377-Y380 HydrophobicContact CD2-CD1 4.47Å; Y377-Y380 HydrophobicContact CE2-CD1 4.3Å; Y377-Y380 PolarHBondContact O-N 2.85Å; Y380-F382 PolarHBondContact O-N 3.47Å; Y380-G383 PolarHBondContact O-N 3.18Å; Y380-Y384 PolarHBondContact O-N 3.41Å; Y380-Y384 VanDerWaalsContact O-N 3.13Å; Y380-L415 HydrophobicContact CE1-CD1 4.2Å; Y380-L415 HydrophobicContact CE1-CD2 3.97Å |
| 381 | L | 96.1 | Very high | 92 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.3 | -45.9 | 177.8 | 179.3 | 67.4 | 0 | 0 | 0 | 111.3 | Y377 G378 G383 Y384 L385 L415 I416 I419 V436 | Y377-L381 HydrophobicContact CD1-CB 4.49Å; Y377-L381 HydrophobicContact CE1-CB 4.27Å; Y377-L381 HydrophobicContact CE1-CD2 4.31Å; Y377-L381 WeakPolarHBondContact O-CB 3.49Å; Y377-L381 PolarHBondContact O-N 3.39Å; G378-L381 PolarHBondContact O-N 3.2Å; L381-G383 PolarHBondContact O-N 3.43Å; L381-Y384 PolarHBondContact O-N 3.13Å; L381-L385 HydrophobicContact CD1-CD1 3.83Å; L381-L385 HydrophobicContact CD1-CD2 4.41Å; L381-L385 HydrophobicContact CD1-CG 3.93Å; L381-L385 HydrophobicContact CD2-CD1 4.37Å; L381-L385 HydrophobicContact CG-CD1 3.78Å; L381-L385 HydrophobicContact CG-CG 4.21Å; L381-L385 WeakPolarHBondContact O-CB 3.38Å; L381-L385 VanDerWaalsContact O-CG 3.24Å; L381-L385 WeakPolarHBondContact O-CG 3.4Å; L381-L385 PolarHBondContact O-N 3.34Å; L381-L415 HydrophobicContact CD1-CB 3.68Å; L381-I416 HydrophobicContact CD1-CG1 4.17Å; L381-I419 HydrophobicContact CD2-CD1 3.75Å; L381-I419 HydrophobicContact CD2-CG1 4.21Å; L381-V436 HydrophobicContact CD2-CG1 4.43Å |
| 382 | F | 95.1 | Very high | 91.5 | Very high | 39 Ų | 39 | 38.2 Ų | 38.2 | 17% | 0.171 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.9 | -44.5 | 178.4 | -177.1 | -104.7 | 0 | 0 | 0 | 112.2 | G378 D379 Y380 Y384 K386 V436 E439 M440 | G378-F382 WeakPolarHBondContact O-CB 3.43Å; G378-F382 PolarHBondContact O-N 3.16Å; D379-F382 PolarHBondContact O-N 2.88Å; Y380-F382 PolarHBondContact O-N 3.47Å; F382-Y384 PolarHBondContact O-N 3.35Å; F382-K386 HydrophobicContact CE1-CD 4.06Å; F382-K386 HydrophobicContact CZ-CD 4.13Å; F382-K386 VanDerWaalsContact O-CB 3.27Å; F382-K386 WeakPolarHBondContact O-CB 3.34Å; F382-K386 PolarHBondContact O-N 3.25Å; F382-V436 HydrophobicContact CB-CG1 3.78Å; F382-V436 HydrophobicContact CB-CG2 4.01Å; F382-V436 HydrophobicContact CD2-CG1 4.18Å; F382-V436 HydrophobicContact CG-CG1 4.46Å; F382-E439 HydrophobicContact CE2-CB 4.07Å; F382-E439 VanDerWaalsContact CE2-OE2 3.32Å; F382-E439 WeakPolarHBondContact CE2-OE2 3.48Å; F382-M440 HydrophobicContact CD2-CG 4.19Å; F382-M440 HydrophobicContact CD2-SD 3.85Å; F382-M440 HydrophobicContact CE2-SD 4.01Å |
| 383 | G | 93.6 | Very high | 90.6 | Very high | 29 Ų | 29 | 45.5 Ų | 45.5 | 30% | 0.299 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -55.9 | -50.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D379 Y380 L381 A387 | D379-G383 PolarHBondContact O-N 3.04Å; Y380-G383 PolarHBondContact O-N 3.18Å; L381-G383 PolarHBondContact O-N 3.43Å; G383-A387 PolarHBondContact O-N 2.97Å |
| 384 | Y | 94.4 | Very high | 89.9 | Confident | 18 Ų | 18 | 50.1 Ų | 50.1 | 7% | 0.071 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.6 | -49.3 | -179.8 | -171.6 | -94.1 | 0 | 0 | 0 | 112.6 | L341 Y380 L381 F382 K386 A387 V388 I411 S412 L415 | L341-Y384 HydrophobicContact CD1-CD2 3.46Å; L341-Y384 VanDerWaalsContact CD1-CD2 3.46Å; L341-Y384 HydrophobicContact CD1-CE2 3.3Å; L341-Y384 HydrophobicContact CD1-CG 4.4Å; Y380-Y384 PolarHBondContact O-N 3.41Å; Y380-Y384 VanDerWaalsContact O-N 3.13Å; L381-Y384 PolarHBondContact O-N 3.13Å; F382-Y384 PolarHBondContact O-N 3.35Å; Y384-K386 VanDerWaalsContact C-N 3.29Å; Y384-K386 PolarHBondContact O-N 2.91Å; Y384-A387 PolarHBondContact O-N 3.29Å; Y384-V388 HydrophobicContact CE1-CG2 4.45Å; Y384-V388 PolarHBondContact O-N 2.7Å; Y384-I411 HydrophobicContact CE1-CB 4.12Å; Y384-I411 HydrophobicContact CE1-CG2 3.68Å; Y384-I411 HydrophobicContact CE2-CG2 4.32Å; Y384-I411 WeakPolarHBondContact OH-CB 3.48Å; Y384-I411 WeakPolarHBondContact OH-CD1 3.34Å; Y384-I411 WeakPolarHBondContact OH-CG2 3.22Å; Y384-S412 WeakPolarHBondContact CE1-OG 3.44Å; Y384-L415 HydrophobicContact CD1-CD1 3.77Å; Y384-L415 HydrophobicContact CE1-CD1 4.26Å; Y384-L415 HydrophobicContact CG-CD1 3.99Å |
| 385 | L | 93.1 | Very high | 89.2 | Confident | 5 Ų | 5 | 53.5 Ų | 53.5 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.3 | -36.6 | -176.9 | -68.7 | -178.8 | 0 | 0 | 0 | 112.4 | L381 A387 V388 S412 I416 M440 L450 L454 | L381-L385 HydrophobicContact CD1-CD1 3.83Å; L381-L385 HydrophobicContact CD1-CD2 4.41Å; L381-L385 HydrophobicContact CD1-CG 3.93Å; L381-L385 HydrophobicContact CD2-CD1 4.37Å; L381-L385 HydrophobicContact CG-CD1 3.78Å; L381-L385 HydrophobicContact CG-CG 4.21Å; L381-L385 WeakPolarHBondContact O-CB 3.38Å; L381-L385 VanDerWaalsContact O-CG 3.24Å; L381-L385 WeakPolarHBondContact O-CG 3.4Å; L381-L385 PolarHBondContact O-N 3.34Å; L385-A387 VanDerWaalsContact C-N 3.27Å; L385-A387 PolarHBondContact O-N 2.89Å; L385-V388 PolarHBondContact O-N 3Å; L385-S412 VanDerWaalsContact CD2-CB 3.4Å; L385-S412 WeakPolarHBondContact CD2-OG 3.46Å; L385-I416 HydrophobicContact CD1-CD1 4.39Å; L385-I416 HydrophobicContact CD1-CG1 4.26Å; L385-I416 HydrophobicContact CD2-CD1 4.17Å; L385-I416 HydrophobicContact CD2-CG1 4.44Å; L385-M440 HydrophobicContact CB-CE 3.52Å; L385-M440 HydrophobicContact CB-CG 4.39Å; L385-M440 HydrophobicContact CB-SD 3.73Å; L385-M440 HydrophobicContact CD1-CE 4.3Å; L385-M440 HydrophobicContact CD1-CG 3.87Å; L385-M440 HydrophobicContact CD1-SD 4.31Å; L385-L450 HydrophobicContact CD2-CD1 4.08Å; L385-L454 HydrophobicContact CD1-CD2 4.17Å |
| 386 | K | 91.4 | Very high | 88.4 | Confident | 132 Ų | 132 | 58 Ų | 58 | 57% | 0.574 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -69.2 | -25.6 | 176.8 | -171.3 | 178.6 | -179.9 | -179.5 | 0 | 112.9 | F382 Y384 V388 | F382-K386 HydrophobicContact CE1-CD 4.06Å; F382-K386 HydrophobicContact CZ-CD 4.13Å; F382-K386 VanDerWaalsContact O-CB 3.27Å; F382-K386 WeakPolarHBondContact O-CB 3.34Å; F382-K386 PolarHBondContact O-N 3.25Å; Y384-K386 VanDerWaalsContact C-N 3.29Å; Y384-K386 PolarHBondContact O-N 2.91Å; K386-V388 VanDerWaalsContact C-N 3.32Å |
| 387 | A | 89.8 | Confident | 87.8 | Confident | 55 Ų | 55 | 59 Ų | 59 | 46% | 0.455 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -1.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G383 Y384 L385 P389 | G383-A387 PolarHBondContact O-N 2.97Å; Y384-A387 PolarHBondContact O-N 3.29Å; L385-A387 VanDerWaalsContact C-N 3.27Å; L385-A387 PolarHBondContact O-N 2.89Å; A387-P389 WeakPolarHBondContact O-CD 3.44Å |
| 388 | V | 89.1 | Confident | 87.4 | Confident | 11 Ų | 11 | 61.9 Ų | 61.9 | 7% | 0.067 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -71.5 | 120.4 | 174.4 | -177.7 | 0 | 0 | 0 | 0 | 109 | Y384 L385 K386 K408 P447 | Y384-V388 HydrophobicContact CE1-CG2 4.45Å; Y384-V388 PolarHBondContact O-N 2.7Å; L385-V388 PolarHBondContact O-N 3Å; K386-V388 VanDerWaalsContact C-N 3.32Å; V388-K408 HydrophobicContact CG1-CB 4.29Å; V388-K408 HydrophobicContact CG2-CB 4.43Å; V388-P447 HydrophobicContact CG1-CG 4Å |
| 389 | P | 84.9 | Confident | 87 | Confident | 49 Ų | 49 | 69.8 Ų | 69.8 | 32% | 0.318 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -77.3 | 142.3 | -175.4 | 25.7 | -23.6 | 0 | 0 | 0 | 111.4 | A387 V405 | A387-P389 WeakPolarHBondContact O-CD 3.44Å; P389-V405 HydrophobicContact CG-CG2 3.75Å |
| 390 | V | 80.5 | Confident | 86.6 | Confident | 78 Ų | 78 | 71.5 Ų | 71.5 | 47% | 0.473 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -94.4 | 120.1 | 171 | -176.6 | 0 | 0 | 0 | 0 | 108.6 | Q445 | V390-Q445 HydrophobicContact CG2-CB 3.81Å; V390-Q445 HydrophobicContact CG2-CG 4.37Å; V390-Q445 WeakPolarHBondContact CG2-O 3.49Å |
| 391 | L | 81.1 | Confident | 86.2 | Confident | 18 Ų | 18 | 73.6 Ų | 73.6 | 9% | 0.094 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -83.7 | 129.3 | -180 | -56 | 178.7 | 0 | 0 | 0 | 110.9 | Q395 R396 Q401 L402 V405 | L391-Q395 HydrophobicContact CB-CB 4.04Å; L391-Q395 HydrophobicContact CD2-CB 4.08Å; L391-R396 HydrophobicContact CB-CG 3.71Å; L391-R396 HydrophobicContact CD1-CG 4.31Å; L391-R396 PolarHBondContact O-NE 3.07Å; L391-Q401 HydrophobicContact CD1-CB 4.48Å; L391-Q401 HydrophobicContact CD2-CB 4.2Å; L391-L402 HydrophobicContact CD1-CB 4.4Å; L391-L402 HydrophobicContact CD1-CD1 4.23Å; L391-V405 HydrophobicContact CD1-CB 4.09Å; L391-V405 HydrophobicContact CD1-CG2 3.81Å; L391-V405 HydrophobicContact CD2-CG2 3.85Å; L391-V405 HydrophobicContact CG-CB 4.44Å; L391-V405 HydrophobicContact CG-CG2 3.75Å |
| 392 | T | 80.6 | Confident | 85.7 | Confident | 78 Ų | 78 | 76.3 Ų | 76.3 | 48% | 0.479 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 162.7 | 162.9 | 59.7 | 0 | 0 | 0 | 0 | 110.9 | E394 Q395 R396 | T392-E394 PolarHBondContact O-N 3.14Å; T392-Q395 PolarHBondContact O-N 3.39Å; T392-Q395 VanDerWaalsContact OG1-CD 3.28Å; T392-Q395 VanDerWaalsContact OG1-CG 3.25Å; T392-Q395 WeakPolarHBondContact OG1-CG 3.33Å; T392-Q395 PolarHBondContact OG1-N 2.88Å; T392-Q395 PolarHBondContact OG1-OE1 3.46Å; T392-R396 WeakPolarHBondContact O-CG 3.4Å; T392-R396 PolarHBondContact O-N 2.93Å |
| 393 | E | 76 | Confident | 85.4 | Confident | 167 Ų | 167 | 80.1 Ų | 80.1 | 78% | 0.78 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -57.1 | -38.1 | 179.7 | -68 | -158.9 | 152.6 | 0 | 0 | 112.9 | R396 | E393-R396 PolarHBondContact O-N 3.18Å |
| 394 | E | 76.4 | Confident | 85.2 | Confident | 175 Ų | 175 | 83.2 Ų | 83.2 | 82% | 0.818 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -65.9 | -38.2 | 176.5 | -63.5 | 179.4 | 178.4 | 0 | 0 | 112 | T392 A397 | T392-E394 PolarHBondContact O-N 3.14Å; E394-A397 WeakPolarHBondContact O-CB 3.31Å; E394-A397 PolarHBondContact O-N 3.43Å |
| 395 | Q | 81.3 | Confident | 85 | Confident | 74 Ų | 74 | 82.8 Ų | 82.8 | 35% | 0.346 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -73.7 | -29.2 | 177.5 | -70.3 | 170.2 | -51.2 | 0 | 0 | 112.8 | L391 T392 A397 D398 | L391-Q395 HydrophobicContact CB-CB 4.04Å; L391-Q395 HydrophobicContact CD2-CB 4.08Å; T392-Q395 PolarHBondContact O-N 3.39Å; T392-Q395 VanDerWaalsContact OG1-CD 3.28Å; T392-Q395 VanDerWaalsContact OG1-CG 3.25Å; T392-Q395 WeakPolarHBondContact OG1-CG 3.33Å; T392-Q395 PolarHBondContact OG1-N 2.88Å; T392-Q395 PolarHBondContact OG1-OE1 3.46Å; Q395-A397 PolarHBondContact O-N 3.32Å; Q395-D398 PolarHBondContact O-N 3.36Å; Q395-D398 VanDerWaalsContact O-N 3.08Å |
| 396 | R | 76.9 | Confident | 84.9 | Confident | 126 Ų | 126 | 86.9 Ų | 86.9 | 48% | 0.475 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65 | -22.2 | 173.1 | -71.5 | -177.4 | -162.8 | -177.5 | 2 | 112.6 | L391 T392 E393 D398 | L391-R396 HydrophobicContact CB-CG 3.71Å; L391-R396 HydrophobicContact CD1-CG 4.31Å; L391-R396 PolarHBondContact O-NE 3.07Å; T392-R396 WeakPolarHBondContact O-CG 3.4Å; T392-R396 PolarHBondContact O-N 2.93Å; E393-R396 PolarHBondContact O-N 3.18Å; R396-D398 VanDerWaalsContact C-N 3.28Å |
| 397 | A | 81.9 | Confident | 85 | Confident | 77 Ų | 77 | 82.4 Ų | 82.4 | 64% | 0.636 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -19 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | E394 Q395 F399 | E394-A397 WeakPolarHBondContact O-CB 3.31Å; E394-A397 PolarHBondContact O-N 3.43Å; Q395-A397 PolarHBondContact O-N 3.32Å; A397-F399 PolarHBondContact O-N 3.17Å |
| 398 | D | 86.9 | Confident | 85.2 | Confident | 60 Ų | 60 | 82.5 Ų | 82.5 | 32% | 0.321 | 42% | 0.42 | S | S | . | . | trans | -83.5 | 105.4 | 171.3 | -175.7 | -8.7 | 0 | 0 | 0 | 110 | Q395 R396 N400 Q401 L402 | Q395-D398 PolarHBondContact O-N 3.36Å; Q395-D398 VanDerWaalsContact O-N 3.08Å; R396-D398 VanDerWaalsContact C-N 3.28Å; D398-N400 PolarHBondContact O-N 3.01Å; D398-N400 PolarHBondContact OD1-N 3.34Å; D398-Q401 HydrophobicContact CB-CB 4.2Å; D398-Q401 HydrophobicContact CB-CG 4.14Å; D398-Q401 PolarHBondContact O-N 3.14Å; D398-Q401 VanDerWaalsContact O-N 3.12Å; D398-Q401 WeakPolarHBondContact OD2-CG 3.48Å; D398-Q401 PolarHBondContact OD2-NE2 3.08Å; D398-L402 PolarHBondContact O-N 2.74Å | ||
| 399 | F | 86.1 | Confident | 85.4 | Confident | 165 Ų | 165 | 84 Ų | 84 | 72% | 0.724 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -55.3 | -34.6 | -179.5 | -73.1 | -75.3 | 0 | 0 | 0 | 113.6 | A397 L402 E403 | A397-F399 PolarHBondContact O-N 3.17Å; F399-L402 PolarHBondContact O-N 3.33Å; F399-E403 VanDerWaalsContact O-CB 3.31Å; F399-E403 WeakPolarHBondContact O-CB 3.31Å; F399-E403 PolarHBondContact O-N 3.13Å |
| 400 | N | 87.3 | Confident | 85.9 | Confident | 119 Ų | 119 | 82.2 Ų | 82.2 | 64% | 0.636 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -71 | -36.8 | -179 | -61.7 | -50.1 | 0 | 0 | 0 | 111.5 | D398 L404 | D398-N400 PolarHBondContact O-N 3.01Å; D398-N400 PolarHBondContact OD1-N 3.34Å; N400-L404 WeakPolarHBondContact O-CB 3.18Å; N400-L404 PolarHBondContact O-N 2.88Å |
| 401 | Q | 87.3 | Confident | 86.7 | Confident | 69 Ų | 69 | 78.8 Ų | 78.8 | 32% | 0.322 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -71.5 | -39.6 | 176.6 | -68 | 179.8 | 41.6 | 0 | 0 | 110.9 | L391 D398 L404 V405 | L391-Q401 HydrophobicContact CD1-CB 4.48Å; L391-Q401 HydrophobicContact CD2-CB 4.2Å; D398-Q401 HydrophobicContact CB-CB 4.2Å; D398-Q401 HydrophobicContact CB-CG 4.14Å; D398-Q401 PolarHBondContact O-N 3.14Å; D398-Q401 VanDerWaalsContact O-N 3.12Å; D398-Q401 WeakPolarHBondContact OD2-CG 3.48Å; D398-Q401 PolarHBondContact OD2-NE2 3.08Å; Q401-L404 PolarHBondContact O-N 3.47Å; Q401-V405 WeakPolarHBondContact O-CG2 3.48Å; Q401-V405 PolarHBondContact O-N 3.09Å; Q401-V405 VanDerWaalsContact O-N 3.08Å |
| 402 | L | 86.7 | Confident | 87.4 | Confident | 58 Ų | 58 | 77.9 Ų | 77.9 | 30% | 0.304 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.5 | -48.4 | 174.6 | -176.8 | 62.2 | 0 | 0 | 0 | 111.5 | L391 D398 F399 L404 V405 M406 | L391-L402 HydrophobicContact CD1-CB 4.4Å; L391-L402 HydrophobicContact CD1-CD1 4.23Å; D398-L402 PolarHBondContact O-N 2.74Å; F399-L402 PolarHBondContact O-N 3.33Å; L402-L404 PolarHBondContact O-N 3.43Å; L402-V405 PolarHBondContact O-N 3.49Å; L402-V405 VanDerWaalsContact O-N 3.17Å; L402-M406 HydrophobicContact CG-SD 4.26Å; L402-M406 WeakPolarHBondContact O-CG 3.44Å; L402-M406 PolarHBondContact O-N 3.33Å |
| 403 | E | 87.9 | Confident | 88.2 | Confident | 120 Ų | 120 | 76.9 Ų | 76.9 | 56% | 0.561 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -58.6 | -46.5 | 177.1 | -175.2 | 175.7 | -169.3 | 0 | 0 | 111.4 | F399 V405 M406 T407 | F399-E403 VanDerWaalsContact O-CB 3.31Å; F399-E403 WeakPolarHBondContact O-CB 3.31Å; F399-E403 PolarHBondContact O-N 3.13Å; E403-V405 VanDerWaalsContact C-N 3.28Å; E403-V405 PolarHBondContact O-N 3.16Å; E403-M406 PolarHBondContact O-N 2.87Å; E403-M406 VanDerWaalsContact O-N 3.15Å; E403-T407 PolarHBondContact O-N 3.19Å; E403-T407 PolarHBondContact O-OG1 2.7Å; E403-T407 VanDerWaalsContact O-OG1 3.13Å |
| 404 | L | 89.6 | Confident | 89.2 | Confident | 94 Ų | 94 | 69.1 Ų | 69.1 | 49% | 0.492 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -57.4 | -40.7 | 176 | 178.9 | 64.4 | 0 | 0 | 0 | 112.4 | N400 Q401 L402 K408 | N400-L404 WeakPolarHBondContact O-CB 3.18Å; N400-L404 PolarHBondContact O-N 2.88Å; Q401-L404 PolarHBondContact O-N 3.47Å; L402-L404 PolarHBondContact O-N 3.43Å; L404-K408 WeakPolarHBondContact O-CB 3.5Å; L404-K408 WeakPolarHBondContact O-CG 3.46Å; L404-K408 PolarHBondContact O-N 3.49Å |
| 405 | V | 90.2 | Very high | 90.2 | Very high | 9 Ų | 9 | 60.8 Ų | 60.8 | 6% | 0.055 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.6 | -41.5 | 177.3 | 170.6 | 0 | 0 | 0 | 0 | 111.5 | P389 L391 Q401 L402 E403 T407 K408 E409 | P389-V405 HydrophobicContact CG-CG2 3.75Å; L391-V405 HydrophobicContact CD1-CB 4.09Å; L391-V405 HydrophobicContact CD1-CG2 3.81Å; L391-V405 HydrophobicContact CD2-CG2 3.85Å; L391-V405 HydrophobicContact CG-CB 4.44Å; L391-V405 HydrophobicContact CG-CG2 3.75Å; Q401-V405 WeakPolarHBondContact O-CG2 3.48Å; Q401-V405 PolarHBondContact O-N 3.09Å; Q401-V405 VanDerWaalsContact O-N 3.08Å; L402-V405 PolarHBondContact O-N 3.49Å; L402-V405 VanDerWaalsContact O-N 3.17Å; E403-V405 VanDerWaalsContact C-N 3.28Å; E403-V405 PolarHBondContact O-N 3.16Å; V405-T407 PolarHBondContact O-N 2.95Å; V405-K408 PolarHBondContact O-N 3.42Å; V405-E409 HydrophobicContact CG1-CG 4.23Å; V405-E409 WeakPolarHBondContact O-CB 3.41Å; V405-E409 WeakPolarHBondContact O-CG 3.47Å; V405-E409 PolarHBondContact O-N 3.37Å |
| 406 | M | 91.3 | Very high | 91 | Very high | 90 Ų | 90 | 57.3 Ų | 57.3 | 44% | 0.443 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.7 | -45.4 | 175.6 | -69 | -179.9 | 62.3 | 0 | 0 | 111.8 | E301 L402 E403 K408 E409 F410 | E301-M406 WeakPolarHBondContact OE1-CB 3.42Å; L402-M406 HydrophobicContact CG-SD 4.26Å; L402-M406 WeakPolarHBondContact O-CG 3.44Å; L402-M406 PolarHBondContact O-N 3.33Å; E403-M406 PolarHBondContact O-N 2.87Å; E403-M406 VanDerWaalsContact O-N 3.15Å; M406-K408 PolarHBondContact O-N 3.29Å; M406-E409 PolarHBondContact O-N 2.83Å; M406-F410 PolarHBondContact O-N 3.36Å |
| 407 | T | 93.1 | Very high | 91.9 | Very high | 38 Ų | 38 | 53.2 Ų | 53.2 | 23% | 0.233 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.9 | -46.1 | 173.3 | -60.9 | 0 | 0 | 0 | 0 | 111.4 | E301 C343 E403 V405 E409 F410 I411 | E301-T407 PolarHBondContact OE1-N 3.47Å; E301-T407 PolarHBondContact OE2-OG1 2.91Å; C343-T407 VanDerWaalsContact SG-CG2 3.55Å; E403-T407 PolarHBondContact O-N 3.19Å; E403-T407 PolarHBondContact O-OG1 2.7Å; E403-T407 VanDerWaalsContact O-OG1 3.13Å; V405-T407 PolarHBondContact O-N 2.95Å; T407-E409 PolarHBondContact O-N 3.28Å; T407-F410 PolarHBondContact O-N 3.4Å; T407-I411 HydrophobicContact CG2-CD1 4.13Å; T407-I411 WeakPolarHBondContact O-CG1 3.47Å; T407-I411 PolarHBondContact O-N 3.39Å |
| 408 | K | 93.7 | Very high | 92.6 | Very high | 57 Ų | 57 | 49.6 Ų | 49.6 | 25% | 0.248 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.2 | -38.6 | 177.6 | -77.8 | -170.5 | 174.2 | -164.6 | 0 | 112.8 | V388 L404 V405 M406 I411 S412 | V388-K408 HydrophobicContact CG1-CB 4.29Å; V388-K408 HydrophobicContact CG2-CB 4.43Å; L404-K408 WeakPolarHBondContact O-CB 3.5Å; L404-K408 WeakPolarHBondContact O-CG 3.46Å; L404-K408 PolarHBondContact O-N 3.49Å; V405-K408 PolarHBondContact O-N 3.42Å; M406-K408 PolarHBondContact O-N 3.29Å; K408-I411 PolarHBondContact O-N 3.11Å; K408-S412 WeakPolarHBondContact O-CB 3.24Å; K408-S412 PolarHBondContact O-N 2.88Å; K408-S412 PolarHBondContact O-OG 3.06Å |
| 409 | E | 93.6 | Very high | 93 | Very high | 43 Ų | 43 | 47 Ų | 47 | 20% | 0.201 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.5 | -42.1 | 174 | -76.6 | -174.2 | -163.8 | 0 | 0 | 111.3 | V405 M406 T407 S412 Q413 P447 S449 | V405-E409 HydrophobicContact CG1-CG 4.23Å; V405-E409 WeakPolarHBondContact O-CB 3.41Å; V405-E409 WeakPolarHBondContact O-CG 3.47Å; V405-E409 PolarHBondContact O-N 3.37Å; M406-E409 PolarHBondContact O-N 2.83Å; T407-E409 PolarHBondContact O-N 3.28Å; E409-S412 VanDerWaalsContact O-CB 3.29Å; E409-S412 WeakPolarHBondContact O-CB 3.49Å; E409-S412 PolarHBondContact O-N 3.28Å; E409-Q413 VanDerWaalsContact O-CG 3.32Å; E409-Q413 WeakPolarHBondContact O-CG 3.32Å; E409-Q413 PolarHBondContact O-N 2.92Å; E409-P447 HydrophobicContact CG-CB 4.16Å; E409-P447 HydrophobicContact CG-CG 4.17Å; E409-P447 WeakPolarHBondContact OE1-CB 3.19Å; E409-S449 VanDerWaalsContact CD-OG 3.25Å; E409-S449 WeakPolarHBondContact OE2-CB 3.48Å; E409-S449 PolarHBondContact OE2-OG 3Å |
| 410 | F | 95.9 | Very high | 93.4 | Very high | 12 Ų | 12 | 41 Ų | 41 | 5% | 0.053 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.9 | -49.6 | 175 | 178.1 | -92.8 | 0 | 0 | 0 | 111.5 | V300 E301 A304 C343 L347 M406 T407 S412 Q413 Q414 | V300-F410 WeakPolarHBondContact O-CE2 3.25Å; V300-F410 VanDerWaalsContact O-CZ 3.31Å; V300-F410 WeakPolarHBondContact O-CZ 3.38Å; E301-F410 HydrophobicContact CB-CD2 4.48Å; E301-F410 HydrophobicContact CG-CB 4.09Å; E301-F410 HydrophobicContact CG-CD2 4.14Å; E301-F410 HydrophobicContact CG-CG 4.1Å; A304-F410 HydrophobicContact CB-CE2 3.9Å; A304-F410 HydrophobicContact CB-CZ 4.08Å; C343-F410 HydrophobicContact CB-CD1 3.67Å; C343-F410 HydrophobicContact CB-CE1 3.68Å; C343-F410 WeakPolarHBondContact SG-CD1 3.31Å; L347-F410 HydrophobicContact CD1-CZ 4.47Å; M406-F410 PolarHBondContact O-N 3.36Å; T407-F410 PolarHBondContact O-N 3.4Å; F410-S412 VanDerWaalsContact C-N 3.27Å; F410-S412 PolarHBondContact O-N 2.83Å; F410-Q413 WeakPolarHBondContact O-CB 3.3Å; F410-Q413 PolarHBondContact O-N 3.43Å; F410-Q413 VanDerWaalsContact O-N 3.15Å; F410-Q414 HydrophobicContact CD1-CG 4.1Å; F410-Q414 HydrophobicContact CE1-CG 3.65Å; F410-Q414 VanDerWaalsContact CE2-NE2 3.32Å; F410-Q414 HydrophobicContact CZ-CG 3.91Å; F410-Q414 WeakPolarHBondContact O-CG 3.41Å; F410-Q414 PolarHBondContact O-N 3.25Å |
| 411 | I | 96.8 | Very high | 93.7 | Very high | 5 Ų | 5 | 35.5 Ų | 35.5 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.7 | -43.5 | 176.5 | -66.2 | 165.3 | 0 | 0 | 0 | 110 | L341 V346 Y384 T407 K408 Q413 Q414 L415 | L341-I411 HydrophobicContact CB-CD1 4.47Å; L341-I411 HydrophobicContact CD1-CG2 4.41Å; L341-I411 HydrophobicContact CD2-CG2 4.2Å; V346-I411 HydrophobicContact CG1-CB 4.4Å; V346-I411 HydrophobicContact CG1-CG1 4.13Å; V346-I411 HydrophobicContact CG1-CG2 4.26Å; V346-I411 HydrophobicContact CG2-CG2 4.41Å; Y384-I411 HydrophobicContact CE1-CB 4.12Å; Y384-I411 HydrophobicContact CE1-CG2 3.68Å; Y384-I411 HydrophobicContact CE2-CG2 4.32Å; Y384-I411 WeakPolarHBondContact OH-CB 3.48Å; Y384-I411 WeakPolarHBondContact OH-CD1 3.34Å; Y384-I411 WeakPolarHBondContact OH-CG2 3.22Å; T407-I411 HydrophobicContact CG2-CD1 4.13Å; T407-I411 WeakPolarHBondContact O-CG1 3.47Å; T407-I411 PolarHBondContact O-N 3.39Å; K408-I411 PolarHBondContact O-N 3.11Å; I411-Q413 VanDerWaalsContact C-N 3.32Å; I411-Q413 PolarHBondContact O-N 3.18Å; I411-Q414 PolarHBondContact O-N 3.49Å; I411-Q414 VanDerWaalsContact O-N 3.14Å; I411-L415 HydrophobicContact CG2-CD1 4.05Å; I411-L415 HydrophobicContact CG2-CG 4.29Å; I411-L415 WeakPolarHBondContact O-CG 3.16Å; I411-L415 PolarHBondContact O-N 2.92Å |
| 412 | S | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.1 | -46.2 | 176 | -62 | 0 | 0 | 0 | 0 | 111.7 | Y384 L385 K408 E409 F410 Q414 L415 I416 | Y384-S412 WeakPolarHBondContact CE1-OG 3.44Å; L385-S412 VanDerWaalsContact CD2-CB 3.4Å; L385-S412 WeakPolarHBondContact CD2-OG 3.46Å; K408-S412 WeakPolarHBondContact O-CB 3.24Å; K408-S412 PolarHBondContact O-N 2.88Å; K408-S412 PolarHBondContact O-OG 3.06Å; E409-S412 VanDerWaalsContact O-CB 3.29Å; E409-S412 WeakPolarHBondContact O-CB 3.49Å; E409-S412 PolarHBondContact O-N 3.28Å; F410-S412 VanDerWaalsContact C-N 3.27Å; F410-S412 PolarHBondContact O-N 2.83Å; S412-Q414 PolarHBondContact O-N 3.1Å; S412-L415 PolarHBondContact O-N 3.09Å; S412-I416 WeakPolarHBondContact O-CD1 3.21Å; S412-I416 WeakPolarHBondContact O-CG1 3.49Å; S412-I416 PolarHBondContact O-N 2.84Å |
| 413 | Q | 96.8 | Very high | 94 | Very high | 57 Ų | 57 | 34.1 Ų | 34.1 | 27% | 0.266 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59.9 | -46 | 176.3 | -67.4 | 167.5 | 28 | 0 | 0 | 111.4 | E409 F410 I411 L415 I416 H417 L450 L453 | E409-Q413 VanDerWaalsContact O-CG 3.32Å; E409-Q413 WeakPolarHBondContact O-CG 3.32Å; E409-Q413 PolarHBondContact O-N 2.92Å; F410-Q413 WeakPolarHBondContact O-CB 3.3Å; F410-Q413 PolarHBondContact O-N 3.43Å; F410-Q413 VanDerWaalsContact O-N 3.15Å; I411-Q413 VanDerWaalsContact C-N 3.32Å; I411-Q413 PolarHBondContact O-N 3.18Å; Q413-L415 VanDerWaalsContact C-N 3.34Å; Q413-L415 PolarHBondContact O-N 2.98Å; Q413-I416 PolarHBondContact O-N 3.22Å; Q413-H417 PolarHBondContact O-CD2 3.17Å; Q413-H417 PolarHBondContact O-N 3.41Å; Q413-L450 HydrophobicContact CG-CD2 3.5Å; Q413-L453 HydrophobicContact CB-CD2 3.95Å; Q413-L453 HydrophobicContact CG-CD2 4.17Å |
| 414 | Q | 97.1 | Very high | 93.9 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.019 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.7 | -40.6 | 179.6 | -56 | -37 | -52.8 | 0 | 0 | 112.2 | V346 L347 F410 I411 S412 H417 L418 | V346-Q414 HydrophobicContact CB-CB 4.33Å; V346-Q414 HydrophobicContact CG1-CB 3.74Å; V346-Q414 HydrophobicContact CG1-CG 3.82Å; V346-Q414 HydrophobicContact CG2-CB 3.72Å; L347-Q414 HydrophobicContact CD1-CG 4.36Å; F410-Q414 HydrophobicContact CD1-CG 4.1Å; F410-Q414 HydrophobicContact CE1-CG 3.65Å; F410-Q414 VanDerWaalsContact CE2-NE2 3.32Å; F410-Q414 HydrophobicContact CZ-CG 3.91Å; F410-Q414 WeakPolarHBondContact O-CG 3.41Å; F410-Q414 PolarHBondContact O-N 3.25Å; I411-Q414 PolarHBondContact O-N 3.49Å; I411-Q414 VanDerWaalsContact O-N 3.14Å; S412-Q414 PolarHBondContact O-N 3.1Å; Q414-H417 PolarHBondContact O-N 3.21Å; Q414-L418 PolarHBondContact O-N 3.28Å |
| 415 | L | 97.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.5 | -39.2 | 174.5 | -65.8 | 178.2 | 0 | 0 | 0 | 112.1 | V346 W349 Y377 Y380 L381 Y384 I411 S412 Q413 H417 L418 | V346-L415 HydrophobicContact CG2-CD2 3.53Å; V346-L415 HydrophobicContact CG2-CG 3.88Å; W349-L415 HydrophobicContact CE3-CD2 4.26Å; W349-L415 HydrophobicContact CZ3-CD2 3.79Å; Y377-L415 VanDerWaalsContact OH-C 3.25Å; Y377-L415 VanDerWaalsContact OH-CA 3.29Å; Y377-L415 WeakPolarHBondContact OH-CA 3.42Å; Y377-L415 PolarHBondContact OH-O 2.96Å; Y380-L415 HydrophobicContact CE1-CD1 4.2Å; Y380-L415 HydrophobicContact CE1-CD2 3.97Å; L381-L415 HydrophobicContact CD1-CB 3.68Å; Y384-L415 HydrophobicContact CD1-CD1 3.77Å; Y384-L415 HydrophobicContact CE1-CD1 4.26Å; Y384-L415 HydrophobicContact CG-CD1 3.99Å; I411-L415 HydrophobicContact CG2-CD1 4.05Å; I411-L415 HydrophobicContact CG2-CG 4.29Å; I411-L415 WeakPolarHBondContact O-CG 3.16Å; I411-L415 PolarHBondContact O-N 2.92Å; S412-L415 PolarHBondContact O-N 3.09Å; Q413-L415 VanDerWaalsContact C-N 3.34Å; Q413-L415 PolarHBondContact O-N 2.98Å; L415-H417 VanDerWaalsContact C-N 3.31Å; L415-H417 PolarHBondContact O-N 3.39Å; L415-L418 HydrophobicContact CD2-CD1 4.26Å; L415-L418 WeakPolarHBondContact O-CB 3.28Å; L415-L418 PolarHBondContact O-N 3.28Å |
| 416 | I | 97.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.9 | -37.8 | 176 | -63.7 | 157.9 | 0 | 0 | 0 | 110.5 | L381 L385 S412 Q413 L418 I419 L450 L453 L454 K457 | L381-I416 HydrophobicContact CD1-CG1 4.17Å; L385-I416 HydrophobicContact CD1-CD1 4.39Å; L385-I416 HydrophobicContact CD1-CG1 4.26Å; L385-I416 HydrophobicContact CD2-CD1 4.17Å; L385-I416 HydrophobicContact CD2-CG1 4.44Å; S412-I416 WeakPolarHBondContact O-CD1 3.21Å; S412-I416 WeakPolarHBondContact O-CG1 3.49Å; S412-I416 PolarHBondContact O-N 2.84Å; Q413-I416 PolarHBondContact O-N 3.22Å; I416-L418 VanDerWaalsContact C-N 3.3Å; I416-L418 PolarHBondContact O-N 3.39Å; I416-I419 HydrophobicContact CG2-CD1 4.16Å; I416-I419 VanDerWaalsContact O-CB 3.3Å; I416-I419 WeakPolarHBondContact O-CB 3.28Å; I416-I419 WeakPolarHBondContact O-CD1 3.44Å; I416-I419 VanDerWaalsContact O-CG1 3.24Å; I416-I419 WeakPolarHBondContact O-CG1 3.15Å; I416-I419 PolarHBondContact O-N 3.23Å; I416-L450 HydrophobicContact CD1-CB 4.39Å; I416-L450 HydrophobicContact CD1-CD1 4.47Å; I416-L450 HydrophobicContact CD1-CD2 4.25Å; I416-L453 HydrophobicContact CB-CD2 3.89Å; I416-L453 HydrophobicContact CB-CG 4.19Å; I416-L453 HydrophobicContact CD1-CD2 4.37Å; I416-L453 HydrophobicContact CG2-CD1 4.4Å; I416-L453 HydrophobicContact CG2-CD2 3.94Å; I416-L453 HydrophobicContact CG2-CG 3.65Å; I416-L454 HydrophobicContact CD1-CD2 3.6Å; I416-L454 HydrophobicContact CD1-CG 3.88Å; I416-L454 HydrophobicContact CG1-CD2 3.86Å; I416-L454 HydrophobicContact CG2-CD2 4.22Å; I416-K457 HydrophobicContact CG2-CB 4.33Å; I416-K457 HydrophobicContact CG2-CG 3.68Å |
| 417 | H | 96.9 | Very high | 93.6 | Very high | 41 Ų | 41 | 38.3 Ų | 38.3 | 19% | 0.19 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.8 | -34.8 | 177 | -78.5 | -66.5 | 0 | 0 | 0 | 113.5 | R350 Q413 Q414 L415 I419 G420 L453 | R350-H417 HydrophobicContact CG-CB 4.46Å; R350-H417 VanDerWaalsContact CZ-CB 3.45Å; R350-H417 VanDerWaalsContact CZ-CD2 3.44Å; R350-H417 PolarHBondContact NH1-CD2 3.43Å; R350-H417 PolarHBondContact NH1-NE2 2.68Å; Q413-H417 PolarHBondContact O-CD2 3.17Å; Q413-H417 PolarHBondContact O-N 3.41Å; Q414-H417 PolarHBondContact O-N 3.21Å; L415-H417 VanDerWaalsContact C-N 3.31Å; L415-H417 PolarHBondContact O-N 3.39Å; H417-I419 PolarHBondContact O-N 3.19Å; H417-I419 VanDerWaalsContact O-N 3.14Å; H417-G420 PolarHBondContact O-N 3.39Å; H417-L453 WeakPolarHBondContact CE1-CD1 3.19Å |
| 418 | L | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.4 | -21.2 | 177 | -88.6 | 172.1 | 0 | 0 | 0 | 113.9 | W349 R350 C353 L371 Y377 Q414 L415 I416 G420 C421 | W349-L418 HydrophobicContact CD2-CD1 3.63Å; W349-L418 HydrophobicContact CE3-CD1 3.4Å; W349-L418 VanDerWaalsContact CE3-CD1 3.4Å; W349-L418 HydrophobicContact CG-CD1 4.28Å; W349-L418 HydrophobicContact CH2-CD1 4.13Å; W349-L418 HydrophobicContact CZ2-CD1 4.31Å; W349-L418 HydrophobicContact CZ3-CD1 3.67Å; R350-L418 HydrophobicContact CB-CD2 4.27Å; R350-L418 HydrophobicContact CB-CG 4.12Å; R350-L418 HydrophobicContact CG-CG 4.4Å; C353-L418 HydrophobicContact CB-CD2 3.74Å; L371-L418 HydrophobicContact CD2-CD2 4.17Å; Y377-L418 HydrophobicContact CE1-CB 4.49Å; Y377-L418 HydrophobicContact CE2-CB 4.45Å; Y377-L418 HydrophobicContact CE2-CD1 4.46Å; Y377-L418 VanDerWaalsContact OH-CB 3.24Å; Y377-L418 WeakPolarHBondContact OH-CB 3.17Å; Q414-L418 PolarHBondContact O-N 3.28Å; L415-L418 HydrophobicContact CD2-CD1 4.26Å; L415-L418 WeakPolarHBondContact O-CB 3.28Å; L415-L418 PolarHBondContact O-N 3.28Å; I416-L418 VanDerWaalsContact C-N 3.3Å; I416-L418 PolarHBondContact O-N 3.39Å; L418-G420 PolarHBondContact O-N 3.32Å; L418-G420 VanDerWaalsContact O-N 3.14Å; L418-C421 WeakPolarHBondContact O-CA 3.18Å; L418-C421 WeakPolarHBondContact O-CB 3.24Å; L418-C421 PolarHBondContact O-N 3.45Å |
| 419 | I | 95.8 | Very high | 93.3 | Very high | 5 Ų | 5 | 35.9 Ų | 35.9 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -52.8 | -36.5 | 171.5 | -62.7 | 173 | 0 | 0 | 0 | 111 | Y377 L381 I416 H417 C421 L422 V433 L437 K457 L461 | Y377-I419 HydrophobicContact CE1-CG1 4.07Å; L381-I419 HydrophobicContact CD2-CD1 3.75Å; L381-I419 HydrophobicContact CD2-CG1 4.21Å; I416-I419 HydrophobicContact CG2-CD1 4.16Å; I416-I419 VanDerWaalsContact O-CB 3.3Å; I416-I419 WeakPolarHBondContact O-CB 3.28Å; I416-I419 WeakPolarHBondContact O-CD1 3.44Å; I416-I419 VanDerWaalsContact O-CG1 3.24Å; I416-I419 WeakPolarHBondContact O-CG1 3.15Å; I416-I419 PolarHBondContact O-N 3.23Å; H417-I419 PolarHBondContact O-N 3.19Å; H417-I419 VanDerWaalsContact O-N 3.14Å; I419-C421 PolarHBondContact O-N 3.37Å; I419-C421 VanDerWaalsContact O-N 3.14Å; I419-L422 HydrophobicContact CB-CD1 4.49Å; I419-L422 HydrophobicContact CG2-CD1 4.49Å; I419-L422 PolarHBondContact O-N 3.16Å; I419-V433 HydrophobicContact CD1-CG1 4.15Å; I419-V433 HydrophobicContact CG1-CG1 4.36Å; I419-V433 HydrophobicContact CG2-CG1 3.97Å; I419-L437 HydrophobicContact CD1-CD1 4.22Å; I419-L437 HydrophobicContact CD1-CD2 3.81Å; I419-L437 HydrophobicContact CD1-CG 4.37Å; I419-K457 HydrophobicContact CD1-CB 4.18Å; I419-K457 HydrophobicContact CD1-CG 4.41Å; I419-L461 HydrophobicContact CG2-CD1 4.19Å; I419-L461 HydrophobicContact CG2-CD2 4.46Å |
| 420 | G | 93.1 | Very high | 93.3 | Very high | 39 Ų | 39 | 37.2 Ų | 37.2 | 40% | 0.402 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -65.5 | -12.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | K357 H417 L418 | K357-G420 PolarHBondContact NZ-O 3.24Å; H417-G420 PolarHBondContact O-N 3.39Å; L418-G420 PolarHBondContact O-N 3.32Å; L418-G420 VanDerWaalsContact O-N 3.14Å |
| 421 | C | 94.1 | Very high | 93.2 | Very high | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.034 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -100.6 | -15.6 | 177.7 | -60.7 | 0 | 0 | 0 | 0 | 113.7 | C353 L371 L418 I419 | C353-C421 HydrophobicContact CB-CB 3.96Å; L371-C421 HydrophobicContact CD1-CB 3.72Å; L418-C421 WeakPolarHBondContact O-CA 3.18Å; L418-C421 WeakPolarHBondContact O-CB 3.24Å; L418-C421 PolarHBondContact O-N 3.45Å; I419-C421 PolarHBondContact O-N 3.37Å; I419-C421 VanDerWaalsContact O-N 3.14Å |
| 422 | L | 92.9 | Very high | 93.1 | Very high | 7 Ų | 7 | 45.3 Ų | 45.3 | 4% | 0.037 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -65.1 | 152.4 | -179 | -59.9 | 172.5 | 0 | 0 | 0 | 111.8 | A374 Y377 I419 T424 V433 | A374-L422 HydrophobicContact CB-CB 4.36Å; A374-L422 HydrophobicContact CB-CD1 4.28Å; Y377-L422 HydrophobicContact CD1-CD1 3.55Å; Y377-L422 HydrophobicContact CD1-CD2 4.18Å; Y377-L422 HydrophobicContact CD1-CG 4.35Å; Y377-L422 HydrophobicContact CD2-CD2 4.34Å; Y377-L422 HydrophobicContact CE1-CD1 4.26Å; Y377-L422 HydrophobicContact CG-CD1 4.01Å; Y377-L422 HydrophobicContact CG-CD2 3.88Å; I419-L422 HydrophobicContact CB-CD1 4.49Å; I419-L422 HydrophobicContact CG2-CD1 4.49Å; I419-L422 PolarHBondContact O-N 3.16Å; L422-T424 HydrophobicContact CB-CG2 4.25Å; L422-T424 PolarHBondContact O-N 3.34Å; L422-V433 HydrophobicContact CD1-CG2 4.27Å |
| 423 | D | 87.8 | Confident | 93.1 | Very high | 91 Ų | 91 | 45.3 Ų | 45.3 | 49% | 0.487 | 24% | 0.237 | S | C | . | . | trans | -76.8 | 105.7 | 163.9 | -177 | 12.7 | 0 | 0 | 0 | 109.6 | N425 | D423-N425 WeakPolarHBondContact OD1-CB 3.47Å; D423-N425 VanDerWaalsContact OD1-CG 3.23Å; D423-N425 PolarHBondContact OD1-N 3.26Å; D423-N425 PolarHBondContact OD1-ND2 3.45Å | ||
| 424 | T | 86.7 | Confident | 93 | Very high | 41 Ų | 41 | 43.9 Ų | 43.9 | 25% | 0.252 | 23% | 0.231 | S | C | . | . | trans | -103.1 | 12.6 | 177.8 | 62.7 | 0 | 0 | 0 | 0 | 112.6 | L422 L461 | L422-T424 HydrophobicContact CB-CG2 4.25Å; L422-T424 PolarHBondContact O-N 3.34Å; T424-L461 HydrophobicContact CG2-CD2 3.69Å | ||
| 425 | N | 86.1 | Confident | 93 | Very high | 140 Ų | 140 | 46.2 Ų | 46.2 | 75% | 0.749 | 25% | 0.245 | S | C | * | . | trans | -67.6 | -31.4 | 172.3 | -64.7 | -45.3 | 0 | 0 | 0 | 110.8 | D423 E427 | D423-N425 WeakPolarHBondContact OD1-CB 3.47Å; D423-N425 VanDerWaalsContact OD1-CG 3.23Å; D423-N425 PolarHBondContact OD1-N 3.26Å; D423-N425 PolarHBondContact OD1-ND2 3.45Å; N425-E427 PolarHBondContact O-N 3.3Å | ||
| 426 | E | 88.2 | Confident | 92.9 | Very high | 110 Ų | 110 | 46.2 Ų | 46.2 | 51% | 0.514 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -69.3 | 120 | 172.4 | -163 | -162.9 | 157 | 0 | 0 | 111.2 | G428 R430 | E426-G428 VanDerWaalsContact C-N 3.34Å; E426-G428 PolarHBondContact O-N 2.7Å; E426-R430 WeakPolarHBondContact O-CB 3.48Å; E426-R430 PolarHBondContact O-N 2.97Å; E426-R430 VanDerWaalsContact O-N 3.08Å |
| 427 | E | 88.9 | Confident | 92.9 | Very high | 110 Ų | 110 | 46.2 Ų | 46.2 | 51% | 0.514 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.1 | -35.8 | -176.1 | -168.3 | -179.1 | 171.2 | 0 | 0 | 113 | N425 K431 | N425-E427 PolarHBondContact O-N 3.3Å; E427-K431 HydrophobicContact CG-CD 4.27Å; E427-K431 WeakPolarHBondContact O-CB 3.4Å; E427-K431 VanDerWaalsContact O-CG 3.3Å; E427-K431 WeakPolarHBondContact O-CG 3.2Å; E427-K431 PolarHBondContact O-N 3.48Å; E427-K431 WeakPolarHBondContact OE1-CE 3.24Å; E427-K431 IonicContact OE1-NZ 2.77Å; E427-K431 PolarHBondContact OE1-NZ 3.49Å |
| 428 | G | 90.1 | Very high | 92.8 | Very high | 44 Ų | 44 | 47.3 Ų | 47.3 | 45% | 0.454 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64 | -56.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E426 R430 K431 R432 | E426-G428 VanDerWaalsContact C-N 3.34Å; E426-G428 PolarHBondContact O-N 2.7Å; G428-R430 PolarHBondContact O-N 3.38Å; G428-K431 PolarHBondContact O-N 2.86Å; G428-R432 PolarHBondContact O-N 3.48Å |
| 429 | G | 91 | Very high | 92.8 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58 | -45.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | K431 R432 V433 | G429-K431 VanDerWaalsContact C-N 3.34Å; G429-K431 PolarHBondContact O-N 3.34Å; G429-R432 PolarHBondContact O-N 3.11Å; G429-R432 VanDerWaalsContact O-N 3.11Å; G429-V433 WeakPolarHBondContact O-CG2 3.08Å; G429-V433 PolarHBondContact O-N 3.46Å |
| 430 | R | 93.6 | Very high | 92.7 | Very high | 70 Ų | 70 | 50.9 Ų | 50.9 | 26% | 0.264 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.1 | -43.6 | 176.2 | -176.8 | 178.7 | 59.4 | 144.7 | -4 | 112.5 | E426 G428 R432 V433 L434 | E426-R430 WeakPolarHBondContact O-CB 3.48Å; E426-R430 PolarHBondContact O-N 2.97Å; E426-R430 VanDerWaalsContact O-N 3.08Å; G428-R430 PolarHBondContact O-N 3.38Å; R430-R432 VanDerWaalsContact C-N 3.34Å; R430-V433 PolarHBondContact O-N 3.09Å; R430-L434 HydrophobicContact CG-CD1 4.33Å; R430-L434 WeakPolarHBondContact O-CG 3.32Å; R430-L434 PolarHBondContact O-N 2.98Å |
| 431 | K | 93.6 | Very high | 92.8 | Very high | 113 Ų | 113 | 49 Ų | 49 | 49% | 0.491 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.1 | -39.8 | 176.3 | -79.3 | 176.1 | -177.4 | 168.1 | 0 | 111.8 | E427 G428 G429 L434 V435 | E427-K431 HydrophobicContact CG-CD 4.27Å; E427-K431 WeakPolarHBondContact O-CB 3.4Å; E427-K431 VanDerWaalsContact O-CG 3.3Å; E427-K431 WeakPolarHBondContact O-CG 3.2Å; E427-K431 PolarHBondContact O-N 3.48Å; E427-K431 WeakPolarHBondContact OE1-CE 3.24Å; E427-K431 IonicContact OE1-NZ 2.77Å; E427-K431 PolarHBondContact OE1-NZ 3.49Å; G428-K431 PolarHBondContact O-N 2.86Å; G429-K431 VanDerWaalsContact C-N 3.34Å; G429-K431 PolarHBondContact O-N 3.34Å; K431-L434 PolarHBondContact O-N 3.26Å; K431-V435 WeakPolarHBondContact O-CG2 3.4Å; K431-V435 PolarHBondContact O-N 3.1Å |
| 432 | R | 95.1 | Very high | 92.7 | Very high | 74 Ų | 74 | 50.6 Ų | 50.6 | 28% | 0.279 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.6 | -46.9 | 177.8 | -178.1 | 57.9 | -176 | 146.2 | 2.7 | 111.6 | A375 D379 G428 G429 R430 L434 V435 V436 | A375-R432 HydrophobicContact CB-CB 4.31Å; A375-R432 HydrophobicContact CB-CG 4.43Å; D379-R432 IonicContact OD1-CZ 2.67Å; D379-R432 IonicContact OD1-NE 3.73Å; D379-R432 PolarHBondContact OD1-NE 3.04Å; D379-R432 IonicContact OD1-NH2 2.81Å; D379-R432 PolarHBondContact OD1-NH2 3.28Å; G428-R432 PolarHBondContact O-N 3.48Å; G429-R432 PolarHBondContact O-N 3.11Å; G429-R432 VanDerWaalsContact O-N 3.11Å; R430-R432 VanDerWaalsContact C-N 3.34Å; R432-L434 VanDerWaalsContact C-N 3.33Å; R432-L434 PolarHBondContact O-N 3.17Å; R432-V435 PolarHBondContact O-N 2.8Å; R432-V436 WeakPolarHBondContact O-CG2 3.44Å; R432-V436 PolarHBondContact O-N 3.41Å |
| 433 | V | 95.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 177.1 | 179.9 | 0 | 0 | 0 | 0 | 111.3 | A374 I419 L422 G429 R430 V435 V436 L437 L461 | A374-V433 HydrophobicContact CB-CG2 4.24Å; A374-V433 WeakPolarHBondContact O-CG2 3.42Å; I419-V433 HydrophobicContact CD1-CG1 4.15Å; I419-V433 HydrophobicContact CG1-CG1 4.36Å; I419-V433 HydrophobicContact CG2-CG1 3.97Å; L422-V433 HydrophobicContact CD1-CG2 4.27Å; G429-V433 WeakPolarHBondContact O-CG2 3.08Å; G429-V433 PolarHBondContact O-N 3.46Å; R430-V433 PolarHBondContact O-N 3.09Å; V433-V435 PolarHBondContact O-N 3.32Å; V433-V436 PolarHBondContact O-N 2.71Å; V433-L437 HydrophobicContact CG1-CD1 4.19Å; V433-L437 HydrophobicContact CG1-CG 4.44Å; V433-L437 WeakPolarHBondContact O-CG 3.42Å; V433-L437 PolarHBondContact O-N 3.23Å; V433-L461 HydrophobicContact CB-CD1 4.23Å; V433-L461 HydrophobicContact CG1-CD1 3.67Å |
| 434 | L | 95.9 | Very high | 92.1 | Very high | 27 Ų | 27 | 52.9 Ų | 52.9 | 14% | 0.141 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.7 | -47 | 175.2 | -77.8 | 170.8 | 0 | 0 | 0 | 112.3 | R430 K431 R432 V436 L437 Q438 L458 L461 I462 | R430-L434 HydrophobicContact CG-CD1 4.33Å; R430-L434 WeakPolarHBondContact O-CG 3.32Å; R430-L434 PolarHBondContact O-N 2.98Å; K431-L434 PolarHBondContact O-N 3.26Å; R432-L434 VanDerWaalsContact C-N 3.33Å; R432-L434 PolarHBondContact O-N 3.17Å; L434-V436 VanDerWaalsContact C-N 3.34Å; L434-V436 PolarHBondContact O-N 3.13Å; L434-L437 PolarHBondContact O-N 3.26Å; L434-Q438 VanDerWaalsContact O-CG 3.28Å; L434-Q438 WeakPolarHBondContact O-CG 3.45Å; L434-Q438 PolarHBondContact O-N 2.71Å; L434-L458 HydrophobicContact CD2-CD1 3.72Å; L434-L461 HydrophobicContact CD2-CB 3.52Å; L434-L461 HydrophobicContact CD2-CD1 4.01Å; L434-L461 HydrophobicContact CD2-CG 4.43Å; L434-L461 HydrophobicContact CG-CB 4.1Å; L434-L461 HydrophobicContact CG-CD1 4.2Å; L434-I462 HydrophobicContact CD2-CD1 4.28Å; L434-I462 HydrophobicContact CD2-CG1 3.76Å |
| 435 | V | 95.8 | Very high | 92 | Very high | 53 Ų | 53 | 57 Ų | 57 | 32% | 0.321 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 177.8 | 169.6 | 0 | 0 | 0 | 0 | 110.8 | K431 R432 V433 L437 Q438 E439 | K431-V435 WeakPolarHBondContact O-CG2 3.4Å; K431-V435 PolarHBondContact O-N 3.1Å; R432-V435 PolarHBondContact O-N 2.8Å; V433-V435 PolarHBondContact O-N 3.32Å; V435-L437 VanDerWaalsContact C-N 3.34Å; V435-L437 PolarHBondContact O-N 2.68Å; V435-Q438 PolarHBondContact O-N 3.19Å; V435-E439 HydrophobicContact CG1-CG 4.22Å; V435-E439 WeakPolarHBondContact CG1-OE1 3.27Å; V435-E439 WeakPolarHBondContact O-CB 3.49Å; V435-E439 WeakPolarHBondContact O-CG 3.06Å; V435-E439 PolarHBondContact O-N 3.47Å |
| 436 | V | 96.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.9 | -45.1 | 177.6 | 166.6 | 0 | 0 | 0 | 0 | 111.4 | G378 L381 F382 R432 V433 L434 E439 M440 | G378-V436 WeakPolarHBondContact O-CG2 3.35Å; L381-V436 HydrophobicContact CD2-CG1 4.43Å; F382-V436 HydrophobicContact CB-CG1 3.78Å; F382-V436 HydrophobicContact CB-CG2 4.01Å; F382-V436 HydrophobicContact CD2-CG1 4.18Å; F382-V436 HydrophobicContact CG-CG1 4.46Å; R432-V436 WeakPolarHBondContact O-CG2 3.44Å; R432-V436 PolarHBondContact O-N 3.41Å; V433-V436 PolarHBondContact O-N 2.71Å; L434-V436 VanDerWaalsContact C-N 3.34Å; L434-V436 PolarHBondContact O-N 3.13Å; V436-E439 PolarHBondContact O-N 2.96Å; V436-M440 HydrophobicContact CG1-CG 4.47Å; V436-M440 WeakPolarHBondContact O-CB 3.22Å; V436-M440 VanDerWaalsContact O-CG 3.25Å; V436-M440 WeakPolarHBondContact O-CG 3.43Å; V436-M440 PolarHBondContact O-N 2.67Å |
| 437 | L | 96.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.8 | -40.2 | 177.8 | -67 | 174.3 | 0 | 0 | 0 | 112.2 | I419 V433 L434 V435 L441 L454 K457 L458 L461 | I419-L437 HydrophobicContact CD1-CD1 4.22Å; I419-L437 HydrophobicContact CD1-CD2 3.81Å; I419-L437 HydrophobicContact CD1-CG 4.37Å; V433-L437 HydrophobicContact CG1-CD1 4.19Å; V433-L437 HydrophobicContact CG1-CG 4.44Å; V433-L437 WeakPolarHBondContact O-CG 3.42Å; V433-L437 PolarHBondContact O-N 3.23Å; L434-L437 PolarHBondContact O-N 3.26Å; V435-L437 VanDerWaalsContact C-N 3.34Å; V435-L437 PolarHBondContact O-N 2.68Å; L437-L441 WeakPolarHBondContact O-CB 3.49Å; L437-L441 VanDerWaalsContact O-CG 3.27Å; L437-L441 WeakPolarHBondContact O-CG 3.47Å; L437-L441 PolarHBondContact O-N 2.97Å; L437-L454 HydrophobicContact CD2-CD2 3.5Å; L437-K457 HydrophobicContact CD1-CB 4.11Å; L437-L458 HydrophobicContact CB-CB 4.27Å; L437-L458 HydrophobicContact CB-CD1 3.95Å; L437-L458 HydrophobicContact CD1-CB 4.16Å; L437-L461 HydrophobicContact CD1-CD1 3.88Å |
| 438 | Q | 96 | Very high | 92 | Very high | 64 Ų | 64 | 44.7 Ų | 44.7 | 30% | 0.299 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.1 | -48.5 | 176.1 | -70.9 | 173.5 | -8.1 | 0 | 0 | 111.6 | L434 V435 M440 L441 A442 L458 T471 I475 | L434-Q438 VanDerWaalsContact O-CG 3.28Å; L434-Q438 WeakPolarHBondContact O-CG 3.45Å; L434-Q438 PolarHBondContact O-N 2.71Å; V435-Q438 PolarHBondContact O-N 3.19Å; Q438-M440 PolarHBondContact O-N 3.48Å; Q438-L441 PolarHBondContact O-N 3.3Å; Q438-A442 WeakPolarHBondContact O-CB 3.34Å; Q438-A442 PolarHBondContact O-N 3.13Å; Q438-L458 HydrophobicContact CG-CD1 3.83Å; Q438-T471 HydrophobicContact CG-CG2 4.2Å; Q438-T471 VanDerWaalsContact NE2-CG2 3.27Å; Q438-I475 HydrophobicContact CB-CD1 4.47Å; Q438-I475 HydrophobicContact CG-CD1 4.16Å |
| 439 | E | 94.6 | Very high | 92 | Very high | 79 Ų | 79 | 44.9 Ų | 44.9 | 37% | 0.369 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.2 | -46.9 | 177.4 | -73.8 | 177.6 | -178.7 | 0 | 0 | 110.9 | F382 V435 V436 L441 A442 L443 | F382-E439 HydrophobicContact CE2-CB 4.07Å; F382-E439 VanDerWaalsContact CE2-OE2 3.32Å; F382-E439 WeakPolarHBondContact CE2-OE2 3.48Å; V435-E439 HydrophobicContact CG1-CG 4.22Å; V435-E439 WeakPolarHBondContact CG1-OE1 3.27Å; V435-E439 WeakPolarHBondContact O-CB 3.49Å; V435-E439 WeakPolarHBondContact O-CG 3.06Å; V435-E439 PolarHBondContact O-N 3.47Å; V436-E439 PolarHBondContact O-N 2.96Å; E439-L441 VanDerWaalsContact C-N 3.32Å; E439-L441 PolarHBondContact O-N 2.92Å; E439-A442 PolarHBondContact O-N 3.06Å; E439-L443 WeakPolarHBondContact O-CG 3.32Å; E439-L443 PolarHBondContact O-N 3.34Å |
| 440 | M | 94.9 | Very high | 92.1 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.8 | -36.5 | 177.2 | -70.8 | -55.8 | -45.2 | 0 | 0 | 112.7 | F382 L385 V436 Q438 L443 T446 L454 R572 | F382-M440 HydrophobicContact CD2-CG 4.19Å; F382-M440 HydrophobicContact CD2-SD 3.85Å; F382-M440 HydrophobicContact CE2-SD 4.01Å; L385-M440 HydrophobicContact CB-CE 3.52Å; L385-M440 HydrophobicContact CB-CG 4.39Å; L385-M440 HydrophobicContact CB-SD 3.73Å; L385-M440 HydrophobicContact CD1-CE 4.3Å; L385-M440 HydrophobicContact CD1-CG 3.87Å; L385-M440 HydrophobicContact CD1-SD 4.31Å; V436-M440 HydrophobicContact CG1-CG 4.47Å; V436-M440 WeakPolarHBondContact O-CB 3.22Å; V436-M440 VanDerWaalsContact O-CG 3.25Å; V436-M440 WeakPolarHBondContact O-CG 3.43Å; V436-M440 PolarHBondContact O-N 2.67Å; Q438-M440 PolarHBondContact O-N 3.48Å; M440-L443 HydrophobicContact CE-CD1 4.32Å; M440-L443 HydrophobicContact SD-CD1 4.03Å; M440-T446 HydrophobicContact CE-CG2 4.01Å; M440-T446 WeakPolarHBondContact CE-OG1 2.91Å; M440-T446 WeakPolarHBondContact O-CB 3.49Å; M440-T446 PolarHBondContact O-OG1 3.19Å; M440-L454 HydrophobicContact CB-CD1 4.16Å; M440-R572 PolarHBondContact O-NH2 2.9Å; M440-R572 VanDerWaalsContact O-NH2 3.12Å |
| 441 | L | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -73.3 | -28.8 | 176.6 | -73.1 | 167.9 | 0 | 0 | 0 | 112.8 | L437 Q438 E439 V451 L454 L458 I475 R572 M576 | L437-L441 WeakPolarHBondContact O-CB 3.49Å; L437-L441 VanDerWaalsContact O-CG 3.27Å; L437-L441 WeakPolarHBondContact O-CG 3.47Å; L437-L441 PolarHBondContact O-N 2.97Å; Q438-L441 PolarHBondContact O-N 3.3Å; E439-L441 VanDerWaalsContact C-N 3.32Å; E439-L441 PolarHBondContact O-N 2.92Å; L441-V451 HydrophobicContact CD2-CG1 4.16Å; L441-L454 HydrophobicContact CD1-CB 4.39Å; L441-L454 HydrophobicContact CD2-CB 3.67Å; L441-L454 HydrophobicContact CD2-CD1 4.25Å; L441-L454 HydrophobicContact CG-CB 3.98Å; L441-L458 HydrophobicContact CD1-CB 4.49Å; L441-L458 HydrophobicContact CD1-CD2 3.81Å; L441-I475 HydrophobicContact CB-CD1 4.39Å; L441-I475 HydrophobicContact CB-CG2 3.83Å; L441-I475 HydrophobicContact CD1-CD1 4.21Å; L441-R572 PolarHBondContact O-NE 3.23Å; L441-R572 PolarHBondContact O-NH2 3.06Å; L441-M576 HydrophobicContact CB-SD 4.19Å; L441-M576 HydrophobicContact CD2-CG 4.36Å; L441-M576 HydrophobicContact CD2-SD 4Å |
| 442 | A | 92.4 | Very high | 92.3 | Very high | 37 Ų | 37 | 38.2 Ų | 38.2 | 31% | 0.306 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -76.4 | -28.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q438 E439 T444 | Q438-A442 WeakPolarHBondContact O-CB 3.34Å; Q438-A442 PolarHBondContact O-N 3.13Å; E439-A442 PolarHBondContact O-N 3.06Å; A442-T444 PolarHBondContact O-N 3.44Å |
| 443 | L | 88.9 | Confident | 92.4 | Very high | 62 Ų | 62 | 35.4 Ų | 35.4 | 33% | 0.325 | 20% | 0.204 | S | C | . | . | trans | -67.1 | 121.8 | 178.5 | -73.7 | 172.7 | 0 | 0 | 0 | 112.1 | E439 M440 Q445 T446 R572 | E439-L443 WeakPolarHBondContact O-CG 3.32Å; E439-L443 PolarHBondContact O-N 3.34Å; M440-L443 HydrophobicContact CE-CD1 4.32Å; M440-L443 HydrophobicContact SD-CD1 4.03Å; L443-Q445 PolarHBondContact O-N 3.39Å; L443-T446 PolarHBondContact O-N 2.79Å; L443-T446 PolarHBondContact O-OG1 2.92Å; L443-R572 PolarHBondContact O-NH1 3.22Å; L443-R572 PolarHBondContact O-NH2 3.15Å | ||
| 444 | T | 80.1 | Confident | 92.5 | Very high | 85 Ų | 85 | 35.4 Ų | 35.4 | 52% | 0.521 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -24.9 | 177 | 54.2 | 0 | 0 | 0 | 0 | 113.4 | A442 T446 | A442-T444 PolarHBondContact O-N 3.44Å; T444-T446 VanDerWaalsContact C-N 3.32Å; T444-T446 PolarHBondContact O-N 3.21Å |
| 445 | Q | 82.6 | Confident | 92.5 | Very high | 128 Ų | 128 | 34.1 Ų | 34.1 | 60% | 0.598 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -10.2 | -178.6 | -66.7 | 169.3 | 4.8 | 0 | 0 | 113.6 | V390 L443 P447 | V390-Q445 HydrophobicContact CG2-CB 3.81Å; V390-Q445 HydrophobicContact CG2-CG 4.37Å; V390-Q445 WeakPolarHBondContact CG2-O 3.49Å; L443-Q445 PolarHBondContact O-N 3.39Å; Q445-P447 WeakPolarHBondContact O-CD 3.32Å |
| 446 | T | 88.4 | Confident | 92.5 | Very high | 7 Ų | 7 | 34.7 Ų | 34.7 | 4% | 0.043 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -68.3 | 128.7 | -178.1 | -51.3 | 0 | 0 | 0 | 0 | 110.1 | M440 L443 T444 L450 L454 R572 | M440-T446 HydrophobicContact CE-CG2 4.01Å; M440-T446 WeakPolarHBondContact CE-OG1 2.91Å; M440-T446 WeakPolarHBondContact O-CB 3.49Å; M440-T446 PolarHBondContact O-OG1 3.19Å; L443-T446 PolarHBondContact O-N 2.79Å; L443-T446 PolarHBondContact O-OG1 2.92Å; T444-T446 VanDerWaalsContact C-N 3.32Å; T444-T446 PolarHBondContact O-N 3.21Å; T446-L450 HydrophobicContact CG2-CB 4.41Å; T446-L454 HydrophobicContact CG2-CD1 3.74Å; T446-R572 VanDerWaalsContact CB-NH2 3.3Å; T446-R572 PolarHBondContact O-NH1 3.2Å; T446-R572 PolarHBondContact OG1-NH2 3.47Å |
| 447 | P | 88.6 | Confident | 92.5 | Very high | 16 Ų | 16 | 36 Ų | 36 | 10% | 0.104 | 20% | 0.202 | C | C | . | . | trans | -55.9 | 139.3 | 179.7 | -25.3 | 32.1 | 0 | 0 | 0 | 113.2 | V388 E409 Q445 S449 L450 | V388-P447 HydrophobicContact CG1-CG 4Å; E409-P447 HydrophobicContact CG-CB 4.16Å; E409-P447 HydrophobicContact CG-CG 4.17Å; E409-P447 WeakPolarHBondContact OE1-CB 3.19Å; Q445-P447 WeakPolarHBondContact O-CD 3.32Å; P447-S449 PolarHBondContact O-N 3.33Å; P447-L450 HydrophobicContact CB-CD1 4.44Å; P447-L450 HydrophobicContact CB-CG 4.27Å; P447-L450 HydrophobicContact CG-CD1 4.21Å; P447-L450 PolarHBondContact O-N 3.39Å; P447-L450 VanDerWaalsContact O-N 3.08Å | ||
| 448 | S | 87.8 | Confident | 92.5 | Very high | 77 Ų | 77 | 36 Ų | 36 | 54% | 0.538 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.9 | -29.5 | -178.1 | 59.8 | 0 | 0 | 0 | 0 | 113.2 | L450 V451 | S448-L450 PolarHBondContact O-N 3.28Å; S448-V451 PolarHBondContact O-N 2.97Å |
| 449 | S | 89.6 | Confident | 92.5 | Very high | 49 Ų | 49 | 33 Ų | 33 | 34% | 0.343 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.9 | -28.1 | 176.9 | 57.6 | 0 | 0 | 0 | 0 | 113 | E409 P447 | E409-S449 VanDerWaalsContact CD-OG 3.25Å; E409-S449 WeakPolarHBondContact OE2-CB 3.48Å; E409-S449 PolarHBondContact OE2-OG 3Å; P447-S449 PolarHBondContact O-N 3.33Å |
| 450 | L | 93.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -88.1 | -19.6 | -177.7 | -55.1 | -175.6 | 0 | 0 | 0 | 113.2 | L385 Q413 I416 T446 P447 S448 S452 L453 L454 | L385-L450 HydrophobicContact CD2-CD1 4.08Å; Q413-L450 HydrophobicContact CG-CD2 3.5Å; I416-L450 HydrophobicContact CD1-CB 4.39Å; I416-L450 HydrophobicContact CD1-CD1 4.47Å; I416-L450 HydrophobicContact CD1-CD2 4.25Å; T446-L450 HydrophobicContact CG2-CB 4.41Å; P447-L450 HydrophobicContact CB-CD1 4.44Å; P447-L450 HydrophobicContact CB-CG 4.27Å; P447-L450 HydrophobicContact CG-CD1 4.21Å; P447-L450 PolarHBondContact O-N 3.39Å; P447-L450 VanDerWaalsContact O-N 3.08Å; S448-L450 PolarHBondContact O-N 3.28Å; L450-S452 PolarHBondContact O-N 2.87Å; L450-L453 PolarHBondContact O-N 3Å; L450-L454 HydrophobicContact CB-CD1 3.98Å; L450-L454 HydrophobicContact CB-CG 4.36Å; L450-L454 WeakPolarHBondContact O-CB 3.39Å; L450-L454 VanDerWaalsContact O-CG 3.3Å; L450-L454 WeakPolarHBondContact O-CG 3.43Å; L450-L454 PolarHBondContact O-N 3.2Å |
| 451 | V | 95 | Very high | 92.4 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60 | -45.9 | -170.4 | 175.5 | 0 | 0 | 0 | 0 | 112.2 | L441 S448 T455 R572 T575 M576 | L441-V451 HydrophobicContact CD2-CG1 4.16Å; S448-V451 PolarHBondContact O-N 2.97Å; V451-T455 WeakPolarHBondContact O-CB 3.45Å; V451-T455 PolarHBondContact O-N 2.92Å; V451-T455 PolarHBondContact O-OG1 3.29Å; V451-R572 HydrophobicContact CG1-CG 3.97Å; V451-R572 HydrophobicContact CG2-CG 3.92Å; V451-T575 HydrophobicContact CB-CG2 4.36Å; V451-T575 HydrophobicContact CG1-CG2 4.02Å; V451-M576 HydrophobicContact CG1-CG 3.6Å |
| 452 | S | 96 | Very high | 92.3 | Very high | 40 Ų | 40 | 33.7 Ų | 33.7 | 28% | 0.28 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.2 | -49.1 | 178 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | L450 T455 E456 E579 | L450-S452 PolarHBondContact O-N 2.87Å; S452-T455 PolarHBondContact O-N 3.34Å; S452-E456 WeakPolarHBondContact O-CB 3.42Å; S452-E456 PolarHBondContact O-N 2.85Å; S452-E579 PolarHBondContact OG-OE1 3.16Å; S452-E579 VanDerWaalsContact OG-OE1 3.04Å |
| 453 | L | 96.7 | Very high | 92 | Very high | 16 Ų | 16 | 36.7 Ų | 36.7 | 8% | 0.084 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.7 | -41.7 | -178.1 | -179.5 | 60 | 0 | 0 | 0 | 113 | Q413 I416 H417 L450 T455 E456 K457 | Q413-L453 HydrophobicContact CB-CD2 3.95Å; Q413-L453 HydrophobicContact CG-CD2 4.17Å; I416-L453 HydrophobicContact CB-CD2 3.89Å; I416-L453 HydrophobicContact CB-CG 4.19Å; I416-L453 HydrophobicContact CD1-CD2 4.37Å; I416-L453 HydrophobicContact CG2-CD1 4.4Å; I416-L453 HydrophobicContact CG2-CD2 3.94Å; I416-L453 HydrophobicContact CG2-CG 3.65Å; H417-L453 WeakPolarHBondContact CE1-CD1 3.19Å; L450-L453 PolarHBondContact O-N 3Å; L453-T455 VanDerWaalsContact C-N 3.32Å; L453-T455 PolarHBondContact O-N 3.08Å; L453-E456 WeakPolarHBondContact O-CB 3.37Å; L453-E456 PolarHBondContact O-N 2.86Å; L453-K457 HydrophobicContact CD1-CG 4.44Å; L453-K457 WeakPolarHBondContact O-CG 3.33Å; L453-K457 PolarHBondContact O-N 3.04Å |
| 454 | L | 97.1 | Very high | 92 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.5 | -43.5 | 174.6 | -74.3 | 169.5 | 0 | 0 | 0 | 111.1 | L385 I416 L437 M440 L441 T446 L450 K457 L458 | L385-L454 HydrophobicContact CD1-CD2 4.17Å; I416-L454 HydrophobicContact CD1-CD2 3.6Å; I416-L454 HydrophobicContact CD1-CG 3.88Å; I416-L454 HydrophobicContact CG1-CD2 3.86Å; I416-L454 HydrophobicContact CG2-CD2 4.22Å; L437-L454 HydrophobicContact CD2-CD2 3.5Å; M440-L454 HydrophobicContact CB-CD1 4.16Å; L441-L454 HydrophobicContact CD1-CB 4.39Å; L441-L454 HydrophobicContact CD2-CB 3.67Å; L441-L454 HydrophobicContact CD2-CD1 4.25Å; L441-L454 HydrophobicContact CG-CB 3.98Å; T446-L454 HydrophobicContact CG2-CD1 3.74Å; L450-L454 HydrophobicContact CB-CD1 3.98Å; L450-L454 HydrophobicContact CB-CG 4.36Å; L450-L454 WeakPolarHBondContact O-CB 3.39Å; L450-L454 VanDerWaalsContact O-CG 3.3Å; L450-L454 WeakPolarHBondContact O-CG 3.43Å; L450-L454 PolarHBondContact O-N 3.2Å; L454-K457 PolarHBondContact O-N 3.33Å; L454-L458 WeakPolarHBondContact O-CB 3.28Å; L454-L458 PolarHBondContact O-N 2.94Å |
| 455 | T | 96.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.4 | -44 | 176.5 | -52 | 0 | 0 | 0 | 0 | 110.6 | V451 S452 L453 K457 L458 L459 M576 E579 | V451-T455 WeakPolarHBondContact O-CB 3.45Å; V451-T455 PolarHBondContact O-N 2.92Å; V451-T455 PolarHBondContact O-OG1 3.29Å; S452-T455 PolarHBondContact O-N 3.34Å; L453-T455 VanDerWaalsContact C-N 3.32Å; L453-T455 PolarHBondContact O-N 3.08Å; T455-K457 VanDerWaalsContact C-N 3.33Å; T455-K457 PolarHBondContact O-N 2.85Å; T455-L458 WeakPolarHBondContact O-CB 3.4Å; T455-L458 PolarHBondContact O-N 2.66Å; T455-L459 HydrophobicContact CG2-CD1 3.89Å; T455-L459 HydrophobicContact CG2-CG 4.24Å; T455-L459 WeakPolarHBondContact O-CB 3.46Å; T455-L459 WeakPolarHBondContact O-CG 3.37Å; T455-L459 PolarHBondContact O-N 3.1Å; T455-M576 HydrophobicContact CG2-CB 4.44Å; T455-M576 WeakPolarHBondContact OG1-CG 3.25Å; T455-E579 HydrophobicContact CG2-CB 3.76Å |
| 456 | E | 96.6 | Very high | 92.8 | Very high | 65 Ų | 65 | 32.6 Ų | 32.6 | 30% | 0.304 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -56.5 | -46.9 | 177.4 | -171.2 | -150.3 | 121.4 | 0 | 0 | 111.5 | S452 L453 L459 A460 | S452-E456 WeakPolarHBondContact O-CB 3.42Å; S452-E456 PolarHBondContact O-N 2.85Å; L453-E456 WeakPolarHBondContact O-CB 3.37Å; L453-E456 PolarHBondContact O-N 2.86Å; E456-L459 PolarHBondContact O-N 3.27Å; E456-A460 WeakPolarHBondContact O-CB 3.15Å; E456-A460 PolarHBondContact O-N 3.47Å |
| 457 | K | 95.8 | Very high | 92.9 | Very high | 27 Ų | 27 | 40.4 Ų | 40.4 | 12% | 0.117 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.1 | -35.5 | 178.5 | -63.3 | -48.5 | 176.8 | -149.3 | 0 | 113.1 | I416 I419 L437 L453 L454 T455 A460 L461 | I416-K457 HydrophobicContact CG2-CB 4.33Å; I416-K457 HydrophobicContact CG2-CG 3.68Å; I419-K457 HydrophobicContact CD1-CB 4.18Å; I419-K457 HydrophobicContact CD1-CG 4.41Å; L437-K457 HydrophobicContact CD1-CB 4.11Å; L453-K457 HydrophobicContact CD1-CG 4.44Å; L453-K457 WeakPolarHBondContact O-CG 3.33Å; L453-K457 PolarHBondContact O-N 3.04Å; L454-K457 PolarHBondContact O-N 3.33Å; T455-K457 VanDerWaalsContact C-N 3.33Å; T455-K457 PolarHBondContact O-N 2.85Å; K457-A460 PolarHBondContact O-N 3.07Å; K457-L461 WeakPolarHBondContact O-CG 3.29Å; K457-L461 PolarHBondContact O-N 3.33Å |
| 458 | L | 96.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.8 | -49.3 | 174.4 | 178 | 72.7 | 0 | 0 | 0 | 110.4 | L434 L437 Q438 L441 L454 T455 A460 L461 I462 T471 I475 | L434-L458 HydrophobicContact CD2-CD1 3.72Å; L437-L458 HydrophobicContact CB-CB 4.27Å; L437-L458 HydrophobicContact CB-CD1 3.95Å; L437-L458 HydrophobicContact CD1-CB 4.16Å; Q438-L458 HydrophobicContact CG-CD1 3.83Å; L441-L458 HydrophobicContact CD1-CB 4.49Å; L441-L458 HydrophobicContact CD1-CD2 3.81Å; L454-L458 WeakPolarHBondContact O-CB 3.28Å; L454-L458 PolarHBondContact O-N 2.94Å; T455-L458 WeakPolarHBondContact O-CB 3.4Å; T455-L458 PolarHBondContact O-N 2.66Å; L458-A460 VanDerWaalsContact C-N 3.34Å; L458-A460 PolarHBondContact O-N 2.97Å; L458-L461 PolarHBondContact O-N 3.31Å; L458-I462 HydrophobicContact CD1-CD1 4.35Å; L458-I462 HydrophobicContact CG-CD1 4.25Å; L458-I462 WeakPolarHBondContact O-CG1 3.47Å; L458-I462 PolarHBondContact O-N 2.91Å; L458-T471 HydrophobicContact CD2-CG2 4.09Å; L458-I475 HydrophobicContact CD2-CD1 3.79Å |
| 459 | L | 95.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.9 | -35.9 | -178.5 | -65.1 | 172.6 | 0 | 0 | 0 | 112.3 | T455 E456 L461 I462 R468 V472 E579 L580 Q583 | T455-L459 HydrophobicContact CG2-CD1 3.89Å; T455-L459 HydrophobicContact CG2-CG 4.24Å; T455-L459 WeakPolarHBondContact O-CB 3.46Å; T455-L459 WeakPolarHBondContact O-CG 3.37Å; T455-L459 PolarHBondContact O-N 3.1Å; E456-L459 PolarHBondContact O-N 3.27Å; L459-L461 VanDerWaalsContact C-N 3.26Å; L459-L461 PolarHBondContact O-N 2.84Å; L459-I462 PolarHBondContact O-N 2.9Å; L459-R468 HydrophobicContact CD2-CB 3.63Å; L459-R468 HydrophobicContact CD2-CG 3.66Å; L459-R468 PolarHBondContact O-NE 3.33Å; L459-R468 PolarHBondContact O-NH2 3.47Å; L459-V472 HydrophobicContact CD2-CG2 3.96Å; L459-E579 HydrophobicContact CD1-CB 4.45Å; L459-L580 HydrophobicContact CD1-CB 4.43Å; L459-L580 HydrophobicContact CD2-CD1 3.85Å; L459-Q583 HydrophobicContact CD1-CB 4.39Å; L459-Q583 HydrophobicContact CD1-CG 4.39Å |
| 460 | A | 93.6 | Very high | 93.7 | Very high | 66 Ų | 66 | 39.3 Ų | 39.3 | 55% | 0.545 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.2 | -31.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E456 K457 L458 | E456-A460 WeakPolarHBondContact O-CB 3.15Å; E456-A460 PolarHBondContact O-N 3.47Å; K457-A460 PolarHBondContact O-N 3.07Å; L458-A460 VanDerWaalsContact C-N 3.34Å; L458-A460 PolarHBondContact O-N 2.97Å |
| 461 | L | 93.4 | Very high | 93.8 | Very high | 17 Ų | 17 | 40.2 Ų | 40.2 | 9% | 0.089 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -82.2 | -20.7 | -179.9 | -66.3 | 176.5 | 0 | 0 | 0 | 113.7 | I419 T424 V433 L434 L437 K457 L458 L459 | I419-L461 HydrophobicContact CG2-CD1 4.19Å; I419-L461 HydrophobicContact CG2-CD2 4.46Å; T424-L461 HydrophobicContact CG2-CD2 3.69Å; V433-L461 HydrophobicContact CB-CD1 4.23Å; V433-L461 HydrophobicContact CG1-CD1 3.67Å; L434-L461 HydrophobicContact CD2-CB 3.52Å; L434-L461 HydrophobicContact CD2-CD1 4.01Å; L434-L461 HydrophobicContact CD2-CG 4.43Å; L434-L461 HydrophobicContact CG-CB 4.1Å; L434-L461 HydrophobicContact CG-CD1 4.2Å; L437-L461 HydrophobicContact CD1-CD1 3.88Å; K457-L461 WeakPolarHBondContact O-CG 3.29Å; K457-L461 PolarHBondContact O-N 3.33Å; L458-L461 PolarHBondContact O-N 3.31Å; L459-L461 VanDerWaalsContact C-N 3.26Å; L459-L461 PolarHBondContact O-N 2.84Å |
| 462 | I | 92.9 | Very high | 93.8 | Very high | 13 Ų | 13 | 40.2 Ų | 40.2 | 7% | 0.067 | 21% | 0.208 | C | C | . | . | trans | -95.9 | 115.5 | 178.1 | -57.2 | 172.1 | 0 | 0 | 0 | 108.2 | L434 L458 L459 R467 R468 T471 | L434-I462 HydrophobicContact CD2-CD1 4.28Å; L434-I462 HydrophobicContact CD2-CG1 3.76Å; L458-I462 HydrophobicContact CD1-CD1 4.35Å; L458-I462 HydrophobicContact CG-CD1 4.25Å; L458-I462 WeakPolarHBondContact O-CG1 3.47Å; L458-I462 PolarHBondContact O-N 2.91Å; L459-I462 PolarHBondContact O-N 2.9Å; I462-R467 HydrophobicContact CG2-CB 3.74Å; I462-R468 HydrophobicContact CB-CG 3.84Å; I462-R468 HydrophobicContact CG2-CG 3.73Å; I462-R468 PolarHBondContact O-NE 2.88Å; I462-R468 PolarHBondContact O-NH2 3.25Å; I462-T471 HydrophobicContact CD1-CG2 4.21Å | ||
| 463 | P | 86.4 | Confident | 93.7 | Very high | 99 Ų | 99 | 39 Ų | 39 | 64% | 0.643 | 20% | 0.201 | S | C | * | . | trans | -78.9 | -20.8 | -175.8 | 29.1 | -34.9 | 0 | 0 | 0 | 114.4 | ||||
| 464 | D | 89.8 | Confident | 93.6 | Very high | 72 Ų | 72 | 42.7 Ų | 42.7 | 39% | 0.385 | 22% | 0.218 | S | C | . | . | trans | -103.4 | 127 | -172.1 | 175.4 | 70.6 | 0 | 0 | 0 | 112.1 | Q466 R467 R468 | D464-Q466 VanDerWaalsContact C-N 3.35Å; D464-Q466 PolarHBondContact O-N 3.49Å; D464-Q466 WeakPolarHBondContact OD2-CB 3.31Å; D464-Q466 PolarHBondContact OD2-N 3.25Å; D464-R467 HydrophobicContact CB-CB 4.22Å; D464-R467 HydrophobicContact CB-CG 4.27Å; D464-R467 PolarHBondContact O-N 3.41Å; D464-R467 WeakPolarHBondContact OD2-CG 3.19Å; D464-R467 PolarHBondContact OD2-N 3.03Å; D464-R468 WeakPolarHBondContact O-CG 3.38Å; D464-R468 PolarHBondContact O-N 3.19Å | ||
| 465 | D | 88.4 | Confident | 93.5 | Very high | 20 Ų | 20 | 43.1 Ų | 43.1 | 11% | 0.107 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.5 | -37 | -178.2 | -80.6 | -3.3 | 0 | 0 | 0 | 112.5 | R467 R468 I469 N585 T588 | D465-R467 PolarHBondContact O-N 3.41Å; D465-R468 WeakPolarHBondContact O-CB 3.24Å; D465-R468 PolarHBondContact O-N 3.37Å; D465-R468 IonicContact OD1-CZ 3.08Å; D465-R468 IonicContact OD1-NH1 2.66Å; D465-R468 PolarHBondContact OD1-NH1 2.8Å; D465-I469 WeakPolarHBondContact O-CD1 3.27Å; D465-I469 WeakPolarHBondContact O-CG1 3.42Å; D465-I469 PolarHBondContact O-N 3.21Å; D465-N585 PolarHBondContact OD2-N 3.31Å; D465-T588 HydrophobicContact CB-CG2 4.12Å; D465-T588 PolarHBondContact OD2-OG1 2.97Å |
| 466 | Q | 90.1 | Very high | 93.4 | Very high | 97 Ų | 97 | 43.3 Ų | 43.3 | 45% | 0.453 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.9 | -40.3 | 179.6 | -171.7 | 65 | 18.5 | 0 | 0 | 111.3 | D464 I469 Q470 | D464-Q466 VanDerWaalsContact C-N 3.35Å; D464-Q466 PolarHBondContact O-N 3.49Å; D464-Q466 WeakPolarHBondContact OD2-CB 3.31Å; D464-Q466 PolarHBondContact OD2-N 3.25Å; Q466-I469 PolarHBondContact O-N 2.66Å; Q466-Q470 WeakPolarHBondContact O-CB 3.46Å; Q466-Q470 PolarHBondContact O-N 3.25Å |
| 467 | R | 92 | Very high | 93.2 | Very high | 171 Ų | 171 | 44 Ų | 44 | 65% | 0.645 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -64.7 | -42.1 | 172.3 | -72.4 | -178.6 | -174 | -175.4 | 1.5 | 112.1 | I462 D464 D465 I469 Q470 T471 | I462-R467 HydrophobicContact CG2-CB 3.74Å; D464-R467 HydrophobicContact CB-CB 4.22Å; D464-R467 HydrophobicContact CB-CG 4.27Å; D464-R467 PolarHBondContact O-N 3.41Å; D464-R467 WeakPolarHBondContact OD2-CG 3.19Å; D464-R467 PolarHBondContact OD2-N 3.03Å; D465-R467 PolarHBondContact O-N 3.41Å; R467-I469 VanDerWaalsContact C-N 3.33Å; R467-I469 PolarHBondContact O-N 3.11Å; R467-Q470 PolarHBondContact O-N 3.22Å; R467-T471 WeakPolarHBondContact O-CB 3.34Å; R467-T471 PolarHBondContact O-N 3.12Å; R467-T471 PolarHBondContact O-OG1 3.26Å; R467-T471 VanDerWaalsContact O-OG1 3.06Å |
| 468 | R | 94 | Very high | 92.9 | Very high | 38 Ų | 38 | 47 Ų | 47 | 14% | 0.143 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -55.3 | -49.2 | 174.3 | -74.1 | 172.7 | 178.6 | 169.9 | -8.2 | 111.4 | L459 I462 D464 D465 V472 L580 | L459-R468 HydrophobicContact CD2-CB 3.63Å; L459-R468 HydrophobicContact CD2-CG 3.66Å; L459-R468 PolarHBondContact O-NE 3.33Å; L459-R468 PolarHBondContact O-NH2 3.47Å; I462-R468 HydrophobicContact CB-CG 3.84Å; I462-R468 HydrophobicContact CG2-CG 3.73Å; I462-R468 PolarHBondContact O-NE 2.88Å; I462-R468 PolarHBondContact O-NH2 3.25Å; D464-R468 WeakPolarHBondContact O-CG 3.38Å; D464-R468 PolarHBondContact O-N 3.19Å; D465-R468 WeakPolarHBondContact O-CB 3.24Å; D465-R468 PolarHBondContact O-N 3.37Å; D465-R468 IonicContact OD1-CZ 3.08Å; D465-R468 IonicContact OD1-NH1 2.66Å; D465-R468 PolarHBondContact OD1-NH1 2.8Å; R468-V472 WeakPolarHBondContact O-CG2 3.33Å; R468-V472 PolarHBondContact O-N 3.22Å; R468-L580 HydrophobicContact CB-CD1 3.9Å |
| 469 | I | 93.8 | Very high | 92.6 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.4 | -49 | 178.5 | -65.7 | 163.3 | 0 | 0 | 0 | 110.4 | D465 Q466 R467 A473 L580 M584 T593 I594 | D465-I469 WeakPolarHBondContact O-CD1 3.27Å; D465-I469 WeakPolarHBondContact O-CG1 3.42Å; D465-I469 PolarHBondContact O-N 3.21Å; Q466-I469 PolarHBondContact O-N 2.66Å; R467-I469 VanDerWaalsContact C-N 3.33Å; R467-I469 PolarHBondContact O-N 3.11Å; I469-A473 VanDerWaalsContact O-CB 3.25Å; I469-A473 WeakPolarHBondContact O-CB 3.35Å; I469-A473 PolarHBondContact O-N 3.24Å; I469-L580 HydrophobicContact CG1-CD1 4.19Å; I469-L580 HydrophobicContact CG1-CD2 4.33Å; I469-M584 HydrophobicContact CD1-CE 3.63Å; I469-M584 HydrophobicContact CD1-SD 3.88Å; I469-M584 HydrophobicContact CG1-CE 4.2Å; I469-M584 HydrophobicContact CG1-SD 3.72Å; I469-T593 HydrophobicContact CG2-CG2 3.81Å; I469-I594 HydrophobicContact CD1-CD1 4.46Å; I469-I594 HydrophobicContact CD1-CG1 4.15Å; I469-I594 HydrophobicContact CG1-CD1 4.12Å; I469-I594 HydrophobicContact CG1-CG1 4.34Å; I469-I594 HydrophobicContact CG2-CD1 3.89Å; I469-I594 HydrophobicContact CG2-CG1 4.02Å |
| 470 | Q | 94.4 | Very high | 92.2 | Very high | 79 Ų | 79 | 47.9 Ų | 47.9 | 37% | 0.369 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.2 | -49.2 | -178 | -175.5 | 60.6 | 30.3 | 0 | 0 | 111.5 | Q466 R467 V472 A473 E474 | Q466-Q470 WeakPolarHBondContact O-CB 3.46Å; Q466-Q470 PolarHBondContact O-N 3.25Å; R467-Q470 PolarHBondContact O-N 3.22Å; Q470-V472 PolarHBondContact O-N 2.83Å; Q470-A473 PolarHBondContact O-N 3.41Å; Q470-E474 VanDerWaalsContact CG-OE1 3.31Å; Q470-E474 WeakPolarHBondContact CG-OE1 3.27Å; Q470-E474 PolarHBondContact NE2-OE1 2.98Å; Q470-E474 VanDerWaalsContact O-CG 3.31Å; Q470-E474 WeakPolarHBondContact O-CG 3.46Å; Q470-E474 PolarHBondContact O-N 2.9Å |
| 471 | T | 95 | Very high | 91.6 | Very high | 20 Ų | 20 | 51 Ų | 51 | 12% | 0.123 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.1 | -44.8 | -179.9 | -63.4 | 0 | 0 | 0 | 0 | 112.1 | Q438 L458 I462 R467 E474 I475 | Q438-T471 HydrophobicContact CG-CG2 4.2Å; Q438-T471 VanDerWaalsContact NE2-CG2 3.27Å; L458-T471 HydrophobicContact CD2-CG2 4.09Å; I462-T471 HydrophobicContact CD1-CG2 4.21Å; R467-T471 WeakPolarHBondContact O-CB 3.34Å; R467-T471 PolarHBondContact O-N 3.12Å; R467-T471 PolarHBondContact O-OG1 3.26Å; R467-T471 VanDerWaalsContact O-OG1 3.06Å; T471-E474 PolarHBondContact O-N 3.24Å; T471-I475 HydrophobicContact CG2-CD1 4.06Å; T471-I475 VanDerWaalsContact O-CG1 3.27Å; T471-I475 WeakPolarHBondContact O-CG1 3.35Å; T471-I475 PolarHBondContact O-N 3.4Å; T471-I475 VanDerWaalsContact O-N 3.08Å |
| 472 | V | 95.8 | Very high | 90 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.9 | -37.9 | 178.4 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | L459 R468 Q470 I475 I476 M576 L580 | L459-V472 HydrophobicContact CD2-CG2 3.96Å; R468-V472 WeakPolarHBondContact O-CG2 3.33Å; R468-V472 PolarHBondContact O-N 3.22Å; Q470-V472 PolarHBondContact O-N 2.83Å; V472-I475 PolarHBondContact O-N 3.48Å; V472-I476 HydrophobicContact CG1-CD1 3.76Å; V472-I476 HydrophobicContact CG1-CG1 4.33Å; V472-I476 WeakPolarHBondContact O-CB 3.04Å; V472-I476 VanDerWaalsContact O-CG1 3.27Å; V472-I476 WeakPolarHBondContact O-CG1 3.31Å; V472-I476 PolarHBondContact O-N 2.89Å; V472-M576 HydrophobicContact CG1-CB 4.18Å; V472-L580 HydrophobicContact CB-CD2 4.06Å; V472-L580 HydrophobicContact CG1-CB 4.28Å; V472-L580 HydrophobicContact CG1-CD2 4.02Å; V472-L580 HydrophobicContact CG2-CB 4.42Å; V472-L580 HydrophobicContact CG2-CD1 4.32Å |
| 473 | A | 94.4 | Very high | 88.2 | Confident | 16 Ų | 16 | 57.3 Ų | 57.3 | 13% | 0.132 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.2 | -39.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I469 Q470 I476 S477 T593 L597 | I469-A473 VanDerWaalsContact O-CB 3.25Å; I469-A473 WeakPolarHBondContact O-CB 3.35Å; I469-A473 PolarHBondContact O-N 3.24Å; Q470-A473 PolarHBondContact O-N 3.41Å; A473-I476 PolarHBondContact O-N 3.42Å; A473-S477 WeakPolarHBondContact O-CB 3.37Å; A473-S477 PolarHBondContact O-N 2.97Å; A473-T593 HydrophobicContact CB-CG2 3.59Å; A473-L597 HydrophobicContact CB-CD1 4.24Å |
| 474 | E | 94.5 | Very high | 86.1 | Confident | 93 Ų | 93 | 60.8 Ų | 60.8 | 44% | 0.435 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.5 | -51.2 | 173.7 | -74.2 | 165.7 | -179 | 0 | 0 | 110.8 | Q470 T471 I476 S477 D478 | Q470-E474 VanDerWaalsContact CG-OE1 3.31Å; Q470-E474 WeakPolarHBondContact CG-OE1 3.27Å; Q470-E474 PolarHBondContact NE2-OE1 2.98Å; Q470-E474 VanDerWaalsContact O-CG 3.31Å; Q470-E474 WeakPolarHBondContact O-CG 3.46Å; Q470-E474 PolarHBondContact O-N 2.9Å; T471-E474 PolarHBondContact O-N 3.24Å; E474-I476 VanDerWaalsContact C-N 3.33Å; E474-I476 PolarHBondContact O-N 3.49Å; E474-S477 WeakPolarHBondContact O-CA 3.26Å; E474-S477 VanDerWaalsContact O-CB 3.3Å; E474-S477 WeakPolarHBondContact O-CB 3.45Å; E474-S477 PolarHBondContact O-N 3.23Å; E474-D478 VanDerWaalsContact O-CG 3.28Å; E474-D478 PolarHBondContact O-N 2.7Å |
| 475 | I | 95.1 | Very high | 83.7 | Confident | 8 Ų | 8 | 65.7 Ų | 65.7 | 4% | 0.041 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60 | -42.7 | 177.8 | -61.9 | 163.4 | 0 | 0 | 0 | 111.4 | Q438 L441 L458 T471 V472 S477 D478 V479 M576 | Q438-I475 HydrophobicContact CB-CD1 4.47Å; Q438-I475 HydrophobicContact CG-CD1 4.16Å; L441-I475 HydrophobicContact CB-CD1 4.39Å; L441-I475 HydrophobicContact CB-CG2 3.83Å; L441-I475 HydrophobicContact CD1-CD1 4.21Å; L458-I475 HydrophobicContact CD2-CD1 3.79Å; T471-I475 HydrophobicContact CG2-CD1 4.06Å; T471-I475 VanDerWaalsContact O-CG1 3.27Å; T471-I475 WeakPolarHBondContact O-CG1 3.35Å; T471-I475 PolarHBondContact O-N 3.4Å; T471-I475 VanDerWaalsContact O-N 3.08Å; V472-I475 PolarHBondContact O-N 3.48Å; I475-S477 VanDerWaalsContact C-N 3.28Å; I475-S477 PolarHBondContact O-N 2.94Å; I475-D478 PolarHBondContact O-N 3.18Å; I475-V479 HydrophobicContact CG2-CG2 4.29Å; I475-V479 WeakPolarHBondContact O-CB 3.45Å; I475-V479 VanDerWaalsContact O-CG2 3.26Å; I475-V479 WeakPolarHBondContact O-CG2 3.49Å; I475-V479 PolarHBondContact O-N 3.45Å; I475-M576 HydrophobicContact CG2-CE 4.13Å; I475-M576 HydrophobicContact CG2-SD 3.76Å |
| 476 | I | 94.1 | Very high | 81.3 | Confident | 4 Ų | 4 | 68.9 Ų | 68.9 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 176.3 | -73.1 | 169 | 0 | 0 | 0 | 110.6 | V472 A473 E474 R480 C573 M576 C577 L597 L601 | V472-I476 HydrophobicContact CG1-CD1 3.76Å; V472-I476 HydrophobicContact CG1-CG1 4.33Å; V472-I476 WeakPolarHBondContact O-CB 3.04Å; V472-I476 VanDerWaalsContact O-CG1 3.27Å; V472-I476 WeakPolarHBondContact O-CG1 3.31Å; V472-I476 PolarHBondContact O-N 2.89Å; A473-I476 PolarHBondContact O-N 3.42Å; E474-I476 VanDerWaalsContact C-N 3.33Å; E474-I476 PolarHBondContact O-N 3.49Å; I476-R480 WeakPolarHBondContact O-CB 3.44Å; I476-R480 VanDerWaalsContact O-CG 3.3Å; I476-R480 WeakPolarHBondContact O-CG 3.31Å; I476-R480 PolarHBondContact O-N 2.89Å; I476-R480 VanDerWaalsContact O-N 3.12Å; I476-C573 HydrophobicContact CG1-CB 4.3Å; I476-C573 HydrophobicContact CG2-CB 4.12Å; I476-M576 HydrophobicContact CD1-CB 4.49Å; I476-M576 HydrophobicContact CG1-CB 4.47Å; I476-M576 HydrophobicContact CG1-CE 3.82Å; I476-C577 HydrophobicContact CD1-CB 4.24Å; I476-L597 HydrophobicContact CD1-CD2 4.08Å; I476-L597 HydrophobicContact CG2-CD2 4.18Å; I476-L601 HydrophobicContact CD1-CD2 4.34Å; I476-L601 HydrophobicContact CG2-CD2 4.26Å |
| 477 | S | 91.4 | Very high | 78.7 | Confident | 79 Ų | 79 | 69.6 Ų | 69.6 | 55% | 0.552 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -62.8 | -47.6 | 177.1 | -169.4 | 0 | 0 | 0 | 0 | 111.2 | A473 E474 I475 V479 R480 E481 | A473-S477 WeakPolarHBondContact O-CB 3.37Å; A473-S477 PolarHBondContact O-N 2.97Å; E474-S477 WeakPolarHBondContact O-CA 3.26Å; E474-S477 VanDerWaalsContact O-CB 3.3Å; E474-S477 WeakPolarHBondContact O-CB 3.45Å; E474-S477 PolarHBondContact O-N 3.23Å; I475-S477 VanDerWaalsContact C-N 3.28Å; I475-S477 PolarHBondContact O-N 2.94Å; S477-V479 PolarHBondContact O-N 3.13Å; S477-R480 CarbonylContact O-C 3.55Å; S477-R480 PolarHBondContact O-N 3Å; S477-E481 PolarHBondContact O-N 3.29Å |
| 478 | D | 90.1 | Very high | 76.2 | Confident | 90 Ų | 90 | 70 Ų | 70 | 48% | 0.481 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.6 | -42.6 | -179.6 | -64.2 | -13 | 0 | 0 | 0 | 111.6 | E474 I475 R480 E481 | E474-D478 VanDerWaalsContact O-CG 3.28Å; E474-D478 PolarHBondContact O-N 2.7Å; I475-D478 PolarHBondContact O-N 3.18Å; D478-R480 VanDerWaalsContact C-N 3.3Å; D478-R480 PolarHBondContact O-N 2.98Å; D478-E481 WeakPolarHBondContact O-CB 3.23Å; D478-E481 PolarHBondContact O-N 3.25Å |
| 479 | V | 89.5 | Confident | 73.9 | Confident | 4 Ų | 4 | 74 Ų | 74 | 2% | 0.024 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.4 | -35.5 | 178.6 | 169.4 | 0 | 0 | 0 | 0 | 111.6 | I475 S477 E481 T569 M576 | I475-V479 HydrophobicContact CG2-CG2 4.29Å; I475-V479 WeakPolarHBondContact O-CB 3.45Å; I475-V479 VanDerWaalsContact O-CG2 3.26Å; I475-V479 WeakPolarHBondContact O-CG2 3.49Å; I475-V479 PolarHBondContact O-N 3.45Å; S477-V479 PolarHBondContact O-N 3.13Å; V479-E481 VanDerWaalsContact C-N 3.32Å; V479-T569 HydrophobicContact CG1-CG2 3.88Å; V479-M576 HydrophobicContact CG2-CE 4.46Å |
| 480 | R | 87.2 | Confident | 72 | Confident | 17 Ų | 17 | 79.6 Ų | 79.6 | 6% | 0.064 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -84.3 | -5.7 | 179.3 | -67.6 | -177.3 | 74.8 | -149.6 | -3.1 | 113.5 | I476 S477 D478 E563 K564 N565 T569 | I476-R480 WeakPolarHBondContact O-CB 3.44Å; I476-R480 VanDerWaalsContact O-CG 3.3Å; I476-R480 WeakPolarHBondContact O-CG 3.31Å; I476-R480 PolarHBondContact O-N 2.89Å; I476-R480 VanDerWaalsContact O-N 3.12Å; S477-R480 CarbonylContact O-C 3.55Å; S477-R480 PolarHBondContact O-N 3Å; D478-R480 VanDerWaalsContact C-N 3.3Å; D478-R480 PolarHBondContact O-N 2.98Å; R480-E563 IonicContact CZ-OE2 4Å; R480-E563 IonicContact NE-OE2 2.66Å; R480-E563 IonicContact NH1-OE2 3.19Å; R480-E563 PolarHBondContact NH1-OE2 2.99Å; R480-E563 IonicContact NH2-OE2 3.38Å; R480-E563 PolarHBondContact NH2-OE2 3.35Å; R480-K564 PolarHBondContact O-N 3.44Å; R480-N565 PolarHBondContact NH2-OD1 2.72Å; R480-T569 HydrophobicContact CG-CG2 4.29Å |
| 481 | E | 81.1 | Confident | 70.2 | Confident | 130 Ų | 130 | 80.3 Ų | 80.3 | 61% | 0.607 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -59.8 | 128.1 | 176.4 | -163 | 176.3 | -162.9 | 0 | 0 | 109.8 | S477 D478 V479 I483 K564 | S477-E481 PolarHBondContact O-N 3.29Å; D478-E481 WeakPolarHBondContact O-CB 3.23Å; D478-E481 PolarHBondContact O-N 3.25Å; V479-E481 VanDerWaalsContact C-N 3.32Å; E481-I483 PolarHBondContact O-N 3.48Å; E481-K564 WeakPolarHBondContact O-CE 3.48Å; E481-K564 PolarHBondContact O-NZ 3.03Å |
| 482 | P | 59.8 | Low | 68.4 | Low | 42 Ų | 42 | 87 Ų | 87 | 27% | 0.273 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 134.1 | -178.9 | 22.1 | -30.2 | 0 | 0 | 0 | 110.6 | M484 L561 | P482-M484 PolarHBondContact O-N 2.86Å; P482-L561 HydrophobicContact CB-CD2 4.23Å; P482-L561 HydrophobicContact CG-CB 4.06Å; P482-L561 HydrophobicContact CG-CD2 3.71Å; P482-L561 HydrophobicContact CG-CG 4.48Å |
| 483 | I | 55 | Low | 66.9 | Low | 122 Ų | 122 | 91.9 Ų | 91.9 | 63% | 0.626 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 122.5 | 169.5 | -67.5 | 156.9 | 0 | 0 | 0 | 106.2 | E481 E485 K564 | E481-I483 PolarHBondContact O-N 3.48Å; I483-E485 VanDerWaalsContact C-N 3.27Å; I483-E485 PolarHBondContact O-N 2.72Å; I483-K564 VanDerWaalsContact CD1-CE 3.5Å; I483-K564 VanDerWaalsContact CG1-CE 3.44Å |
| 484 | M | 43.2 | Very low | 65.5 | Low | 172 Ų | 172 | 99 Ų | 99 | 85% | 0.847 | 53% | 0.527 | S | S | * | . | trans | -63.7 | 90.4 | 171.9 | -162.2 | 176.6 | 74.8 | 0 | 0 | 108.2 | P482 A486 | P482-M484 PolarHBondContact O-N 2.86Å; M484-A486 PolarHBondContact O-N 2.61Å | ||
| 485 | E | 39.4 | Very low | 64.1 | Low | 175 Ų | 175 | 96.9 Ų | 96.9 | 82% | 0.818 | 52% | 0.522 | S | S | * | . | trans | -63 | 111.3 | 164.9 | -77.6 | -169 | 171.9 | 0 | 0 | 106.5 | I483 S487 | I483-E485 VanDerWaalsContact C-N 3.27Å; I483-E485 PolarHBondContact O-N 2.72Å; E485-S487 PolarHBondContact O-N 2.82Å | ||
| 486 | A | 36.5 | Very low | 63 | Low | 87 Ų | 87 | 105.2 Ų | 105.2 | 72% | 0.719 | 55% | 0.553 | S | S | * | * | trans | -54.3 | 115.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | M484 Q488 | M484-A486 PolarHBondContact O-N 2.61Å; A486-Q488 PolarHBondContact O-N 2.93Å; A486-Q488 VanDerWaalsContact O-N 3.12Å | ||
| 487 | S | 37 | Very low | 62.2 | Low | 111 Ų | 111 | 113.7 Ų | 113.7 | 78% | 0.776 | 59% | 0.585 | S | S | * | * | trans | -33.5 | 118.8 | 175.6 | 52.8 | 0 | 0 | 0 | 0 | 110.2 | E485 | E485-S487 PolarHBondContact O-N 2.82Š| ||
| 488 | Q | 39.1 | Very low | 61.5 | Low | 180 Ų | 180 | 110.9 Ų | 110.9 | 84% | 0.841 | 56% | 0.563 | S | S | * | * | trans | -48.9 | 129.8 | 170.4 | -73.6 | -176.6 | -5 | 0 | 0 | 107.7 | A486 V490 | A486-Q488 PolarHBondContact O-N 2.93Å; A486-Q488 VanDerWaalsContact O-N 3.12Å; Q488-V490 PolarHBondContact O-N 3.49Å | ||
| 489 | P | 45.6 | Very low | 60.9 | Low | 122 Ų | 122 | 112.7 Ų | 112.7 | 79% | 0.792 | 57% | 0.569 | S | S | * | * | trans | -58.2 | 121.7 | 177.6 | 23.8 | -30.7 | 0 | 0 | 0 | 107.1 | D491 | P489-D491 PolarHBondContact O-N 3.43Å; P489-D491 VanDerWaalsContact O-N 3.09Å | ||
| 490 | V | 53.7 | Low | 60.5 | Low | 119 Ų | 119 | 116.6 Ų | 116.6 | 72% | 0.721 | 59% | 0.592 | S | S | * | * | trans | -45.7 | 121.6 | 171.8 | 178.3 | 0 | 0 | 0 | 0 | 107.1 | Q488 E492 | Q488-V490 PolarHBondContact O-N 3.49Å; V490-E492 VanDerWaalsContact C-N 3.29Å; V490-E492 PolarHBondContact O-N 3.34Å | ||
| 491 | D | 57.2 | Low | 60.2 | Low | 94 Ų | 94 | 120.5 Ų | 120.5 | 50% | 0.503 | 61% | 0.611 | S | S | . | * | trans | -63.1 | 92.6 | 178.7 | -177 | 8.6 | 0 | 0 | 0 | 108.8 | P489 N493 R494 S495 | P489-D491 PolarHBondContact O-N 3.43Å; P489-D491 VanDerWaalsContact O-N 3.09Å; D491-N493 PolarHBondContact O-N 3.44Å; D491-N493 WeakPolarHBondContact OD1-CB 3.46Å; D491-N493 PolarHBondContact OD1-N 3.13Å; D491-N493 PolarHBondContact OD1-ND2 3.39Å; D491-R494 HydrophobicContact CB-CB 4.26Å; D491-R494 WeakPolarHBondContact O-CB 3.45Å; D491-R494 PolarHBondContact O-N 2.94Å; D491-S495 PolarHBondContact O-N 3.43Å | ||
| 492 | E | 57.5 | Low | 60.3 | Low | 162 Ų | 162 | 115.3 Ų | 115.3 | 76% | 0.757 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -53.4 | -27 | -178.2 | -69.4 | -173.6 | 159 | 0 | 0 | 111.3 | V490 R496 | V490-E492 VanDerWaalsContact C-N 3.29Å; V490-E492 PolarHBondContact O-N 3.34Å; E492-R496 VanDerWaalsContact O-CB 3.22Å; E492-R496 WeakPolarHBondContact O-CB 3.19Å; E492-R496 PolarHBondContact O-N 2.97Å |
| 493 | N | 63.8 | Low | 61.3 | Low | 102 Ų | 102 | 115.8 Ų | 115.8 | 55% | 0.545 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -69 | -34.4 | 176.9 | -61.2 | -57.3 | 0 | 0 | 0 | 112.6 | D491 R497 | D491-N493 PolarHBondContact O-N 3.44Å; D491-N493 WeakPolarHBondContact OD1-CB 3.46Å; D491-N493 PolarHBondContact OD1-N 3.13Å; D491-N493 PolarHBondContact OD1-ND2 3.39Å; N493-R497 WeakPolarHBondContact O-CB 3.24Å; N493-R497 VanDerWaalsContact O-CG 3.23Å; N493-R497 WeakPolarHBondContact O-CG 3.4Å; N493-R497 PolarHBondContact O-N 3.03Å |
| 494 | R | 65.6 | Low | 62.6 | Low | 166 Ų | 166 | 114.5 Ų | 114.5 | 63% | 0.626 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -71.9 | -45.5 | 178 | -169.1 | 176.8 | -178.6 | -176.8 | -0.5 | 110.9 | D491 R496 R497 Q498 | D491-R494 HydrophobicContact CB-CB 4.26Å; D491-R494 WeakPolarHBondContact O-CB 3.45Å; D491-R494 PolarHBondContact O-N 2.94Å; R494-R496 VanDerWaalsContact C-N 3.35Å; R494-R496 PolarHBondContact O-N 3.09Å; R494-R497 PolarHBondContact O-N 3.23Å; R494-Q498 WeakPolarHBondContact O-CG 3.45Å; R494-Q498 PolarHBondContact O-N 2.68Å |
| 495 | S | 64.6 | Low | 64.7 | Low | 48 Ų | 48 | 107.1 Ų | 107.1 | 34% | 0.336 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.6 | -42.4 | 175.9 | -171.4 | 0 | 0 | 0 | 0 | 111.8 | D491 Q498 Q499 | D491-S495 PolarHBondContact O-N 3.43Å; S495-Q498 PolarHBondContact O-N 3.26Å; S495-Q499 WeakPolarHBondContact O-CG 3.49Å; S495-Q499 PolarHBondContact O-N 3.26Å |
| 496 | R | 72.3 | Confident | 66.8 | Low | 183 Ų | 183 | 103.9 Ų | 103.9 | 69% | 0.691 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.7 | -39.6 | 175.7 | -175.3 | 176.3 | 148.8 | 165.4 | -5.2 | 112.7 | E492 R494 Q499 V500 | E492-R496 VanDerWaalsContact O-CB 3.22Å; E492-R496 WeakPolarHBondContact O-CB 3.19Å; E492-R496 PolarHBondContact O-N 2.97Å; R494-R496 VanDerWaalsContact C-N 3.35Å; R494-R496 PolarHBondContact O-N 3.09Å; R496-Q499 PolarHBondContact O-N 3.24Å; R496-V500 VanDerWaalsContact O-CG2 3.26Å; R496-V500 WeakPolarHBondContact O-CG2 3.38Å; R496-V500 PolarHBondContact O-N 3.21Å |
| 497 | R | 77.4 | Confident | 69.1 | Low | 183 Ų | 183 | 103.5 Ų | 103.5 | 69% | 0.691 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63 | -43.1 | 175.1 | -78.4 | 173.4 | -174.9 | -177.6 | 4.3 | 112 | N493 R494 V500 Q501 | N493-R497 WeakPolarHBondContact O-CB 3.24Å; N493-R497 VanDerWaalsContact O-CG 3.23Å; N493-R497 WeakPolarHBondContact O-CG 3.4Å; N493-R497 PolarHBondContact O-N 3.03Å; R494-R497 PolarHBondContact O-N 3.23Å; R497-V500 PolarHBondContact O-N 3.09Å; R497-Q501 WeakPolarHBondContact O-CG 3.46Å; R497-Q501 PolarHBondContact O-N 2.9Å |
| 498 | Q | 75.8 | Confident | 71.4 | Confident | 19 Ų | 19 | 104.1 Ų | 104.1 | 9% | 0.089 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -66.9 | -38.8 | 178.3 | -70.7 | 170.4 | -38.9 | 0 | 0 | 112.1 | R494 S495 Q501 L502 I549 | R494-Q498 WeakPolarHBondContact O-CG 3.45Å; R494-Q498 PolarHBondContact O-N 2.68Å; S495-Q498 PolarHBondContact O-N 3.26Å; Q498-Q501 PolarHBondContact O-N 3.05Å; Q498-L502 WeakPolarHBondContact O-CB 3.49Å; Q498-L502 PolarHBondContact O-N 3.15Å; Q498-I549 HydrophobicContact CB-CD1 4.26Å; Q498-I549 HydrophobicContact CB-CG1 3.93Å |
| 499 | Q | 77.3 | Confident | 73.7 | Confident | 129 Ų | 129 | 96.4 Ų | 96.4 | 60% | 0.603 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64.4 | -39.5 | 173.4 | -77 | -177.1 | 2.6 | 0 | 0 | 112.9 | S495 R496 L502 A503 | S495-Q499 WeakPolarHBondContact O-CG 3.49Å; S495-Q499 PolarHBondContact O-N 3.26Å; R496-Q499 PolarHBondContact O-N 3.24Å; Q499-L502 PolarHBondContact O-N 3.25Å; Q499-A503 PolarHBondContact O-N 3.29Å |
| 500 | V | 81.5 | Confident | 75.3 | Confident | 85 Ų | 85 | 97.3 Ų | 97.3 | 52% | 0.515 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.3 | -44.1 | 176.4 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | R496 R497 L502 A503 E504 | R496-V500 VanDerWaalsContact O-CG2 3.26Å; R496-V500 WeakPolarHBondContact O-CG2 3.38Å; R496-V500 PolarHBondContact O-N 3.21Å; R497-V500 PolarHBondContact O-N 3.09Å; V500-L502 PolarHBondContact O-N 3.37Å; V500-A503 PolarHBondContact O-N 3.29Å; V500-E504 PolarHBondContact O-N 3.25Å |
| 501 | Q | 80.6 | Confident | 76.8 | Confident | 99 Ų | 99 | 97.1 Ų | 97.1 | 46% | 0.463 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.3 | -42 | 175.6 | -75.4 | 177.2 | -11 | 0 | 0 | 112 | R497 Q498 A503 E504 V505 | R497-Q501 WeakPolarHBondContact O-CG 3.46Å; R497-Q501 PolarHBondContact O-N 2.9Å; Q498-Q501 PolarHBondContact O-N 3.05Å; Q501-A503 VanDerWaalsContact C-N 3.33Å; Q501-A503 PolarHBondContact O-N 3.02Å; Q501-E504 PolarHBondContact O-N 3.48Å; Q501-V505 WeakPolarHBondContact O-CG2 3.5Å; Q501-V505 PolarHBondContact O-N 2.93Å |
| 502 | L | 83.8 | Confident | 78.1 | Confident | 22 Ų | 22 | 93.1 Ų | 93.1 | 12% | 0.115 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 176.2 | -177.2 | 63 | 0 | 0 | 0 | 112.3 | Q498 Q499 V500 K506 R542 V545 L546 I549 | Q498-L502 WeakPolarHBondContact O-CB 3.49Å; Q498-L502 PolarHBondContact O-N 3.15Å; Q499-L502 PolarHBondContact O-N 3.25Å; V500-L502 PolarHBondContact O-N 3.37Å; L502-K506 WeakPolarHBondContact O-CB 3.37Å; L502-K506 WeakPolarHBondContact O-CG 3.45Å; L502-K506 PolarHBondContact O-N 3.48Å; L502-K506 VanDerWaalsContact O-N 3.14Å; L502-R542 HydrophobicContact CD1-CG 4Å; L502-V545 HydrophobicContact CB-CG1 3.96Å; L502-V545 HydrophobicContact CD1-CG1 4.31Å; L502-L546 HydrophobicContact CD1-CD1 4.49Å; L502-L546 HydrophobicContact CD1-CG 4.01Å; L502-L546 HydrophobicContact CD2-CD2 4.19Å; L502-I549 HydrophobicContact CB-CD1 4.26Å; L502-I549 HydrophobicContact CD2-CD1 3.93Å |
| 503 | A | 80 | Confident | 79.4 | Confident | 52 Ų | 52 | 89.3 Ų | 89.3 | 43% | 0.43 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.4 | -42.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q499 V500 Q501 K506 V507 | Q499-A503 PolarHBondContact O-N 3.29Å; V500-A503 PolarHBondContact O-N 3.29Å; Q501-A503 VanDerWaalsContact C-N 3.33Å; Q501-A503 PolarHBondContact O-N 3.02Å; A503-K506 PolarHBondContact O-N 3.44Å; A503-V507 WeakPolarHBondContact O-CG2 3.21Å; A503-V507 PolarHBondContact O-N 2.91Å |
| 504 | E | 83.9 | Confident | 80.3 | Confident | 94 Ų | 94 | 89 Ų | 89 | 44% | 0.439 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 178.6 | -172.8 | 175.3 | -175.8 | 0 | 0 | 112.2 | V500 Q501 K506 V507 R508 | V500-E504 PolarHBondContact O-N 3.25Å; Q501-E504 PolarHBondContact O-N 3.48Å; E504-K506 VanDerWaalsContact C-N 3.32Å; E504-K506 PolarHBondContact O-N 3.44Å; E504-V507 PolarHBondContact O-N 2.93Å; E504-R508 WeakPolarHBondContact O-CG 3.48Å; E504-R508 PolarHBondContact O-N 3.3Å; E504-R508 VanDerWaalsContact O-N 3.09Å; E504-R508 IonicContact OE1-CZ 3.44Å; E504-R508 IonicContact OE1-NE 3.71Å; E504-R508 IonicContact OE1-NH2 2.66Å; E504-R508 PolarHBondContact OE1-NH2 2.72Å |
| 505 | V | 86 | Confident | 81.2 | Confident | 17 Ų | 17 | 85 Ų | 85 | 10% | 0.103 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.5 | -38.5 | 176.8 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | Q501 L509 L538 Q541 R542 | Q501-V505 WeakPolarHBondContact O-CG2 3.5Å; Q501-V505 PolarHBondContact O-N 2.93Å; V505-L509 VanDerWaalsContact O-CB 3.24Å; V505-L509 WeakPolarHBondContact O-CB 3.5Å; V505-L509 PolarHBondContact O-N 3.22Å; V505-L538 HydrophobicContact CG1-CD2 4.49Å; V505-L538 WeakPolarHBondContact CG1-O 3.45Å; V505-Q541 HydrophobicContact CG1-CB 4.42Å; V505-R542 HydrophobicContact CG1-CB 3.88Å |
| 506 | K | 82.9 | Confident | 82.2 | Confident | 108 Ų | 108 | 83.8 Ų | 83.8 | 47% | 0.47 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 175.9 | -79.9 | -179.6 | -179.8 | 179.6 | 0 | 113 | L502 A503 E504 L509 M510 | L502-K506 WeakPolarHBondContact O-CB 3.37Å; L502-K506 WeakPolarHBondContact O-CG 3.45Å; L502-K506 PolarHBondContact O-N 3.48Å; L502-K506 VanDerWaalsContact O-N 3.14Å; A503-K506 PolarHBondContact O-N 3.44Å; E504-K506 VanDerWaalsContact C-N 3.32Å; E504-K506 PolarHBondContact O-N 3.44Å; K506-L509 PolarHBondContact O-N 2.89Å; K506-M510 PolarHBondContact O-N 2.68Å |
| 507 | V | 86.1 | Confident | 82.5 | Confident | 78 Ų | 78 | 80.8 Ų | 80.8 | 47% | 0.473 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.8 | -50.5 | 177.8 | 171.6 | 0 | 0 | 0 | 0 | 110.3 | A503 E504 L509 M510 E511 | A503-V507 WeakPolarHBondContact O-CG2 3.21Å; A503-V507 PolarHBondContact O-N 2.91Å; E504-V507 PolarHBondContact O-N 2.93Å; V507-L509 PolarHBondContact O-N 3.5Å; V507-M510 WeakPolarHBondContact O-CB 3.4Å; V507-M510 PolarHBondContact O-N 3.11Å; V507-E511 HydrophobicContact CG1-CG 4.44Å; V507-E511 WeakPolarHBondContact O-CG 3.45Å; V507-E511 PolarHBondContact O-N 3.46Å |
| 508 | R | 85.1 | Confident | 82.7 | Confident | 125 Ų | 125 | 76.3 Ų | 76.3 | 47% | 0.472 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59 | -34.9 | 178.1 | -68.1 | -178.7 | -173.6 | -174.1 | 2.3 | 112.6 | E504 A512 L538 | E504-R508 WeakPolarHBondContact O-CG 3.48Å; E504-R508 PolarHBondContact O-N 3.3Å; E504-R508 VanDerWaalsContact O-N 3.09Å; E504-R508 IonicContact OE1-CZ 3.44Å; E504-R508 IonicContact OE1-NE 3.71Å; E504-R508 IonicContact OE1-NH2 2.66Å; E504-R508 PolarHBondContact OE1-NH2 2.72Å; R508-A512 VanDerWaalsContact O-CB 3.29Å; R508-A512 WeakPolarHBondContact O-CB 3.4Å; R508-A512 PolarHBondContact O-N 3.04Å; R508-L538 HydrophobicContact CB-CD1 4.18Å; R508-L538 HydrophobicContact CB-CD2 4.27Å |
| 509 | L | 86.8 | Confident | 83.1 | Confident | 17 Ų | 17 | 76.1 Ų | 76.1 | 9% | 0.089 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -71.4 | -33.9 | 177 | -174.7 | 148.6 | 0 | 0 | 0 | 112.5 | V505 K506 V507 K513 L538 E539 | V505-L509 VanDerWaalsContact O-CB 3.24Å; V505-L509 WeakPolarHBondContact O-CB 3.5Å; V505-L509 PolarHBondContact O-N 3.22Å; K506-L509 PolarHBondContact O-N 2.89Å; V507-L509 PolarHBondContact O-N 3.5Å; L509-K513 HydrophobicContact CD2-CD 3.85Å; L509-K513 WeakPolarHBondContact O-CB 3.39Å; L509-K513 VanDerWaalsContact O-CG 3.23Å; L509-K513 WeakPolarHBondContact O-CG 3.25Å; L509-K513 PolarHBondContact O-N 3.16Å; L509-K513 VanDerWaalsContact O-N 3.12Å; L509-L538 HydrophobicContact CB-CB 4.37Å; L509-L538 HydrophobicContact CD1-CB 4.13Å; L509-E539 HydrophobicContact CD1-CB 4.41Å; L509-E539 HydrophobicContact CD1-CG 3.47Å; L509-E539 VanDerWaalsContact CD1-CG 3.47Å |
| 510 | M | 79.8 | Confident | 83 | Confident | 142 Ų | 142 | 74 Ų | 74 | 70% | 0.7 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -68.9 | -44.6 | 171.2 | -83.4 | -179.5 | 154.9 | 0 | 0 | 111.7 | K506 V507 K513 Q514 | K506-M510 PolarHBondContact O-N 2.68Å; V507-M510 WeakPolarHBondContact O-CB 3.4Å; V507-M510 PolarHBondContact O-N 3.11Å; M510-K513 PolarHBondContact O-N 3.42Å; M510-Q514 PolarHBondContact O-N 2.85Å |
| 511 | E | 85.3 | Confident | 82.9 | Confident | 114 Ų | 114 | 74 Ų | 74 | 53% | 0.533 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60 | -48.8 | 176.5 | -69.6 | 172.8 | 162.8 | 0 | 0 | 111 | V507 K513 Q514 D515 | V507-E511 HydrophobicContact CG1-CG 4.44Å; V507-E511 WeakPolarHBondContact O-CG 3.45Å; V507-E511 PolarHBondContact O-N 3.46Å; E511-K513 VanDerWaalsContact C-N 3.3Å; E511-K513 PolarHBondContact O-N 3.21Å; E511-Q514 PolarHBondContact O-N 3.38Å; E511-Q514 VanDerWaalsContact O-N 3.17Å; E511-D515 WeakPolarHBondContact O-CB 3.48Å; E511-D515 PolarHBondContact O-N 3.39Å |
| 512 | A | 84.9 | Confident | 82.9 | Confident | 11 Ų | 11 | 72.9 Ų | 72.9 | 9% | 0.091 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.4 | -34.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | R508 L516 I535 L538 | R508-A512 VanDerWaalsContact O-CB 3.29Å; R508-A512 WeakPolarHBondContact O-CB 3.4Å; R508-A512 PolarHBondContact O-N 3.04Å; A512-L516 VanDerWaalsContact O-CB 3.28Å; A512-L516 WeakPolarHBondContact O-CB 3.46Å; A512-L516 PolarHBondContact O-N 2.84Å; A512-I535 HydrophobicContact CB-CD1 4.38Å; A512-I535 HydrophobicContact CB-CG1 3.72Å; A512-L538 HydrophobicContact CB-CD1 4.29Å |
| 513 | K | 83.9 | Confident | 82.8 | Confident | 81 Ų | 81 | 79 Ų | 79 | 35% | 0.352 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -69.7 | -39.1 | 174.4 | -78.4 | 179.7 | -175.9 | -171.6 | 0 | 112.1 | L509 M510 E511 L516 E517 I535 E539 | L509-K513 HydrophobicContact CD2-CD 3.85Å; L509-K513 WeakPolarHBondContact O-CB 3.39Å; L509-K513 VanDerWaalsContact O-CG 3.23Å; L509-K513 WeakPolarHBondContact O-CG 3.25Å; L509-K513 PolarHBondContact O-N 3.16Å; L509-K513 VanDerWaalsContact O-N 3.12Å; M510-K513 PolarHBondContact O-N 3.42Å; E511-K513 VanDerWaalsContact C-N 3.3Å; E511-K513 PolarHBondContact O-N 3.21Å; K513-L516 WeakPolarHBondContact O-CB 3.4Å; K513-L516 PolarHBondContact O-N 3.36Å; K513-E517 PolarHBondContact O-N 3.5Å; K513-I535 HydrophobicContact CG-CD1 3.8Å; K513-I535 HydrophobicContact CG-CG1 4.22Å; K513-I535 HydrophobicContact CG-CG2 4.38Å; K513-E539 IonicContact NZ-OE1 3.15Å; K513-E539 PolarHBondContact NZ-OE1 3.48Å |
| 514 | Q | 83.4 | Confident | 82.9 | Confident | 95 Ų | 95 | 79.3 Ų | 79.3 | 44% | 0.444 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.2 | -46.4 | 174.8 | -172.4 | 61.5 | 54.2 | 0 | 0 | 111.2 | M510 E511 L516 E517 D518 | M510-Q514 PolarHBondContact O-N 2.85Å; E511-Q514 PolarHBondContact O-N 3.38Å; E511-Q514 VanDerWaalsContact O-N 3.17Å; Q514-L516 PolarHBondContact O-N 2.75Å; Q514-E517 WeakPolarHBondContact O-CB 3.29Å; Q514-E517 PolarHBondContact O-N 2.88Å; Q514-E517 VanDerWaalsContact O-N 3.09Å; Q514-D518 PolarHBondContact NE2-OD1 2.95Å; Q514-D518 PolarHBondContact O-N 3.23Å |
| 515 | D | 83.9 | Confident | 82.7 | Confident | 84 Ų | 84 | 81.5 Ų | 81.5 | 45% | 0.449 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.3 | -34.4 | 176.4 | -73.9 | -11.9 | 0 | 0 | 0 | 111.5 | E511 D518 C519 L531 | E511-D515 WeakPolarHBondContact O-CB 3.48Å; E511-D515 PolarHBondContact O-N 3.39Å; D515-D518 PolarHBondContact O-N 3.24Å; D515-C519 WeakPolarHBondContact O-CB 3.23Å; D515-C519 PolarHBondContact O-N 3.38Å; D515-C519 PolarHBondContact O-SG 2.91Å; D515-L531 HydrophobicContact CB-CD1 3.94Å; D515-L531 HydrophobicContact CB-CD2 4.32Å |
| 516 | L | 84.6 | Confident | 82.3 | Confident | 22 Ų | 22 | 84.9 Ų | 84.9 | 12% | 0.115 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -66.2 | -44.6 | 173.8 | 176.1 | 64 | 0 | 0 | 0 | 111.3 | A512 K513 Q514 D518 C519 I520 A528 L531 K532 I535 | A512-L516 VanDerWaalsContact O-CB 3.28Å; A512-L516 WeakPolarHBondContact O-CB 3.46Å; A512-L516 PolarHBondContact O-N 2.84Å; K513-L516 WeakPolarHBondContact O-CB 3.4Å; K513-L516 PolarHBondContact O-N 3.36Å; Q514-L516 PolarHBondContact O-N 2.75Å; L516-D518 VanDerWaalsContact C-N 3.32Å; L516-D518 PolarHBondContact O-N 2.93Å; L516-C519 PolarHBondContact O-N 3.23Å; L516-I520 HydrophobicContact CD1-CD1 3.95Å; L516-I520 HydrophobicContact CD1-CG1 4.22Å; L516-I520 HydrophobicContact CG-CD1 3.82Å; L516-I520 HydrophobicContact CG-CG1 4.5Å; L516-I520 WeakPolarHBondContact O-CB 3.26Å; L516-I520 WeakPolarHBondContact O-CD1 3.47Å; L516-I520 WeakPolarHBondContact O-CG1 3.32Å; L516-I520 PolarHBondContact O-N 3.32Å; L516-A528 HydrophobicContact CD1-CB 3.65Å; L516-A528 WeakPolarHBondContact CD1-O 3.4Å; L516-L531 HydrophobicContact CB-CB 4.25Å; L516-L531 HydrophobicContact CB-CD1 4.48Å; L516-L531 HydrophobicContact CD1-CB 4.16Å; L516-K532 HydrophobicContact CD1-CG 4.13Å; L516-K532 HydrophobicContact CD2-CG 3.81Å; L516-I535 HydrophobicContact CB-CD1 4.09Å; L516-I535 HydrophobicContact CD2-CD1 3.62Å; L516-I535 HydrophobicContact CG-CD1 4.46Å |
| 517 | E | 80.3 | Confident | 82.1 | Confident | 120 Ų | 120 | 86.9 Ų | 86.9 | 56% | 0.561 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -60.7 | -42.2 | 175.1 | -75.3 | -178.8 | -175.3 | 0 | 0 | 111.5 | K513 Q514 I520 A521 | K513-E517 PolarHBondContact O-N 3.5Å; Q514-E517 WeakPolarHBondContact O-CB 3.29Å; Q514-E517 PolarHBondContact O-N 2.88Å; Q514-E517 VanDerWaalsContact O-N 3.09Å; E517-I520 PolarHBondContact O-N 2.57Å; E517-A521 WeakPolarHBondContact O-CB 3.48Å; E517-A521 PolarHBondContact O-N 3.08Å |
| 518 | D | 81.8 | Confident | 81.8 | Confident | 88 Ų | 88 | 83.6 Ų | 83.6 | 47% | 0.471 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.3 | -40.4 | 177.7 | -67.8 | -9.8 | 0 | 0 | 0 | 111.5 | Q514 D515 L516 A521 A522 | Q514-D518 PolarHBondContact NE2-OD1 2.95Å; Q514-D518 PolarHBondContact O-N 3.23Å; D515-D518 PolarHBondContact O-N 3.24Å; L516-D518 VanDerWaalsContact C-N 3.32Å; L516-D518 PolarHBondContact O-N 2.93Å; D518-A521 PolarHBondContact O-N 3.15Å; D518-A522 WeakPolarHBondContact O-CB 3.33Å; D518-A522 PolarHBondContact O-N 2.74Å |
| 519 | C | 82.8 | Confident | 81.5 | Confident | 16 Ų | 16 | 80 Ų | 80 | 11% | 0.108 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -67.1 | -37.2 | 174.7 | -70.3 | 0 | 0 | 0 | 0 | 112.5 | D515 L516 A522 Q523 D524 A528 L531 | D515-C519 WeakPolarHBondContact O-CB 3.23Å; D515-C519 PolarHBondContact O-N 3.38Å; D515-C519 PolarHBondContact O-SG 2.91Å; L516-C519 PolarHBondContact O-N 3.23Å; C519-A522 CarbonylContact O-C 3.27Å; C519-A522 PolarHBondContact O-N 2.9Å; C519-Q523 PolarHBondContact O-N 2.99Å; C519-Q523 VanDerWaalsContact O-N 3.16Å; C519-D524 PolarHBondContact O-N 3.01Å; C519-A528 HydrophobicContact CB-CB 4.22Å; C519-L531 HydrophobicContact CB-CD1 4.42Å |
| 520 | I | 76.3 | Confident | 81.3 | Confident | 85 Ų | 85 | 85.9 Ų | 85.9 | 44% | 0.436 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66 | -42.1 | 174.7 | -70.2 | 165.6 | 0 | 0 | 0 | 110.2 | L516 E517 A522 Q523 A528 | L516-I520 HydrophobicContact CD1-CD1 3.95Å; L516-I520 HydrophobicContact CD1-CG1 4.22Å; L516-I520 HydrophobicContact CG-CD1 3.82Å; L516-I520 HydrophobicContact CG-CG1 4.5Å; L516-I520 WeakPolarHBondContact O-CB 3.26Å; L516-I520 WeakPolarHBondContact O-CD1 3.47Å; L516-I520 WeakPolarHBondContact O-CG1 3.32Å; L516-I520 PolarHBondContact O-N 3.32Å; E517-I520 PolarHBondContact O-N 2.57Å; I520-A522 VanDerWaalsContact C-N 3.28Å; I520-A522 PolarHBondContact O-N 3.41Å; I520-Q523 PolarHBondContact O-N 3.37Å; I520-A528 HydrophobicContact CG1-CB 4.27Å |
| 521 | A | 79.3 | Confident | 81.6 | Confident | 84 Ų | 84 | 80.6 Ų | 80.6 | 69% | 0.694 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -63.8 | -33.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E517 D518 Q523 | E517-A521 WeakPolarHBondContact O-CB 3.48Å; E517-A521 PolarHBondContact O-N 3.08Å; D518-A521 PolarHBondContact O-N 3.15Å; A521-Q523 VanDerWaalsContact C-N 3.35Å |
| 522 | A | 80.3 | Confident | 81.5 | Confident | 75 Ų | 75 | 81.4 Ų | 81.4 | 62% | 0.62 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -0.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | D518 C519 I520 D524 | D518-A522 WeakPolarHBondContact O-CB 3.33Å; D518-A522 PolarHBondContact O-N 2.74Å; C519-A522 CarbonylContact O-C 3.27Å; C519-A522 PolarHBondContact O-N 2.9Å; I520-A522 VanDerWaalsContact C-N 3.28Å; I520-A522 PolarHBondContact O-N 3.41Å; A522-D524 PolarHBondContact O-N 3.02Å |
| 523 | Q | 80.8 | Confident | 81.4 | Confident | 150 Ų | 150 | 87 Ų | 87 | 70% | 0.701 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 23.7 | -175.2 | -57.4 | -175.4 | -1.4 | 0 | 0 | 114.9 | C519 I520 A521 F525 | C519-Q523 PolarHBondContact O-N 2.99Å; C519-Q523 VanDerWaalsContact O-N 3.16Å; I520-Q523 PolarHBondContact O-N 3.37Å; A521-Q523 VanDerWaalsContact C-N 3.35Å; Q523-F525 HydrophobicContact CB-CE2 3.93Å; Q523-F525 HydrophobicContact CB-CZ 4.16Å; Q523-F525 HydrophobicContact CG-CZ 4.38Å; Q523-F525 VanDerWaalsContact O-CD2 3.26Å; Q523-F525 WeakPolarHBondContact O-CD2 3.36Å; Q523-F525 WeakPolarHBondContact O-CE2 3.38Å; Q523-F525 PolarHBondContact O-N 3.32Å |
| 524 | D | 82.4 | Confident | 81.5 | Confident | 59 Ų | 59 | 85.4 Ų | 85.4 | 32% | 0.316 | 46% | 0.461 | S | S | . | . | trans | -87 | 81.1 | 173 | -171.4 | -15.4 | 0 | 0 | 0 | 110.1 | C519 A522 S526 R527 A528 | C519-D524 PolarHBondContact O-N 3.01Å; A522-D524 PolarHBondContact O-N 3.02Å; D524-S526 VanDerWaalsContact C-N 3.29Å; D524-S526 PolarHBondContact O-N 2.8Å; D524-S526 PolarHBondContact OD1-N 3.27Å; D524-S526 PolarHBondContact OD1-OG 3.4Å; D524-R527 HydrophobicContact CB-CB 4.47Å; D524-R527 WeakPolarHBondContact OD1-CB 3.5Å; D524-R527 PolarHBondContact OD1-N 2.57Å; D524-A528 WeakPolarHBondContact O-CB 3.43Å; D524-A528 PolarHBondContact O-N 2.89Å; D524-A528 VanDerWaalsContact O-N 3.07Å | ||
| 525 | F | 79.5 | Confident | 81.7 | Confident | 141 Ų | 141 | 81.5 Ų | 81.5 | 62% | 0.618 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -71.2 | -22.3 | -176.6 | -59.1 | -68.2 | 0 | 0 | 0 | 113.7 | Q523 A529 | Q523-F525 HydrophobicContact CB-CE2 3.93Å; Q523-F525 HydrophobicContact CB-CZ 4.16Å; Q523-F525 HydrophobicContact CG-CZ 4.38Å; Q523-F525 VanDerWaalsContact O-CD2 3.26Å; Q523-F525 WeakPolarHBondContact O-CD2 3.36Å; Q523-F525 WeakPolarHBondContact O-CE2 3.38Å; Q523-F525 PolarHBondContact O-N 3.32Å; F525-A529 PolarHBondContact O-N 3.19Å |
| 526 | S | 78.5 | Confident | 81.8 | Confident | 88 Ų | 88 | 79.7 Ų | 79.7 | 62% | 0.615 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -65.8 | -52.7 | 173.6 | 24.9 | 0 | 0 | 0 | 0 | 111 | D524 A528 A529 E530 | D524-S526 VanDerWaalsContact C-N 3.29Å; D524-S526 PolarHBondContact O-N 2.8Å; D524-S526 PolarHBondContact OD1-N 3.27Å; D524-S526 PolarHBondContact OD1-OG 3.4Å; S526-A528 VanDerWaalsContact C-N 3.35Å; S526-A529 PolarHBondContact O-N 3.19Å; S526-E530 PolarHBondContact O-N 3.16Å |
| 527 | R | 78.3 | Confident | 81.8 | Confident | 150 Ų | 150 | 80.2 Ų | 80.2 | 57% | 0.566 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -71.6 | -31.3 | -179 | -164.4 | 164.7 | 177.3 | 161.4 | -3.1 | 112.5 | D524 A529 E530 L531 | D524-R527 HydrophobicContact CB-CB 4.47Å; D524-R527 WeakPolarHBondContact OD1-CB 3.5Å; D524-R527 PolarHBondContact OD1-N 2.57Å; R527-A529 VanDerWaalsContact C-N 3.31Å; R527-A529 PolarHBondContact O-N 3.36Å; R527-E530 PolarHBondContact O-N 3.34Å; R527-L531 HydrophobicContact CG-CD1 4.44Å; R527-L531 WeakPolarHBondContact O-CG 3.31Å; R527-L531 PolarHBondContact O-N 3.22Å |
| 528 | A | 79.7 | Confident | 82.1 | Confident | 8 Ų | 8 | 75.6 Ų | 75.6 | 7% | 0.066 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -64.4 | -31.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L516 C519 I520 D524 S526 K532 | L516-A528 HydrophobicContact CD1-CB 3.65Å; L516-A528 WeakPolarHBondContact CD1-O 3.4Å; C519-A528 HydrophobicContact CB-CB 4.22Å; I520-A528 HydrophobicContact CG1-CB 4.27Å; D524-A528 WeakPolarHBondContact O-CB 3.43Å; D524-A528 PolarHBondContact O-N 2.89Å; D524-A528 VanDerWaalsContact O-N 3.07Å; S526-A528 VanDerWaalsContact C-N 3.35Å; A528-K532 WeakPolarHBondContact O-CG 3.43Å; A528-K532 PolarHBondContact O-N 3.38Å; A528-K532 VanDerWaalsContact O-N 3.11Å |
| 529 | A | 78.6 | Confident | 82.2 | Confident | 51 Ų | 51 | 74.4 Ų | 74.4 | 42% | 0.421 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -70.4 | -44.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F525 S526 R527 L531 K532 D533 | F525-A529 PolarHBondContact O-N 3.19Å; S526-A529 PolarHBondContact O-N 3.19Å; R527-A529 VanDerWaalsContact C-N 3.31Å; R527-A529 PolarHBondContact O-N 3.36Å; A529-L531 VanDerWaalsContact C-N 3.33Å; A529-L531 PolarHBondContact O-N 3.45Å; A529-K532 WeakPolarHBondContact O-CB 3.26Å; A529-K532 PolarHBondContact O-N 2.9Å; A529-K532 VanDerWaalsContact O-N 3.17Å; A529-D533 PolarHBondContact O-N 2.77Å; A529-D533 VanDerWaalsContact O-N 3.15Å |
| 530 | E | 83.6 | Confident | 82.3 | Confident | 140 Ų | 140 | 78.8 Ų | 78.8 | 65% | 0.654 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -60.9 | -40.6 | 175.8 | -66.5 | 176.1 | -179.9 | 0 | 0 | 112.1 | S526 R527 D533 A534 | S526-E530 PolarHBondContact O-N 3.16Å; R527-E530 PolarHBondContact O-N 3.34Å; E530-D533 PolarHBondContact O-N 3.26Å; E530-A534 PolarHBondContact O-N 3.11Å |
| 531 | L | 85.7 | Confident | 82.7 | Confident | 30 Ų | 30 | 79.5 Ų | 79.5 | 16% | 0.157 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -68 | -33.4 | 176.1 | -75.4 | 167.9 | 0 | 0 | 0 | 112.6 | D515 L516 C519 R527 A529 A534 I535 | D515-L531 HydrophobicContact CB-CD1 3.94Å; D515-L531 HydrophobicContact CB-CD2 4.32Å; L516-L531 HydrophobicContact CB-CB 4.25Å; L516-L531 HydrophobicContact CB-CD1 4.48Å; L516-L531 HydrophobicContact CD1-CB 4.16Å; C519-L531 HydrophobicContact CB-CD1 4.42Å; R527-L531 HydrophobicContact CG-CD1 4.44Å; R527-L531 WeakPolarHBondContact O-CG 3.31Å; R527-L531 PolarHBondContact O-N 3.22Å; A529-L531 VanDerWaalsContact C-N 3.33Å; A529-L531 PolarHBondContact O-N 3.45Å; L531-A534 PolarHBondContact O-N 3Å; L531-I535 WeakPolarHBondContact O-CB 3.17Å; L531-I535 WeakPolarHBondContact O-CD1 3.45Å; L531-I535 WeakPolarHBondContact O-CG1 3.31Å; L531-I535 PolarHBondContact O-N 3.47Å |
| 532 | K | 83.5 | Confident | 83 | Confident | 131 Ų | 131 | 79.1 Ų | 79.1 | 57% | 0.57 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63.9 | -42.5 | 173.1 | -86.6 | -177.2 | 175.8 | -179.3 | 0 | 112.2 | L516 A528 A529 I535 A536 | L516-K532 HydrophobicContact CD1-CG 4.13Å; L516-K532 HydrophobicContact CD2-CG 3.81Å; A528-K532 WeakPolarHBondContact O-CG 3.43Å; A528-K532 PolarHBondContact O-N 3.38Å; A528-K532 VanDerWaalsContact O-N 3.11Å; A529-K532 WeakPolarHBondContact O-CB 3.26Å; A529-K532 PolarHBondContact O-N 2.9Å; A529-K532 VanDerWaalsContact O-N 3.17Å; K532-I535 PolarHBondContact O-N 3.43Å; K532-A536 PolarHBondContact O-N 2.88Å |
| 533 | D | 83.5 | Confident | 83.1 | Confident | 128 Ų | 128 | 79 Ų | 79 | 68% | 0.684 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -67 | -39 | 176.9 | -69.7 | -17.2 | 0 | 0 | 0 | 111.1 | A529 E530 A536 G537 | A529-D533 PolarHBondContact O-N 2.77Å; A529-D533 VanDerWaalsContact O-N 3.15Å; E530-D533 PolarHBondContact O-N 3.26Å; D533-A536 PolarHBondContact O-N 2.97Å; D533-G537 PolarHBondContact O-N 3.32Å; D533-G537 VanDerWaalsContact O-N 3.09Å |
| 534 | A | 85.6 | Confident | 83.3 | Confident | 49 Ų | 49 | 77.5 Ų | 77.5 | 41% | 0.405 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.4 | -40 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E530 L531 G537 L538 | E530-A534 PolarHBondContact O-N 3.11Å; L531-A534 PolarHBondContact O-N 3Å; A534-G537 PolarHBondContact O-N 3.38Å; A534-L538 WeakPolarHBondContact O-CG 3.22Å; A534-L538 PolarHBondContact O-N 2.92Å |
| 535 | I | 87.5 | Confident | 83.3 | Confident | 13 Ų | 13 | 75.5 Ų | 75.5 | 7% | 0.067 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.2 | -42 | 175.2 | -71 | 160.2 | 0 | 0 | 0 | 110.8 | A512 K513 L516 L531 K532 G537 L538 E539 | A512-I535 HydrophobicContact CB-CD1 4.38Å; A512-I535 HydrophobicContact CB-CG1 3.72Å; K513-I535 HydrophobicContact CG-CD1 3.8Å; K513-I535 HydrophobicContact CG-CG1 4.22Å; K513-I535 HydrophobicContact CG-CG2 4.38Å; L516-I535 HydrophobicContact CB-CD1 4.09Å; L516-I535 HydrophobicContact CD2-CD1 3.62Å; L516-I535 HydrophobicContact CG-CD1 4.46Å; L531-I535 WeakPolarHBondContact O-CB 3.17Å; L531-I535 WeakPolarHBondContact O-CD1 3.45Å; L531-I535 WeakPolarHBondContact O-CG1 3.31Å; L531-I535 PolarHBondContact O-N 3.47Å; K532-I535 PolarHBondContact O-N 3.43Å; I535-G537 VanDerWaalsContact C-N 3.34Å; I535-G537 PolarHBondContact O-N 3.24Å; I535-L538 PolarHBondContact O-N 2.91Å; I535-E539 HydrophobicContact CG2-CG 4.37Å; I535-E539 WeakPolarHBondContact O-CB 3.31Å; I535-E539 WeakPolarHBondContact O-CG 3.18Å; I535-E539 PolarHBondContact O-N 3.31Å |
| 536 | A | 84.6 | Confident | 83.3 | Confident | 45 Ų | 45 | 72.2 Ų | 72.2 | 37% | 0.372 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.7 | -45 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | K532 D533 L538 E539 D540 | K532-A536 PolarHBondContact O-N 2.88Å; D533-A536 PolarHBondContact O-N 2.97Å; A536-L538 PolarHBondContact O-N 2.97Å; A536-E539 PolarHBondContact O-N 2.8Å; A536-D540 PolarHBondContact O-N 3.43Å |
| 537 | G | 86.2 | Confident | 83.3 | Confident | 33 Ų | 33 | 73.5 Ų | 73.5 | 34% | 0.34 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.2 | -38.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | D533 A534 I535 D540 Q541 | D533-G537 PolarHBondContact O-N 3.32Å; D533-G537 VanDerWaalsContact O-N 3.09Å; A534-G537 PolarHBondContact O-N 3.38Å; I535-G537 VanDerWaalsContact C-N 3.34Å; I535-G537 PolarHBondContact O-N 3.24Å; G537-D540 PolarHBondContact O-N 2.89Å; G537-Q541 WeakPolarHBondContact O-CG 3.3Å; G537-Q541 PolarHBondContact O-N 3.38Å |
| 538 | L | 86.7 | Confident | 83.1 | Confident | 24 Ų | 24 | 70.2 Ų | 70.2 | 13% | 0.126 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -70.2 | -32.7 | 174.9 | -72 | 169.5 | 0 | 0 | 0 | 112.4 | V505 R508 L509 A512 A534 I535 A536 R542 | V505-L538 HydrophobicContact CG1-CD2 4.49Å; V505-L538 WeakPolarHBondContact CG1-O 3.45Å; R508-L538 HydrophobicContact CB-CD1 4.18Å; R508-L538 HydrophobicContact CB-CD2 4.27Å; L509-L538 HydrophobicContact CB-CB 4.37Å; L509-L538 HydrophobicContact CD1-CB 4.13Å; A512-L538 HydrophobicContact CB-CD1 4.29Å; A534-L538 WeakPolarHBondContact O-CG 3.22Å; A534-L538 PolarHBondContact O-N 2.92Å; I535-L538 PolarHBondContact O-N 2.91Å; A536-L538 PolarHBondContact O-N 2.97Å; L538-R542 WeakPolarHBondContact O-CB 3.27Å; L538-R542 PolarHBondContact O-N 2.96Å |
| 539 | E | 84.1 | Confident | 82.9 | Confident | 62 Ų | 62 | 71.5 Ų | 71.5 | 29% | 0.29 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.9 | -39.5 | 173.9 | -78.1 | -177.5 | 169.9 | 0 | 0 | 111.8 | L509 K513 I535 A536 R542 N543 | L509-E539 HydrophobicContact CD1-CB 4.41Å; L509-E539 HydrophobicContact CD1-CG 3.47Å; L509-E539 VanDerWaalsContact CD1-CG 3.47Å; K513-E539 IonicContact NZ-OE1 3.15Å; K513-E539 PolarHBondContact NZ-OE1 3.48Å; I535-E539 HydrophobicContact CG2-CG 4.37Å; I535-E539 WeakPolarHBondContact O-CB 3.31Å; I535-E539 WeakPolarHBondContact O-CG 3.18Å; I535-E539 PolarHBondContact O-N 3.31Å; A536-E539 PolarHBondContact O-N 2.8Å; E539-R542 WeakPolarHBondContact O-CB 3.39Å; E539-R542 PolarHBondContact O-N 2.9Å; E539-N543 PolarHBondContact O-N 3.46Å; E539-N543 PolarHBondContact O-ND2 3.38Å |
| 540 | D | 84.5 | Confident | 82.4 | Confident | 109 Ų | 109 | 72.3 Ų | 72.3 | 58% | 0.583 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -65.8 | -45.7 | 174.2 | -74 | -19.2 | 0 | 0 | 0 | 111.9 | A536 G537 R542 N543 Q544 | A536-D540 PolarHBondContact O-N 3.43Å; G537-D540 PolarHBondContact O-N 2.89Å; D540-R542 VanDerWaalsContact C-N 3.32Å; D540-R542 PolarHBondContact O-N 3.17Å; D540-N543 PolarHBondContact O-N 3.01Å; D540-N543 VanDerWaalsContact O-N 3.15Å; D540-Q544 PolarHBondContact O-N 3.3Å |
| 541 | Q | 83.4 | Confident | 81.4 | Confident | 100 Ų | 100 | 71.4 Ų | 71.4 | 47% | 0.467 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.3 | -41 | 174.8 | -73.8 | 177.6 | 4.8 | 0 | 0 | 112.1 | V505 G537 N543 Q544 V545 | V505-Q541 HydrophobicContact CG1-CB 4.42Å; G537-Q541 WeakPolarHBondContact O-CG 3.3Å; G537-Q541 PolarHBondContact O-N 3.38Å; Q541-N543 VanDerWaalsContact C-N 3.33Å; Q541-N543 PolarHBondContact O-N 3.44Å; Q541-Q544 PolarHBondContact O-N 2.9Å; Q541-V545 WeakPolarHBondContact O-CG2 3.2Å; Q541-V545 PolarHBondContact O-N 3.38Å |
| 542 | R | 85.7 | Confident | 80.2 | Confident | 76 Ų | 76 | 73.1 Ų | 73.1 | 29% | 0.287 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.6 | -43.5 | 175.1 | -175.9 | -152.2 | 70.5 | -172.6 | 0.9 | 111.2 | L502 V505 L538 E539 D540 Q544 L546 | L502-R542 HydrophobicContact CD1-CG 4Å; V505-R542 HydrophobicContact CG1-CB 3.88Å; L538-R542 WeakPolarHBondContact O-CB 3.27Å; L538-R542 PolarHBondContact O-N 2.96Å; E539-R542 WeakPolarHBondContact O-CB 3.39Å; E539-R542 PolarHBondContact O-N 2.9Å; D540-R542 VanDerWaalsContact C-N 3.32Å; D540-R542 PolarHBondContact O-N 3.17Å; R542-Q544 VanDerWaalsContact C-N 3.35Å; R542-L546 HydrophobicContact CG-CD1 4.03Å; R542-L546 WeakPolarHBondContact O-CB 3.26Å; R542-L546 WeakPolarHBondContact O-CG 3.45Å; R542-L546 PolarHBondContact O-N 2.69Å |
| 543 | N | 83.5 | Confident | 78.7 | Confident | 71 Ų | 71 | 70.5 Ų | 70.5 | 38% | 0.38 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 179.6 | -68.8 | -21.1 | 0 | 0 | 0 | 111.6 | E539 D540 Q541 L546 Q547 | E539-N543 PolarHBondContact O-N 3.46Å; E539-N543 PolarHBondContact O-ND2 3.38Å; D540-N543 PolarHBondContact O-N 3.01Å; D540-N543 VanDerWaalsContact O-N 3.15Å; Q541-N543 VanDerWaalsContact C-N 3.33Å; Q541-N543 PolarHBondContact O-N 3.44Å; N543-L546 PolarHBondContact O-N 3.48Å; N543-Q547 WeakPolarHBondContact O-CB 3.06Å; N543-Q547 PolarHBondContact O-N 2.86Å |
| 544 | Q | 84.2 | Confident | 76.8 | Confident | 119 Ų | 119 | 71 Ų | 71 | 56% | 0.556 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63.7 | -46.9 | 176 | -167.8 | 168.5 | 18.5 | 0 | 0 | 111.8 | D540 Q541 R542 L546 Q547 E548 | D540-Q544 PolarHBondContact O-N 3.3Å; Q541-Q544 PolarHBondContact O-N 2.9Å; R542-Q544 VanDerWaalsContact C-N 3.35Å; Q544-L546 VanDerWaalsContact C-N 3.34Å; Q544-L546 PolarHBondContact O-N 3.25Å; Q544-Q547 PolarHBondContact O-N 2.91Å; Q544-E548 WeakPolarHBondContact O-CG 3.28Å; Q544-E548 PolarHBondContact O-N 3.19Å |
| 545 | V | 81.9 | Confident | 74.8 | Confident | 17 Ų | 17 | 73 Ų | 73 | 10% | 0.103 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65 | -37.3 | 176.4 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | L502 Q541 Q547 E548 I549 | L502-V545 HydrophobicContact CB-CG1 3.96Å; L502-V545 HydrophobicContact CD1-CG1 4.31Å; Q541-V545 WeakPolarHBondContact O-CG2 3.2Å; Q541-V545 PolarHBondContact O-N 3.38Å; V545-Q547 VanDerWaalsContact C-N 3.34Å; V545-E548 PolarHBondContact O-N 2.75Å; V545-I549 HydrophobicContact CG1-CD1 3.86Å; V545-I549 HydrophobicContact CG1-CG1 4.47Å; V545-I549 WeakPolarHBondContact O-CB 3.24Å; V545-I549 WeakPolarHBondContact O-CD1 3.46Å; V545-I549 WeakPolarHBondContact O-CG1 3.39Å; V545-I549 PolarHBondContact O-N 2.92Å |
| 546 | L | 80.4 | Confident | 72.6 | Confident | 73 Ų | 73 | 77.6 Ų | 77.6 | 38% | 0.382 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.1 | -37.4 | 173.9 | -86.9 | 162.1 | 0 | 0 | 0 | 112.5 | L502 R542 N543 Q544 S550 | L502-L546 HydrophobicContact CD1-CD1 4.49Å; L502-L546 HydrophobicContact CD1-CG 4.01Å; L502-L546 HydrophobicContact CD2-CD2 4.19Å; R542-L546 HydrophobicContact CG-CD1 4.03Å; R542-L546 WeakPolarHBondContact O-CB 3.26Å; R542-L546 WeakPolarHBondContact O-CG 3.45Å; R542-L546 PolarHBondContact O-N 2.69Å; N543-L546 PolarHBondContact O-N 3.48Å; Q544-L546 VanDerWaalsContact C-N 3.34Å; Q544-L546 PolarHBondContact O-N 3.25Å; L546-S550 WeakPolarHBondContact O-CB 3.29Å; L546-S550 PolarHBondContact O-N 2.9Å |
| 547 | Q | 77.9 | Confident | 70.5 | Confident | 115 Ų | 115 | 82 Ų | 82 | 54% | 0.537 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -68.5 | -44.7 | 176.1 | -175.4 | 172.2 | -5.5 | 0 | 0 | 111 | N543 Q544 V545 I549 S550 E551 | N543-Q547 WeakPolarHBondContact O-CB 3.06Å; N543-Q547 PolarHBondContact O-N 2.86Å; Q544-Q547 PolarHBondContact O-N 2.91Å; V545-Q547 VanDerWaalsContact C-N 3.34Å; Q547-I549 VanDerWaalsContact C-N 3.32Å; Q547-I549 PolarHBondContact O-N 2.73Å; Q547-S550 CarbonylContact O-C 3.59Å; Q547-S550 WeakPolarHBondContact O-CB 3.25Å; Q547-S550 PolarHBondContact O-N 2.7Å; Q547-S550 VanDerWaalsContact O-N 3.12Å; Q547-E551 HydrophobicContact CG-CG 4.48Å; Q547-E551 WeakPolarHBondContact CG-OE1 3.44Å; Q547-E551 PolarHBondContact NE2-OE1 2.95Å; Q547-E551 WeakPolarHBondContact O-CB 3.5Å; Q547-E551 WeakPolarHBondContact O-CG 3.36Å; Q547-E551 PolarHBondContact O-N 2.96Å |
| 548 | E | 74.8 | Confident | 68.2 | Low | 81 Ų | 81 | 91.9 Ų | 91.9 | 38% | 0.379 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.2 | -39.3 | 174.1 | -72.6 | 177.9 | -167.2 | 0 | 0 | 112.3 | Q544 V545 S552 | Q544-E548 WeakPolarHBondContact O-CG 3.28Å; Q544-E548 PolarHBondContact O-N 3.19Å; V545-E548 PolarHBondContact O-N 2.75Å; E548-S552 WeakPolarHBondContact O-CB 3.49Å; E548-S552 PolarHBondContact O-N 3.33Å; E548-S552 PolarHBondContact O-OG 3.39Å |
| 549 | I | 74.7 | Confident | 65.9 | Low | 35 Ų | 35 | 98.4 Ų | 98.4 | 18% | 0.179 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -65.9 | -42.6 | 173.5 | -70.3 | 165.8 | 0 | 0 | 0 | 110.2 | Q498 L502 V545 Q547 S552 S553 | Q498-I549 HydrophobicContact CB-CD1 4.26Å; Q498-I549 HydrophobicContact CB-CG1 3.93Å; L502-I549 HydrophobicContact CB-CD1 4.26Å; L502-I549 HydrophobicContact CD2-CD1 3.93Å; V545-I549 HydrophobicContact CG1-CD1 3.86Å; V545-I549 HydrophobicContact CG1-CG1 4.47Å; V545-I549 WeakPolarHBondContact O-CB 3.24Å; V545-I549 WeakPolarHBondContact O-CD1 3.46Å; V545-I549 WeakPolarHBondContact O-CG1 3.39Å; V545-I549 PolarHBondContact O-N 2.92Å; Q547-I549 VanDerWaalsContact C-N 3.32Å; Q547-I549 PolarHBondContact O-N 2.73Å; I549-S552 WeakPolarHBondContact CA-OG 3.3Å; I549-S552 PolarHBondContact O-N 3.49Å; I549-S552 PolarHBondContact O-OG 3.45Å; I549-S553 WeakPolarHBondContact O-CB 3.35Å; I549-S553 PolarHBondContact O-N 3.11Å; I549-S553 PolarHBondContact O-OG 3.3Å |
| 550 | S | 67.6 | Low | 63.8 | Low | 68 Ų | 68 | 99.6 Ų | 99.6 | 48% | 0.476 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 177.3 | -178.7 | 0 | 0 | 0 | 0 | 111.9 | L546 Q547 S553 Q554 | L546-S550 WeakPolarHBondContact O-CB 3.29Å; L546-S550 PolarHBondContact O-N 2.9Å; Q547-S550 CarbonylContact O-C 3.59Å; Q547-S550 WeakPolarHBondContact O-CB 3.25Å; Q547-S550 PolarHBondContact O-N 2.7Å; Q547-S550 VanDerWaalsContact O-N 3.12Å; S550-S553 PolarHBondContact O-N 2.88Å; S550-Q554 PolarHBondContact O-N 3.37Å |
| 551 | E | 62.8 | Low | 62 | Low | 121 Ų | 121 | 101.3 Ų | 101.3 | 57% | 0.565 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -69.2 | -34.4 | 177.2 | -72.4 | 171.2 | -171.8 | 0 | 0 | 111.4 | Q547 | Q547-E551 HydrophobicContact CG-CG 4.48Å; Q547-E551 WeakPolarHBondContact CG-OE1 3.44Å; Q547-E551 PolarHBondContact NE2-OE1 2.95Å; Q547-E551 WeakPolarHBondContact O-CB 3.5Å; Q547-E551 WeakPolarHBondContact O-CG 3.36Å; Q547-E551 PolarHBondContact O-N 2.96Å |
| 552 | S | 60.3 | Low | 60.6 | Low | 66 Ų | 66 | 100.1 Ų | 100.1 | 46% | 0.462 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -79.6 | -16 | 174.2 | 69.3 | 0 | 0 | 0 | 0 | 114.7 | E548 I549 | E548-S552 WeakPolarHBondContact O-CB 3.49Å; E548-S552 PolarHBondContact O-N 3.33Å; E548-S552 PolarHBondContact O-OG 3.39Å; I549-S552 WeakPolarHBondContact CA-OG 3.3Å; I549-S552 PolarHBondContact O-N 3.49Å; I549-S552 PolarHBondContact O-OG 3.45Å |
| 553 | S | 52.7 | Low | 59.6 | Low | 75 Ų | 75 | 101.1 Ų | 101.1 | 52% | 0.524 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -107.4 | 0.7 | -175.6 | -48.3 | 0 | 0 | 0 | 0 | 113.6 | I549 S550 P555 | I549-S553 WeakPolarHBondContact O-CB 3.35Å; I549-S553 PolarHBondContact O-N 3.11Å; I549-S553 PolarHBondContact O-OG 3.3Å; S550-S553 PolarHBondContact O-N 2.88Å; S553-P555 WeakPolarHBondContact O-CD 3.49Å |
| 554 | Q | 44.4 | Very low | 59.1 | Low | 140 Ų | 140 | 99.7 Ų | 99.7 | 65% | 0.654 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -63.3 | 125.5 | 167.9 | -79.3 | -172.9 | 0.8 | 0 | 0 | 107.7 | S550 V556 | S550-Q554 PolarHBondContact O-N 3.37Å; Q554-V556 PolarHBondContact O-N 2.91Å |
| 555 | P | 42.3 | Very low | 58.8 | Low | 91 Ų | 91 | 98 Ų | 98 | 59% | 0.591 | 53% | 0.527 | S | S | * | . | trans | -57.2 | 135.3 | 161.8 | 26.2 | -29.3 | 0 | 0 | 0 | 106.1 | S553 D557 | S553-P555 WeakPolarHBondContact O-CD 3.49Å; P555-D557 HydrophobicContact CB-CB 4.37Å; P555-D557 HydrophobicContact CG-CB 4.43Å; P555-D557 PolarHBondContact O-N 3.22Å | ||
| 556 | V | 41.3 | Very low | 59 | Low | 108 Ų | 108 | 100.2 Ų | 100.2 | 66% | 0.655 | 54% | 0.539 | S | S | * | . | trans | -68.9 | 54.6 | 165.8 | -171.4 | 0 | 0 | 0 | 0 | 108 | Q554 R558 E559 | Q554-V556 PolarHBondContact O-N 2.91Å; V556-R558 PolarHBondContact O-N 3.46Å; V556-E559 HydrophobicContact CG1-CB 4.07Å; V556-E559 HydrophobicContact CG1-CG 3.75Å | ||
| 557 | D | 40.5 | Very low | 59.4 | Low | 137 Ų | 137 | 99.5 Ų | 99.5 | 73% | 0.733 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | 56.8 | 169.7 | -84.1 | -26.4 | 0 | 0 | 0 | 108 | P555 | P555-D557 HydrophobicContact CB-CB 4.37Å; P555-D557 HydrophobicContact CG-CB 4.43Å; P555-D557 PolarHBondContact O-N 3.22Å |
| 558 | R | 38.8 | Very low | 59.8 | Low | 242 Ų | 242 | 99.8 Ų | 99.8 | 91% | 0.913 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -178.7 | 28.8 | 162.9 | -106.9 | 170.8 | -172.1 | -162.4 | 2.7 | 115.4 | V556 A560 | V556-R558 PolarHBondContact O-N 3.46Å; R558-A560 VanDerWaalsContact C-N 3.28Å; R558-A560 PolarHBondContact O-N 2.69Å |
| 559 | E | 38.8 | Very low | 60.6 | Low | 161 Ų | 161 | 96.7 Ų | 96.7 | 75% | 0.752 | 53% | 0.527 | S | S | * | . | trans | -76.9 | 97.3 | 142.7 | -80.4 | 177.7 | 179.5 | 0 | 0 | 105.5 | V556 L561 | V556-E559 HydrophobicContact CG1-CB 4.07Å; V556-E559 HydrophobicContact CG1-CG 3.75Å; E559-L561 PolarHBondContact O-N 3.18Å | ||
| 560 | A | 39.5 | Very low | 61.4 | Low | 86 Ų | 86 | 95.4 Ų | 95.4 | 71% | 0.711 | 52% | 0.52 | S | S | * | . | trans | -48.1 | 120.1 | 160.6 | 0 | 0 | 0 | 0 | 0 | 105.9 | R558 A562 | R558-A560 VanDerWaalsContact C-N 3.28Å; R558-A560 PolarHBondContact O-N 2.69Å; A560-A562 WeakPolarHBondContact O-CA 3.12Å; A560-A562 PolarHBondContact O-N 3.4Å | ||
| 561 | L | 46 | Very low | 62.6 | Low | 145 Ų | 145 | 94.3 Ų | 94.3 | 76% | 0.759 | 51% | 0.509 | S | S | * | . | trans | -42 | 91 | 166.4 | -82.1 | 156.3 | 0 | 0 | 0 | 107.9 | P482 E559 E563 | P482-L561 HydrophobicContact CB-CD2 4.23Å; P482-L561 HydrophobicContact CG-CB 4.06Å; P482-L561 HydrophobicContact CG-CD2 3.71Å; P482-L561 HydrophobicContact CG-CG 4.48Å; E559-L561 PolarHBondContact O-N 3.18Å; L561-E563 PolarHBondContact O-N 3.1Å | ||
| 562 | A | 54.4 | Low | 64.1 | Low | 75 Ų | 75 | 89.5 Ų | 89.5 | 62% | 0.62 | 49% | 0.485 | S | S | * | . | trans | -78.2 | 115.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 105.7 | A560 K564 | A560-A562 WeakPolarHBondContact O-CA 3.12Å; A560-A562 PolarHBondContact O-N 3.4Å; A562-K564 PolarHBondContact O-N 3.19Å | ||
| 563 | E | 64.8 | Low | 65.8 | Low | 97 Ų | 97 | 86.3 Ų | 86.3 | 45% | 0.453 | 46% | 0.463 | S | S | . | . | trans | -43.5 | 140.6 | 170.5 | -66.4 | 177.4 | 166.7 | 0 | 0 | 109.4 | R480 L561 N565 | R480-E563 IonicContact CZ-OE2 4Å; R480-E563 IonicContact NE-OE2 2.66Å; R480-E563 IonicContact NH1-OE2 3.19Å; R480-E563 PolarHBondContact NH1-OE2 2.99Å; R480-E563 IonicContact NH2-OE2 3.38Å; R480-E563 PolarHBondContact NH2-OE2 3.35Å; L561-E563 PolarHBondContact O-N 3.1Å; E563-N565 PolarHBondContact O-N 3.42Å; E563-N565 PolarHBondContact O-ND2 3.32Å; E563-N565 VanDerWaalsContact O-ND2 3.08Å | ||
| 564 | K | 72.4 | Confident | 67.8 | Low | 41 Ų | 41 | 82.8 Ų | 82.8 | 18% | 0.178 | 44% | 0.438 | C | S | . | . | trans | -59.3 | 113.1 | 176.6 | -69.5 | -178.9 | -170.7 | 148.5 | 0 | 109.3 | R480 E481 I483 A562 T569 | R480-K564 PolarHBondContact O-N 3.44Å; E481-K564 WeakPolarHBondContact O-CE 3.48Å; E481-K564 PolarHBondContact O-NZ 3.03Å; I483-K564 VanDerWaalsContact CD1-CE 3.5Å; I483-K564 VanDerWaalsContact CG1-CE 3.44Å; A562-K564 PolarHBondContact O-N 3.19Å; K564-T569 HydrophobicContact CB-CG2 3.96Å | ||
| 565 | N | 79.2 | Confident | 70.3 | Confident | 83 Ų | 83 | 76.9 Ų | 76.9 | 44% | 0.444 | 41% | 0.412 | S | S | . | . | trans | -122.4 | 20.5 | -176.9 | -68.8 | -35.5 | 0 | 0 | 0 | 111.2 | R480 E563 L570 | R480-N565 PolarHBondContact NH2-OD1 2.72Å; E563-N565 PolarHBondContact O-N 3.42Å; E563-N565 PolarHBondContact O-ND2 3.32Å; E563-N565 VanDerWaalsContact O-ND2 3.08Å; N565-L570 HydrophobicContact CB-CD1 4.44Å; N565-L570 VanDerWaalsContact O-CD1 3.31Å; N565-L570 WeakPolarHBondContact O-CD1 3.03Å | ||
| 566 | D | 86.4 | Confident | 72.9 | Confident | 64 Ų | 64 | 72.6 Ų | 72.6 | 34% | 0.342 | 38% | 0.384 | S | S | . | . | trans | -64.7 | 150.7 | 171.1 | 69.1 | -89.3 | 0 | 0 | 0 | 110.3 | E568 T569 L570 | D566-E568 VanDerWaalsContact C-N 3.26Å; D566-E568 PolarHBondContact O-N 3.27Å; D566-E568 PolarHBondContact OD2-N 3.3Å; D566-T569 VanDerWaalsContact CG-OG1 3.23Å; D566-T569 PolarHBondContact O-N 2.96Å; D566-T569 WeakPolarHBondContact OD1-CB 3.43Å; D566-T569 PolarHBondContact OD1-OG1 3.16Å; D566-T569 WeakPolarHBondContact OD2-CB 3.44Å; D566-T569 PolarHBondContact OD2-N 2.84Å; D566-T569 PolarHBondContact OD2-OG1 3.24Å; D566-T569 VanDerWaalsContact OD2-OG1 3.1Å; D566-L570 WeakPolarHBondContact O-CG 3.37Å; D566-L570 PolarHBondContact O-N 2.82Å | ||
| 567 | P | 87.4 | Confident | 75.5 | Confident | 59 Ų | 59 | 67.6 Ų | 67.6 | 38% | 0.383 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.3 | -31.6 | -174.2 | -26.8 | 35.7 | 0 | 0 | 0 | 114.9 | L571 H610 V613 | P567-L571 WeakPolarHBondContact O-CB 3.47Å; P567-L571 PolarHBondContact O-N 3.11Å; P567-H610 HydrophobicContact CB-CB 4.08Å; P567-H610 HydrophobicContact CG-CB 4.34Å; P567-V613 HydrophobicContact CB-CG2 4.01Å; P567-V613 WeakPolarHBondContact O-CG2 3.2Å |
| 568 | E | 87.4 | Confident | 78.2 | Confident | 120 Ų | 120 | 61 Ų | 61 | 56% | 0.561 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -73.5 | -45.5 | -177.9 | -173 | 169.4 | -166.4 | 0 | 0 | 110.9 | D566 L571 R572 | D566-E568 VanDerWaalsContact C-N 3.26Å; D566-E568 PolarHBondContact O-N 3.27Å; D566-E568 PolarHBondContact OD2-N 3.3Å; E568-L571 PolarHBondContact O-N 2.83Å; E568-R572 WeakPolarHBondContact O-CB 3.38Å; E568-R572 PolarHBondContact O-N 3.17Å |
| 569 | T | 90.5 | Very high | 80.9 | Confident | 17 Ų | 17 | 50.6 Ų | 50.6 | 10% | 0.104 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61 | -47.1 | 172.6 | -62.5 | 0 | 0 | 0 | 0 | 111.5 | V479 R480 K564 D566 L571 R572 C573 | V479-T569 HydrophobicContact CG1-CG2 3.88Å; R480-T569 HydrophobicContact CG-CG2 4.29Å; K564-T569 HydrophobicContact CB-CG2 3.96Å; D566-T569 VanDerWaalsContact CG-OG1 3.23Å; D566-T569 PolarHBondContact O-N 2.96Å; D566-T569 WeakPolarHBondContact OD1-CB 3.43Å; D566-T569 PolarHBondContact OD1-OG1 3.16Å; D566-T569 WeakPolarHBondContact OD2-CB 3.44Å; D566-T569 PolarHBondContact OD2-N 2.84Å; D566-T569 PolarHBondContact OD2-OG1 3.24Å; D566-T569 VanDerWaalsContact OD2-OG1 3.1Å; T569-L571 PolarHBondContact O-N 3.45Å; T569-R572 WeakPolarHBondContact O-CB 3.45Å; T569-R572 PolarHBondContact O-N 3Å; T569-C573 PolarHBondContact O-N 2.96Å; T569-C573 PolarHBondContact O-SG 3.39Å |
| 570 | L | 92.6 | Very high | 83.6 | Confident | 8 Ų | 8 | 43 Ų | 43 | 4% | 0.042 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.9 | -44 | 178.1 | -72.5 | 177.3 | 0 | 0 | 0 | 111.8 | N565 D566 R572 C573 L574 L601 V613 | N565-L570 HydrophobicContact CB-CD1 4.44Å; N565-L570 VanDerWaalsContact O-CD1 3.31Å; N565-L570 WeakPolarHBondContact O-CD1 3.03Å; D566-L570 WeakPolarHBondContact O-CG 3.37Å; D566-L570 PolarHBondContact O-N 2.82Å; L570-R572 VanDerWaalsContact C-N 3.32Å; L570-R572 PolarHBondContact O-N 2.65Å; L570-C573 PolarHBondContact O-N 2.78Å; L570-L574 WeakPolarHBondContact O-CB 3.28Å; L570-L574 WeakPolarHBondContact O-CD1 3.37Å; L570-L574 WeakPolarHBondContact O-CG 3.48Å; L570-L574 PolarHBondContact O-N 3.32Å; L570-L601 HydrophobicContact CD2-CD1 3.81Å; L570-V613 HydrophobicContact CB-CG1 4.09Å; L570-V613 HydrophobicContact CB-CG2 4.36Å; L570-V613 HydrophobicContact CD1-CG1 4.31Å |
| 571 | L | 92.9 | Very high | 86.1 | Confident | 45 Ų | 45 | 39 Ų | 39 | 24% | 0.236 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.4 | -45.3 | 177.3 | -178.9 | 60.3 | 0 | 0 | 0 | 110.9 | P567 E568 T569 L574 T575 A612 V613 M616 | P567-L571 WeakPolarHBondContact O-CB 3.47Å; P567-L571 PolarHBondContact O-N 3.11Å; E568-L571 PolarHBondContact O-N 2.83Å; T569-L571 PolarHBondContact O-N 3.45Å; L571-L574 PolarHBondContact O-N 3.47Å; L571-T575 WeakPolarHBondContact O-CB 3.39Å; L571-T575 PolarHBondContact O-N 2.85Å; L571-T575 PolarHBondContact O-OG1 2.68Å; L571-A612 HydrophobicContact CD1-CB 4.48Å; L571-A612 HydrophobicContact CD2-CB 4.32Å; L571-V613 HydrophobicContact CB-CG2 4.36Å; L571-M616 HydrophobicContact CD1-CB 3.95Å; L571-M616 HydrophobicContact CD1-CG 4.44Å |
| 572 | R | 93.6 | Very high | 88.3 | Confident | 19 Ų | 19 | 37.4 Ų | 37.4 | 7% | 0.072 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58 | -51.2 | 175.8 | -178.8 | -176.2 | -169.7 | 114.2 | -2.9 | 112.1 | M440 L441 L443 T446 V451 E568 T569 L570 L574 T575 M576 | M440-R572 PolarHBondContact O-NH2 2.9Å; M440-R572 VanDerWaalsContact O-NH2 3.12Å; L441-R572 PolarHBondContact O-NE 3.23Å; L441-R572 PolarHBondContact O-NH2 3.06Å; L443-R572 PolarHBondContact O-NH1 3.22Å; L443-R572 PolarHBondContact O-NH2 3.15Å; T446-R572 VanDerWaalsContact CB-NH2 3.3Å; T446-R572 PolarHBondContact O-NH1 3.2Å; T446-R572 PolarHBondContact OG1-NH2 3.47Å; V451-R572 HydrophobicContact CG1-CG 3.97Å; V451-R572 HydrophobicContact CG2-CG 3.92Å; E568-R572 WeakPolarHBondContact O-CB 3.38Å; E568-R572 PolarHBondContact O-N 3.17Å; T569-R572 WeakPolarHBondContact O-CB 3.45Å; T569-R572 PolarHBondContact O-N 3Å; L570-R572 VanDerWaalsContact C-N 3.32Å; L570-R572 PolarHBondContact O-N 2.65Å; R572-L574 VanDerWaalsContact C-N 3.33Å; R572-L574 PolarHBondContact O-N 3.49Å; R572-T575 PolarHBondContact O-N 3.39Å; R572-M576 HydrophobicContact CG-CE 4.16Å; R572-M576 WeakPolarHBondContact O-CG 3.36Å; R572-M576 PolarHBondContact O-N 3.24Å |
| 573 | C | 95.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.7 | -42.4 | 178.8 | -67 | 0 | 0 | 0 | 0 | 111.9 | I476 T569 L570 M576 C577 L601 | I476-C573 HydrophobicContact CG1-CB 4.3Å; I476-C573 HydrophobicContact CG2-CB 4.12Å; T569-C573 PolarHBondContact O-N 2.96Å; T569-C573 PolarHBondContact O-SG 3.39Å; L570-C573 PolarHBondContact O-N 2.78Å; C573-M576 PolarHBondContact O-N 3.22Å; C573-C577 WeakPolarHBondContact O-CB 3.43Å; C573-C577 PolarHBondContact O-N 3.01Å; C573-L601 HydrophobicContact CB-CD1 3.91Å; C573-L601 HydrophobicContact CB-CD2 3.8Å |
| 574 | L | 96.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.7 | -37.6 | 176.5 | -70.5 | 166.9 | 0 | 0 | 0 | 111.8 | L570 L571 R572 C577 A578 L601 V602 V613 M616 A617 C620 | L570-L574 WeakPolarHBondContact O-CB 3.28Å; L570-L574 WeakPolarHBondContact O-CD1 3.37Å; L570-L574 WeakPolarHBondContact O-CG 3.48Å; L570-L574 PolarHBondContact O-N 3.32Å; L571-L574 PolarHBondContact O-N 3.47Å; R572-L574 VanDerWaalsContact C-N 3.33Å; R572-L574 PolarHBondContact O-N 3.49Å; L574-C577 PolarHBondContact O-N 2.94Å; L574-A578 VanDerWaalsContact O-CB 3.31Å; L574-A578 WeakPolarHBondContact O-CB 3.34Å; L574-A578 PolarHBondContact O-N 3.13Å; L574-L601 HydrophobicContact CD2-CD1 4.39Å; L574-L601 HydrophobicContact CD2-CD2 4.14Å; L574-L601 HydrophobicContact CD2-CG 3.81Å; L574-L601 HydrophobicContact CG-CD1 4.33Å; L574-L601 HydrophobicContact CG-CD2 4.46Å; L574-L601 HydrophobicContact CG-CG 4.24Å; L574-V602 HydrophobicContact CD2-CG2 4.24Å; L574-V613 HydrophobicContact CD1-CG1 3.76Å; L574-M616 HydrophobicContact CB-CB 3.96Å; L574-M616 HydrophobicContact CB-CG 3.51Å; L574-M616 HydrophobicContact CD1-CB 4.34Å; L574-A617 HydrophobicContact CD1-CB 4.15Å; L574-A617 HydrophobicContact CD2-CB 4.26Å; L574-C620 PolarHBondContact O-SG 2.92Å |
| 575 | T | 96.4 | Very high | 91.8 | Very high | 17 Ų | 17 | 34.7 Ų | 34.7 | 10% | 0.104 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.1 | -44.9 | 174.3 | -62.2 | 0 | 0 | 0 | 0 | 111.4 | V451 L571 R572 C577 A578 E579 | V451-T575 HydrophobicContact CB-CG2 4.36Å; V451-T575 HydrophobicContact CG1-CG2 4.02Å; L571-T575 WeakPolarHBondContact O-CB 3.39Å; L571-T575 PolarHBondContact O-N 2.85Å; L571-T575 PolarHBondContact O-OG1 2.68Å; R572-T575 PolarHBondContact O-N 3.39Å; T575-C577 VanDerWaalsContact C-N 3.34Å; T575-C577 PolarHBondContact O-N 3.38Å; T575-A578 PolarHBondContact O-N 2.9Å; T575-E579 PolarHBondContact O-N 3.49Å |
| 576 | M | 96.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.9 | -44.3 | 174.7 | -65.5 | -172.3 | -74 | 0 | 0 | 111.5 | L441 V451 T455 V472 I475 I476 V479 R572 C573 E579 L580 | L441-M576 HydrophobicContact CB-SD 4.19Å; L441-M576 HydrophobicContact CD2-CG 4.36Å; L441-M576 HydrophobicContact CD2-SD 4Å; V451-M576 HydrophobicContact CG1-CG 3.6Å; T455-M576 HydrophobicContact CG2-CB 4.44Å; T455-M576 WeakPolarHBondContact OG1-CG 3.25Å; V472-M576 HydrophobicContact CG1-CB 4.18Å; I475-M576 HydrophobicContact CG2-CE 4.13Å; I475-M576 HydrophobicContact CG2-SD 3.76Å; I476-M576 HydrophobicContact CD1-CB 4.49Å; I476-M576 HydrophobicContact CG1-CB 4.47Å; I476-M576 HydrophobicContact CG1-CE 3.82Å; V479-M576 HydrophobicContact CG2-CE 4.46Å; R572-M576 HydrophobicContact CG-CE 4.16Å; R572-M576 WeakPolarHBondContact O-CG 3.36Å; R572-M576 PolarHBondContact O-N 3.24Å; C573-M576 PolarHBondContact O-N 3.22Å; M576-E579 PolarHBondContact O-N 3.43Å; M576-L580 WeakPolarHBondContact O-CB 3.36Å; M576-L580 PolarHBondContact O-N 2.87Å |
| 577 | C | 96.2 | Very high | 91.2 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.014 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63 | -41.3 | 176.9 | -171.6 | 0 | 0 | 0 | 0 | 112.1 | I476 C573 L574 T575 L580 L581 L601 | I476-C577 HydrophobicContact CD1-CB 4.24Å; C573-C577 WeakPolarHBondContact O-CB 3.43Å; C573-C577 PolarHBondContact O-N 3.01Å; L574-C577 PolarHBondContact O-N 2.94Å; T575-C577 VanDerWaalsContact C-N 3.34Å; T575-C577 PolarHBondContact O-N 3.38Å; C577-L580 PolarHBondContact O-N 3.3Å; C577-L581 WeakPolarHBondContact O-CB 3.5Å; C577-L581 VanDerWaalsContact O-CG 3.23Å; C577-L581 WeakPolarHBondContact O-CG 3.24Å; C577-L581 PolarHBondContact O-N 3.16Å; C577-L601 HydrophobicContact CB-CD2 4.38Å |
| 578 | A | 95.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.1 | -46.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L574 T575 L581 K582 M616 V619 | L574-A578 VanDerWaalsContact O-CB 3.31Å; L574-A578 WeakPolarHBondContact O-CB 3.34Å; L574-A578 PolarHBondContact O-N 3.13Å; T575-A578 PolarHBondContact O-N 2.9Å; A578-L581 PolarHBondContact O-N 3.26Å; A578-K582 VanDerWaalsContact O-CG 3.24Å; A578-K582 WeakPolarHBondContact O-CG 3.36Å; A578-K582 PolarHBondContact O-N 2.99Å; A578-M616 HydrophobicContact CB-SD 3.78Å; A578-V619 HydrophobicContact CB-CG1 4.36Å |
| 579 | E | 96.1 | Very high | 89.9 | Confident | 23 Ų | 23 | 44.9 Ų | 44.9 | 11% | 0.107 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.5 | -38.3 | 177.9 | -67.2 | -48.5 | 138.2 | 0 | 0 | 112.7 | S452 T455 L459 T575 M576 K582 Q583 | S452-E579 PolarHBondContact OG-OE1 3.16Å; S452-E579 VanDerWaalsContact OG-OE1 3.04Å; T455-E579 HydrophobicContact CG2-CB 3.76Å; L459-E579 HydrophobicContact CD1-CB 4.45Å; T575-E579 PolarHBondContact O-N 3.49Å; M576-E579 PolarHBondContact O-N 3.43Å; E579-K582 PolarHBondContact O-N 3.34Å; E579-K582 IonicContact OE1-NZ 2.72Å; E579-K582 PolarHBondContact OE1-NZ 3.46Å; E579-K582 IonicContact OE2-NZ 3.18Å; E579-Q583 PolarHBondContact O-N 2.99Å |
| 580 | L | 95.3 | Very high | 89.2 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.1 | -54.5 | 170.9 | 173.5 | 67.9 | 0 | 0 | 0 | 111 | L459 R468 I469 V472 M576 C577 K582 Q583 M584 I594 | L459-L580 HydrophobicContact CD1-CB 4.43Å; L459-L580 HydrophobicContact CD2-CD1 3.85Å; R468-L580 HydrophobicContact CB-CD1 3.9Å; I469-L580 HydrophobicContact CG1-CD1 4.19Å; I469-L580 HydrophobicContact CG1-CD2 4.33Å; V472-L580 HydrophobicContact CB-CD2 4.06Å; V472-L580 HydrophobicContact CG1-CB 4.28Å; V472-L580 HydrophobicContact CG1-CD2 4.02Å; V472-L580 HydrophobicContact CG2-CB 4.42Å; V472-L580 HydrophobicContact CG2-CD1 4.32Å; M576-L580 WeakPolarHBondContact O-CB 3.36Å; M576-L580 PolarHBondContact O-N 2.87Å; C577-L580 PolarHBondContact O-N 3.3Å; L580-K582 VanDerWaalsContact C-N 3.29Å; L580-K582 PolarHBondContact O-N 3.23Å; L580-Q583 PolarHBondContact O-N 3.05Å; L580-M584 HydrophobicContact CD1-CG 4.21Å; L580-M584 HydrophobicContact CD1-SD 4.29Å; L580-M584 HydrophobicContact CG-CG 4.43Å; L580-M584 HydrophobicContact CG-SD 4.1Å; L580-M584 WeakPolarHBondContact O-CG 3.49Å; L580-M584 PolarHBondContact O-N 3.32Å; L580-M584 VanDerWaalsContact O-N 3.08Å; L580-I594 HydrophobicContact CD2-CD1 4.01Å |
| 581 | L | 93.1 | Very high | 88.7 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.3 | -32.3 | -175.1 | -70 | 170.1 | 0 | 0 | 0 | 113 | C577 A578 M584 I594 C620 T623 C624 H627 | C577-L581 WeakPolarHBondContact O-CB 3.5Å; C577-L581 VanDerWaalsContact O-CG 3.23Å; C577-L581 WeakPolarHBondContact O-CG 3.24Å; C577-L581 PolarHBondContact O-N 3.16Å; A578-L581 PolarHBondContact O-N 3.26Å; L581-M584 HydrophobicContact CD2-SD 4.36Å; L581-I594 HydrophobicContact CD2-CD1 4.23Å; L581-I594 HydrophobicContact CD2-CG2 4.46Å; L581-C620 HydrophobicContact CD1-CB 4.15Å; L581-C620 WeakPolarHBondContact CD1-O 3.32Å; L581-T623 HydrophobicContact CB-CG2 3.7Å; L581-C624 HydrophobicContact CD1-CB 4.04Å; L581-C624 HydrophobicContact CD2-CB 4.25Å; L581-H627 PolarHBondContact O-NE2 3.02Å; L581-H627 VanDerWaalsContact O-NE2 3.09Å |
| 582 | K | 92.5 | Very high | 88.5 | Confident | 110 Ų | 110 | 49.4 Ų | 49.4 | 48% | 0.478 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -69.4 | -34.4 | 177.1 | -73.5 | 171 | -167.6 | 171 | 0 | 113 | A578 E579 L580 T623 | A578-K582 VanDerWaalsContact O-CG 3.24Å; A578-K582 WeakPolarHBondContact O-CG 3.36Å; A578-K582 PolarHBondContact O-N 2.99Å; E579-K582 PolarHBondContact O-N 3.34Å; E579-K582 IonicContact OE1-NZ 2.72Å; E579-K582 PolarHBondContact OE1-NZ 3.46Å; E579-K582 IonicContact OE2-NZ 3.18Å; L580-K582 VanDerWaalsContact C-N 3.29Å; L580-K582 PolarHBondContact O-N 3.23Å; K582-T623 HydrophobicContact CG-CG2 4.21Å |
| 583 | Q | 90.8 | Very high | 88.4 | Confident | 58 Ų | 58 | 50.1 Ų | 50.1 | 27% | 0.271 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -92.6 | -17.4 | -176.9 | -65.5 | -167.7 | 24.3 | 0 | 0 | 114.1 | L459 E579 L580 | L459-Q583 HydrophobicContact CD1-CB 4.39Å; L459-Q583 HydrophobicContact CD1-CG 4.39Å; E579-Q583 PolarHBondContact O-N 2.99Å; L580-Q583 PolarHBondContact O-N 3.05Å |
| 584 | M | 88.6 | Confident | 88.2 | Confident | 10 Ų | 10 | 50.3 Ų | 50.3 | 5% | 0.049 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -60.1 | 142 | 174.7 | -81.9 | -179.6 | 59.1 | 0 | 0 | 111.6 | I469 L580 L581 I586 T588 I594 | I469-M584 HydrophobicContact CD1-CE 3.63Å; I469-M584 HydrophobicContact CD1-SD 3.88Å; I469-M584 HydrophobicContact CG1-CE 4.2Å; I469-M584 HydrophobicContact CG1-SD 3.72Å; L580-M584 HydrophobicContact CD1-CG 4.21Å; L580-M584 HydrophobicContact CD1-SD 4.29Å; L580-M584 HydrophobicContact CG-CG 4.43Å; L580-M584 HydrophobicContact CG-SD 4.1Å; L580-M584 WeakPolarHBondContact O-CG 3.49Å; L580-M584 PolarHBondContact O-N 3.32Å; L580-M584 VanDerWaalsContact O-N 3.08Å; L581-M584 HydrophobicContact CD2-SD 4.36Å; M584-I586 PolarHBondContact O-N 3.25Å; M584-T588 HydrophobicContact CE-CG2 3.94Å; M584-I594 HydrophobicContact CE-CG1 4.49Å; M584-I594 HydrophobicContact SD-CD1 4.1Å |
| 585 | N | 84 | Confident | 87.9 | Confident | 88 Ų | 88 | 53.1 Ų | 53.1 | 47% | 0.471 | 27% | 0.269 | S | S | . | . | trans | -68.5 | 133.3 | 173.5 | -167.9 | -41.8 | 0 | 0 | 0 | 110.2 | D465 K587 T588 | D465-N585 PolarHBondContact OD2-N 3.31Å; N585-K587 PolarHBondContact O-N 3.21Å; N585-K587 WeakPolarHBondContact OD1-CB 3.49Å; N585-K587 PolarHBondContact OD1-N 3.39Å; N585-T588 WeakPolarHBondContact O-CB 3.27Å; N585-T588 PolarHBondContact O-N 3.38Å; N585-T588 PolarHBondContact O-OG1 3.38Å | ||
| 586 | I | 80.2 | Confident | 87.7 | Confident | 98 Ų | 98 | 54.7 Ų | 54.7 | 50% | 0.503 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -24.9 | 177.6 | -60.9 | 173.4 | 0 | 0 | 0 | 112.3 | M584 T588 | M584-I586 PolarHBondContact O-N 3.25Å; I586-T588 VanDerWaalsContact C-N 3.3Å |
| 587 | K | 73.8 | Confident | 87.5 | Confident | 187 Ų | 187 | 55.1 Ų | 55.1 | 81% | 0.813 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -17.1 | 175.9 | -63.6 | -177.6 | -178.2 | 178.3 | 0 | 113.4 | N585 R589 | N585-K587 PolarHBondContact O-N 3.21Å; N585-K587 WeakPolarHBondContact OD1-CB 3.49Å; N585-K587 PolarHBondContact OD1-N 3.39Å; K587-R589 PolarHBondContact O-N 2.87Å |
| 588 | T | 75.2 | Confident | 87.3 | Confident | 34 Ų | 34 | 55.5 Ų | 55.5 | 21% | 0.209 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -71.4 | 113.9 | 179.8 | -55.9 | 0 | 0 | 0 | 0 | 108 | D465 M584 N585 I586 | D465-T588 HydrophobicContact CB-CG2 4.12Å; D465-T588 PolarHBondContact OD2-OG1 2.97Å; M584-T588 HydrophobicContact CE-CG2 3.94Å; N585-T588 WeakPolarHBondContact O-CB 3.27Å; N585-T588 PolarHBondContact O-N 3.38Å; N585-T588 PolarHBondContact O-OG1 3.38Å; I586-T588 VanDerWaalsContact C-N 3.3Å |
| 589 | R | 71.6 | Confident | 87.2 | Confident | 222 Ų | 222 | 59 Ų | 59 | 84% | 0.838 | 31% | 0.312 | S | S | * | . | trans | -62.7 | 143.1 | 179.2 | -72 | -172 | -179.8 | -164.6 | -0.3 | 109.9 | K587 G591 | K587-R589 PolarHBondContact O-N 2.87Å; R589-G591 PolarHBondContact O-N 3.47Å | ||
| 590 | T | 76.7 | Confident | 87 | Confident | 37 Ų | 37 | 60.4 Ų | 60.4 | 23% | 0.227 | 32% | 0.324 | C | S | . | . | trans | -60.8 | 100.8 | 170 | 50.2 | 0 | 0 | 0 | 0 | 109.5 | I594 H627 L631 | T590-I594 HydrophobicContact CG2-CG2 4.3Å; T590-H627 HydrophobicContact CG2-CB 4.08Å; T590-L631 HydrophobicContact CG2-CD1 4.27Å | ||
| 591 | G | 82.9 | Confident | 86.9 | Confident | 17 Ų | 17 | 60.4 Ų | 60.4 | 18% | 0.175 | 32% | 0.324 | C | S | . | . | trans | -76.7 | 172.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R589 T593 I594 S595 | R589-G591 PolarHBondContact O-N 3.47Å; G591-T593 PolarHBondContact O-N 3.11Å; G591-I594 PolarHBondContact O-N 3.45Å; G591-I594 VanDerWaalsContact O-N 3.17Å; G591-S595 PolarHBondContact O-N 3.06Å; G591-S595 VanDerWaalsContact O-N 3.14Å; G591-S595 PolarHBondContact O-OG 3.2Å | ||
| 592 | P | 88.4 | Confident | 87 | Confident | 111 Ų | 111 | 60.2 Ų | 60.2 | 72% | 0.721 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -54.7 | -36.4 | -179.7 | -25.9 | 34.4 | 0 | 0 | 0 | 113.9 | S595 A596 | P592-S595 PolarHBondContact O-N 3.17Å; P592-A596 WeakPolarHBondContact O-CB 3.1Å; P592-A596 PolarHBondContact O-N 3.37Å |
| 593 | T | 91 | Very high | 87.1 | Confident | 33 Ų | 33 | 58 Ų | 58 | 20% | 0.202 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.9 | -42.7 | 179.9 | -43.7 | 0 | 0 | 0 | 0 | 112.4 | I469 A473 G591 A596 L597 | I469-T593 HydrophobicContact CG2-CG2 3.81Å; A473-T593 HydrophobicContact CB-CG2 3.59Å; G591-T593 PolarHBondContact O-N 3.11Å; T593-A596 WeakPolarHBondContact O-CB 3.04Å; T593-A596 PolarHBondContact O-N 3.38Å; T593-L597 WeakPolarHBondContact O-CG 3.44Å; T593-L597 PolarHBondContact O-N 2.94Å |
| 594 | I | 90.5 | Very high | 87.3 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.021 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.3 | -42 | 174.8 | -66.5 | -63.1 | 0 | 0 | 0 | 110.2 | I469 L580 L581 M584 T590 G591 A596 L597 M598 | I469-I594 HydrophobicContact CD1-CD1 4.46Å; I469-I594 HydrophobicContact CD1-CG1 4.15Å; I469-I594 HydrophobicContact CG1-CD1 4.12Å; I469-I594 HydrophobicContact CG1-CG1 4.34Å; I469-I594 HydrophobicContact CG2-CD1 3.89Å; I469-I594 HydrophobicContact CG2-CG1 4.02Å; L580-I594 HydrophobicContact CD2-CD1 4.01Å; L581-I594 HydrophobicContact CD2-CD1 4.23Å; L581-I594 HydrophobicContact CD2-CG2 4.46Å; M584-I594 HydrophobicContact CE-CG1 4.49Å; M584-I594 HydrophobicContact SD-CD1 4.1Å; T590-I594 HydrophobicContact CG2-CG2 4.3Å; G591-I594 PolarHBondContact O-N 3.45Å; G591-I594 VanDerWaalsContact O-N 3.17Å; I594-A596 VanDerWaalsContact C-N 3.26Å; I594-A596 PolarHBondContact O-N 3.01Å; I594-L597 HydrophobicContact CD1-CD1 4.37Å; I594-L597 PolarHBondContact O-N 2.96Å; I594-M598 HydrophobicContact CG2-CG 4.3Å; I594-M598 WeakPolarHBondContact O-CB 3.26Å; I594-M598 VanDerWaalsContact O-CG 3.3Å; I594-M598 WeakPolarHBondContact O-CG 3.3Å; I594-M598 PolarHBondContact O-N 3.23Å |
| 595 | S | 90.9 | Very high | 87.6 | Confident | 59 Ų | 59 | 58.5 Ų | 58.5 | 41% | 0.413 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.3 | -37.3 | 175.2 | -60.3 | 0 | 0 | 0 | 0 | 112.3 | G591 P592 M598 S599 | G591-S595 PolarHBondContact O-N 3.06Å; G591-S595 VanDerWaalsContact O-N 3.14Å; G591-S595 PolarHBondContact O-OG 3.2Å; P592-S595 PolarHBondContact O-N 3.17Å; S595-M598 PolarHBondContact O-N 2.95Å; S595-S599 PolarHBondContact O-N 3.36Å; S595-S599 PolarHBondContact O-OG 2.82Å |
| 596 | A | 92 | Very high | 88.2 | Confident | 50 Ų | 50 | 55.1 Ų | 55.1 | 41% | 0.413 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.5 | -45.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P592 T593 I594 M598 S599 S600 | P592-A596 WeakPolarHBondContact O-CB 3.1Å; P592-A596 PolarHBondContact O-N 3.37Å; T593-A596 WeakPolarHBondContact O-CB 3.04Å; T593-A596 PolarHBondContact O-N 3.38Å; I594-A596 VanDerWaalsContact C-N 3.26Å; I594-A596 PolarHBondContact O-N 3.01Å; A596-M598 VanDerWaalsContact C-N 3.29Å; A596-M598 PolarHBondContact O-N 3.43Å; A596-S599 PolarHBondContact O-N 2.88Å; A596-S599 PolarHBondContact O-OG 2.85Å; A596-S599 VanDerWaalsContact O-OG 3.09Å; A596-S600 VanDerWaalsContact O-CB 3.3Å; A596-S600 WeakPolarHBondContact O-CB 3.35Å; A596-S600 PolarHBondContact O-N 3.09Å; A596-S600 PolarHBondContact O-OG 3.38Å |
| 597 | L | 92.8 | Very high | 88.8 | Confident | 11 Ų | 11 | 54.9 Ų | 54.9 | 6% | 0.058 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62 | -37.1 | 174.4 | -70.9 | 174 | 0 | 0 | 0 | 112 | A473 I476 T593 I594 L601 V602 | A473-L597 HydrophobicContact CB-CD1 4.24Å; I476-L597 HydrophobicContact CD1-CD2 4.08Å; I476-L597 HydrophobicContact CG2-CD2 4.18Å; T593-L597 WeakPolarHBondContact O-CG 3.44Å; T593-L597 PolarHBondContact O-N 2.94Å; I594-L597 HydrophobicContact CD1-CD1 4.37Å; I594-L597 PolarHBondContact O-N 2.96Å; L597-L601 WeakPolarHBondContact O-CA 3.4Å; L597-L601 VanDerWaalsContact O-CB 3.31Å; L597-L601 WeakPolarHBondContact O-CB 3.35Å; L597-L601 PolarHBondContact O-N 2.9Å; L597-V602 PolarHBondContact O-N 2.97Å; L597-V602 VanDerWaalsContact O-N 3.11Å |
| 598 | M | 92.4 | Very high | 89.7 | Confident | 10 Ų | 10 | 47.6 Ų | 47.6 | 5% | 0.049 | 29% | 0.29 | C | S | . | . | I | π-helix | trans | -63.7 | -45.5 | 176.5 | -76.6 | -62 | -63.3 | 0 | 0 | 111.8 | I594 S595 A596 V602 L603 L621 C624 | I594-M598 HydrophobicContact CG2-CG 4.3Å; I594-M598 WeakPolarHBondContact O-CB 3.26Å; I594-M598 VanDerWaalsContact O-CG 3.3Å; I594-M598 WeakPolarHBondContact O-CG 3.3Å; I594-M598 PolarHBondContact O-N 3.23Å; S595-M598 PolarHBondContact O-N 2.95Å; A596-M598 VanDerWaalsContact C-N 3.29Å; A596-M598 PolarHBondContact O-N 3.43Å; M598-V602 HydrophobicContact CE-CB 4.23Å; M598-V602 HydrophobicContact CE-CG1 3.98Å; M598-V602 PolarHBondContact O-N 3.36Å; M598-V602 HydrophobicContact SD-CB 3.78Å; M598-V602 HydrophobicContact SD-CG1 3.91Å; M598-V602 HydrophobicContact SD-CG2 3.75Å; M598-L603 WeakPolarHBondContact O-CB 3.39Å; M598-L603 WeakPolarHBondContact O-CG 3.2Å; M598-L603 PolarHBondContact O-N 3.13Å; M598-L621 HydrophobicContact CE-CD1 3.54Å; M598-C624 HydrophobicContact CE-CB 4.2Å; M598-C624 HydrophobicContact SD-CB 3.69Å; M598-C624 VanDerWaalsContact SD-SG 3.6Å |
| 599 | S | 92.6 | Very high | 90.5 | Very high | 74 Ų | 74 | 50.6 Ų | 50.6 | 52% | 0.517 | 32% | 0.318 | S | S | . | . | I | π-helix | trans | -77.1 | -35.1 | -178.5 | 62 | 0 | 0 | 0 | 0 | 113.6 | S595 A596 P604 | S595-S599 PolarHBondContact O-N 3.36Å; S595-S599 PolarHBondContact O-OG 2.82Å; A596-S599 PolarHBondContact O-N 2.88Å; A596-S599 PolarHBondContact O-OG 2.85Å; A596-S599 VanDerWaalsContact O-OG 3.09Å; S599-P604 WeakPolarHBondContact O-CD 3.35Å; S599-P604 WeakPolarHBondContact O-CG 3.36Å |
| 600 | S | 91.5 | Very high | 91.6 | Very high | 51 Ų | 51 | 44.2 Ų | 44.2 | 36% | 0.357 | 30% | 0.297 | S | S | . | . | I | π-helix | trans | -90.4 | -27.7 | -175.4 | 73.4 | 0 | 0 | 0 | 0 | 114.3 | A596 | A596-S600 VanDerWaalsContact O-CB 3.3Å; A596-S600 WeakPolarHBondContact O-CB 3.35Å; A596-S600 PolarHBondContact O-N 3.09Å; A596-S600 PolarHBondContact O-OG 3.38Å |
| 601 | L | 93.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | I | π-helix | trans | -120.2 | -55.9 | -174.3 | 179.7 | 69.2 | 0 | 0 | 0 | 112.5 | I476 L570 C573 L574 C577 L597 S605 | I476-L601 HydrophobicContact CD1-CD2 4.34Å; I476-L601 HydrophobicContact CG2-CD2 4.26Å; L570-L601 HydrophobicContact CD2-CD1 3.81Å; C573-L601 HydrophobicContact CB-CD1 3.91Å; C573-L601 HydrophobicContact CB-CD2 3.8Å; L574-L601 HydrophobicContact CD2-CD1 4.39Å; L574-L601 HydrophobicContact CD2-CD2 4.14Å; L574-L601 HydrophobicContact CD2-CG 3.81Å; L574-L601 HydrophobicContact CG-CD1 4.33Å; L574-L601 HydrophobicContact CG-CD2 4.46Å; L574-L601 HydrophobicContact CG-CG 4.24Å; C577-L601 HydrophobicContact CB-CD2 4.38Å; L597-L601 WeakPolarHBondContact O-CA 3.4Å; L597-L601 VanDerWaalsContact O-CB 3.31Å; L597-L601 WeakPolarHBondContact O-CB 3.35Å; L597-L601 PolarHBondContact O-N 2.9Å; L601-S605 VanDerWaalsContact O-CB 3.22Å; L601-S605 WeakPolarHBondContact O-CB 3.5Å; L601-S605 PolarHBondContact O-N 2.93Å; L601-S605 PolarHBondContact O-OG 3.37Å |
| 602 | V | 95.5 | Very high | 93 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | I | π-helix | trans | -70.8 | -56.3 | -168.9 | -179.6 | 0 | 0 | 0 | 0 | 112.1 | L574 L597 M598 S605 I606 A617 C620 L621 | L574-V602 HydrophobicContact CD2-CG2 4.24Å; L597-V602 PolarHBondContact O-N 2.97Å; L597-V602 VanDerWaalsContact O-N 3.11Å; M598-V602 HydrophobicContact CE-CB 4.23Å; M598-V602 HydrophobicContact CE-CG1 3.98Å; M598-V602 PolarHBondContact O-N 3.36Å; M598-V602 HydrophobicContact SD-CB 3.78Å; M598-V602 HydrophobicContact SD-CG1 3.91Å; M598-V602 HydrophobicContact SD-CG2 3.75Å; V602-S605 PolarHBondContact O-N 2.77Å; V602-I606 PolarHBondContact O-N 3.08Å; V602-A617 WeakPolarHBondContact CG1-O 3.44Å; V602-C620 HydrophobicContact CB-CB 4.48Å; V602-C620 HydrophobicContact CG1-CB 3.81Å; V602-C620 HydrophobicContact CG2-CB 3.8Å; V602-L621 HydrophobicContact CG1-CB 4.07Å |
| 603 | L | 94.9 | Very high | 93.4 | Very high | 62 Ų | 62 | 40 Ų | 40 | 33% | 0.325 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | -175.8 | -67.8 | 173.4 | 0 | 0 | 0 | 113.3 | M598 S605 I606 L621 | M598-L603 WeakPolarHBondContact O-CB 3.39Å; M598-L603 WeakPolarHBondContact O-CG 3.2Å; M598-L603 PolarHBondContact O-N 3.13Å; L603-S605 PolarHBondContact O-N 3.45Å; L603-I606 HydrophobicContact CD2-CD1 4.03Å; L603-I606 PolarHBondContact O-N 3.4Å; L603-L621 HydrophobicContact CD2-CD1 4.3Å |
| 604 | P | 94.1 | Very high | 93.7 | Very high | 76 Ų | 76 | 40.5 Ų | 40.5 | 49% | 0.494 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.7 | -34.2 | 174.7 | -24.7 | 35.8 | 0 | 0 | 0 | 112.9 | S599 I606 A607 | S599-P604 WeakPolarHBondContact O-CD 3.35Å; S599-P604 WeakPolarHBondContact O-CG 3.36Å; P604-I606 VanDerWaalsContact C-N 3.28Å; P604-I606 PolarHBondContact O-N 3.05Å; P604-A607 PolarHBondContact O-N 3.23Å |
| 605 | S | 95.8 | Very high | 94 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -72.5 | -17.3 | -177.3 | -64.9 | 0 | 0 | 0 | 0 | 114.1 | L601 V602 L603 A607 N608 | L601-S605 VanDerWaalsContact O-CB 3.22Å; L601-S605 WeakPolarHBondContact O-CB 3.5Å; L601-S605 PolarHBondContact O-N 2.93Å; L601-S605 PolarHBondContact O-OG 3.37Å; V602-S605 PolarHBondContact O-N 2.77Å; L603-S605 PolarHBondContact O-N 3.45Å; S605-A607 VanDerWaalsContact C-N 3.28Å; S605-A607 PolarHBondContact O-N 3.05Å; S605-N608 VanDerWaalsContact O-CB 3.24Å; S605-N608 WeakPolarHBondContact O-CB 3.49Å; S605-N608 PolarHBondContact O-N 3.22Å |
| 606 | I | 95.1 | Very high | 94.3 | Very high | 18 Ų | 18 | 41.2 Ų | 41.2 | 9% | 0.092 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.4 | -32.2 | 176 | -65.1 | 172.2 | 0 | 0 | 0 | 111.5 | V602 L603 P604 R614 A617 L621 L638 I642 | V602-I606 PolarHBondContact O-N 3.08Å; L603-I606 HydrophobicContact CD2-CD1 4.03Å; L603-I606 PolarHBondContact O-N 3.4Å; P604-I606 VanDerWaalsContact C-N 3.28Å; P604-I606 PolarHBondContact O-N 3.05Å; I606-R614 WeakPolarHBondContact O-CD 3.37Å; I606-R614 VanDerWaalsContact O-CG 3.29Å; I606-R614 WeakPolarHBondContact O-CG 3.32Å; I606-A617 HydrophobicContact CG1-CB 3.94Å; I606-L621 HydrophobicContact CD1-CB 4.36Å; I606-L621 HydrophobicContact CD1-CD2 3.56Å; I606-L621 HydrophobicContact CD1-CG 4.44Å; I606-L638 HydrophobicContact CD1-CD2 3.86Å; I606-I642 HydrophobicContact CG2-CD1 3.72Å |
| 607 | A | 92.6 | Very high | 94.5 | Very high | 92 Ų | 92 | 38.9 Ų | 38.9 | 76% | 0.76 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | 10.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | P604 S605 | P604-A607 PolarHBondContact O-N 3.23Å; S605-A607 VanDerWaalsContact C-N 3.28Å; S605-A607 PolarHBondContact O-N 3.05Å |
| 608 | N | 94 | Very high | 94.8 | Very high | 35 Ų | 35 | 38.4 Ų | 38.4 | 19% | 0.187 | 25% | 0.245 | C | C | . | . | trans | -67.9 | 145.5 | -177 | -167.8 | -77.9 | 0 | 0 | 0 | 111.8 | S605 H610 V613 R614 | S605-N608 VanDerWaalsContact O-CB 3.24Å; S605-N608 WeakPolarHBondContact O-CB 3.49Å; S605-N608 PolarHBondContact O-N 3.22Å; N608-H610 PolarHBondContact O-N 3.01Å; N608-H610 WeakPolarHBondContact OD1-CB 3.26Å; N608-H610 PolarHBondContact OD1-N 3.32Å; N608-V613 HydrophobicContact CB-CB 4.23Å; N608-V613 HydrophobicContact CB-CG1 3.79Å; N608-R614 HydrophobicContact CB-CG 4.19Å; N608-R614 WeakPolarHBondContact O-CD 3.44Å; N608-R614 WeakPolarHBondContact O-CG 3.27Å; N608-R614 PolarHBondContact O-NE 3.42Å; N608-R614 VanDerWaalsContact O-NE 3.12Å | ||
| 609 | A | 92.4 | Very high | 95 | Very high | 97 Ų | 97 | 39.6 Ų | 39.6 | 80% | 0.802 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -64.2 | -28.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | P611 | A609-P611 WeakPolarHBondContact O-CD 3.27Š|
| 610 | H | 93.9 | Very high | 95.2 | Very high | 88 Ų | 88 | 36 Ų | 36 | 41% | 0.407 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -85.4 | 120.6 | -175 | -163 | -83.9 | 0 | 0 | 0 | 112.1 | P567 N608 A612 V613 R614 | P567-H610 HydrophobicContact CB-CB 4.08Å; P567-H610 HydrophobicContact CG-CB 4.34Å; N608-H610 PolarHBondContact O-N 3.01Å; N608-H610 WeakPolarHBondContact OD1-CB 3.26Å; N608-H610 PolarHBondContact OD1-N 3.32Å; H610-A612 VanDerWaalsContact C-N 3.33Å; H610-A612 WeakPolarHBondContact ND1-CB 3.24Å; H610-A612 PolarHBondContact ND1-N 3.19Å; H610-A612 PolarHBondContact O-N 3.4Å; H610-V613 HydrophobicContact CB-CB 4.39Å; H610-V613 HydrophobicContact CB-CG2 4.08Å; H610-V613 PolarHBondContact O-N 2.89Å; H610-V613 VanDerWaalsContact O-N 3.14Å; H610-R614 PolarHBondContact O-N 3.41Å |
| 611 | P | 95.1 | Very high | 95.4 | Very high | 40 Ų | 40 | 33.6 Ų | 33.6 | 26% | 0.26 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.1 | -35.2 | -174.3 | -25.8 | 35.5 | 0 | 0 | 0 | 114.5 | A609 V613 R614 N615 E647 I650 | A609-P611 WeakPolarHBondContact O-CD 3.27Å; P611-V613 VanDerWaalsContact C-N 3.32Å; P611-V613 PolarHBondContact O-N 3.43Å; P611-R614 PolarHBondContact O-N 2.99Å; P611-N615 WeakPolarHBondContact O-CB 3.33Å; P611-N615 PolarHBondContact O-N 2.88Å; P611-E647 WeakPolarHBondContact CB-OE2 3.12Å; P611-E647 WeakPolarHBondContact CG-OE1 3.26Å; P611-I650 HydrophobicContact CB-CD1 4.16Å |
| 612 | A | 94.3 | Very high | 95.5 | Very high | 37 Ų | 37 | 33.7 Ų | 33.7 | 31% | 0.306 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.6 | -36.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L571 H610 M616 | L571-A612 HydrophobicContact CD1-CB 4.48Å; L571-A612 HydrophobicContact CD2-CB 4.32Å; H610-A612 VanDerWaalsContact C-N 3.33Å; H610-A612 WeakPolarHBondContact ND1-CB 3.24Å; H610-A612 PolarHBondContact ND1-N 3.19Å; H610-A612 PolarHBondContact O-N 3.4Å; A612-M616 PolarHBondContact O-N 3.27Å; A612-M616 VanDerWaalsContact O-N 3.13Å |
| 613 | V | 96.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.5 | -48.2 | 177.4 | 175.2 | 0 | 0 | 0 | 0 | 109.4 | P567 L570 L571 L574 N608 H610 P611 N615 M616 A617 | P567-V613 HydrophobicContact CB-CG2 4.01Å; P567-V613 WeakPolarHBondContact O-CG2 3.2Å; L570-V613 HydrophobicContact CB-CG1 4.09Å; L570-V613 HydrophobicContact CB-CG2 4.36Å; L570-V613 HydrophobicContact CD1-CG1 4.31Å; L571-V613 HydrophobicContact CB-CG2 4.36Å; L574-V613 HydrophobicContact CD1-CG1 3.76Å; N608-V613 HydrophobicContact CB-CB 4.23Å; N608-V613 HydrophobicContact CB-CG1 3.79Å; H610-V613 HydrophobicContact CB-CB 4.39Å; H610-V613 HydrophobicContact CB-CG2 4.08Å; H610-V613 PolarHBondContact O-N 2.89Å; H610-V613 VanDerWaalsContact O-N 3.14Å; P611-V613 VanDerWaalsContact C-N 3.32Å; P611-V613 PolarHBondContact O-N 3.43Å; V613-N615 VanDerWaalsContact C-N 3.34Å; V613-N615 PolarHBondContact O-N 3.37Å; V613-M616 PolarHBondContact O-N 3.07Å; V613-A617 WeakPolarHBondContact O-CB 3.34Å; V613-A617 PolarHBondContact O-N 3.08Å |
| 614 | R | 96.6 | Very high | 95.3 | Very high | 43 Ų | 43 | 31.9 Ų | 31.9 | 16% | 0.162 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.1 | -45.6 | 175.1 | -69.3 | -166.4 | -76.9 | 149.9 | 5.8 | 112.4 | I606 N608 H610 P611 M616 A617 V618 D646 E647 I650 | I606-R614 WeakPolarHBondContact O-CD 3.37Å; I606-R614 VanDerWaalsContact O-CG 3.29Å; I606-R614 WeakPolarHBondContact O-CG 3.32Å; N608-R614 HydrophobicContact CB-CG 4.19Å; N608-R614 WeakPolarHBondContact O-CD 3.44Å; N608-R614 WeakPolarHBondContact O-CG 3.27Å; N608-R614 PolarHBondContact O-NE 3.42Å; N608-R614 VanDerWaalsContact O-NE 3.12Å; H610-R614 PolarHBondContact O-N 3.41Å; P611-R614 PolarHBondContact O-N 2.99Å; R614-M616 PolarHBondContact O-N 2.84Å; R614-A617 WeakPolarHBondContact O-CB 3.48Å; R614-A617 PolarHBondContact O-N 3.34Å; R614-V618 WeakPolarHBondContact O-CG2 3.37Å; R614-V618 PolarHBondContact O-N 2.99Å; R614-D646 IonicContact CZ-OD1 3.22Å; R614-D646 VanDerWaalsContact CZ-OD1 3.27Å; R614-D646 IonicContact CZ-OD2 2.62Å; R614-D646 IonicContact NH1-OD1 3.83Å; R614-D646 PolarHBondContact NH1-OD1 3.36Å; R614-D646 IonicContact NH1-OD2 3.58Å; R614-D646 PolarHBondContact NH1-OD2 3.49Å; R614-D646 IonicContact NH2-OD1 3.01Å; R614-D646 PolarHBondContact NH2-OD1 2.96Å; R614-E647 IonicContact NH2-OE1 3.6Å; R614-E647 PolarHBondContact NH2-OE1 3.49Å; R614-I650 HydrophobicContact CB-CD1 3.91Å |
| 615 | N | 97.3 | Very high | 95.2 | Very high | 39 Ų | 39 | 28.2 Ų | 28.2 | 21% | 0.209 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59 | -48.7 | 179 | -174.6 | 72.2 | 0 | 0 | 0 | 111.8 | P611 V613 A617 V618 V619 K649 I650 S653 | P611-N615 WeakPolarHBondContact O-CB 3.33Å; P611-N615 PolarHBondContact O-N 2.88Å; V613-N615 VanDerWaalsContact C-N 3.34Å; V613-N615 PolarHBondContact O-N 3.37Å; N615-A617 VanDerWaalsContact C-N 3.33Å; N615-A617 PolarHBondContact O-N 2.92Å; N615-V618 PolarHBondContact O-N 3.42Å; N615-V619 WeakPolarHBondContact O-CG2 3.48Å; N615-V619 PolarHBondContact O-N 3.05Å; N615-K649 PolarHBondContact OD1-O 3.45Å; N615-I650 HydrophobicContact CB-CG1 3.83Å; N615-S653 WeakPolarHBondContact OD1-CB 3.48Å; N615-S653 PolarHBondContact OD1-OG 3.28Å |
| 616 | M | 96.9 | Very high | 95.1 | Very high | 39 Ų | 39 | 29.8 Ų | 29.8 | 19% | 0.192 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.3 | -36.3 | 179.2 | -165.1 | 61.8 | 64.5 | 0 | 0 | 111.6 | L571 L574 A578 A612 V613 R614 V618 V619 C620 | L571-M616 HydrophobicContact CD1-CB 3.95Å; L571-M616 HydrophobicContact CD1-CG 4.44Å; L574-M616 HydrophobicContact CB-CB 3.96Å; L574-M616 HydrophobicContact CB-CG 3.51Å; L574-M616 HydrophobicContact CD1-CB 4.34Å; A578-M616 HydrophobicContact CB-SD 3.78Å; A612-M616 PolarHBondContact O-N 3.27Å; A612-M616 VanDerWaalsContact O-N 3.13Å; V613-M616 PolarHBondContact O-N 3.07Å; R614-M616 PolarHBondContact O-N 2.84Å; M616-V618 VanDerWaalsContact C-N 3.32Å; M616-V618 PolarHBondContact O-N 2.7Å; M616-V619 WeakPolarHBondContact O-CB 3.31Å; M616-V619 PolarHBondContact O-N 2.95Å; M616-V619 HydrophobicContact SD-CB 4.4Å; M616-C620 PolarHBondContact O-N 2.9Å; M616-C620 PolarHBondContact O-SG 2.87Å; M616-C620 VanDerWaalsContact O-SG 3.33Å |
| 617 | A | 97.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61 | -40 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L574 V602 I606 V613 R614 N615 C620 L621 | L574-A617 HydrophobicContact CD1-CB 4.15Å; L574-A617 HydrophobicContact CD2-CB 4.26Å; V602-A617 WeakPolarHBondContact CG1-O 3.44Å; I606-A617 HydrophobicContact CG1-CB 3.94Å; V613-A617 WeakPolarHBondContact O-CB 3.34Å; V613-A617 PolarHBondContact O-N 3.08Å; R614-A617 WeakPolarHBondContact O-CB 3.48Å; R614-A617 PolarHBondContact O-N 3.34Å; N615-A617 VanDerWaalsContact C-N 3.33Å; N615-A617 PolarHBondContact O-N 2.92Å; A617-C620 PolarHBondContact O-N 3.49Å; A617-L621 WeakPolarHBondContact O-CB 3.21Å; A617-L621 PolarHBondContact O-N 3.45Å |
| 618 | V | 97.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.6 | -40.5 | 174.6 | 173.9 | 0 | 0 | 0 | 0 | 111.4 | R614 N615 M616 L621 G622 L639 I642 I650 A654 | R614-V618 WeakPolarHBondContact O-CG2 3.37Å; R614-V618 PolarHBondContact O-N 2.99Å; N615-V618 PolarHBondContact O-N 3.42Å; M616-V618 VanDerWaalsContact C-N 3.32Å; M616-V618 PolarHBondContact O-N 2.7Å; V618-L621 PolarHBondContact O-N 3.22Å; V618-G622 PolarHBondContact O-N 3.39Å; V618-L639 HydrophobicContact CG1-CD2 4.27Å; V618-I642 HydrophobicContact CG2-CD1 3.97Å; V618-I642 HydrophobicContact CG2-CG2 4.07Å; V618-I650 HydrophobicContact CG2-CG2 3.85Å; V618-A654 HydrophobicContact CG1-CB 3.92Å |
| 619 | V | 97.1 | Very high | 94.4 | Very high | 35 Ų | 35 | 29 Ų | 29 | 21% | 0.212 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.3 | -45.7 | 173.7 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | A578 N615 M616 T623 | A578-V619 HydrophobicContact CB-CG1 4.36Å; N615-V619 WeakPolarHBondContact O-CG2 3.48Å; N615-V619 PolarHBondContact O-N 3.05Å; M616-V619 WeakPolarHBondContact O-CB 3.31Å; M616-V619 PolarHBondContact O-N 2.95Å; M616-V619 HydrophobicContact SD-CB 4.4Å; V619-T623 WeakPolarHBondContact O-CB 3.42Å; V619-T623 PolarHBondContact O-N 3.43Å; V619-T623 PolarHBondContact O-OG1 3.24Å |
| 620 | C | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.7 | -48.2 | 174.6 | -67.9 | 0 | 0 | 0 | 0 | 111.7 | L574 L581 V602 M616 A617 T623 C624 | L574-C620 PolarHBondContact O-SG 2.92Å; L581-C620 HydrophobicContact CD1-CB 4.15Å; L581-C620 WeakPolarHBondContact CD1-O 3.32Å; V602-C620 HydrophobicContact CB-CB 4.48Å; V602-C620 HydrophobicContact CG1-CB 3.81Å; V602-C620 HydrophobicContact CG2-CB 3.8Å; M616-C620 PolarHBondContact O-N 2.9Å; M616-C620 PolarHBondContact O-SG 2.87Å; M616-C620 VanDerWaalsContact O-SG 3.33Å; A617-C620 PolarHBondContact O-N 3.49Å; C620-T623 PolarHBondContact O-N 3.28Å; C620-C624 WeakPolarHBondContact O-CB 3.13Å; C620-C624 PolarHBondContact O-N 3.48Å |
| 621 | L | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59 | -52.8 | 179.1 | 175.9 | 64.2 | 0 | 0 | 0 | 110.7 | M598 V602 L603 I606 A617 V618 T623 C624 T625 H635 L638 L639 | M598-L621 HydrophobicContact CE-CD1 3.54Å; V602-L621 HydrophobicContact CG1-CB 4.07Å; L603-L621 HydrophobicContact CD2-CD1 4.3Å; I606-L621 HydrophobicContact CD1-CB 4.36Å; I606-L621 HydrophobicContact CD1-CD2 3.56Å; I606-L621 HydrophobicContact CD1-CG 4.44Å; A617-L621 WeakPolarHBondContact O-CB 3.21Å; A617-L621 PolarHBondContact O-N 3.45Å; V618-L621 PolarHBondContact O-N 3.22Å; L621-T623 PolarHBondContact O-N 3.07Å; L621-C624 PolarHBondContact O-N 3.42Å; L621-T625 HydrophobicContact CD1-CG2 4.15Å; L621-T625 VanDerWaalsContact O-CG2 3.28Å; L621-T625 WeakPolarHBondContact O-CG2 3.43Å; L621-T625 PolarHBondContact O-N 3.05Å; L621-T625 PolarHBondContact O-OG1 3.48Å; L621-H635 HydrophobicContact CD1-CB 3.92Å; L621-H635 HydrophobicContact CD2-CB 4.37Å; L621-H635 HydrophobicContact CG-CB 4.47Å; L621-L638 HydrophobicContact CD2-CD2 3.88Å; L621-L638 HydrophobicContact CD2-CG 4.41Å; L621-L639 HydrophobicContact CD2-CD2 3.89Å; L621-L639 HydrophobicContact CD2-CG 4.23Å; L621-L639 HydrophobicContact CG-CD2 4.3Å |
| 622 | G | 94.7 | Very high | 93.9 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 3% | 0.031 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -56.5 | -48.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V618 C624 T625 L626 | V618-G622 PolarHBondContact O-N 3.39Å; G622-C624 PolarHBondContact O-N 2.97Å; G622-T625 PolarHBondContact O-N 3.27Å; G622-T625 PolarHBondContact O-OG1 3.32Å; G622-L626 PolarHBondContact O-N 2.64Å |
| 623 | T | 93.8 | Very high | 93.7 | Very high | 23 Ų | 23 | 29.2 Ų | 29.2 | 14% | 0.141 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.6 | -42.6 | 178.8 | -47.9 | 0 | 0 | 0 | 0 | 111.6 | L581 K582 V619 C620 L621 T625 L626 H627 | L581-T623 HydrophobicContact CB-CG2 3.7Å; K582-T623 HydrophobicContact CG-CG2 4.21Å; V619-T623 WeakPolarHBondContact O-CB 3.42Å; V619-T623 PolarHBondContact O-N 3.43Å; V619-T623 PolarHBondContact O-OG1 3.24Å; C620-T623 PolarHBondContact O-N 3.28Å; L621-T623 PolarHBondContact O-N 3.07Å; T623-T625 VanDerWaalsContact C-N 3.3Å; T623-T625 PolarHBondContact O-N 2.65Å; T623-L626 WeakPolarHBondContact O-CB 3.22Å; T623-L626 PolarHBondContact O-N 3.15Å; T623-H627 PolarHBondContact O-CD2 3.18Å; T623-H627 VanDerWaalsContact O-CD2 3.23Å |
| 624 | C | 92.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.7 | -38.7 | 177.4 | -172.2 | 0 | 0 | 0 | 0 | 111.9 | L581 M598 C620 L621 G622 L626 H627 | L581-C624 HydrophobicContact CD1-CB 4.04Å; L581-C624 HydrophobicContact CD2-CB 4.25Å; M598-C624 HydrophobicContact CE-CB 4.2Å; M598-C624 HydrophobicContact SD-CB 3.69Å; M598-C624 VanDerWaalsContact SD-SG 3.6Å; C620-C624 WeakPolarHBondContact O-CB 3.13Å; C620-C624 PolarHBondContact O-N 3.48Å; L621-C624 PolarHBondContact O-N 3.42Å; G622-C624 PolarHBondContact O-N 2.97Å; C624-L626 PolarHBondContact O-N 3Å; C624-H627 PolarHBondContact O-N 3.47Å; C624-H627 VanDerWaalsContact O-N 3.16Å |
| 625 | T | 92.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.3 | -21.4 | 179.3 | 56.1 | 0 | 0 | 0 | 0 | 113.5 | L621 G622 T623 H627 S628 L631 H635 | L621-T625 HydrophobicContact CD1-CG2 4.15Å; L621-T625 VanDerWaalsContact O-CG2 3.28Å; L621-T625 WeakPolarHBondContact O-CG2 3.43Å; L621-T625 PolarHBondContact O-N 3.05Å; L621-T625 PolarHBondContact O-OG1 3.48Å; G622-T625 PolarHBondContact O-N 3.27Å; G622-T625 PolarHBondContact O-OG1 3.32Å; T623-T625 VanDerWaalsContact C-N 3.3Å; T623-T625 PolarHBondContact O-N 2.65Å; T625-H627 PolarHBondContact O-N 3.07Å; T625-S628 PolarHBondContact O-N 3.33Å; T625-S628 VanDerWaalsContact O-O 3.07Å; T625-L631 HydrophobicContact CG2-CB 4.44Å; T625-H635 HydrophobicContact CG2-CB 4.02Å |
| 626 | L | 92.1 | Very high | 93 | Very high | 35 Ų | 35 | 31.8 Ų | 31.8 | 18% | 0.183 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -23.7 | 174.4 | -63.5 | 170.1 | 0 | 0 | 0 | 112.9 | G622 T623 C624 D660 L661 L664 | G622-L626 PolarHBondContact O-N 2.64Å; T623-L626 WeakPolarHBondContact O-CB 3.22Å; T623-L626 PolarHBondContact O-N 3.15Å; C624-L626 PolarHBondContact O-N 3Å; L626-D660 HydrophobicContact CD2-CB 3.94Å; L626-L661 HydrophobicContact CD2-CD2 3.92Å; L626-L661 HydrophobicContact CD2-CG 4.43Å; L626-L664 HydrophobicContact CB-CD2 4.3Å; L626-L664 HydrophobicContact CD2-CD2 3.99Å; L626-L664 WeakPolarHBondContact O-CD2 3.3Å |
| 627 | H | 89.8 | Confident | 92.8 | Very high | 20 Ų | 20 | 34.2 Ų | 34.2 | 9% | 0.093 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -15.1 | -178.5 | -65.4 | -84.3 | 0 | 0 | 0 | 113.6 | L581 T590 T623 C624 T625 | L581-H627 PolarHBondContact O-NE2 3.02Å; L581-H627 VanDerWaalsContact O-NE2 3.09Å; T590-H627 HydrophobicContact CG2-CB 4.08Å; T623-H627 PolarHBondContact O-CD2 3.18Å; T623-H627 VanDerWaalsContact O-CD2 3.23Å; C624-H627 PolarHBondContact O-N 3.47Å; C624-H627 VanDerWaalsContact O-N 3.16Å; T625-H627 PolarHBondContact O-N 3.07Å |
| 628 | S | 89.2 | Confident | 92.6 | Very high | 24 Ų | 24 | 36.6 Ų | 36.6 | 17% | 0.168 | 19% | 0.192 | C | C | . | . | trans | -149.5 | 122.3 | -179.5 | 174.9 | 0 | 0 | 0 | 0 | 112.8 | T625 E630 L631 A632 | T625-S628 PolarHBondContact O-N 3.33Å; T625-S628 VanDerWaalsContact O-O 3.07Å; S628-E630 PolarHBondContact O-N 2.9Å; S628-E630 PolarHBondContact OG-N 2.92Å; S628-L631 VanDerWaalsContact CB-CD1 3.46Å; S628-L631 PolarHBondContact O-N 3.14Å; S628-L631 PolarHBondContact OG-N 3.24Å; S628-A632 WeakPolarHBondContact O-CB 3.39Å; S628-A632 PolarHBondContact O-N 2.89Å | ||
| 629 | K | 89.1 | Confident | 92.5 | Very high | 84 Ų | 84 | 36.6 Ų | 36.6 | 37% | 0.365 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -58.8 | -33.2 | 175 | -171.6 | 174.8 | -177.8 | 174.9 | 0 | 112 | K633 F665 L669 | K629-K633 WeakPolarHBondContact O-CG 3.47Å; K629-K633 PolarHBondContact O-N 3.37Å; K629-F665 HydrophobicContact CB-CD1 4.22Å; K629-F665 HydrophobicContact CB-CE1 4.02Å; K629-F665 HydrophobicContact CB-CZ 4.35Å; K629-F665 HydrophobicContact CD-CD1 4.44Å; K629-F665 HydrophobicContact CG-CD1 4.23Å; K629-F665 HydrophobicContact CG-CG 4.45Å; K629-L669 HydrophobicContact CG-CD1 3.97Å |
| 630 | E | 88.6 | Confident | 92.4 | Very high | 154 Ų | 154 | 36 Ų | 36 | 72% | 0.72 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -68.8 | -48.3 | 177.8 | -68.3 | 176.3 | -175.2 | 0 | 0 | 111.2 | S628 A632 K633 T634 | S628-E630 PolarHBondContact O-N 2.9Å; S628-E630 PolarHBondContact OG-N 2.92Å; E630-A632 VanDerWaalsContact C-N 3.3Å; E630-A632 PolarHBondContact O-N 3.32Å; E630-K633 WeakPolarHBondContact O-CB 3.29Å; E630-K633 PolarHBondContact O-N 3.3Å; E630-K633 VanDerWaalsContact O-N 3.13Å; E630-T634 PolarHBondContact O-N 3.42Å; E630-T634 PolarHBondContact O-OG1 3.29Å; E630-T634 VanDerWaalsContact O-OG1 3.09Å |
| 631 | L | 89.6 | Confident | 92.2 | Very high | 36 Ų | 36 | 40.8 Ų | 40.8 | 19% | 0.188 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.5 | -40.9 | 174.7 | -85.7 | 104.7 | 0 | 0 | 0 | 111.7 | T590 T625 S628 K633 T634 H635 | T590-L631 HydrophobicContact CG2-CD1 4.27Å; T625-L631 HydrophobicContact CG2-CB 4.44Å; S628-L631 VanDerWaalsContact CB-CD1 3.46Å; S628-L631 PolarHBondContact O-N 3.14Å; S628-L631 PolarHBondContact OG-N 3.24Å; L631-K633 VanDerWaalsContact C-N 3.32Å; L631-K633 PolarHBondContact O-N 3.5Å; L631-T634 PolarHBondContact O-N 3.37Å; L631-H635 PolarHBondContact O-CD2 3.4Å; L631-H635 VanDerWaalsContact O-CD2 3.28Å; L631-H635 PolarHBondContact O-N 2.96Å |
| 632 | A | 91.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.2 | -43.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S628 E630 H635 M636 L661 F665 L669 | S628-A632 WeakPolarHBondContact O-CB 3.39Å; S628-A632 PolarHBondContact O-N 2.89Å; E630-A632 VanDerWaalsContact C-N 3.3Å; E630-A632 PolarHBondContact O-N 3.32Å; A632-H635 PolarHBondContact O-N 3.35Å; A632-M636 VanDerWaalsContact O-CB 3.24Å; A632-M636 WeakPolarHBondContact O-CB 3.31Å; A632-M636 PolarHBondContact O-N 3Å; A632-L661 HydrophobicContact CB-CD1 4.45Å; A632-L661 HydrophobicContact CB-CD2 3.69Å; A632-F665 HydrophobicContact CB-CD2 4.12Å; A632-F665 HydrophobicContact CB-CE2 3.92Å; A632-L669 HydrophobicContact CB-CD1 3.66Å; A632-L669 HydrophobicContact CB-CD2 4.1Å |
| 633 | K | 90.6 | Very high | 92.3 | Very high | 78 Ų | 78 | 41.2 Ų | 41.2 | 34% | 0.339 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.5 | -46.2 | 175 | -75 | -167.9 | 175 | -158.2 | 0 | 111.6 | K629 E630 L631 H635 L669 S671 | K629-K633 WeakPolarHBondContact O-CG 3.47Å; K629-K633 PolarHBondContact O-N 3.37Å; E630-K633 WeakPolarHBondContact O-CB 3.29Å; E630-K633 PolarHBondContact O-N 3.3Å; E630-K633 VanDerWaalsContact O-N 3.13Å; L631-K633 VanDerWaalsContact C-N 3.32Å; L631-K633 PolarHBondContact O-N 3.5Å; K633-H635 VanDerWaalsContact C-N 3.33Å; K633-H635 PolarHBondContact O-N 3.48Å; K633-L669 HydrophobicContact CB-CD1 4.47Å; K633-L669 WeakPolarHBondContact CE-O 3.25Å; K633-L669 HydrophobicContact CG-CD1 3.55Å; K633-L669 HydrophobicContact CG-CG 3.86Å; K633-L669 WeakPolarHBondContact CG-O 3.47Å; K633-S671 PolarHBondContact NZ-O 3.27Å |
| 634 | T | 91.1 | Very high | 92.3 | Very high | 102 Ų | 102 | 44.2 Ų | 44.2 | 63% | 0.626 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -62 | -39.4 | -178.6 | -55.8 | 0 | 0 | 0 | 0 | 112.5 | E630 L631 | E630-T634 PolarHBondContact O-N 3.42Å; E630-T634 PolarHBondContact O-OG1 3.29Å; E630-T634 VanDerWaalsContact O-OG1 3.09Å; L631-T634 PolarHBondContact O-N 3.37Å |
| 635 | H | 93.1 | Very high | 92.4 | Very high | 30 Ų | 30 | 51.1 Ų | 51.1 | 14% | 0.139 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -104.6 | -2.4 | -172 | -61.8 | -63.1 | 0 | 0 | 0 | 115.1 | L621 T625 L631 A632 K633 V637 L638 L639 | L621-H635 HydrophobicContact CD1-CB 3.92Å; L621-H635 HydrophobicContact CD2-CB 4.37Å; L621-H635 HydrophobicContact CG-CB 4.47Å; T625-H635 HydrophobicContact CG2-CB 4.02Å; L631-H635 PolarHBondContact O-CD2 3.4Å; L631-H635 VanDerWaalsContact O-CD2 3.28Å; L631-H635 PolarHBondContact O-N 2.96Å; A632-H635 PolarHBondContact O-N 3.35Å; K633-H635 VanDerWaalsContact C-N 3.33Å; K633-H635 PolarHBondContact O-N 3.48Å; H635-V637 VanDerWaalsContact C-N 3.34Å; H635-V637 PolarHBondContact O-N 3.36Å; H635-L638 WeakPolarHBondContact O-CB 3.31Å; H635-L638 PolarHBondContact O-N 3.07Å; H635-L639 PolarHBondContact O-N 2.95Å |
| 636 | M | 92 | Very high | 92.5 | Very high | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.02 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.8 | -44.7 | 178.2 | 176 | 56.3 | 75.4 | 0 | 0 | 112.3 | A632 L638 L639 L640 I658 L661 L669 L670 | A632-M636 VanDerWaalsContact O-CB 3.24Å; A632-M636 WeakPolarHBondContact O-CB 3.31Å; A632-M636 PolarHBondContact O-N 3Å; M636-L638 VanDerWaalsContact C-N 3.31Å; M636-L638 PolarHBondContact O-N 2.87Å; M636-L639 PolarHBondContact O-N 3.41Å; M636-L640 HydrophobicContact CG-CD1 4.04Å; M636-L640 WeakPolarHBondContact O-CG 3.41Å; M636-L640 PolarHBondContact O-N 2.86Å; M636-L640 HydrophobicContact SD-CD1 4.18Å; M636-L640 HydrophobicContact SD-CG 4.11Å; M636-I658 HydrophobicContact SD-CG1 4.25Å; M636-I658 HydrophobicContact SD-CG2 4.3Å; M636-L661 HydrophobicContact CE-CB 3.88Å; M636-L661 HydrophobicContact CE-CD1 3.71Å; M636-L661 HydrophobicContact CE-CG 4.47Å; M636-L669 HydrophobicContact CB-CD2 4.05Å; M636-L669 HydrophobicContact CE-CD2 3.23Å; M636-L669 HydrophobicContact CG-CD2 4.16Å; M636-L670 HydrophobicContact CG-CD2 3.94Å |
| 637 | V | 91.4 | Very high | 92.6 | Very high | 89 Ų | 89 | 55.5 Ų | 55.5 | 54% | 0.539 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 179.5 | 179.6 | 0 | 0 | 0 | 0 | 111.4 | H635 L640 Q641 | H635-V637 VanDerWaalsContact C-N 3.34Å; H635-V637 PolarHBondContact O-N 3.36Å; V637-L640 PolarHBondContact O-N 3.26Å; V637-Q641 WeakPolarHBondContact O-CG 3.44Å; V637-Q641 PolarHBondContact O-N 3.28Å |
| 638 | L | 94.4 | Very high | 92.8 | Very high | 51 Ų | 51 | 56.9 Ų | 56.9 | 27% | 0.267 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.1 | -45.4 | 176.4 | 177.6 | 60.2 | 0 | 0 | 0 | 111.2 | I606 L621 H635 M636 L640 Q641 I642 | I606-L638 HydrophobicContact CD1-CD2 3.86Å; L621-L638 HydrophobicContact CD2-CD2 3.88Å; L621-L638 HydrophobicContact CD2-CG 4.41Å; H635-L638 WeakPolarHBondContact O-CB 3.31Å; H635-L638 PolarHBondContact O-N 3.07Å; M636-L638 VanDerWaalsContact C-N 3.31Å; M636-L638 PolarHBondContact O-N 2.87Å; L638-L640 VanDerWaalsContact C-N 3.31Å; L638-L640 PolarHBondContact O-N 2.95Å; L638-Q641 PolarHBondContact O-N 3.29Å; L638-I642 HydrophobicContact CD1-CD1 4.05Å; L638-I642 HydrophobicContact CD1-CG1 4.35Å; L638-I642 HydrophobicContact CG-CD1 3.94Å; L638-I642 VanDerWaalsContact O-CG1 3.25Å; L638-I642 WeakPolarHBondContact O-CG1 3.32Å; L638-I642 PolarHBondContact O-N 3.47Å |
| 639 | L | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61 | -40.1 | 176.2 | -69.8 | 170.8 | 0 | 0 | 0 | 111.9 | V618 L621 H635 M636 I642 A643 A657 I658 L661 | V618-L639 HydrophobicContact CG1-CD2 4.27Å; L621-L639 HydrophobicContact CD2-CD2 3.89Å; L621-L639 HydrophobicContact CD2-CG 4.23Å; L621-L639 HydrophobicContact CG-CD2 4.3Å; H635-L639 PolarHBondContact O-N 2.95Å; M636-L639 PolarHBondContact O-N 3.41Å; L639-I642 PolarHBondContact O-N 3.35Å; L639-A643 WeakPolarHBondContact O-CB 3.37Å; L639-A643 PolarHBondContact O-N 3.22Å; L639-A657 HydrophobicContact CD1-CB 4.25Å; L639-A657 HydrophobicContact CD2-CB 4.24Å; L639-I658 HydrophobicContact CB-CD1 4.24Å; L639-I658 HydrophobicContact CB-CG1 3.88Å; L639-L661 HydrophobicContact CD1-CD1 3.7Å |
| 640 | L | 93.8 | Very high | 93.5 | Very high | 23 Ų | 23 | 59.8 Ų | 59.8 | 12% | 0.12 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 176.1 | -71.4 | 167.4 | 0 | 0 | 0 | 112.2 | M636 V637 L638 A643 Q644 I658 I709 M712 | M636-L640 HydrophobicContact CG-CD1 4.04Å; M636-L640 WeakPolarHBondContact O-CG 3.41Å; M636-L640 PolarHBondContact O-N 2.86Å; M636-L640 HydrophobicContact SD-CD1 4.18Å; M636-L640 HydrophobicContact SD-CG 4.11Å; V637-L640 PolarHBondContact O-N 3.26Å; L638-L640 VanDerWaalsContact C-N 3.31Å; L638-L640 PolarHBondContact O-N 2.95Å; L640-A643 PolarHBondContact O-N 3.21Å; L640-Q644 WeakPolarHBondContact O-CG 3.26Å; L640-Q644 PolarHBondContact O-N 3.37Å; L640-I658 HydrophobicContact CD2-CD1 3.84Å; L640-I658 HydrophobicContact CD2-CG1 4.46Å; L640-I658 HydrophobicContact CD2-CG2 4.47Å; L640-I658 HydrophobicContact CG-CD1 4.33Å; L640-I709 HydrophobicContact CD1-CD1 4.02Å; L640-I709 HydrophobicContact CD1-CG1 4.04Å; L640-I709 HydrophobicContact CD2-CD1 4.15Å; L640-I709 HydrophobicContact CD2-CG1 3.83Å; L640-M712 HydrophobicContact CD2-CE 3.59Å |
| 641 | Q | 94.3 | Very high | 93.9 | Very high | 101 Ų | 101 | 54.8 Ų | 54.8 | 47% | 0.472 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.6 | -45 | 176.1 | -72.8 | 173.5 | -18.2 | 0 | 0 | 111.7 | V637 L638 A643 Q644 L645 | V637-Q641 WeakPolarHBondContact O-CG 3.44Å; V637-Q641 PolarHBondContact O-N 3.28Å; L638-Q641 PolarHBondContact O-N 3.29Å; Q641-A643 VanDerWaalsContact C-N 3.34Å; Q641-A643 PolarHBondContact O-N 3.37Å; Q641-Q644 PolarHBondContact O-N 2.84Å; Q641-L645 WeakPolarHBondContact O-CB 3.36Å; Q641-L645 WeakPolarHBondContact O-CG 3.48Å; Q641-L645 PolarHBondContact O-N 3.49Å |
| 642 | I | 96.4 | Very high | 94.2 | Very high | 11 Ų | 11 | 53.8 Ų | 53.8 | 6% | 0.056 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 177.7 | -64.5 | 164.7 | 0 | 0 | 0 | 110.4 | I606 V618 L638 L639 Q644 L645 D646 I650 R651 A654 | I606-I642 HydrophobicContact CG2-CD1 3.72Å; V618-I642 HydrophobicContact CG2-CD1 3.97Å; V618-I642 HydrophobicContact CG2-CG2 4.07Å; L638-I642 HydrophobicContact CD1-CD1 4.05Å; L638-I642 HydrophobicContact CD1-CG1 4.35Å; L638-I642 HydrophobicContact CG-CD1 3.94Å; L638-I642 VanDerWaalsContact O-CG1 3.25Å; L638-I642 WeakPolarHBondContact O-CG1 3.32Å; L638-I642 PolarHBondContact O-N 3.47Å; L639-I642 PolarHBondContact O-N 3.35Å; I642-Q644 PolarHBondContact O-N 2.95Å; I642-L645 PolarHBondContact O-N 3.05Å; I642-D646 HydrophobicContact CG2-CB 3.98Å; I642-D646 VanDerWaalsContact O-CB 3.31Å; I642-D646 WeakPolarHBondContact O-CB 3.38Å; I642-D646 PolarHBondContact O-N 3.36Å; I642-I650 HydrophobicContact CG2-CG2 3.54Å; I642-R651 WeakPolarHBondContact O-CG 3.08Å; I642-A654 HydrophobicContact CB-CB 4.1Å; I642-A654 HydrophobicContact CG2-CB 3.78Å |
| 643 | A | 95.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.5 | -28.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L639 L640 Q641 R651 A654 I658 F716 | L639-A643 WeakPolarHBondContact O-CB 3.37Å; L639-A643 PolarHBondContact O-N 3.22Å; L640-A643 PolarHBondContact O-N 3.21Å; Q641-A643 VanDerWaalsContact C-N 3.34Å; Q641-A643 PolarHBondContact O-N 3.37Å; A643-R651 WeakPolarHBondContact O-CD 3.3Å; A643-R651 VanDerWaalsContact O-CG 3.28Å; A643-R651 WeakPolarHBondContact O-CG 3.38Å; A643-R651 PolarHBondContact O-NE 2.87Å; A643-A654 HydrophobicContact CB-CB 3.98Å; A643-I658 HydrophobicContact CB-CD1 3.8Å; A643-F716 HydrophobicContact CB-CE2 4.38Å; A643-F716 WeakPolarHBondContact O-CZ 3.41Å |
| 644 | Q | 94.1 | Very high | 94.8 | Very high | 86 Ų | 86 | 50.9 Ų | 50.9 | 40% | 0.402 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -89.3 | -40.5 | 179.8 | -71.5 | 176.9 | -23.4 | 0 | 0 | 113.5 | L640 Q641 I642 M712 F716 | L640-Q644 WeakPolarHBondContact O-CG 3.26Å; L640-Q644 PolarHBondContact O-N 3.37Å; Q641-Q644 PolarHBondContact O-N 2.84Å; I642-Q644 PolarHBondContact O-N 2.95Å; Q644-M712 HydrophobicContact CG-CG 4.12Å; Q644-F716 HydrophobicContact CG-CZ 4.46Å |
| 645 | L | 94.6 | Very high | 95.1 | Very high | 146 Ų | 146 | 46 Ų | 46 | 76% | 0.764 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -105.7 | -20.8 | -162.5 | -60.2 | 176.5 | 0 | 0 | 0 | 114.9 | Q641 I642 | Q641-L645 WeakPolarHBondContact O-CB 3.36Å; Q641-L645 WeakPolarHBondContact O-CG 3.48Å; Q641-L645 PolarHBondContact O-N 3.49Å; I642-L645 PolarHBondContact O-N 3.05Å |
| 646 | D | 95.6 | Very high | 95.3 | Very high | 29 Ų | 29 | 50 Ų | 50 | 16% | 0.155 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -86 | -175.6 | -169.5 | -143.7 | -38.8 | 0 | 0 | 0 | 113.6 | R614 I642 I650 R651 | R614-D646 IonicContact CZ-OD1 3.22Å; R614-D646 VanDerWaalsContact CZ-OD1 3.27Å; R614-D646 IonicContact CZ-OD2 2.62Å; R614-D646 IonicContact NH1-OD1 3.83Å; R614-D646 PolarHBondContact NH1-OD1 3.36Å; R614-D646 IonicContact NH1-OD2 3.58Å; R614-D646 PolarHBondContact NH1-OD2 3.49Å; R614-D646 IonicContact NH2-OD1 3.01Å; R614-D646 PolarHBondContact NH2-OD1 2.96Å; I642-D646 HydrophobicContact CG2-CB 3.98Å; I642-D646 VanDerWaalsContact O-CB 3.31Å; I642-D646 WeakPolarHBondContact O-CB 3.38Å; I642-D646 PolarHBondContact O-N 3.36Å; D646-I650 HydrophobicContact CB-CB 4.12Å; D646-I650 HydrophobicContact CB-CG2 4.02Å; D646-I650 VanDerWaalsContact OD1-CD1 3.24Å; D646-I650 WeakPolarHBondContact OD1-CD1 3.42Å; D646-R651 HydrophobicContact CB-CG 4.19Å; D646-R651 WeakPolarHBondContact O-CD 3.35Å; D646-R651 WeakPolarHBondContact O-CG 3.46Å |
| 647 | E | 94.6 | Very high | 95.5 | Very high | 98 Ų | 98 | 50.2 Ų | 50.2 | 46% | 0.458 | 25% | 0.245 | S | C | . | . | trans | -67.3 | 151.8 | 172.6 | -66.3 | 177.2 | -151.6 | 0 | 0 | 111.6 | P611 R614 K649 I650 R651 | P611-E647 WeakPolarHBondContact CB-OE2 3.12Å; P611-E647 WeakPolarHBondContact CG-OE1 3.26Å; R614-E647 IonicContact NH2-OE1 3.6Å; R614-E647 PolarHBondContact NH2-OE1 3.49Å; E647-K649 VanDerWaalsContact C-N 3.31Å; E647-K649 PolarHBondContact O-N 3.06Å; E647-K649 VanDerWaalsContact O-N 3.13Å; E647-I650 HydrophobicContact CB-CD1 4.24Å; E647-I650 PolarHBondContact O-N 3.49Å; E647-R651 WeakPolarHBondContact O-CG 3.48Å; E647-R651 PolarHBondContact O-N 3.45Å | ||
| 648 | V | 93.8 | Very high | 95.8 | Very high | 48 Ų | 48 | 46 Ų | 46 | 29% | 0.291 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -51.6 | -44.5 | -170.7 | 179.7 | 0 | 0 | 0 | 0 | 113.1 | I650 R651 I652 M721 | V648-I650 PolarHBondContact O-N 2.87Å; V648-R651 PolarHBondContact O-N 3.17Å; V648-I652 HydrophobicContact CG1-CD1 4Å; V648-I652 WeakPolarHBondContact O-CD1 3.47Å; V648-I652 VanDerWaalsContact O-CG1 3.3Å; V648-I652 WeakPolarHBondContact O-CG1 3.4Å; V648-I652 PolarHBondContact O-N 3.35Å; V648-M721 HydrophobicContact CG1-CB 4.49Å; V648-M721 HydrophobicContact CG1-CE 4.34Å; V648-M721 HydrophobicContact CG1-CG 4.46Å; V648-M721 HydrophobicContact CG2-CE 4.33Å; V648-M721 HydrophobicContact CG2-CG 4.22Å |
| 649 | K | 95.2 | Very high | 95.8 | Very high | 167 Ų | 167 | 43.9 Ų | 43.9 | 73% | 0.726 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -62.8 | -41.1 | 178.9 | -70.3 | -174.9 | 178.4 | 179.6 | 0 | 112.5 | N615 E647 I652 S653 | N615-K649 PolarHBondContact OD1-O 3.45Å; E647-K649 VanDerWaalsContact C-N 3.31Å; E647-K649 PolarHBondContact O-N 3.06Å; E647-K649 VanDerWaalsContact O-N 3.13Å; K649-I652 PolarHBondContact O-N 3.42Å; K649-S653 PolarHBondContact O-N 3.03Å; K649-S653 PolarHBondContact O-OG 2.75Å |
| 650 | I | 96.9 | Very high | 95.8 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72.2 | -40.2 | -179.5 | -59 | 164.7 | 0 | 0 | 0 | 109.9 | P611 R614 N615 V618 I642 D646 E647 V648 I652 S653 A654 | P611-I650 HydrophobicContact CB-CD1 4.16Å; R614-I650 HydrophobicContact CB-CD1 3.91Å; N615-I650 HydrophobicContact CB-CG1 3.83Å; V618-I650 HydrophobicContact CG2-CG2 3.85Å; I642-I650 HydrophobicContact CG2-CG2 3.54Å; D646-I650 HydrophobicContact CB-CB 4.12Å; D646-I650 HydrophobicContact CB-CG2 4.02Å; D646-I650 VanDerWaalsContact OD1-CD1 3.24Å; D646-I650 WeakPolarHBondContact OD1-CD1 3.42Å; E647-I650 HydrophobicContact CB-CD1 4.24Å; E647-I650 PolarHBondContact O-N 3.49Å; V648-I650 PolarHBondContact O-N 2.87Å; I650-I652 VanDerWaalsContact C-N 3.29Å; I650-I652 PolarHBondContact O-N 3.47Å; I650-S653 WeakPolarHBondContact O-CB 3.4Å; I650-S653 PolarHBondContact O-N 3.12Å; I650-S653 VanDerWaalsContact O-N 3.16Å; I650-A654 PolarHBondContact O-N 2.99Å |
| 651 | R | 96.6 | Very high | 95.9 | Very high | 49 Ų | 49 | 46.3 Ų | 46.3 | 19% | 0.185 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.6 | -41.5 | 173.5 | -69.1 | 177.2 | 59 | -178.3 | 5.9 | 112.1 | I642 A643 D646 E647 V648 A654 L655 | I642-R651 WeakPolarHBondContact O-CG 3.08Å; A643-R651 WeakPolarHBondContact O-CD 3.3Å; A643-R651 VanDerWaalsContact O-CG 3.28Å; A643-R651 WeakPolarHBondContact O-CG 3.38Å; A643-R651 PolarHBondContact O-NE 2.87Å; D646-R651 HydrophobicContact CB-CG 4.19Å; D646-R651 WeakPolarHBondContact O-CD 3.35Å; D646-R651 WeakPolarHBondContact O-CG 3.46Å; E647-R651 WeakPolarHBondContact O-CG 3.48Å; E647-R651 PolarHBondContact O-N 3.45Å; V648-R651 PolarHBondContact O-N 3.17Å; R651-A654 PolarHBondContact O-N 3.2Å; R651-L655 VanDerWaalsContact O-CB 3.24Å; R651-L655 WeakPolarHBondContact O-CB 3.36Å; R651-L655 PolarHBondContact O-N 3.16Å |
| 652 | I | 96.6 | Very high | 95.8 | Very high | 16 Ų | 16 | 41.5 Ų | 41.5 | 8% | 0.082 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.2 | -45.7 | 175.3 | -70.4 | 161.9 | 0 | 0 | 0 | 110.9 | V648 K649 I650 A654 L655 R656 D723 L724 E727 | V648-I652 HydrophobicContact CG1-CD1 4Å; V648-I652 WeakPolarHBondContact O-CD1 3.47Å; V648-I652 VanDerWaalsContact O-CG1 3.3Å; V648-I652 WeakPolarHBondContact O-CG1 3.4Å; V648-I652 PolarHBondContact O-N 3.35Å; K649-I652 PolarHBondContact O-N 3.42Å; I650-I652 VanDerWaalsContact C-N 3.29Å; I650-I652 PolarHBondContact O-N 3.47Å; I652-A654 PolarHBondContact O-N 3.23Å; I652-L655 PolarHBondContact O-N 2.98Å; I652-R656 WeakPolarHBondContact O-CG 3.47Å; I652-R656 PolarHBondContact O-N 3.36Å; I652-D723 HydrophobicContact CD1-CB 3.64Å; I652-L724 HydrophobicContact CG1-CD1 4.2Å; I652-E727 HydrophobicContact CG2-CG 3.82Å |
| 653 | S | 97.6 | Very high | 95.7 | Very high | 16 Ų | 16 | 42.9 Ų | 42.9 | 11% | 0.112 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.9 | -43 | 176.7 | -64.2 | 0 | 0 | 0 | 0 | 112.2 | N615 K649 I650 R656 A657 | N615-S653 WeakPolarHBondContact OD1-CB 3.48Å; N615-S653 PolarHBondContact OD1-OG 3.28Å; K649-S653 PolarHBondContact O-N 3.03Å; K649-S653 PolarHBondContact O-OG 2.75Å; I650-S653 WeakPolarHBondContact O-CB 3.4Å; I650-S653 PolarHBondContact O-N 3.12Å; I650-S653 VanDerWaalsContact O-N 3.16Å; S653-R656 PolarHBondContact O-N 3.27Å; S653-A657 PolarHBondContact O-N 3.13Å; S653-A657 VanDerWaalsContact O-N 3.09Å |
| 654 | A | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.7 | -43.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | V618 I642 A643 I650 R651 I652 R656 A657 I658 | V618-A654 HydrophobicContact CG1-CB 3.92Å; I642-A654 HydrophobicContact CB-CB 4.1Å; I642-A654 HydrophobicContact CG2-CB 3.78Å; A643-A654 HydrophobicContact CB-CB 3.98Å; I650-A654 PolarHBondContact O-N 2.99Å; R651-A654 PolarHBondContact O-N 3.2Å; I652-A654 PolarHBondContact O-N 3.23Å; A654-R656 PolarHBondContact O-N 3.47Å; A654-A657 WeakPolarHBondContact O-CB 3.32Å; A654-A657 PolarHBondContact O-N 2.7Å; A654-I658 WeakPolarHBondContact O-CD1 3.45Å; A654-I658 VanDerWaalsContact O-CG1 3.27Å; A654-I658 WeakPolarHBondContact O-CG1 3.45Å; A654-I658 PolarHBondContact O-N 3.42Å |
| 655 | L | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.1 | -45.2 | 176.2 | 175.1 | 63.3 | 0 | 0 | 0 | 111.6 | R651 I652 A657 I658 I659 L713 F716 L724 E727 T728 | R651-L655 VanDerWaalsContact O-CB 3.24Å; R651-L655 WeakPolarHBondContact O-CB 3.36Å; R651-L655 PolarHBondContact O-N 3.16Å; I652-L655 PolarHBondContact O-N 2.98Å; L655-A657 VanDerWaalsContact C-N 3.35Å; L655-A657 PolarHBondContact O-N 3.48Å; L655-I658 PolarHBondContact O-N 2.87Å; L655-I659 HydrophobicContact CD1-CD1 3.83Å; L655-I659 HydrophobicContact CD1-CG1 4.19Å; L655-I659 HydrophobicContact CD2-CD1 4.46Å; L655-I659 HydrophobicContact CG-CD1 3.74Å; L655-I659 WeakPolarHBondContact O-CD1 3.41Å; L655-I659 VanDerWaalsContact O-CG1 3.31Å; L655-I659 WeakPolarHBondContact O-CG1 3.46Å; L655-I659 PolarHBondContact O-N 3.15Å; L655-L713 HydrophobicContact CD1-CD2 3.51Å; L655-F716 HydrophobicContact CD1-CD2 4.37Å; L655-F716 HydrophobicContact CD2-CD2 4.25Å; L655-L724 HydrophobicContact CD2-CD1 3.82Å; L655-E727 HydrophobicContact CD2-CB 3.94Å; L655-T728 WeakPolarHBondContact CD2-OG1 3.16Å |
| 656 | R | 97.3 | Very high | 95.1 | Very high | 115 Ų | 115 | 37.4 Ų | 37.4 | 43% | 0.434 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -58.2 | -47.2 | 174.6 | -74.3 | 174.7 | 178.1 | 167 | -0.5 | 111.3 | I652 S653 A654 I658 I659 D660 E727 | I652-R656 WeakPolarHBondContact O-CG 3.47Å; I652-R656 PolarHBondContact O-N 3.36Å; S653-R656 PolarHBondContact O-N 3.27Å; A654-R656 PolarHBondContact O-N 3.47Å; R656-I658 VanDerWaalsContact C-N 3.35Å; R656-I658 PolarHBondContact O-N 2.94Å; R656-I659 PolarHBondContact O-N 2.93Å; R656-D660 WeakPolarHBondContact O-CB 3.36Å; R656-D660 VanDerWaalsContact O-CG 3.28Å; R656-D660 PolarHBondContact O-N 3.49Å; R656-E727 WeakPolarHBondContact CG-OE2 3.42Å; R656-E727 IonicContact CZ-OE1 2.89Å; R656-E727 IonicContact CZ-OE2 3.12Å; R656-E727 VanDerWaalsContact NE-CD 3.32Å; R656-E727 IonicContact NE-OE1 3.31Å; R656-E727 PolarHBondContact NE-OE1 2.82Å; R656-E727 IonicContact NE-OE2 2.75Å; R656-E727 PolarHBondContact NE-OE2 3.25Å; R656-E727 IonicContact NH2-OE1 3.26Å; R656-E727 PolarHBondContact NH2-OE1 3.36Å; R656-E727 IonicContact NH2-OE2 3.44Å |
| 657 | A | 96.8 | Very high | 94.6 | Very high | 8 Ų | 8 | 38 Ų | 38 | 7% | 0.066 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.7 | -44.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | L639 S653 A654 L655 D660 L661 | L639-A657 HydrophobicContact CD1-CB 4.25Å; L639-A657 HydrophobicContact CD2-CB 4.24Å; S653-A657 PolarHBondContact O-N 3.13Å; S653-A657 VanDerWaalsContact O-N 3.09Å; A654-A657 WeakPolarHBondContact O-CB 3.32Å; A654-A657 PolarHBondContact O-N 2.7Å; L655-A657 VanDerWaalsContact C-N 3.35Å; L655-A657 PolarHBondContact O-N 3.48Å; A657-D660 PolarHBondContact O-N 2.83Å; A657-L661 WeakPolarHBondContact O-CB 3.39Å; A657-L661 VanDerWaalsContact O-CG 3.23Å; A657-L661 WeakPolarHBondContact O-CG 3.33Å; A657-L661 PolarHBondContact O-N 3.28Å |
| 658 | I | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.5 | -46.8 | 176.9 | -67.2 | 156.8 | 0 | 0 | 0 | 110.8 | M636 L639 L640 A643 A654 L655 R656 D660 L661 L662 | M636-I658 HydrophobicContact SD-CG1 4.25Å; M636-I658 HydrophobicContact SD-CG2 4.3Å; L639-I658 HydrophobicContact CB-CD1 4.24Å; L639-I658 HydrophobicContact CB-CG1 3.88Å; L640-I658 HydrophobicContact CD2-CD1 3.84Å; L640-I658 HydrophobicContact CD2-CG1 4.46Å; L640-I658 HydrophobicContact CD2-CG2 4.47Å; L640-I658 HydrophobicContact CG-CD1 4.33Å; A643-I658 HydrophobicContact CB-CD1 3.8Å; A654-I658 WeakPolarHBondContact O-CD1 3.45Å; A654-I658 VanDerWaalsContact O-CG1 3.27Å; A654-I658 WeakPolarHBondContact O-CG1 3.45Å; A654-I658 PolarHBondContact O-N 3.42Å; L655-I658 PolarHBondContact O-N 2.87Å; R656-I658 VanDerWaalsContact C-N 3.35Å; R656-I658 PolarHBondContact O-N 2.94Å; I658-D660 PolarHBondContact O-N 3.37Å; I658-L661 PolarHBondContact O-N 3.09Å; I658-L662 HydrophobicContact CG2-CD1 3.93Å; I658-L662 HydrophobicContact CG2-CG 4.38Å; I658-L662 VanDerWaalsContact O-CG 3.28Å; I658-L662 WeakPolarHBondContact O-CG 3.32Å; I658-L662 PolarHBondContact O-N 3.27Å |
| 659 | I | 96.3 | Very high | 92.9 | Very high | 7 Ų | 7 | 38 Ų | 38 | 4% | 0.036 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61 | -45.8 | 178.7 | -69 | 158 | 0 | 0 | 0 | 110.4 | L655 R656 L661 L662 L663 | L655-I659 HydrophobicContact CD1-CD1 3.83Å; L655-I659 HydrophobicContact CD1-CG1 4.19Å; L655-I659 HydrophobicContact CD2-CD1 4.46Å; L655-I659 HydrophobicContact CG-CD1 3.74Å; L655-I659 WeakPolarHBondContact O-CD1 3.41Å; L655-I659 VanDerWaalsContact O-CG1 3.31Å; L655-I659 WeakPolarHBondContact O-CG1 3.46Å; L655-I659 PolarHBondContact O-N 3.15Å; R656-I659 PolarHBondContact O-N 2.93Å; I659-L661 VanDerWaalsContact C-N 3.33Å; I659-L661 PolarHBondContact O-N 3.18Å; I659-L662 PolarHBondContact O-N 2.9Å; I659-L663 HydrophobicContact CG2-CD1 3.81Å; I659-L663 HydrophobicContact CG2-CG 4.25Å; I659-L663 WeakPolarHBondContact O-CB 3.29Å; I659-L663 VanDerWaalsContact O-CG 3.3Å; I659-L663 WeakPolarHBondContact O-CG 3.42Å; I659-L663 PolarHBondContact O-N 3.1Å |
| 660 | D | 95.8 | Very high | 91.9 | Very high | 74 Ų | 74 | 31.4 Ų | 31.4 | 40% | 0.396 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -61.8 | -41.5 | 179.2 | -70.3 | -16.1 | 0 | 0 | 0 | 111.5 | L626 R656 A657 I658 L663 L664 | L626-D660 HydrophobicContact CD2-CB 3.94Å; R656-D660 WeakPolarHBondContact O-CB 3.36Å; R656-D660 VanDerWaalsContact O-CG 3.28Å; R656-D660 PolarHBondContact O-N 3.49Å; A657-D660 PolarHBondContact O-N 2.83Å; I658-D660 PolarHBondContact O-N 3.37Å; D660-L663 PolarHBondContact O-N 3.36Å; D660-L664 WeakPolarHBondContact O-CB 3.42Å; D660-L664 PolarHBondContact O-N 2.83Å |
| 661 | L | 94.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.5 | -42.2 | 174 | -71.9 | 175.3 | 0 | 0 | 0 | 112.3 | L626 A632 M636 L639 A657 I658 I659 L664 F665 | L626-L661 HydrophobicContact CD2-CD2 3.92Å; L626-L661 HydrophobicContact CD2-CG 4.43Å; A632-L661 HydrophobicContact CB-CD1 4.45Å; A632-L661 HydrophobicContact CB-CD2 3.69Å; M636-L661 HydrophobicContact CE-CB 3.88Å; M636-L661 HydrophobicContact CE-CD1 3.71Å; M636-L661 HydrophobicContact CE-CG 4.47Å; L639-L661 HydrophobicContact CD1-CD1 3.7Å; A657-L661 WeakPolarHBondContact O-CB 3.39Å; A657-L661 VanDerWaalsContact O-CG 3.23Å; A657-L661 WeakPolarHBondContact O-CG 3.33Å; A657-L661 PolarHBondContact O-N 3.28Å; I658-L661 PolarHBondContact O-N 3.09Å; I659-L661 VanDerWaalsContact C-N 3.33Å; I659-L661 PolarHBondContact O-N 3.18Å; L661-L664 PolarHBondContact O-N 3.17Å; L661-F665 HydrophobicContact CD2-CD2 3.9Å; L661-F665 HydrophobicContact CD2-CE2 3.73Å; L661-F665 WeakPolarHBondContact O-CB 3.48Å; L661-F665 PolarHBondContact O-N 3.35Å |
| 662 | L | 93.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.7 | -34.3 | 177.5 | -68.5 | 174.3 | 0 | 0 | 0 | 112.1 | I658 I659 G666 F667 I709 L735 | I658-L662 HydrophobicContact CG2-CD1 3.93Å; I658-L662 HydrophobicContact CG2-CG 4.38Å; I658-L662 VanDerWaalsContact O-CG 3.28Å; I658-L662 WeakPolarHBondContact O-CG 3.32Å; I658-L662 PolarHBondContact O-N 3.27Å; I659-L662 PolarHBondContact O-N 2.9Å; L662-G666 WeakPolarHBondContact O-CA 3.26Å; L662-G666 PolarHBondContact O-N 3.07Å; L662-F667 HydrophobicContact CD1-CE1 4.3Å; L662-F667 HydrophobicContact CD1-CZ 4Å; L662-F667 HydrophobicContact CD2-CD1 4.1Å; L662-F667 HydrophobicContact CD2-CD2 4.36Å; L662-F667 HydrophobicContact CD2-CE1 4.09Å; L662-F667 HydrophobicContact CD2-CE2 4.31Å; L662-F667 HydrophobicContact CD2-CG 4.24Å; L662-F667 HydrophobicContact CD2-CZ 4.19Å; L662-I709 HydrophobicContact CD1-CG2 4.33Å; L662-L735 HydrophobicContact CB-CD1 4.42Å; L662-L735 HydrophobicContact CB-CD2 3.63Å; L662-L735 HydrophobicContact CD1-CD1 4.19Å |
| 663 | L | 94.1 | Very high | 85.8 | Confident | 40 Ų | 40 | 44.9 Ų | 44.9 | 21% | 0.209 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.5 | -43.8 | 174 | -73.8 | 169 | 0 | 0 | 0 | 111.2 | I659 D660 K734 L735 T738 R740 | I659-L663 HydrophobicContact CG2-CD1 3.81Å; I659-L663 HydrophobicContact CG2-CG 4.25Å; I659-L663 WeakPolarHBondContact O-CB 3.29Å; I659-L663 VanDerWaalsContact O-CG 3.3Å; I659-L663 WeakPolarHBondContact O-CG 3.42Å; I659-L663 PolarHBondContact O-N 3.1Å; D660-L663 PolarHBondContact O-N 3.36Å; L663-K734 HydrophobicContact CD1-CB 4.27Å; L663-K734 HydrophobicContact CD1-CD 4.39Å; L663-K734 HydrophobicContact CD2-CB 4.04Å; L663-L735 HydrophobicContact CD2-CD2 3.78Å; L663-L735 HydrophobicContact CD2-CG 4.26Å; L663-L735 HydrophobicContact CG-CD2 3.89Å; L663-T738 HydrophobicContact CD2-CG2 4.21Å; L663-T738 WeakPolarHBondContact CD2-OG1 3.28Å; L663-R740 PolarHBondContact O-NE 3.41Å; L663-R740 PolarHBondContact O-NH2 3.26Å |
| 664 | L | 92.3 | Very high | 82.9 | Confident | 70 Ų | 70 | 48.3 Ų | 48.3 | 37% | 0.366 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -76.2 | -53.5 | -177.2 | -174.1 | 60.2 | 0 | 0 | 0 | 112.7 | L626 D660 L661 R740 | L626-L664 HydrophobicContact CB-CD2 4.3Å; L626-L664 HydrophobicContact CD2-CD2 3.99Å; L626-L664 WeakPolarHBondContact O-CD2 3.3Å; D660-L664 WeakPolarHBondContact O-CB 3.42Å; D660-L664 PolarHBondContact O-N 2.83Å; L661-L664 PolarHBondContact O-N 3.17Å; L664-R740 PolarHBondContact O-NH2 2.97Å |
| 665 | F | 90.4 | Very high | 79.9 | Confident | 40 Ų | 40 | 53.9 Ų | 53.9 | 18% | 0.175 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -102.4 | -14 | -171.3 | -57.3 | -57 | 0 | 0 | 0 | 114.6 | K629 A632 L661 L669 | K629-F665 HydrophobicContact CB-CD1 4.22Å; K629-F665 HydrophobicContact CB-CE1 4.02Å; K629-F665 HydrophobicContact CB-CZ 4.35Å; K629-F665 HydrophobicContact CD-CD1 4.44Å; K629-F665 HydrophobicContact CG-CD1 4.23Å; K629-F665 HydrophobicContact CG-CG 4.45Å; A632-F665 HydrophobicContact CB-CD2 4.12Å; A632-F665 HydrophobicContact CB-CE2 3.92Å; L661-F665 HydrophobicContact CD2-CD2 3.9Å; L661-F665 HydrophobicContact CD2-CE2 3.73Å; L661-F665 WeakPolarHBondContact O-CB 3.48Å; L661-F665 PolarHBondContact O-N 3.35Å; F665-L669 HydrophobicContact CB-CD1 4.3Å; F665-L669 HydrophobicContact CD2-CD1 4.29Å; F665-L669 HydrophobicContact CG-CD1 4.48Å |
| 666 | G | 88.9 | Confident | 76.8 | Confident | 6 Ų | 6 | 59.5 Ų | 59.5 | 6% | 0.062 | 33% | 0.332 | C | S | . | . | trans | 69 | -179.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L662 Q668 L669 | L662-G666 WeakPolarHBondContact O-CA 3.26Å; L662-G666 PolarHBondContact O-N 3.07Å; G666-Q668 PolarHBondContact O-N 2.89Å; G666-Q668 VanDerWaalsContact O-N 3.13Å; G666-L669 PolarHBondContact O-N 3.2Å | ||
| 667 | F | 85.4 | Confident | 74 | Confident | 43 Ų | 43 | 63 Ų | 63 | 19% | 0.189 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -67.3 | -9.7 | 177.3 | -72 | -95 | 0 | 0 | 0 | 113.6 | L662 L669 L670 A706 I709 L710 I741 | L662-F667 HydrophobicContact CD1-CE1 4.3Å; L662-F667 HydrophobicContact CD1-CZ 4Å; L662-F667 HydrophobicContact CD2-CD1 4.1Å; L662-F667 HydrophobicContact CD2-CD2 4.36Å; L662-F667 HydrophobicContact CD2-CE1 4.09Å; L662-F667 HydrophobicContact CD2-CE2 4.31Å; L662-F667 HydrophobicContact CD2-CG 4.24Å; L662-F667 HydrophobicContact CD2-CZ 4.19Å; F667-L669 PolarHBondContact O-N 3.35Å; F667-L669 VanDerWaalsContact O-N 3.12Å; F667-L670 HydrophobicContact CD1-CD1 3.81Å; F667-L670 WeakPolarHBondContact O-CB 3.29Å; F667-L670 PolarHBondContact O-N 3.31Å; F667-A706 HydrophobicContact CD1-CB 3.89Å; F667-I709 HydrophobicContact CE1-CG2 4.46Å; F667-L710 HydrophobicContact CZ-CD2 4.31Å; F667-I741 HydrophobicContact CE2-CD1 3.92Å; F667-I741 HydrophobicContact CE2-CG1 3.47Å; F667-I741 VanDerWaalsContact CE2-CG1 3.47Å; F667-I741 HydrophobicContact CZ-CD1 3.81Å; F667-I741 HydrophobicContact CZ-CG1 3.85Å |
| 668 | Q | 76.8 | Confident | 70.8 | Confident | 136 Ų | 136 | 68.7 Ų | 68.7 | 64% | 0.636 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -60 | -19.1 | 172 | -63.5 | 178.3 | 5.8 | 0 | 0 | 113.1 | G666 L670 S671 | G666-Q668 PolarHBondContact O-N 2.89Å; G666-Q668 VanDerWaalsContact O-N 3.13Å; Q668-L670 PolarHBondContact O-N 2.99Å; Q668-S671 PolarHBondContact O-N 3.03Å |
| 669 | L | 75.8 | Confident | 67.9 | Low | 8 Ų | 8 | 75 Ų | 75 | 4% | 0.042 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -56.1 | -30.7 | 171.8 | -164.4 | 78.3 | 0 | 0 | 0 | 111.7 | K629 A632 K633 M636 F665 G666 F667 | K629-L669 HydrophobicContact CG-CD1 3.97Å; A632-L669 HydrophobicContact CB-CD1 3.66Å; A632-L669 HydrophobicContact CB-CD2 4.1Å; K633-L669 HydrophobicContact CB-CD1 4.47Å; K633-L669 WeakPolarHBondContact CE-O 3.25Å; K633-L669 HydrophobicContact CG-CD1 3.55Å; K633-L669 HydrophobicContact CG-CG 3.86Å; K633-L669 WeakPolarHBondContact CG-O 3.47Å; M636-L669 HydrophobicContact CB-CD2 4.05Å; M636-L669 HydrophobicContact CE-CD2 3.23Å; M636-L669 HydrophobicContact CG-CD2 4.16Å; F665-L669 HydrophobicContact CB-CD1 4.3Å; F665-L669 HydrophobicContact CD2-CD1 4.29Å; F665-L669 HydrophobicContact CG-CD1 4.48Å; G666-L669 PolarHBondContact O-N 3.2Å; F667-L669 PolarHBondContact O-N 3.35Å; F667-L669 VanDerWaalsContact O-N 3.12Å |
| 670 | L | 73.5 | Confident | 64.8 | Low | 29 Ų | 29 | 83.3 Ų | 83.3 | 15% | 0.152 | 46% | 0.464 | C | S | . | . | G | 310 helix | trans | -89.1 | -3.6 | -175 | -48.7 | 169.8 | 0 | 0 | 0 | 112.9 | M636 F667 Q668 T705 A706 I709 | M636-L670 HydrophobicContact CG-CD2 3.94Å; F667-L670 HydrophobicContact CD1-CD1 3.81Å; F667-L670 WeakPolarHBondContact O-CB 3.29Å; F667-L670 PolarHBondContact O-N 3.31Å; Q668-L670 PolarHBondContact O-N 2.99Å; L670-T705 HydrophobicContact CB-CG2 4.41Å; L670-T705 HydrophobicContact CD1-CG2 4.38Å; L670-T705 HydrophobicContact CD2-CG2 4Å; L670-T705 HydrophobicContact CG-CG2 4.48Å; L670-A706 HydrophobicContact CD1-CB 4.06Å; L670-I709 HydrophobicContact CD1-CD1 3.55Å; L670-I709 HydrophobicContact CD2-CD1 3.92Å; L670-I709 HydrophobicContact CG-CD1 4.37Å |
| 671 | S | 67.1 | Low | 61.6 | Low | 55 Ų | 55 | 85.2 Ų | 85.2 | 39% | 0.385 | 48% | 0.481 | S | S | . | . | trans | -85.3 | 121.8 | 178 | -169.7 | 0 | 0 | 0 | 0 | 110.4 | K633 Q668 T673 | K633-S671 PolarHBondContact NZ-O 3.27Å; Q668-S671 PolarHBondContact O-N 3.03Å; S671-T673 PolarHBondContact O-N 3.08Å | ||
| 672 | E | 54.5 | Low | 59 | Low | 175 Ų | 175 | 90.8 Ų | 90.8 | 82% | 0.818 | 52% | 0.517 | S | S | * | . | trans | -76.1 | 112.9 | 169.8 | -71.9 | -175.4 | 168.4 | 0 | 0 | 109.8 | ||||
| 673 | T | 40.3 | Very low | 56.3 | Low | 121 Ų | 121 | 98.8 Ų | 98.8 | 74% | 0.742 | 56% | 0.559 | S | S | * | * | trans | -114.5 | 89.2 | 151.3 | 39.6 | 0 | 0 | 0 | 0 | 107.2 | S671 S675 | S671-T673 PolarHBondContact O-N 3.08Å; T673-S675 PolarHBondContact O-N 2.89Å; T673-S675 VanDerWaalsContact O-N 3.15Å | ||
| 674 | A | 36.9 | Very low | 53.3 | Low | 87 Ų | 87 | 102.4 Ų | 102.4 | 72% | 0.719 | 59% | 0.587 | S | S | * | * | trans | -64.5 | 110.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108 | T676 | A674-T676 VanDerWaalsContact C-N 3.29Å; A674-T676 PolarHBondContact O-N 2.75Å | ||
| 675 | S | 34.8 | Very low | 51 | Low | 117 Ų | 117 | 104.5 Ų | 104.5 | 82% | 0.818 | 61% | 0.605 | S | S | * | * | trans | -74.2 | 81.6 | 170.2 | 55.3 | 0 | 0 | 0 | 0 | 109.7 | T673 | T673-S675 PolarHBondContact O-N 2.89Å; T673-S675 VanDerWaalsContact O-N 3.15Å | ||
| 676 | T | 32.1 | Very low | 48.1 | Very low | 118 Ų | 118 | 109.5 Ų | 109.5 | 72% | 0.724 | 63% | 0.634 | S | S | * | * | trans | -86.1 | 106.6 | 160.2 | 25.9 | 0 | 0 | 0 | 0 | 109 | A674 T678 | A674-T676 VanDerWaalsContact C-N 3.29Å; A674-T676 PolarHBondContact O-N 2.75Å; T676-T678 PolarHBondContact O-N 2.76Å; T676-T678 VanDerWaalsContact O-N 3.09Å | ||
| 677 | Q | 37.7 | Very low | 45.5 | Very low | 189 Ų | 189 | 119.4 Ų | 119.4 | 88% | 0.883 | 67% | 0.669 | S | S | * | * | trans | -58.7 | 104.8 | 163.8 | -67.1 | 175.6 | -7.1 | 0 | 0 | 108.9 | ||||
| 678 | T | 31.4 | Very low | 43 | Very low | 127 Ų | 127 | 126 Ų | 126 | 78% | 0.779 | 70% | 0.7 | S | S | * | * | trans | -96.3 | 106.6 | 162.6 | 44.4 | 0 | 0 | 0 | 0 | 109.1 | T676 Q680 | T676-T678 PolarHBondContact O-N 2.76Å; T676-T678 VanDerWaalsContact O-N 3.09Å; T678-Q680 PolarHBondContact O-N 2.79Å | ||
| 679 | V | 33.4 | Very low | 41 | Very low | 133 Ų | 133 | 129 Ų | 129 | 81% | 0.806 | 72% | 0.715 | S | S | * | * | trans | -49.9 | 121.9 | 162.2 | 173.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 680 | Q | 30.9 | Very low | 38.8 | Very low | 181 Ų | 181 | 132 Ų | 132 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | trans | -71.1 | 141.6 | 167.2 | -70.7 | -175.8 | -16.7 | 0 | 0 | 110.6 | T678 | T678-Q680 PolarHBondContact O-N 2.79Š| ||
| 681 | P | 30.4 | Very low | 36.6 | Very low | 115 Ų | 115 | 139.8 Ų | 139.8 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | trans | -110.7 | 161.4 | 146 | 12 | 8.5 | 0 | 0 | 0 | 111.6 | ||||
| 682 | P | 38.6 | Very low | 34.8 | Very low | 117 Ų | 117 | 142.3 Ų | 142.3 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | trans | -96.4 | 145.3 | -154.1 | 30.8 | -21.5 | 0 | 0 | 0 | 115.1 | ||||
| 683 | L | 36.5 | Very low | 33.6 | Very low | 168 Ų | 168 | 139.8 Ų | 139.8 | 88% | 0.88 | 80% | 0.804 | S | S | * | * | trans | 19.2 | 127 | 147.7 | -73.1 | 144.3 | 0 | 0 | 0 | 120.5 | ||||
| 684 | S | 31.7 | Very low | 33.2 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -134.1 | 142.7 | 140.6 | -5.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 685 | P | 43.8 | Very low | 32.9 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 75% | 0.747 | 81% | 0.811 | S | S | * | * | trans | -100.6 | 129.9 | -176.5 | 35.4 | -26.1 | 0 | 0 | 0 | 111.7 | ||||
| 686 | D | 30.6 | Very low | 33.1 | Very low | 145 Ų | 145 | 143.2 Ų | 143.2 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | trans | -167.4 | 118.9 | 143.9 | -106.2 | -28.3 | 0 | 0 | 0 | 112.1 | ||||
| 687 | R | 33 | Very low | 33 | Very low | 214 Ų | 214 | 145.2 Ų | 145.2 | 81% | 0.808 | 82% | 0.818 | S | S | * | * | trans | 30.8 | 131.8 | 138.5 | -62.1 | 174.3 | 175.5 | -165.9 | -1.2 | 117.7 | ||||
| 688 | Q | 32.3 | Very low | 33 | Very low | 180 Ų | 180 | 144.4 Ų | 144.4 | 84% | 0.841 | 81% | 0.811 | S | S | * | * | cis | -172.9 | 159.8 | 47.1 | -127.4 | 160.2 | 9.4 | 0 | 0 | 110.4 | ||||
| 689 | E | 35.8 | Very low | 33 | Very low | 199 Ų | 199 | 141.7 Ų | 141.7 | 93% | 0.93 | 81% | 0.808 | S | S | * | * | trans | -58.4 | 147.2 | -177 | -62.2 | 164.3 | 148.3 | 0 | 0 | 115.7 | ||||
| 690 | G | 28.7 | Very low | 33.5 | Very low | 73 Ų | 73 | 140.2 Ų | 140.2 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | 172.1 | 104.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 691 | E | 28.7 | Very low | 34.1 | Very low | 192 Ų | 192 | 138.3 Ų | 138.3 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | trans | 40.7 | 110.7 | 154.5 | -69.1 | 178.5 | 158.8 | 0 | 0 | 120.9 | T693 | E691-T693 PolarHBondContact O-N 3.39Š| ||
| 692 | A | 29.5 | Very low | 35 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 88% | 0.884 | 79% | 0.787 | S | S | * | * | trans | -70.2 | 112.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 693 | T | 27.7 | Very low | 35.8 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | -110.7 | 128 | 154.5 | 41.9 | 0 | 0 | 0 | 0 | 107.6 | E691 A695 | E691-T693 PolarHBondContact O-N 3.39Å; T693-A695 PolarHBondContact O-N 3Å; T693-A695 VanDerWaalsContact O-N 3.11Å | ||
| 694 | P | 32.4 | Very low | 37.2 | Very low | 131 Ų | 131 | 137.3 Ų | 137.3 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | trans | -79.4 | 96.1 | 171.8 | 29.6 | -26.4 | 0 | 0 | 0 | 107.8 | ||||
| 695 | A | 30.2 | Very low | 39.2 | Very low | 91 Ų | 91 | 135 Ų | 135 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | trans | -74.1 | 126.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109 | T693 D697 | T693-A695 PolarHBondContact O-N 3Å; T693-A695 VanDerWaalsContact O-N 3.11Å; A695-D697 PolarHBondContact O-N 3.3Å | ||
| 696 | E | 39.6 | Very low | 40.9 | Very low | 176 Ų | 176 | 130.6 Ų | 130.6 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | trans | -52 | 116.4 | 169 | -60.5 | 178 | 151.8 | 0 | 0 | 110.4 | ||||
| 697 | D | 29.7 | Very low | 43.3 | Very low | 160 Ų | 160 | 128.6 Ų | 128.6 | 86% | 0.856 | 72% | 0.72 | S | S | * | * | trans | -110.8 | 93.2 | 163 | -155.7 | 6.3 | 0 | 0 | 0 | 108.3 | A695 G699 | A695-D697 PolarHBondContact O-N 3.3Å; D697-G699 VanDerWaalsContact C-N 3.32Å; D697-G699 PolarHBondContact O-N 3.09Å | ||
| 698 | K | 38.8 | Very low | 45.8 | Very low | 172 Ų | 172 | 121.5 Ų | 121.5 | 75% | 0.748 | 70% | 0.703 | S | S | * | * | trans | -72.7 | 85.7 | 171.5 | -81.2 | 179.5 | 174.9 | 171.5 | 0 | 108.9 | S700 | K698-S700 PolarHBondContact O-N 3.12Å; K698-S700 VanDerWaalsContact O-N 3.13Å | ||
| 699 | G | 30.6 | Very low | 48.5 | Very low | 69 Ų | 69 | 113 Ų | 113 | 71% | 0.711 | 66% | 0.664 | S | S | * | * | trans | -74.8 | 85 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | D697 I701 | D697-G699 VanDerWaalsContact C-N 3.32Å; D697-G699 PolarHBondContact O-N 3.09Å; G699-I701 PolarHBondContact O-N 3.22Å | ||
| 700 | S | 43.9 | Very low | 51 | Low | 102 Ų | 102 | 105.3 Ų | 105.3 | 71% | 0.713 | 63% | 0.629 | S | S | * | * | trans | -90.8 | 87.5 | -175.1 | 56.5 | 0 | 0 | 0 | 0 | 113.1 | K698 | K698-S700 PolarHBondContact O-N 3.12Å; K698-S700 VanDerWaalsContact O-N 3.13Å | ||
| 701 | I | 43.6 | Very low | 53.9 | Low | 141 Ų | 141 | 104.8 Ų | 104.8 | 72% | 0.723 | 61% | 0.611 | S | S | * | * | trans | -144.1 | -22.5 | 164.9 | -54 | -177.1 | 0 | 0 | 0 | 115 | G699 | G699-I701 PolarHBondContact O-N 3.22Š| ||
| 702 | P | 49.3 | Very low | 57 | Low | 80 Ų | 80 | 95.8 Ų | 95.8 | 52% | 0.519 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.2 | -14.6 | -175.5 | -17.5 | 31.8 | 0 | 0 | 0 | 118.4 | ||
| 703 | E | 54.7 | Low | 60.1 | Low | 172 Ų | 172 | 90.9 Ų | 90.9 | 80% | 0.804 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -77.4 | -21.8 | -175.8 | -71.9 | -176.9 | 159.3 | 0 | 0 | 113.4 | Q707 | E703-Q707 VanDerWaalsContact O-CB 3.24Å; E703-Q707 WeakPolarHBondContact O-CB 3.32Å; E703-Q707 PolarHBondContact O-N 2.76Å; E703-Q707 VanDerWaalsContact O-N 3.09Å |
| 704 | D | 66.6 | Low | 63.2 | Low | 127 Ų | 127 | 86 Ų | 86 | 68% | 0.679 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -72.4 | -40.7 | -166.3 | -152.5 | 7.5 | 0 | 0 | 0 | 113 | Q707 S708 | D704-Q707 PolarHBondContact O-N 3.44Å; D704-S708 VanDerWaalsContact O-CB 3.32Å; D704-S708 WeakPolarHBondContact O-CB 3.19Å; D704-S708 PolarHBondContact O-N 2.84Å |
| 705 | T | 73.1 | Confident | 66.1 | Low | 67 Ų | 67 | 85.3 Ų | 85.3 | 41% | 0.411 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -72.1 | -41 | -179.3 | -49.4 | 0 | 0 | 0 | 0 | 112.5 | L670 Q707 S708 I709 | L670-T705 HydrophobicContact CB-CG2 4.41Å; L670-T705 HydrophobicContact CD1-CG2 4.38Å; L670-T705 HydrophobicContact CD2-CG2 4Å; L670-T705 HydrophobicContact CG-CG2 4.48Å; T705-Q707 VanDerWaalsContact C-N 3.32Å; T705-S708 PolarHBondContact O-N 3.35Å; T705-I709 WeakPolarHBondContact O-CG1 3.46Å; T705-I709 PolarHBondContact O-N 2.85Å |
| 706 | A | 79.3 | Confident | 69.3 | Low | 23 Ų | 23 | 81.4 Ų | 81.4 | 19% | 0.19 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | F667 L670 I709 L710 | F667-A706 HydrophobicContact CD1-CB 3.89Å; L670-A706 HydrophobicContact CD1-CB 4.06Å; A706-I709 PolarHBondContact O-N 3.48Å; A706-L710 WeakPolarHBondContact O-CG 3.17Å; A706-L710 PolarHBondContact O-N 3.41Å |
| 707 | Q | 82.8 | Confident | 71.9 | Confident | 102 Ų | 102 | 73.1 Ų | 73.1 | 48% | 0.477 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 174.8 | -173.7 | 57 | 34.3 | 0 | 0 | 111.8 | E703 D704 T705 I709 L710 V711 | E703-Q707 VanDerWaalsContact O-CB 3.24Å; E703-Q707 WeakPolarHBondContact O-CB 3.32Å; E703-Q707 PolarHBondContact O-N 2.76Å; E703-Q707 VanDerWaalsContact O-N 3.09Å; D704-Q707 PolarHBondContact O-N 3.44Å; T705-Q707 VanDerWaalsContact C-N 3.32Å; Q707-I709 PolarHBondContact O-N 3.42Å; Q707-L710 PolarHBondContact O-N 2.89Å; Q707-V711 VanDerWaalsContact O-CG2 3.29Å; Q707-V711 WeakPolarHBondContact O-CG2 3.37Å; Q707-V711 PolarHBondContact O-N 2.92Å |
| 708 | S | 85.3 | Confident | 74.9 | Confident | 66 Ų | 66 | 70.2 Ų | 70.2 | 46% | 0.462 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 175.4 | -178.7 | 0 | 0 | 0 | 0 | 112.6 | D704 T705 V711 M712 | D704-S708 VanDerWaalsContact O-CB 3.32Å; D704-S708 WeakPolarHBondContact O-CB 3.19Å; D704-S708 PolarHBondContact O-N 2.84Å; T705-S708 PolarHBondContact O-N 3.35Å; S708-V711 PolarHBondContact O-N 3.37Å; S708-M712 WeakPolarHBondContact O-CB 3.29Å; S708-M712 PolarHBondContact O-N 3.35Å |
| 709 | I | 87.8 | Confident | 77.5 | Confident | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 174.5 | -65 | 177.3 | 0 | 0 | 0 | 111 | L640 L662 F667 L670 T705 A706 Q707 V711 M712 L713 | L640-I709 HydrophobicContact CD1-CD1 4.02Å; L640-I709 HydrophobicContact CD1-CG1 4.04Å; L640-I709 HydrophobicContact CD2-CD1 4.15Å; L640-I709 HydrophobicContact CD2-CG1 3.83Å; L662-I709 HydrophobicContact CD1-CG2 4.33Å; F667-I709 HydrophobicContact CE1-CG2 4.46Å; L670-I709 HydrophobicContact CD1-CD1 3.55Å; L670-I709 HydrophobicContact CD2-CD1 3.92Å; L670-I709 HydrophobicContact CG-CD1 4.37Å; T705-I709 WeakPolarHBondContact O-CG1 3.46Å; T705-I709 PolarHBondContact O-N 2.85Å; A706-I709 PolarHBondContact O-N 3.48Å; Q707-I709 PolarHBondContact O-N 3.42Å; I709-V711 VanDerWaalsContact C-N 3.29Å; I709-V711 PolarHBondContact O-N 3.29Å; I709-M712 HydrophobicContact CG2-CE 4.22Å; I709-M712 PolarHBondContact O-N 3.36Å; I709-L713 HydrophobicContact CG2-CD1 4.01Å; I709-L713 HydrophobicContact CG2-CG 4.29Å; I709-L713 VanDerWaalsContact O-CG 3.31Å; I709-L713 WeakPolarHBondContact O-CG 3.45Å; I709-L713 PolarHBondContact O-N 3.05Å |
| 710 | L | 88.6 | Confident | 80.4 | Confident | 36 Ų | 36 | 67.8 Ų | 67.8 | 19% | 0.188 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.1 | -35.1 | 177.3 | -69.4 | 176.3 | 0 | 0 | 0 | 112.3 | F667 A706 Q707 S714 I741 | F667-L710 HydrophobicContact CZ-CD2 4.31Å; A706-L710 WeakPolarHBondContact O-CG 3.17Å; A706-L710 PolarHBondContact O-N 3.41Å; Q707-L710 PolarHBondContact O-N 2.89Å; L710-S714 VanDerWaalsContact O-CB 3.25Å; L710-S714 WeakPolarHBondContact O-CB 3.44Å; L710-S714 PolarHBondContact O-N 3.38Å; L710-I741 HydrophobicContact CD2-CD1 3.84Å |
| 711 | V | 91 | Very high | 82.7 | Confident | 63 Ų | 63 | 67.1 Ų | 67.1 | 38% | 0.382 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.6 | -48.1 | 173 | 170.7 | 0 | 0 | 0 | 0 | 110.3 | Q707 S708 I709 L713 S714 E715 | Q707-V711 VanDerWaalsContact O-CG2 3.29Å; Q707-V711 WeakPolarHBondContact O-CG2 3.37Å; Q707-V711 PolarHBondContact O-N 2.92Å; S708-V711 PolarHBondContact O-N 3.37Å; I709-V711 VanDerWaalsContact C-N 3.29Å; I709-V711 PolarHBondContact O-N 3.29Å; V711-L713 PolarHBondContact O-N 3.32Å; V711-S714 CarbonylContact O-C 3.57Å; V711-S714 WeakPolarHBondContact O-CA 3.1Å; V711-S714 VanDerWaalsContact O-CB 3.27Å; V711-S714 WeakPolarHBondContact O-CB 3.17Å; V711-S714 PolarHBondContact O-N 3.05Å; V711-S714 VanDerWaalsContact O-N 3.07Å; V711-E715 WeakPolarHBondContact O-CG 3.43Å; V711-E715 PolarHBondContact O-N 3.23Å |
| 712 | M | 92.9 | Very high | 85.2 | Confident | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.015 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.3 | -46.6 | 176.3 | 173.7 | -84.9 | -71.8 | 0 | 0 | 112.3 | L640 Q644 S708 I709 S714 E715 F716 | L640-M712 HydrophobicContact CD2-CE 3.59Å; Q644-M712 HydrophobicContact CG-CG 4.12Å; S708-M712 WeakPolarHBondContact O-CB 3.29Å; S708-M712 PolarHBondContact O-N 3.35Å; I709-M712 HydrophobicContact CG2-CE 4.22Å; I709-M712 PolarHBondContact O-N 3.36Å; M712-S714 VanDerWaalsContact C-N 3.28Å; M712-S714 PolarHBondContact O-N 3.07Å; M712-E715 WeakPolarHBondContact O-CB 3.44Å; M712-E715 PolarHBondContact O-N 2.85Å; M712-F716 HydrophobicContact CG-CE1 4.11Å; M712-F716 HydrophobicContact CG-CE2 4.18Å; M712-F716 HydrophobicContact CG-CZ 3.84Å; M712-F716 PolarHBondContact O-N 2.9Å; M712-F716 HydrophobicContact SD-CD2 3.66Å; M712-F716 HydrophobicContact SD-CE1 4.23Å; M712-F716 HydrophobicContact SD-CE2 3.29Å; M712-F716 WeakPolarHBondContact SD-CE2 3.24Å; M712-F716 HydrophobicContact SD-CG 4.28Å; M712-F716 HydrophobicContact SD-CZ 3.59Å; M712-F716 VanDerWaalsContact SD-CZ 3.59Å |
| 713 | L | 93.7 | Very high | 87.3 | Confident | 3 Ų | 3 | 63.1 Ų | 63.1 | 2% | 0.016 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.4 | -37.4 | 175.7 | -66.6 | 174.3 | 0 | 0 | 0 | 111 | L655 I709 V711 F716 L717 T728 L732 | L655-L713 HydrophobicContact CD1-CD2 3.51Å; I709-L713 HydrophobicContact CG2-CD1 4.01Å; I709-L713 HydrophobicContact CG2-CG 4.29Å; I709-L713 VanDerWaalsContact O-CG 3.31Å; I709-L713 WeakPolarHBondContact O-CG 3.45Å; I709-L713 PolarHBondContact O-N 3.05Å; V711-L713 PolarHBondContact O-N 3.32Å; L713-F716 PolarHBondContact O-N 3.2Å; L713-L717 PolarHBondContact O-N 3.16Å; L713-T728 HydrophobicContact CB-CG2 4.21Å; L713-T728 HydrophobicContact CD2-CG2 4.13Å; L713-T728 WeakPolarHBondContact O-CG2 3.4Å; L713-L732 HydrophobicContact CB-CD1 4.4Å; L713-L732 HydrophobicContact CB-CD2 4.28Å; L713-L732 HydrophobicContact CD1-CD2 3.82Å |
| 714 | S | 93.4 | Very high | 89.2 | Confident | 21 Ų | 21 | 54.9 Ų | 54.9 | 15% | 0.147 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 174.5 | -170 | 0 | 0 | 0 | 0 | 111.9 | L710 V711 M712 F716 L717 R749 | L710-S714 VanDerWaalsContact O-CB 3.25Å; L710-S714 WeakPolarHBondContact O-CB 3.44Å; L710-S714 PolarHBondContact O-N 3.38Å; V711-S714 CarbonylContact O-C 3.57Å; V711-S714 WeakPolarHBondContact O-CA 3.1Å; V711-S714 VanDerWaalsContact O-CB 3.27Å; V711-S714 WeakPolarHBondContact O-CB 3.17Å; V711-S714 PolarHBondContact O-N 3.05Å; V711-S714 VanDerWaalsContact O-N 3.07Å; M712-S714 VanDerWaalsContact C-N 3.28Å; M712-S714 PolarHBondContact O-N 3.07Å; S714-F716 VanDerWaalsContact C-N 3.35Å; S714-L717 PolarHBondContact O-N 3.13Å; S714-R749 PolarHBondContact O-NH1 3.48Å; S714-R749 WeakPolarHBondContact OG-CD 3.5Å; S714-R749 PolarHBondContact OG-NE 3.43Å; S714-R749 PolarHBondContact OG-NH1 3.42Å |
| 715 | E | 94.3 | Very high | 90.6 | Very high | 115 Ų | 115 | 49.7 Ų | 49.7 | 54% | 0.537 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.6 | -36.8 | 176.3 | -70.7 | 171.7 | 180 | 0 | 0 | 111.8 | V711 M712 L717 D718 S719 | V711-E715 WeakPolarHBondContact O-CG 3.43Å; V711-E715 PolarHBondContact O-N 3.23Å; M712-E715 WeakPolarHBondContact O-CB 3.44Å; M712-E715 PolarHBondContact O-N 2.85Å; E715-L717 VanDerWaalsContact C-N 3.31Å; E715-L717 PolarHBondContact O-N 3.28Å; E715-D718 CarbonylContact O-C 3.54Å; E715-D718 PolarHBondContact O-N 3.11Å; E715-D718 VanDerWaalsContact O-N 3.08Å; E715-S719 PolarHBondContact O-N 2.75Å |
| 716 | F | 95.7 | Very high | 91.7 | Very high | 9 Ų | 9 | 46.8 Ų | 46.8 | 4% | 0.039 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.6 | -26.3 | 178.3 | -71.4 | 2.5 | 0 | 0 | 0 | 113.4 | A643 Q644 L655 M712 L713 S714 D718 S719 L724 T728 | A643-F716 HydrophobicContact CB-CE2 4.38Å; A643-F716 WeakPolarHBondContact O-CZ 3.41Å; Q644-F716 HydrophobicContact CG-CZ 4.46Å; L655-F716 HydrophobicContact CD1-CD2 4.37Å; L655-F716 HydrophobicContact CD2-CD2 4.25Å; M712-F716 HydrophobicContact CG-CE1 4.11Å; M712-F716 HydrophobicContact CG-CE2 4.18Å; M712-F716 HydrophobicContact CG-CZ 3.84Å; M712-F716 PolarHBondContact O-N 2.9Å; M712-F716 HydrophobicContact SD-CD2 3.66Å; M712-F716 HydrophobicContact SD-CE1 4.23Å; M712-F716 HydrophobicContact SD-CE2 3.29Å; M712-F716 WeakPolarHBondContact SD-CE2 3.24Å; M712-F716 HydrophobicContact SD-CG 4.28Å; M712-F716 HydrophobicContact SD-CZ 3.59Å; M712-F716 VanDerWaalsContact SD-CZ 3.59Å; L713-F716 PolarHBondContact O-N 3.2Å; S714-F716 VanDerWaalsContact C-N 3.35Å; F716-D718 PolarHBondContact O-N 2.73Å; F716-S719 WeakPolarHBondContact O-CB 3.36Å; F716-S719 PolarHBondContact O-N 3.18Å; F716-L724 HydrophobicContact CB-CG 4.35Å; F716-L724 HydrophobicContact CD1-CD2 4.2Å; F716-L724 HydrophobicContact CD2-CD1 3.96Å; F716-L724 HydrophobicContact CD2-CD2 4.33Å; F716-L724 HydrophobicContact CD2-CG 4.25Å; F716-L724 HydrophobicContact CE2-CD1 4.28Å; F716-L724 HydrophobicContact CG-CD1 4.45Å; F716-L724 HydrophobicContact CG-CD2 4.1Å; F716-L724 HydrophobicContact CG-CG 4.25Å; F716-T728 HydrophobicContact CB-CG2 3.88Å; F716-T728 VanDerWaalsContact CB-OG1 3.23Å; F716-T728 WeakPolarHBondContact CB-OG1 3.49Å |
| 717 | L | 95.6 | Very high | 92.5 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.6 | -27.9 | 170 | -67.4 | 179.5 | 0 | 0 | 0 | 112.6 | L713 S714 E715 R725 T728 A729 L732 M746 R749 L750 L753 | L713-L717 PolarHBondContact O-N 3.16Å; S714-L717 PolarHBondContact O-N 3.13Å; E715-L717 VanDerWaalsContact C-N 3.31Å; E715-L717 PolarHBondContact O-N 3.28Å; L717-R725 WeakPolarHBondContact O-CD 3.32Å; L717-T728 HydrophobicContact CD2-CG2 3.72Å; L717-T728 HydrophobicContact CG-CG2 3.94Å; L717-A729 HydrophobicContact CD2-CB 3.87Å; L717-L732 HydrophobicContact CD1-CD1 3.69Å; L717-L732 HydrophobicContact CD2-CD1 4.06Å; L717-L732 HydrophobicContact CG-CD1 4.02Å; L717-M746 HydrophobicContact CD1-SD 3.93Å; L717-R749 HydrophobicContact CD1-CB 4.37Å; L717-L750 HydrophobicContact CD1-CD2 4Å; L717-L750 HydrophobicContact CD2-CD2 4.01Å; L717-L753 HydrophobicContact CB-CD2 4.31Å; L717-L753 HydrophobicContact CD2-CD2 3.78Å |
| 718 | D | 93.1 | Very high | 93.2 | Very high | 99 Ų | 99 | 41.5 Ų | 41.5 | 53% | 0.529 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 6.9 | 179 | -59.5 | -34.5 | 0 | 0 | 0 | 112 | E715 F716 R749 | E715-D718 CarbonylContact O-C 3.54Å; E715-D718 PolarHBondContact O-N 3.11Å; E715-D718 VanDerWaalsContact O-N 3.08Å; F716-D718 PolarHBondContact O-N 2.73Å; D718-R749 IonicContact OD1-NH1 2.7Å; D718-R749 PolarHBondContact OD1-NH1 2.8Å; D718-R749 IonicContact OD2-CZ 3.74Å; D718-R749 VanDerWaalsContact OD2-CZ 3.31Å; D718-R749 IonicContact OD2-NH1 3.96Å; D718-R749 PolarHBondContact OD2-NH1 2.8Å; D718-R749 IonicContact OD2-NH2 2.61Å; D718-R749 PolarHBondContact OD2-NH2 3.33Å |
| 719 | S | 93.7 | Very high | 93.8 | Very high | 24 Ų | 24 | 38.4 Ų | 38.4 | 17% | 0.168 | 20% | 0.202 | C | C | . | . | trans | -64 | 146.5 | 179.8 | -175.3 | 0 | 0 | 0 | 0 | 111.8 | E715 F716 M721 R725 | E715-S719 PolarHBondContact O-N 2.75Å; F716-S719 WeakPolarHBondContact O-CB 3.36Å; F716-S719 PolarHBondContact O-N 3.18Å; S719-M721 PolarHBondContact O-N 2.87Å; S719-M721 PolarHBondContact OG-N 2.94Å; S719-R725 WeakPolarHBondContact O-CD 3.33Å; S719-R725 WeakPolarHBondContact O-CG 3.43Å; S719-R725 PolarHBondContact O-NH1 3.15Å | ||
| 720 | E | 91.1 | Very high | 94.3 | Very high | 165 Ų | 165 | 40.5 Ų | 40.5 | 77% | 0.771 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -70.6 | -18.8 | 170.4 | -63.6 | -62.2 | 160.5 | 0 | 0 | 112.8 | S722 R725 | E720-S722 PolarHBondContact O-N 3.29Å; E720-R725 PolarHBondContact O-NH1 3.21Å |
| 721 | M | 92.6 | Very high | 94.7 | Very high | 88 Ų | 88 | 38.9 Ų | 38.9 | 43% | 0.433 | 20% | 0.203 | S | C | . | . | trans | -84.2 | 112.3 | -178 | -57.6 | -53 | -60.2 | 0 | 0 | 111.4 | V648 S719 D723 L724 R725 | V648-M721 HydrophobicContact CG1-CB 4.49Å; V648-M721 HydrophobicContact CG1-CE 4.34Å; V648-M721 HydrophobicContact CG1-CG 4.46Å; V648-M721 HydrophobicContact CG2-CE 4.33Å; V648-M721 HydrophobicContact CG2-CG 4.22Å; S719-M721 PolarHBondContact O-N 2.87Å; S719-M721 PolarHBondContact OG-N 2.94Å; M721-D723 PolarHBondContact O-N 2.97Å; M721-L724 HydrophobicContact CB-CB 4.11Å; M721-L724 PolarHBondContact O-N 3.15Å; M721-R725 PolarHBondContact O-N 2.89Å | ||
| 722 | S | 94.1 | Very high | 95 | Very high | 43 Ų | 43 | 35.9 Ų | 35.9 | 30% | 0.301 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -53.2 | -46.5 | -179.6 | 178.4 | 0 | 0 | 0 | 0 | 113.6 | E720 L724 R725 T726 D762 | E720-S722 PolarHBondContact O-N 3.29Å; S722-L724 PolarHBondContact O-N 3.44Å; S722-R725 PolarHBondContact O-N 3.27Å; S722-T726 WeakPolarHBondContact O-CB 3.43Å; S722-T726 PolarHBondContact O-N 2.94Å; S722-T726 PolarHBondContact O-OG1 3.38Å; S722-D762 VanDerWaalsContact CB-OD1 3.26Å; S722-D762 WeakPolarHBondContact CB-OD1 3.34Å; S722-D762 VanDerWaalsContact OG-CG 3.29Å; S722-D762 PolarHBondContact OG-OD1 3.24Å |
| 723 | D | 94 | Very high | 95.2 | Very high | 94 Ų | 94 | 36 Ų | 36 | 50% | 0.503 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.8 | -43.7 | -179 | -69 | -30.8 | 0 | 0 | 0 | 111.9 | I652 M721 T726 E727 | I652-D723 HydrophobicContact CD1-CB 3.64Å; M721-D723 PolarHBondContact O-N 2.97Å; D723-T726 PolarHBondContact O-N 3.46Å; D723-E727 WeakPolarHBondContact O-CG 3.43Å; D723-E727 PolarHBondContact O-N 3.19Å |
| 724 | L | 94.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.2 | -47.2 | 179.4 | -174 | 63.6 | 0 | 0 | 0 | 110.9 | I652 L655 F716 M721 S722 T726 E727 T728 | I652-L724 HydrophobicContact CG1-CD1 4.2Å; L655-L724 HydrophobicContact CD2-CD1 3.82Å; F716-L724 HydrophobicContact CB-CG 4.35Å; F716-L724 HydrophobicContact CD1-CD2 4.2Å; F716-L724 HydrophobicContact CD2-CD1 3.96Å; F716-L724 HydrophobicContact CD2-CD2 4.33Å; F716-L724 HydrophobicContact CD2-CG 4.25Å; F716-L724 HydrophobicContact CE2-CD1 4.28Å; F716-L724 HydrophobicContact CG-CD1 4.45Å; F716-L724 HydrophobicContact CG-CD2 4.1Å; F716-L724 HydrophobicContact CG-CG 4.25Å; M721-L724 HydrophobicContact CB-CB 4.11Å; M721-L724 PolarHBondContact O-N 3.15Å; S722-L724 PolarHBondContact O-N 3.44Å; L724-T726 VanDerWaalsContact C-N 3.26Å; L724-T726 PolarHBondContact O-N 2.87Å; L724-E727 PolarHBondContact O-N 2.85Å; L724-T728 WeakPolarHBondContact O-CB 3.32Å; L724-T728 PolarHBondContact O-N 3.09Å; L724-T728 PolarHBondContact O-OG1 3.47Å |
| 725 | R | 95.5 | Very high | 95.5 | Very high | 18 Ų | 18 | 39.2 Ų | 39.2 | 7% | 0.068 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -53.6 | -46 | 173.9 | -74 | -163 | -60.8 | -89.8 | 1.5 | 111.6 | L717 S719 E720 M721 S722 T728 A729 D762 L765 | L717-R725 WeakPolarHBondContact O-CD 3.32Å; S719-R725 WeakPolarHBondContact O-CD 3.33Å; S719-R725 WeakPolarHBondContact O-CG 3.43Å; S719-R725 PolarHBondContact O-NH1 3.15Å; E720-R725 PolarHBondContact O-NH1 3.21Å; M721-R725 PolarHBondContact O-N 2.89Å; S722-R725 PolarHBondContact O-N 3.27Å; R725-T728 PolarHBondContact O-N 2.94Å; R725-A729 VanDerWaalsContact O-CB 3.31Å; R725-A729 WeakPolarHBondContact O-CB 3.46Å; R725-A729 PolarHBondContact O-N 2.95Å; R725-D762 IonicContact CZ-OD2 2.64Å; R725-D762 IonicContact NE-OD2 3.53Å; R725-D762 PolarHBondContact NE-OD2 3.32Å; R725-D762 VanDerWaalsContact NE-OD2 3.15Å; R725-D762 IonicContact NH2-OD1 3.61Å; R725-D762 PolarHBondContact NH2-OD1 3.39Å; R725-D762 IonicContact NH2-OD2 2.9Å; R725-D762 PolarHBondContact NH2-OD2 3.37Å; R725-L765 HydrophobicContact CB-CD1 4.15Å |
| 726 | T | 96.8 | Very high | 95.5 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.2 | -46.7 | -176.1 | -57.8 | 0 | 0 | 0 | 0 | 111.6 | S722 D723 L724 T728 A729 E730 R764 L765 | S722-T726 WeakPolarHBondContact O-CB 3.43Å; S722-T726 PolarHBondContact O-N 2.94Å; S722-T726 PolarHBondContact O-OG1 3.38Å; D723-T726 PolarHBondContact O-N 3.46Å; L724-T726 VanDerWaalsContact C-N 3.26Å; L724-T726 PolarHBondContact O-N 2.87Å; T726-T728 VanDerWaalsContact C-N 3.32Å; T726-T728 PolarHBondContact O-N 2.88Å; T726-A729 PolarHBondContact O-N 3.43Å; T726-E730 VanDerWaalsContact O-CB 3.26Å; T726-E730 WeakPolarHBondContact O-CB 3.46Å; T726-E730 PolarHBondContact O-N 3.1Å; T726-R764 HydrophobicContact CG2-CB 4.04Å; T726-R764 HydrophobicContact CG2-CG 4.12Å; T726-R764 VanDerWaalsContact CG2-CZ 3.45Å; T726-R764 VanDerWaalsContact CG2-NE 3.27Å; T726-L765 HydrophobicContact CG2-CB 3.97Å |
| 727 | E | 96.9 | Very high | 95.5 | Very high | 15 Ų | 15 | 37.5 Ų | 37.5 | 7% | 0.07 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.8 | -39.8 | 177.4 | -66.8 | -73.1 | 153.5 | 0 | 0 | 111.6 | I652 L655 R656 D723 L724 G731 R764 | I652-E727 HydrophobicContact CG2-CG 3.82Å; L655-E727 HydrophobicContact CD2-CB 3.94Å; R656-E727 WeakPolarHBondContact CG-OE2 3.42Å; R656-E727 IonicContact CZ-OE1 2.89Å; R656-E727 IonicContact CZ-OE2 3.12Å; R656-E727 VanDerWaalsContact NE-CD 3.32Å; R656-E727 IonicContact NE-OE1 3.31Å; R656-E727 PolarHBondContact NE-OE1 2.82Å; R656-E727 IonicContact NE-OE2 2.75Å; R656-E727 PolarHBondContact NE-OE2 3.25Å; R656-E727 IonicContact NH2-OE1 3.26Å; R656-E727 PolarHBondContact NH2-OE1 3.36Å; R656-E727 IonicContact NH2-OE2 3.44Å; D723-E727 WeakPolarHBondContact O-CG 3.43Å; D723-E727 PolarHBondContact O-N 3.19Å; L724-E727 PolarHBondContact O-N 2.85Å; E727-G731 PolarHBondContact O-N 3.48Å; E727-R764 IonicContact OE1-CZ 3.82Å; E727-R764 VanDerWaalsContact OE1-CZ 3.3Å; E727-R764 IonicContact OE1-NH1 3.81Å; E727-R764 PolarHBondContact OE1-NH1 3.08Å; E727-R764 VanDerWaalsContact OE1-NH1 3.1Å; E727-R764 IonicContact OE1-NH2 3.27Å; E727-R764 PolarHBondContact OE1-NH2 2.67Å; E727-R764 IonicContact OE2-NH2 3.31Å |
| 728 | T | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.1 | -46.9 | 175.7 | -59.5 | 0 | 0 | 0 | 0 | 112.1 | L655 L713 F716 L717 L724 R725 T726 E730 G731 L732 | L655-T728 WeakPolarHBondContact CD2-OG1 3.16Å; L713-T728 HydrophobicContact CB-CG2 4.21Å; L713-T728 HydrophobicContact CD2-CG2 4.13Å; L713-T728 WeakPolarHBondContact O-CG2 3.4Å; F716-T728 HydrophobicContact CB-CG2 3.88Å; F716-T728 VanDerWaalsContact CB-OG1 3.23Å; F716-T728 WeakPolarHBondContact CB-OG1 3.49Å; L717-T728 HydrophobicContact CD2-CG2 3.72Å; L717-T728 HydrophobicContact CG-CG2 3.94Å; L724-T728 WeakPolarHBondContact O-CB 3.32Å; L724-T728 PolarHBondContact O-N 3.09Å; L724-T728 PolarHBondContact O-OG1 3.47Å; R725-T728 PolarHBondContact O-N 2.94Å; T726-T728 VanDerWaalsContact C-N 3.32Å; T726-T728 PolarHBondContact O-N 2.88Å; T728-E730 VanDerWaalsContact C-N 3.35Å; T728-E730 PolarHBondContact O-N 3.31Å; T728-G731 PolarHBondContact O-N 3.08Å; T728-L732 HydrophobicContact CG2-CD1 4.08Å; T728-L732 WeakPolarHBondContact O-CB 3.03Å; T728-L732 WeakPolarHBondContact O-CG 3.35Å; T728-L732 PolarHBondContact O-N 3.24Å |
| 729 | A | 97.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.4 | -44.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L717 R725 T726 A733 L750 L753 L765 L769 | L717-A729 HydrophobicContact CD2-CB 3.87Å; R725-A729 VanDerWaalsContact O-CB 3.31Å; R725-A729 WeakPolarHBondContact O-CB 3.46Å; R725-A729 PolarHBondContact O-N 2.95Å; T726-A729 PolarHBondContact O-N 3.43Å; A729-A733 VanDerWaalsContact O-CB 3.31Å; A729-A733 WeakPolarHBondContact O-CB 3.41Å; A729-A733 PolarHBondContact O-N 2.76Å; A729-L750 HydrophobicContact CB-CD2 4.2Å; A729-L753 HydrophobicContact CB-CD2 4.29Å; A729-L765 HydrophobicContact CB-CD1 4.27Å; A729-L765 HydrophobicContact CB-CG 4.15Å; A729-L769 HydrophobicContact CB-CD2 4.38Å |
| 730 | E | 97.6 | Very high | 95.1 | Very high | 45 Ų | 45 | 43.1 Ų | 43.1 | 21% | 0.21 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64 | -42.9 | 175.4 | -177.8 | 179.7 | 162.3 | 0 | 0 | 111.8 | T726 T728 A733 K734 R764 | T726-E730 VanDerWaalsContact O-CB 3.26Å; T726-E730 WeakPolarHBondContact O-CB 3.46Å; T726-E730 PolarHBondContact O-N 3.1Å; T728-E730 VanDerWaalsContact C-N 3.35Å; T728-E730 PolarHBondContact O-N 3.31Å; E730-A733 WeakPolarHBondContact O-CB 3.2Å; E730-A733 PolarHBondContact O-N 3.23Å; E730-K734 HydrophobicContact CG-CD 4.43Å; E730-K734 WeakPolarHBondContact O-CG 3.49Å; E730-K734 PolarHBondContact O-N 3.38Å; E730-K734 VanDerWaalsContact OE1-CE 3.25Å; E730-K734 WeakPolarHBondContact OE1-CE 3.39Å; E730-K734 IonicContact OE1-NZ 2.6Å; E730-K734 PolarHBondContact OE1-NZ 2.91Å; E730-R764 IonicContact OE2-CZ 3.97Å; E730-R764 IonicContact OE2-NE 3.41Å; E730-R764 IonicContact OE2-NH2 2.88Å; E730-R764 PolarHBondContact OE2-NH2 3.06Å |
| 731 | G | 96.9 | Very high | 95 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.8 | -47.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E727 T728 K734 L735 | E727-G731 PolarHBondContact O-N 3.48Å; T728-G731 PolarHBondContact O-N 3.08Å; G731-K734 PolarHBondContact O-N 2.87Å; G731-L735 VanDerWaalsContact O-CG 3.32Å; G731-L735 WeakPolarHBondContact O-CG 3.4Å; G731-L735 PolarHBondContact O-N 3Å |
| 732 | L | 96.9 | Very high | 95 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.2 | -43.6 | 175.6 | -75.2 | 170.9 | 0 | 0 | 0 | 111.4 | L713 L717 T728 K734 L735 M736 I741 M746 L750 | L713-L732 HydrophobicContact CB-CD1 4.4Å; L713-L732 HydrophobicContact CB-CD2 4.28Å; L713-L732 HydrophobicContact CD1-CD2 3.82Å; L717-L732 HydrophobicContact CD1-CD1 3.69Å; L717-L732 HydrophobicContact CD2-CD1 4.06Å; L717-L732 HydrophobicContact CG-CD1 4.02Å; T728-L732 HydrophobicContact CG2-CD1 4.08Å; T728-L732 WeakPolarHBondContact O-CB 3.03Å; T728-L732 WeakPolarHBondContact O-CG 3.35Å; T728-L732 PolarHBondContact O-N 3.24Å; L732-K734 VanDerWaalsContact C-N 3.34Å; L732-K734 PolarHBondContact O-N 2.89Å; L732-L735 PolarHBondContact O-N 3.26Å; L732-M736 WeakPolarHBondContact O-CB 3.4Å; L732-M736 VanDerWaalsContact O-CG 3.26Å; L732-M736 WeakPolarHBondContact O-CG 3.16Å; L732-M736 PolarHBondContact O-N 3.14Å; L732-I741 HydrophobicContact CD2-CD1 4.03Å; L732-M746 HydrophobicContact CD1-CE 4.4Å; L732-M746 HydrophobicContact CD1-CG 3.94Å; L732-M746 HydrophobicContact CD1-SD 3.62Å; L732-M746 HydrophobicContact CD2-CE 4.38Å; L732-M746 HydrophobicContact CD2-CG 4.04Å; L732-M746 HydrophobicContact CD2-SD 4.37Å; L732-M746 HydrophobicContact CG-CG 4.48Å; L732-L750 HydrophobicContact CB-CD1 4.3Å; L732-L750 HydrophobicContact CD1-CD2 4.41Å |
| 733 | A | 97.4 | Very high | 94.9 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 3% | 0.033 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.7 | -45.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A729 E730 M736 Y737 L769 F772 | A729-A733 VanDerWaalsContact O-CB 3.31Å; A729-A733 WeakPolarHBondContact O-CB 3.41Å; A729-A733 PolarHBondContact O-N 2.76Å; E730-A733 WeakPolarHBondContact O-CB 3.2Å; E730-A733 PolarHBondContact O-N 3.23Å; A733-M736 PolarHBondContact O-N 3.17Å; A733-Y737 VanDerWaalsContact O-CB 3.26Å; A733-Y737 WeakPolarHBondContact O-CB 3.34Å; A733-Y737 PolarHBondContact O-N 3.06Å; A733-L769 HydrophobicContact CB-CD2 4.45Å; A733-F772 HydrophobicContact CB-CB 4.04Å; A733-F772 HydrophobicContact CB-CD1 3.88Å; A733-F772 HydrophobicContact CB-CD2 3.58Å; A733-F772 HydrophobicContact CB-CE1 4.22Å; A733-F772 HydrophobicContact CB-CE2 3.96Å; A733-F772 HydrophobicContact CB-CG 3.53Å; A733-F772 HydrophobicContact CB-CZ 4.26Å; A733-F772 WeakPolarHBondContact O-CE2 3.45Å |
| 734 | K | 97.1 | Very high | 94.9 | Very high | 92 Ų | 92 | 31.9 Ų | 31.9 | 40% | 0.4 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -63.1 | -44.9 | 176.2 | -71.2 | 172.2 | -175.4 | 168.3 | 0 | 112.4 | L663 E730 G731 L732 M736 Y737 T738 | L663-K734 HydrophobicContact CD1-CB 4.27Å; L663-K734 HydrophobicContact CD1-CD 4.39Å; L663-K734 HydrophobicContact CD2-CB 4.04Å; E730-K734 HydrophobicContact CG-CD 4.43Å; E730-K734 WeakPolarHBondContact O-CG 3.49Å; E730-K734 PolarHBondContact O-N 3.38Å; E730-K734 VanDerWaalsContact OE1-CE 3.25Å; E730-K734 WeakPolarHBondContact OE1-CE 3.39Å; E730-K734 IonicContact OE1-NZ 2.6Å; E730-K734 PolarHBondContact OE1-NZ 2.91Å; G731-K734 PolarHBondContact O-N 2.87Å; L732-K734 VanDerWaalsContact C-N 3.34Å; L732-K734 PolarHBondContact O-N 2.89Å; K734-M736 VanDerWaalsContact C-N 3.34Å; K734-M736 PolarHBondContact O-N 2.92Å; K734-Y737 PolarHBondContact O-N 3.1Å; K734-T738 WeakPolarHBondContact O-CB 3.33Å; K734-T738 WeakPolarHBondContact O-CG2 3.32Å; K734-T738 PolarHBondContact O-N 3.16Å; K734-T738 PolarHBondContact O-OG1 3.26Å |
| 735 | L | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.1 | -38.2 | 179.4 | -71.1 | 167.7 | 0 | 0 | 0 | 112 | L662 L663 G731 L732 T738 G739 R740 I741 | L662-L735 HydrophobicContact CB-CD1 4.42Å; L662-L735 HydrophobicContact CB-CD2 3.63Å; L662-L735 HydrophobicContact CD1-CD1 4.19Å; L663-L735 HydrophobicContact CD2-CD2 3.78Å; L663-L735 HydrophobicContact CD2-CG 4.26Å; L663-L735 HydrophobicContact CG-CD2 3.89Å; G731-L735 VanDerWaalsContact O-CG 3.32Å; G731-L735 WeakPolarHBondContact O-CG 3.4Å; G731-L735 PolarHBondContact O-N 3Å; L732-L735 PolarHBondContact O-N 3.26Å; L735-T738 PolarHBondContact O-OG1 2.71Å; L735-G739 PolarHBondContact O-N 3.35Å; L735-R740 HydrophobicContact CB-CB 4.4Å; L735-R740 HydrophobicContact CD2-CB 3.95Å; L735-R740 HydrophobicContact CD2-CG 4.27Å; L735-R740 WeakPolarHBondContact O-CA 3.47Å; L735-R740 WeakPolarHBondContact O-CB 3.46Å; L735-R740 PolarHBondContact O-N 3.45Å; L735-I741 HydrophobicContact CB-CD1 3.67Å; L735-I741 HydrophobicContact CB-CG1 3.99Å; L735-I741 HydrophobicContact CD1-CD1 3.77Å; L735-I741 HydrophobicContact CG-CD1 4.3Å; L735-I741 PolarHBondContact O-N 3.28Å |
| 736 | M | 95.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.7 | -47.6 | 174.7 | -67.4 | -170.5 | 74 | 0 | 0 | 111.3 | L732 A733 K734 T738 G739 I741 L747 L750 F772 Y776 V786 | L732-M736 WeakPolarHBondContact O-CB 3.4Å; L732-M736 VanDerWaalsContact O-CG 3.26Å; L732-M736 WeakPolarHBondContact O-CG 3.16Å; L732-M736 PolarHBondContact O-N 3.14Å; A733-M736 PolarHBondContact O-N 3.17Å; K734-M736 VanDerWaalsContact C-N 3.34Å; K734-M736 PolarHBondContact O-N 2.92Å; M736-T738 VanDerWaalsContact C-N 3.27Å; M736-T738 PolarHBondContact O-N 3.39Å; M736-G739 PolarHBondContact O-N 3.44Å; M736-I741 WeakPolarHBondContact CA-O 3.48Å; M736-I741 HydrophobicContact CG-CB 4.12Å; M736-I741 HydrophobicContact CG-CG2 4.21Å; M736-L747 HydrophobicContact CE-CB 3.68Å; M736-L747 HydrophobicContact CE-CD1 4.29Å; M736-L747 HydrophobicContact CE-CG 4.4Å; M736-L747 HydrophobicContact SD-CB 4.32Å; M736-L750 HydrophobicContact SD-CD1 4.25Å; M736-F772 HydrophobicContact CB-CE2 4.2Å; M736-F772 HydrophobicContact CB-CZ 3.96Å; M736-F772 HydrophobicContact SD-CZ 4.49Å; M736-Y776 HydrophobicContact CB-CE2 4.08Å; M736-Y776 WeakPolarHBondContact O-CE2 3.11Å; M736-V786 HydrophobicContact CE-CG1 4.36Å |
| 737 | Y | 95.3 | Very high | 94.8 | Very high | 88 Ų | 88 | 39 Ų | 39 | 35% | 0.345 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59 | -36.8 | -180 | -175.4 | -105.2 | 0 | 0 | 0 | 113.4 | A733 K734 G739 L775 Y776 E779 | A733-Y737 VanDerWaalsContact O-CB 3.26Å; A733-Y737 WeakPolarHBondContact O-CB 3.34Å; A733-Y737 PolarHBondContact O-N 3.06Å; K734-Y737 PolarHBondContact O-N 3.1Å; Y737-G739 VanDerWaalsContact C-N 3.26Å; Y737-G739 PolarHBondContact O-N 2.95Å; Y737-L775 HydrophobicContact CD2-CB 4.49Å; Y737-L775 HydrophobicContact CE2-CB 3.99Å; Y737-Y776 HydrophobicContact CD2-CD2 4.44Å; Y737-E779 HydrophobicContact CE2-CB 4.26Å; Y737-E779 HydrophobicContact CE2-CG 4.38Å; Y737-E779 PolarHBondContact OH-OE2 3.36Å; Y737-E779 VanDerWaalsContact OH-OE2 3.1Å |
| 738 | T | 93.4 | Very high | 94.8 | Very high | 74 Ų | 74 | 38.7 Ų | 38.7 | 45% | 0.454 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 3.7 | 177.4 | 54.1 | 0 | 0 | 0 | 0 | 113.9 | L663 K734 L735 M736 R740 | L663-T738 HydrophobicContact CD2-CG2 4.21Å; L663-T738 WeakPolarHBondContact CD2-OG1 3.28Å; K734-T738 WeakPolarHBondContact O-CB 3.33Å; K734-T738 WeakPolarHBondContact O-CG2 3.32Å; K734-T738 PolarHBondContact O-N 3.16Å; K734-T738 PolarHBondContact O-OG1 3.26Å; L735-T738 PolarHBondContact O-OG1 2.71Å; M736-T738 VanDerWaalsContact C-N 3.27Å; M736-T738 PolarHBondContact O-N 3.39Å; T738-R740 VanDerWaalsContact C-N 3.27Å; T738-R740 PolarHBondContact O-N 3.4Å; T738-R740 WeakPolarHBondContact OG1-CG 3.38Å |
| 739 | G | 90.4 | Very high | 94.7 | Very high | 54 Ų | 54 | 42.3 Ų | 42.3 | 56% | 0.557 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 17.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L735 M736 Y737 | L735-G739 PolarHBondContact O-N 3.35Å; M736-G739 PolarHBondContact O-N 3.44Å; Y737-G739 VanDerWaalsContact C-N 3.26Å; Y737-G739 PolarHBondContact O-N 2.95Å |
| 740 | R | 90.4 | Very high | 94.7 | Very high | 116 Ų | 116 | 42.3 Ų | 42.3 | 44% | 0.438 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -77.8 | -27.5 | 175.5 | -59.1 | -57.9 | -165.4 | -171.9 | 4.9 | 112.4 | L663 L664 L735 T738 | L663-R740 PolarHBondContact O-NE 3.41Å; L663-R740 PolarHBondContact O-NH2 3.26Å; L664-R740 PolarHBondContact O-NH2 2.97Å; L735-R740 HydrophobicContact CB-CB 4.4Å; L735-R740 HydrophobicContact CD2-CB 3.95Å; L735-R740 HydrophobicContact CD2-CG 4.27Å; L735-R740 WeakPolarHBondContact O-CA 3.47Å; L735-R740 WeakPolarHBondContact O-CB 3.46Å; L735-R740 PolarHBondContact O-N 3.45Å; T738-R740 VanDerWaalsContact C-N 3.27Å; T738-R740 PolarHBondContact O-N 3.4Å; T738-R740 WeakPolarHBondContact OG1-CG 3.38Å |
| 741 | I | 89.9 | Confident | 94.7 | Very high | 11 Ų | 11 | 40.2 Ų | 40.2 | 6% | 0.056 | 21% | 0.212 | C | C | . | . | trans | -128.1 | 131.4 | 173.5 | -61.6 | 173.9 | 0 | 0 | 0 | 108.2 | F667 L710 L732 L735 M736 | F667-I741 HydrophobicContact CE2-CD1 3.92Å; F667-I741 HydrophobicContact CE2-CG1 3.47Å; F667-I741 VanDerWaalsContact CE2-CG1 3.47Å; F667-I741 HydrophobicContact CZ-CD1 3.81Å; F667-I741 HydrophobicContact CZ-CG1 3.85Å; L710-I741 HydrophobicContact CD2-CD1 3.84Å; L732-I741 HydrophobicContact CD2-CD1 4.03Å; L735-I741 HydrophobicContact CB-CD1 3.67Å; L735-I741 HydrophobicContact CB-CG1 3.99Å; L735-I741 HydrophobicContact CD1-CD1 3.77Å; L735-I741 HydrophobicContact CG-CD1 4.3Å; L735-I741 PolarHBondContact O-N 3.28Å; M736-I741 WeakPolarHBondContact CA-O 3.48Å; M736-I741 HydrophobicContact CG-CB 4.12Å; M736-I741 HydrophobicContact CG-CG2 4.21Å | ||
| 742 | S | 91.1 | Very high | 94.7 | Very high | 93 Ų | 93 | 41.1 Ų | 41.1 | 65% | 0.65 | 22% | 0.216 | S | C | * | . | trans | -122.7 | 107.2 | 164.7 | -171.9 | 0 | 0 | 0 | 0 | 108.1 | V786 | S742-V786 VanDerWaalsContact OG-CG2 3.24Å; S742-V786 WeakPolarHBondContact OG-CG2 3.43Å | ||
| 743 | S | 92.2 | Very high | 94.7 | Very high | 33 Ų | 33 | 41.8 Ų | 41.8 | 23% | 0.231 | 22% | 0.219 | C | C | . | . | trans | -151.2 | 108.3 | -177.4 | -177 | 0 | 0 | 0 | 0 | 111.4 | K745 M746 L747 | S743-K745 PolarHBondContact O-N 2.95Å; S743-M746 PolarHBondContact O-N 3.45Å; S743-M746 PolarHBondContact OG-N 3.2Å; S743-L747 PolarHBondContact O-N 2.97Å | ||
| 744 | A | 94.3 | Very high | 94.7 | Very high | 17 Ų | 17 | 44.5 Ų | 44.5 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.2 | -34.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L747 S748 V786 E789 T790 | A744-L747 PolarHBondContact O-N 3.14Å; A744-S748 VanDerWaalsContact O-CB 3.28Å; A744-S748 WeakPolarHBondContact O-CB 3.14Å; A744-S748 PolarHBondContact O-N 3.32Å; A744-V786 HydrophobicContact CB-CG1 4.46Å; A744-E789 HydrophobicContact CB-CB 3.6Å; A744-T790 HydrophobicContact CB-CG2 3.93Å; A744-T790 WeakPolarHBondContact O-CG2 3.09Å |
| 745 | K | 93.4 | Very high | 94.7 | Very high | 158 Ų | 158 | 42.5 Ų | 42.5 | 69% | 0.687 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -63.2 | -44.8 | 176.5 | -174.9 | -178.9 | 179.1 | -176.3 | 0 | 111.9 | S743 R749 | S743-K745 PolarHBondContact O-N 2.95Å; K745-R749 PolarHBondContact O-N 3.25Å; K745-R749 VanDerWaalsContact O-N 3.12Å |
| 746 | M | 94.3 | Very high | 94.7 | Very high | 14 Ų | 14 | 44 Ų | 44 | 7% | 0.069 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.7 | -40.9 | 179.8 | -164.7 | 60.4 | 75.1 | 0 | 0 | 111.3 | L717 L732 S743 S748 R749 L750 | L717-M746 HydrophobicContact CD1-SD 3.93Å; L732-M746 HydrophobicContact CD1-CE 4.4Å; L732-M746 HydrophobicContact CD1-CG 3.94Å; L732-M746 HydrophobicContact CD1-SD 3.62Å; L732-M746 HydrophobicContact CD2-CE 4.38Å; L732-M746 HydrophobicContact CD2-CG 4.04Å; L732-M746 HydrophobicContact CD2-SD 4.37Å; L732-M746 HydrophobicContact CG-CG 4.48Å; S743-M746 PolarHBondContact O-N 3.45Å; S743-M746 PolarHBondContact OG-N 3.2Å; M746-S748 VanDerWaalsContact C-N 3.33Å; M746-S748 PolarHBondContact O-N 3.27Å; M746-R749 WeakPolarHBondContact O-CB 3.45Å; M746-R749 PolarHBondContact O-N 3.43Å; M746-R749 VanDerWaalsContact O-N 3.15Å; M746-L750 WeakPolarHBondContact O-CG 3.38Å; M746-L750 PolarHBondContact O-N 3.44Å |
| 747 | L | 96.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.8 | -40.5 | 175.9 | -175.7 | 64.3 | 0 | 0 | 0 | 111.8 | M736 S743 A744 R749 L750 V751 F772 F773 Y776 V786 V787 T790 | M736-L747 HydrophobicContact CE-CB 3.68Å; M736-L747 HydrophobicContact CE-CD1 4.29Å; M736-L747 HydrophobicContact CE-CG 4.4Å; M736-L747 HydrophobicContact SD-CB 4.32Å; S743-L747 PolarHBondContact O-N 2.97Å; A744-L747 PolarHBondContact O-N 3.14Å; L747-R749 VanDerWaalsContact C-N 3.34Å; L747-R749 PolarHBondContact O-N 3.07Å; L747-L750 PolarHBondContact O-N 2.83Å; L747-V751 WeakPolarHBondContact O-CG2 3.49Å; L747-V751 PolarHBondContact O-N 2.82Å; L747-F772 HydrophobicContact CD1-CE1 3.82Å; L747-F772 HydrophobicContact CD1-CZ 4.21Å; L747-F773 HydrophobicContact CD1-CD1 3.98Å; L747-F773 HydrophobicContact CD1-CE1 3.69Å; L747-Y776 HydrophobicContact CD2-CD1 4.37Å; L747-Y776 HydrophobicContact CD2-CE1 3.91Å; L747-V786 HydrophobicContact CD2-CG1 3.86Å; L747-V787 HydrophobicContact CD2-CB 4.38Å; L747-V787 HydrophobicContact CD2-CG2 3.78Å; L747-T790 HydrophobicContact CB-CG2 3.69Å; L747-T790 HydrophobicContact CD2-CG2 3.74Å; L747-T790 HydrophobicContact CG-CG2 3.81Å |
| 748 | S | 96.9 | Very high | 94.5 | Very high | 7 Ų | 7 | 45.3 Ų | 45.3 | 5% | 0.049 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.6 | -45 | 172.2 | -178.2 | 0 | 0 | 0 | 0 | 111.7 | A744 M746 L750 V751 L752 T794 | A744-S748 VanDerWaalsContact O-CB 3.28Å; A744-S748 WeakPolarHBondContact O-CB 3.14Å; A744-S748 PolarHBondContact O-N 3.32Å; M746-S748 VanDerWaalsContact C-N 3.33Å; M746-S748 PolarHBondContact O-N 3.27Å; S748-L750 PolarHBondContact O-N 3.32Å; S748-V751 PolarHBondContact O-N 3.29Å; S748-L752 VanDerWaalsContact O-CG 3.29Å; S748-L752 WeakPolarHBondContact O-CG 3.21Å; S748-L752 PolarHBondContact O-N 3.42Å; S748-T794 WeakPolarHBondContact CB-OG1 3.47Å; S748-T794 PolarHBondContact OG-OG1 3.3Å |
| 749 | R | 96 | Very high | 94.6 | Very high | 77 Ų | 77 | 41.8 Ų | 41.8 | 29% | 0.291 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.1 | -42.9 | 174.4 | -82.5 | -172.1 | 147.7 | -119.8 | -3.4 | 112.7 | S714 L717 D718 K745 M746 L747 L752 L753 | S714-R749 PolarHBondContact O-NH1 3.48Å; S714-R749 WeakPolarHBondContact OG-CD 3.5Å; S714-R749 PolarHBondContact OG-NE 3.43Å; S714-R749 PolarHBondContact OG-NH1 3.42Å; L717-R749 HydrophobicContact CD1-CB 4.37Å; D718-R749 IonicContact OD1-NH1 2.7Å; D718-R749 PolarHBondContact OD1-NH1 2.8Å; D718-R749 IonicContact OD2-CZ 3.74Å; D718-R749 VanDerWaalsContact OD2-CZ 3.31Å; D718-R749 IonicContact OD2-NH1 3.96Å; D718-R749 PolarHBondContact OD2-NH1 2.8Å; D718-R749 IonicContact OD2-NH2 2.61Å; D718-R749 PolarHBondContact OD2-NH2 3.33Å; K745-R749 PolarHBondContact O-N 3.25Å; K745-R749 VanDerWaalsContact O-N 3.12Å; M746-R749 WeakPolarHBondContact O-CB 3.45Å; M746-R749 PolarHBondContact O-N 3.43Å; M746-R749 VanDerWaalsContact O-N 3.15Å; L747-R749 VanDerWaalsContact C-N 3.34Å; L747-R749 PolarHBondContact O-N 3.07Å; R749-L752 PolarHBondContact O-N 2.79Å; R749-L753 VanDerWaalsContact O-CB 3.28Å; R749-L753 WeakPolarHBondContact O-CB 3.29Å; R749-L753 PolarHBondContact O-N 3.33Å |
| 750 | L | 97.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.1 | -40.7 | 176.6 | -65.3 | 179.6 | 0 | 0 | 0 | 111.9 | L717 A729 L732 M736 M746 L747 S748 L753 W754 L769 F772 F773 | L717-L750 HydrophobicContact CD1-CD2 4Å; L717-L750 HydrophobicContact CD2-CD2 4.01Å; A729-L750 HydrophobicContact CB-CD2 4.2Å; L732-L750 HydrophobicContact CB-CD1 4.3Å; L732-L750 HydrophobicContact CD1-CD2 4.41Å; M736-L750 HydrophobicContact SD-CD1 4.25Å; M746-L750 WeakPolarHBondContact O-CG 3.38Å; M746-L750 PolarHBondContact O-N 3.44Å; L747-L750 PolarHBondContact O-N 2.83Å; S748-L750 PolarHBondContact O-N 3.32Å; L750-L753 PolarHBondContact O-N 3.48Å; L750-W754 WeakPolarHBondContact O-CB 3.33Å; L750-W754 PolarHBondContact O-N 3.1Å; L750-L769 HydrophobicContact CB-CD1 4.49Å; L750-L769 HydrophobicContact CB-CD2 4.34Å; L750-L769 HydrophobicContact CD1-CD2 4.33Å; L750-L769 HydrophobicContact CD2-CD2 4.21Å; L750-F772 HydrophobicContact CD1-CE1 4.09Å; L750-F773 HydrophobicContact CB-CE1 4.15Å; L750-F773 HydrophobicContact CB-CZ 4.01Å |
| 751 | V | 97.7 | Very high | 94.7 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.012 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63 | -46.3 | 176.1 | 172.9 | 0 | 0 | 0 | 0 | 110.4 | L747 S748 L753 W754 Y755 F773 T794 V815 L819 | L747-V751 WeakPolarHBondContact O-CG2 3.49Å; L747-V751 PolarHBondContact O-N 2.82Å; S748-V751 PolarHBondContact O-N 3.29Å; V751-L753 VanDerWaalsContact C-N 3.35Å; V751-L753 PolarHBondContact O-N 3.15Å; V751-W754 PolarHBondContact O-N 3.47Å; V751-Y755 HydrophobicContact CG1-CD2 4.26Å; V751-Y755 HydrophobicContact CG1-CE2 4.48Å; V751-Y755 WeakPolarHBondContact O-CD2 3.23Å; V751-Y755 PolarHBondContact O-N 3.17Å; V751-F773 HydrophobicContact CB-CZ 4.33Å; V751-F773 HydrophobicContact CG2-CD1 4.35Å; V751-F773 HydrophobicContact CG2-CE1 3.66Å; V751-F773 HydrophobicContact CG2-CE2 4.35Å; V751-F773 HydrophobicContact CG2-CZ 3.68Å; V751-T794 HydrophobicContact CG1-CG2 4.01Å; V751-V815 HydrophobicContact CG1-CG1 3.95Å; V751-L819 HydrophobicContact CG2-CD2 4.35Å |
| 752 | L | 97 | Very high | 94.9 | Very high | 21 Ų | 21 | 46.4 Ų | 46.4 | 11% | 0.11 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.3 | -43.5 | 176.1 | -68.2 | 170.4 | 0 | 0 | 0 | 111.5 | S748 R749 W754 Y755 N756 T794 T797 L798 L807 | S748-L752 VanDerWaalsContact O-CG 3.29Å; S748-L752 WeakPolarHBondContact O-CG 3.21Å; S748-L752 PolarHBondContact O-N 3.42Å; R749-L752 PolarHBondContact O-N 2.79Å; L752-W754 VanDerWaalsContact C-N 3.31Å; L752-W754 PolarHBondContact O-N 3.3Å; L752-Y755 PolarHBondContact O-N 3.25Å; L752-N756 VanDerWaalsContact O-CB 3.29Å; L752-N756 WeakPolarHBondContact O-CB 3.49Å; L752-N756 PolarHBondContact O-N 3.01Å; L752-T794 HydrophobicContact CD2-CG2 3.93Å; L752-T794 HydrophobicContact CG-CG2 4.18Å; L752-T797 HydrophobicContact CD1-CG2 3.61Å; L752-T797 HydrophobicContact CD2-CG2 4.37Å; L752-L798 HydrophobicContact CD2-CD1 4.36Å; L752-L798 HydrophobicContact CD2-CD2 3.52Å; L752-L798 HydrophobicContact CD2-CG 3.73Å; L752-L807 HydrophobicContact CD2-CD1 4.45Å; L752-L807 HydrophobicContact CD2-CD2 4.49Å |
| 753 | L | 96.9 | Very high | 95.1 | Very high | 14 Ų | 14 | 46 Ų | 46 | 7% | 0.073 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.5 | -37.6 | 178 | -173.8 | 65 | 0 | 0 | 0 | 112.2 | L717 A729 R749 L750 V751 N756 T759 L765 | L717-L753 HydrophobicContact CB-CD2 4.31Å; L717-L753 HydrophobicContact CD2-CD2 3.78Å; A729-L753 HydrophobicContact CB-CD2 4.29Å; R749-L753 VanDerWaalsContact O-CB 3.28Å; R749-L753 WeakPolarHBondContact O-CB 3.29Å; R749-L753 PolarHBondContact O-N 3.33Å; L750-L753 PolarHBondContact O-N 3.48Å; V751-L753 VanDerWaalsContact C-N 3.35Å; V751-L753 PolarHBondContact O-N 3.15Å; L753-N756 PolarHBondContact O-N 2.6Å; L753-T759 HydrophobicContact CD1-CG2 3.55Å; L753-T759 HydrophobicContact CG-CG2 4.02Å; L753-T759 WeakPolarHBondContact O-CG2 3.29Å; L753-T759 PolarHBondContact O-OG1 3.19Å; L753-L765 HydrophobicContact CD2-CD1 4.09Å; L753-L765 HydrophobicContact CD2-CD2 4.44Å; L753-L765 HydrophobicContact CG-CD1 4.45Å; L753-L765 HydrophobicContact CG-CD2 4.33Å |
| 754 | W | 97.3 | Very high | 95.2 | Very high | 61 Ų | 61 | 49.5 Ų | 49.5 | 23% | 0.231 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.5 | -39.4 | 177.3 | -171.3 | 58.8 | 0 | 0 | 0 | 112.7 | L750 V751 L752 R766 L769 F773 L818 | L750-W754 WeakPolarHBondContact O-CB 3.33Å; L750-W754 PolarHBondContact O-N 3.1Å; V751-W754 PolarHBondContact O-N 3.47Å; L752-W754 VanDerWaalsContact C-N 3.31Å; L752-W754 PolarHBondContact O-N 3.3Å; W754-R766 PolarHBondContact NE1-O 2.9Å; W754-R766 PolarHBondContact O-NE 2.7Å; W754-L769 HydrophobicContact CB-CB 4.4Å; W754-L769 HydrophobicContact CB-CD1 4Å; W754-L769 HydrophobicContact CG-CB 4.17Å; W754-F773 HydrophobicContact CB-CE2 3.94Å; W754-F773 HydrophobicContact CB-CZ 4.48Å; W754-F773 HydrophobicContact CD2-CD2 4.5Å; W754-F773 HydrophobicContact CD2-CE2 4.09Å; W754-F773 HydrophobicContact CE3-CD2 4.49Å; W754-F773 HydrophobicContact CE3-CE2 4.23Å; W754-F773 AromaticContact CG-CE2 3.97Å; W754-F773 HydrophobicContact CG-CE2 3.97Å; W754-L818 HydrophobicContact CE3-CD2 4.08Å; W754-L818 HydrophobicContact CZ3-CD2 3.75Å |
| 755 | Y | 96.4 | Very high | 95.4 | Very high | 50 Ų | 50 | 48.7 Ų | 48.7 | 20% | 0.196 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -85.4 | -16 | 177.6 | -83.5 | -83.7 | 0 | 0 | 0 | 114 | V751 L752 P757 V810 N814 V815 L818 | V751-Y755 HydrophobicContact CG1-CD2 4.26Å; V751-Y755 HydrophobicContact CG1-CE2 4.48Å; V751-Y755 WeakPolarHBondContact O-CD2 3.23Å; V751-Y755 PolarHBondContact O-N 3.17Å; L752-Y755 PolarHBondContact O-N 3.25Å; Y755-P757 WeakPolarHBondContact O-CD 3.39Å; Y755-V810 HydrophobicContact CD1-CG1 4.01Å; Y755-V810 HydrophobicContact CG-CG1 4.17Å; Y755-V810 WeakPolarHBondContact O-CG2 3.43Å; Y755-N814 HydrophobicContact CE1-CB 4Å; Y755-N814 PolarHBondContact OH-O 3.47Å; Y755-V815 HydrophobicContact CD1-CG2 3.89Å; Y755-V815 HydrophobicContact CD2-CG2 3.74Å; Y755-V815 HydrophobicContact CE1-CG2 3.94Å; Y755-V815 HydrophobicContact CE2-CB 4.33Å; Y755-V815 HydrophobicContact CE2-CG1 4.44Å; Y755-V815 HydrophobicContact CE2-CG2 3.77Å; Y755-V815 HydrophobicContact CG-CG2 3.79Å; Y755-L818 HydrophobicContact CE2-CD2 3.77Å |
| 756 | N | 95.6 | Very high | 95.5 | Very high | 32 Ų | 32 | 44.2 Ų | 44.2 | 17% | 0.171 | 21% | 0.214 | C | C | . | . | trans | -61.9 | 124.1 | -178 | -172.3 | -21.3 | 0 | 0 | 0 | 110.7 | L752 L753 V758 T759 R766 P806 L807 | L752-N756 VanDerWaalsContact O-CB 3.29Å; L752-N756 WeakPolarHBondContact O-CB 3.49Å; L752-N756 PolarHBondContact O-N 3.01Å; L753-N756 PolarHBondContact O-N 2.6Å; N756-V758 PolarHBondContact O-N 3.22Å; N756-V758 VanDerWaalsContact O-N 3.08Å; N756-V758 WeakPolarHBondContact OD1-CB 3.37Å; N756-V758 WeakPolarHBondContact OD1-CG2 3.49Å; N756-V758 PolarHBondContact OD1-N 3.01Å; N756-T759 PolarHBondContact O-N 3.34Å; N756-T759 PolarHBondContact O-OG1 3.05Å; N756-R766 PolarHBondContact O-NH2 3.22Å; N756-P806 WeakPolarHBondContact OD1-CB 3.46Å; N756-L807 HydrophobicContact CB-CD2 4.04Å | ||
| 757 | P | 94.4 | Very high | 95.5 | Very high | 38 Ų | 38 | 49.8 Ų | 49.8 | 25% | 0.247 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -54 | -27.8 | 177.4 | -27.6 | 35.2 | 0 | 0 | 0 | 114.7 | Y755 T759 E760 P806 E809 | Y755-P757 WeakPolarHBondContact O-CD 3.39Å; P757-T759 PolarHBondContact O-N 2.97Å; P757-T759 VanDerWaalsContact O-N 3.17Å; P757-E760 VanDerWaalsContact O-CB 3.3Å; P757-E760 WeakPolarHBondContact O-CB 3.47Å; P757-E760 PolarHBondContact O-N 2.79Å; P757-P806 WeakPolarHBondContact CD-O 3.31Å; P757-P806 HydrophobicContact CG-CB 4.29Å; P757-P806 WeakPolarHBondContact CG-O 3.34Å; P757-E809 HydrophobicContact CG-CB 4.16Å |
| 758 | V | 92.9 | Very high | 95.5 | Very high | 77 Ų | 77 | 51.2 Ų | 51.2 | 47% | 0.467 | 25% | 0.25 | S | C | . | . | G | 310 helix | trans | -59.8 | -27.3 | 178.1 | 177.4 | 0 | 0 | 0 | 0 | 112.5 | N756 P806 | N756-V758 PolarHBondContact O-N 3.22Å; N756-V758 VanDerWaalsContact O-N 3.08Å; N756-V758 WeakPolarHBondContact OD1-CB 3.37Å; N756-V758 WeakPolarHBondContact OD1-CG2 3.49Å; N756-V758 PolarHBondContact OD1-N 3.01Å; V758-P806 HydrophobicContact CG2-CB 4.05Å; V758-P806 HydrophobicContact CG2-CG 3.73Å |
| 759 | T | 94.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -93.9 | 11.5 | 179.7 | 67.1 | 0 | 0 | 0 | 0 | 113.3 | L753 N756 P757 D761 D762 L765 R766 | L753-T759 HydrophobicContact CD1-CG2 3.55Å; L753-T759 HydrophobicContact CG-CG2 4.02Å; L753-T759 WeakPolarHBondContact O-CG2 3.29Å; L753-T759 PolarHBondContact O-OG1 3.19Å; N756-T759 PolarHBondContact O-N 3.34Å; N756-T759 PolarHBondContact O-OG1 3.05Å; P757-T759 PolarHBondContact O-N 2.97Å; P757-T759 VanDerWaalsContact O-N 3.17Å; T759-D761 VanDerWaalsContact C-N 3.26Å; T759-D761 PolarHBondContact O-N 2.85Å; T759-D762 PolarHBondContact O-N 3.33Å; T759-D762 VanDerWaalsContact O-N 3.08Å; T759-L765 HydrophobicContact CG2-CD1 4.46Å; T759-R766 WeakPolarHBondContact O-CD 3.42Å; T759-R766 PolarHBondContact O-NE 2.89Å; T759-R766 PolarHBondContact OG1-NE 2.87Å; T759-R766 VanDerWaalsContact OG1-NE 3.13Å; T759-R766 PolarHBondContact OG1-NH2 3.08Å |
| 760 | E | 91.6 | Very high | 95.6 | Very high | 120 Ų | 120 | 48.3 Ų | 48.3 | 56% | 0.561 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -39.1 | -178.4 | -172 | 173.9 | 180 | 0 | 0 | 112.4 | P757 R766 | P757-E760 VanDerWaalsContact O-CB 3.3Å; P757-E760 WeakPolarHBondContact O-CB 3.47Å; P757-E760 PolarHBondContact O-N 2.79Å; E760-R766 VanDerWaalsContact CA-CZ 3.48Å |
| 761 | D | 92.5 | Very high | 95.5 | Very high | 146 Ų | 146 | 52.6 Ų | 52.6 | 78% | 0.781 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -10.7 | 178.4 | -65 | -40.2 | 0 | 0 | 0 | 113.3 | T759 V763 | T759-D761 VanDerWaalsContact C-N 3.26Å; T759-D761 PolarHBondContact O-N 2.85Å; D761-V763 PolarHBondContact O-N 3.23Å |
| 762 | D | 94.1 | Very high | 95.5 | Very high | 11 Ų | 11 | 53.1 Ų | 53.1 | 6% | 0.059 | 27% | 0.272 | C | S | . | . | trans | -80.7 | 66 | 177.6 | -63.1 | -19 | 0 | 0 | 0 | 110.7 | S722 R725 T759 R764 L765 R766 | S722-D762 VanDerWaalsContact CB-OD1 3.26Å; S722-D762 WeakPolarHBondContact CB-OD1 3.34Å; S722-D762 VanDerWaalsContact OG-CG 3.29Å; S722-D762 PolarHBondContact OG-OD1 3.24Å; R725-D762 IonicContact CZ-OD2 2.64Å; R725-D762 IonicContact NE-OD2 3.53Å; R725-D762 PolarHBondContact NE-OD2 3.32Å; R725-D762 VanDerWaalsContact NE-OD2 3.15Å; R725-D762 IonicContact NH2-OD1 3.61Å; R725-D762 PolarHBondContact NH2-OD1 3.39Å; R725-D762 IonicContact NH2-OD2 2.9Å; R725-D762 PolarHBondContact NH2-OD2 3.37Å; T759-D762 PolarHBondContact O-N 3.33Å; T759-D762 VanDerWaalsContact O-N 3.08Å; D762-R764 VanDerWaalsContact C-N 3.3Å; D762-R764 PolarHBondContact O-N 2.71Å; D762-L765 HydrophobicContact CB-CB 3.82Å; D762-L765 HydrophobicContact CB-CD1 4.41Å; D762-L765 WeakPolarHBondContact O-CB 3.33Å; D762-L765 PolarHBondContact O-N 2.81Å; D762-L765 VanDerWaalsContact O-N 3.11Å; D762-R766 PolarHBondContact O-N 3.19Å | ||
| 763 | V | 94.2 | Very high | 95.6 | Very high | 86 Ų | 86 | 52.4 Ų | 52.4 | 52% | 0.521 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -55.5 | -43 | -171.7 | 179.5 | 0 | 0 | 0 | 0 | 112.3 | D761 R766 H767 | D761-V763 PolarHBondContact O-N 3.23Å; V763-R766 PolarHBondContact O-N 3.46Å; V763-H767 VanDerWaalsContact CG1-CE1 3.5Å; V763-H767 WeakPolarHBondContact CG1-CE1 3.33Å; V763-H767 WeakPolarHBondContact O-CB 3.47Å; V763-H767 PolarHBondContact O-N 2.94Å |
| 764 | R | 95.3 | Very high | 95.5 | Very high | 106 Ų | 106 | 54.2 Ų | 54.2 | 40% | 0.4 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.7 | -42.9 | -179.6 | -166.4 | -175.3 | 106.2 | -158.9 | 7.4 | 111.6 | T726 E727 E730 D762 C768 | T726-R764 HydrophobicContact CG2-CB 4.04Å; T726-R764 HydrophobicContact CG2-CG 4.12Å; T726-R764 VanDerWaalsContact CG2-CZ 3.45Å; T726-R764 VanDerWaalsContact CG2-NE 3.27Å; E727-R764 IonicContact OE1-CZ 3.82Å; E727-R764 VanDerWaalsContact OE1-CZ 3.3Å; E727-R764 IonicContact OE1-NH1 3.81Å; E727-R764 PolarHBondContact OE1-NH1 3.08Å; E727-R764 VanDerWaalsContact OE1-NH1 3.1Å; E727-R764 IonicContact OE1-NH2 3.27Å; E727-R764 PolarHBondContact OE1-NH2 2.67Å; E727-R764 IonicContact OE2-NH2 3.31Å; E730-R764 IonicContact OE2-CZ 3.97Å; E730-R764 IonicContact OE2-NE 3.41Å; E730-R764 IonicContact OE2-NH2 2.88Å; E730-R764 PolarHBondContact OE2-NH2 3.06Å; D762-R764 VanDerWaalsContact C-N 3.3Å; D762-R764 PolarHBondContact O-N 2.71Å; R764-C768 WeakPolarHBondContact O-CB 3.3Å; R764-C768 PolarHBondContact O-N 2.93Å |
| 765 | L | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.7 | -51.5 | 176.4 | -173.6 | 158.8 | 0 | 0 | 0 | 110.5 | R725 T726 A729 L753 T759 D762 H767 C768 L769 | R725-L765 HydrophobicContact CB-CD1 4.15Å; T726-L765 HydrophobicContact CG2-CB 3.97Å; A729-L765 HydrophobicContact CB-CD1 4.27Å; A729-L765 HydrophobicContact CB-CG 4.15Å; L753-L765 HydrophobicContact CD2-CD1 4.09Å; L753-L765 HydrophobicContact CD2-CD2 4.44Å; L753-L765 HydrophobicContact CG-CD1 4.45Å; L753-L765 HydrophobicContact CG-CD2 4.33Å; T759-L765 HydrophobicContact CG2-CD1 4.46Å; D762-L765 HydrophobicContact CB-CB 3.82Å; D762-L765 HydrophobicContact CB-CD1 4.41Å; D762-L765 WeakPolarHBondContact O-CB 3.33Å; D762-L765 PolarHBondContact O-N 2.81Å; D762-L765 VanDerWaalsContact O-N 3.11Å; L765-H767 PolarHBondContact O-N 3.06Å; L765-C768 WeakPolarHBondContact O-CB 3.26Å; L765-C768 PolarHBondContact O-N 3.11Å; L765-L769 HydrophobicContact CD2-CD1 3.62Å; L765-L769 HydrophobicContact CD2-CG 4.25Å; L765-L769 HydrophobicContact CG-CD1 4.45Å; L765-L769 PolarHBondContact O-N 2.61Å |
| 766 | R | 96.4 | Very high | 95.4 | Very high | 64 Ų | 64 | 53 Ų | 53 | 24% | 0.242 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.2 | -38.3 | -177.3 | -74.7 | -165.5 | 169.4 | -169.4 | 1.7 | 113.1 | W754 N756 T759 E760 D762 V763 G770 | W754-R766 PolarHBondContact NE1-O 2.9Å; W754-R766 PolarHBondContact O-NE 2.7Å; N756-R766 PolarHBondContact O-NH2 3.22Å; T759-R766 WeakPolarHBondContact O-CD 3.42Å; T759-R766 PolarHBondContact O-NE 2.89Å; T759-R766 PolarHBondContact OG1-NE 2.87Å; T759-R766 VanDerWaalsContact OG1-NE 3.13Å; T759-R766 PolarHBondContact OG1-NH2 3.08Å; E760-R766 VanDerWaalsContact CA-CZ 3.48Å; D762-R766 PolarHBondContact O-N 3.19Å; V763-R766 PolarHBondContact O-N 3.46Å; R766-G770 PolarHBondContact O-N 2.98Å |
| 767 | H | 94.9 | Very high | 95.3 | Very high | 130 Ų | 130 | 51.5 Ų | 51.5 | 60% | 0.602 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -66.9 | -44.2 | 173.4 | -73.5 | 169.3 | 0 | 0 | 0 | 112 | V763 L765 G770 V771 | V763-H767 VanDerWaalsContact CG1-CE1 3.5Å; V763-H767 WeakPolarHBondContact CG1-CE1 3.33Å; V763-H767 WeakPolarHBondContact O-CB 3.47Å; V763-H767 PolarHBondContact O-N 2.94Å; L765-H767 PolarHBondContact O-N 3.06Å; H767-G770 PolarHBondContact O-N 3.33Å; H767-V771 WeakPolarHBondContact O-CG2 3.09Å; H767-V771 PolarHBondContact O-N 3.16Å |
| 768 | C | 97 | Very high | 95.3 | Very high | 33 Ų | 33 | 54.9 Ų | 54.9 | 22% | 0.223 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.4 | -54.1 | 177.5 | 178.5 | 0 | 0 | 0 | 0 | 111.2 | R764 L765 G770 V771 F772 | R764-C768 WeakPolarHBondContact O-CB 3.3Å; R764-C768 PolarHBondContact O-N 2.93Å; L765-C768 WeakPolarHBondContact O-CB 3.26Å; L765-C768 PolarHBondContact O-N 3.11Å; C768-G770 PolarHBondContact O-N 2.9Å; C768-V771 PolarHBondContact O-N 3.12Å; C768-F772 VanDerWaalsContact O-CB 3.29Å; C768-F772 WeakPolarHBondContact O-CB 3.47Å; C768-F772 PolarHBondContact O-N 3.44Å |
| 769 | L | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.6 | -39.9 | -179.2 | -66.7 | -175.1 | 0 | 0 | 0 | 112.4 | A729 A733 L750 W754 L765 V771 F772 F773 | A729-L769 HydrophobicContact CB-CD2 4.38Å; A733-L769 HydrophobicContact CB-CD2 4.45Å; L750-L769 HydrophobicContact CB-CD1 4.49Å; L750-L769 HydrophobicContact CB-CD2 4.34Å; L750-L769 HydrophobicContact CD1-CD2 4.33Å; L750-L769 HydrophobicContact CD2-CD2 4.21Å; W754-L769 HydrophobicContact CB-CB 4.4Å; W754-L769 HydrophobicContact CB-CD1 4Å; W754-L769 HydrophobicContact CG-CB 4.17Å; L765-L769 HydrophobicContact CD2-CD1 3.62Å; L765-L769 HydrophobicContact CD2-CG 4.25Å; L765-L769 HydrophobicContact CG-CD1 4.45Å; L765-L769 PolarHBondContact O-N 2.61Å; L769-V771 VanDerWaalsContact C-N 3.32Å; L769-V771 PolarHBondContact O-N 2.89Å; L769-F772 HydrophobicContact CD2-CD1 4.26Å; L769-F772 PolarHBondContact O-N 3.35Å; L769-F773 HydrophobicContact CB-CD2 4.41Å; L769-F773 HydrophobicContact CB-CE2 3.81Å; L769-F773 HydrophobicContact CB-CZ 4.18Å; L769-F773 WeakPolarHBondContact O-CD2 3.36Å; L769-F773 WeakPolarHBondContact O-CG 3.42Å; L769-F773 PolarHBondContact O-N 3.21Å |
| 770 | G | 96.1 | Very high | 95.2 | Very high | 23 Ų | 23 | 57.3 Ų | 57.3 | 24% | 0.237 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.4 | -40.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R766 H767 C768 | R766-G770 PolarHBondContact O-N 2.98Å; H767-G770 PolarHBondContact O-N 3.33Å; C768-G770 PolarHBondContact O-N 2.9Å |
| 771 | V | 96.4 | Very high | 95.2 | Very high | 89 Ų | 89 | 56.4 Ų | 56.4 | 54% | 0.539 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -72.3 | -45.7 | 173.9 | 175 | 0 | 0 | 0 | 0 | 110.8 | H767 C768 L769 F773 Q774 L775 | H767-V771 WeakPolarHBondContact O-CG2 3.09Å; H767-V771 PolarHBondContact O-N 3.16Å; C768-V771 PolarHBondContact O-N 3.12Å; L769-V771 VanDerWaalsContact C-N 3.32Å; L769-V771 PolarHBondContact O-N 2.89Å; V771-F773 PolarHBondContact O-N 3.42Å; V771-Q774 PolarHBondContact O-N 3.46Å; V771-L775 HydrophobicContact CG1-CD1 3.65Å; V771-L775 HydrophobicContact CG1-CG 4.16Å; V771-L775 WeakPolarHBondContact O-CG 3.28Å; V771-L775 PolarHBondContact O-N 3.09Å |
| 772 | F | 97.8 | Very high | 95.2 | Very high | 13 Ų | 13 | 52 Ų | 52 | 6% | 0.057 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -55.6 | -51 | -179.2 | 160.9 | -108.4 | 0 | 0 | 0 | 112.3 | A733 M736 L747 L750 C768 L769 Q774 L775 Y776 | A733-F772 HydrophobicContact CB-CB 4.04Å; A733-F772 HydrophobicContact CB-CD1 3.88Å; A733-F772 HydrophobicContact CB-CD2 3.58Å; A733-F772 HydrophobicContact CB-CE1 4.22Å; A733-F772 HydrophobicContact CB-CE2 3.96Å; A733-F772 HydrophobicContact CB-CG 3.53Å; A733-F772 HydrophobicContact CB-CZ 4.26Å; A733-F772 WeakPolarHBondContact O-CE2 3.45Å; M736-F772 HydrophobicContact CB-CE2 4.2Å; M736-F772 HydrophobicContact CB-CZ 3.96Å; M736-F772 HydrophobicContact SD-CZ 4.49Å; L747-F772 HydrophobicContact CD1-CE1 3.82Å; L747-F772 HydrophobicContact CD1-CZ 4.21Å; L750-F772 HydrophobicContact CD1-CE1 4.09Å; C768-F772 VanDerWaalsContact O-CB 3.29Å; C768-F772 WeakPolarHBondContact O-CB 3.47Å; C768-F772 PolarHBondContact O-N 3.44Å; L769-F772 HydrophobicContact CD2-CD1 4.26Å; L769-F772 PolarHBondContact O-N 3.35Å; F772-Q774 VanDerWaalsContact C-N 3.27Å; F772-Q774 PolarHBondContact O-N 3Å; F772-L775 PolarHBondContact O-N 3.41Å; F772-L775 VanDerWaalsContact O-N 3.17Å; F772-Y776 AromaticContact CE2-CD2 3.8Å; F772-Y776 HydrophobicContact CE2-CD2 3.8Å; F772-Y776 AromaticContact CE2-CG 3.81Å; F772-Y776 HydrophobicContact CE2-CG 3.81Å; F772-Y776 HydrophobicContact CZ-CD1 4.31Å; F772-Y776 HydrophobicContact CZ-CD2 4.07Å; F772-Y776 AromaticContact CZ-CG 3.86Å; F772-Y776 HydrophobicContact CZ-CG 3.86Å; F772-Y776 WeakPolarHBondContact O-CB 3.44Å; F772-Y776 PolarHBondContact O-N 3.41Å |
| 773 | F | 97.8 | Very high | 95.2 | Very high | 6 Ų | 6 | 52.6 Ų | 52.6 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.3 | -41.7 | -176.2 | -66.7 | -47.8 | 0 | 0 | 0 | 112.3 | L747 L750 V751 W754 L769 V771 A777 L822 | L747-F773 HydrophobicContact CD1-CD1 3.98Å; L747-F773 HydrophobicContact CD1-CE1 3.69Å; L750-F773 HydrophobicContact CB-CE1 4.15Å; L750-F773 HydrophobicContact CB-CZ 4.01Å; V751-F773 HydrophobicContact CB-CZ 4.33Å; V751-F773 HydrophobicContact CG2-CD1 4.35Å; V751-F773 HydrophobicContact CG2-CE1 3.66Å; V751-F773 HydrophobicContact CG2-CE2 4.35Å; V751-F773 HydrophobicContact CG2-CZ 3.68Å; W754-F773 HydrophobicContact CB-CE2 3.94Å; W754-F773 HydrophobicContact CB-CZ 4.48Å; W754-F773 HydrophobicContact CD2-CD2 4.5Å; W754-F773 HydrophobicContact CD2-CE2 4.09Å; W754-F773 HydrophobicContact CE3-CD2 4.49Å; W754-F773 HydrophobicContact CE3-CE2 4.23Å; W754-F773 AromaticContact CG-CE2 3.97Å; W754-F773 HydrophobicContact CG-CE2 3.97Å; L769-F773 HydrophobicContact CB-CD2 4.41Å; L769-F773 HydrophobicContact CB-CE2 3.81Å; L769-F773 HydrophobicContact CB-CZ 4.18Å; L769-F773 WeakPolarHBondContact O-CD2 3.36Å; L769-F773 WeakPolarHBondContact O-CG 3.42Å; L769-F773 PolarHBondContact O-N 3.21Å; V771-F773 PolarHBondContact O-N 3.42Å; F773-A777 WeakPolarHBondContact O-CB 3.34Å; F773-A777 PolarHBondContact O-N 3.3Å; F773-A777 VanDerWaalsContact O-N 3.14Å; F773-L822 HydrophobicContact CB-CD1 3.85Å; F773-L822 HydrophobicContact CB-CD2 4.31Å; F773-L822 HydrophobicContact CG-CD1 4.5Å; F773-L822 WeakPolarHBondContact O-CD2 3.41Å |
| 774 | Q | 95.1 | Very high | 95.2 | Very high | 52 Ų | 52 | 48.6 Ų | 48.6 | 24% | 0.243 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.3 | -44.4 | 178.1 | -65.4 | -65.3 | -33.2 | 0 | 0 | 111.9 | V771 F772 R778 L822 | V771-Q774 PolarHBondContact O-N 3.46Å; F772-Q774 VanDerWaalsContact C-N 3.27Å; F772-Q774 PolarHBondContact O-N 3Å; Q774-R778 WeakPolarHBondContact O-CB 3.33Å; Q774-R778 WeakPolarHBondContact O-CD 3.49Å; Q774-R778 WeakPolarHBondContact O-CG 3.46Å; Q774-R778 PolarHBondContact O-N 3.18Å; Q774-L822 HydrophobicContact CG-CD2 4.47Å |
| 775 | L | 94.9 | Very high | 95.2 | Very high | 85 Ų | 85 | 46.5 Ų | 46.5 | 45% | 0.445 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -69.1 | -43.3 | 178.9 | -66.9 | -180 | 0 | 0 | 0 | 111.7 | Y737 V771 F772 R778 E779 | Y737-L775 HydrophobicContact CD2-CB 4.49Å; Y737-L775 HydrophobicContact CE2-CB 3.99Å; V771-L775 HydrophobicContact CG1-CD1 3.65Å; V771-L775 HydrophobicContact CG1-CG 4.16Å; V771-L775 WeakPolarHBondContact O-CG 3.28Å; V771-L775 PolarHBondContact O-N 3.09Å; F772-L775 PolarHBondContact O-N 3.41Å; F772-L775 VanDerWaalsContact O-N 3.17Å; L775-R778 PolarHBondContact O-N 3.29Å; L775-E779 WeakPolarHBondContact O-CB 3.31Å; L775-E779 PolarHBondContact O-N 3.35Å |
| 776 | Y | 96 | Very high | 95.1 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.008 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.7 | -55.1 | -179.4 | -177.2 | -109.6 | 0 | 0 | 0 | 111.6 | M736 Y737 L747 F772 R778 E779 H783 V786 V787 | M736-Y776 HydrophobicContact CB-CE2 4.08Å; M736-Y776 WeakPolarHBondContact O-CE2 3.11Å; Y737-Y776 HydrophobicContact CD2-CD2 4.44Å; L747-Y776 HydrophobicContact CD2-CD1 4.37Å; L747-Y776 HydrophobicContact CD2-CE1 3.91Å; F772-Y776 AromaticContact CE2-CD2 3.8Å; F772-Y776 HydrophobicContact CE2-CD2 3.8Å; F772-Y776 AromaticContact CE2-CG 3.81Å; F772-Y776 HydrophobicContact CE2-CG 3.81Å; F772-Y776 HydrophobicContact CZ-CD1 4.31Å; F772-Y776 HydrophobicContact CZ-CD2 4.07Å; F772-Y776 AromaticContact CZ-CG 3.86Å; F772-Y776 HydrophobicContact CZ-CG 3.86Å; F772-Y776 WeakPolarHBondContact O-CB 3.44Å; F772-Y776 PolarHBondContact O-N 3.41Å; Y776-R778 VanDerWaalsContact C-N 3.32Å; Y776-R778 PolarHBondContact O-N 3.5Å; Y776-E779 PolarHBondContact O-N 3.02Å; Y776-H783 HydrophobicContact CD1-CB 4Å; Y776-H783 HydrophobicContact CD2-CB 4.26Å; Y776-H783 AromaticContact CD2-CG 3.88Å; Y776-H783 AromaticContact CD2-ND1 3.87Å; Y776-H783 HydrophobicContact CE1-CB 3.72Å; Y776-H783 HydrophobicContact CE2-CB 3.99Å; Y776-H783 AromaticContact CE2-CD2 3.41Å; Y776-H783 VanDerWaalsContact CE2-CD2 3.41Å; Y776-H783 WeakPolarHBondContact CE2-CD2 3.31Å; Y776-H783 AromaticContact CE2-CE1 3.97Å; Y776-H783 AromaticContact CE2-CG 3.51Å; Y776-H783 AromaticContact CE2-ND1 3.86Å; Y776-H783 AromaticContact CE2-NE2 3.74Å; Y776-H783 HydrophobicContact CG-CB 4.26Å; Y776-H783 AromaticContact CZ-CD2 3.6Å; Y776-H783 AromaticContact CZ-CG 3.69Å; Y776-H783 WeakPolarHBondContact O-CB 3.39Å; Y776-H783 PolarHBondContact O-ND1 3.3Å; Y776-V786 HydrophobicContact CE1-CB 4.48Å; Y776-V787 HydrophobicContact CD1-CG2 4.27Å; Y776-V787 HydrophobicContact CE1-CG2 4.36Å |
| 777 | A | 95.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.7 | -30.4 | -175 | 0 | 0 | 0 | 0 | 0 | 112.9 | F773 Q784 V787 L822 | F773-A777 WeakPolarHBondContact O-CB 3.34Å; F773-A777 PolarHBondContact O-N 3.3Å; F773-A777 VanDerWaalsContact O-N 3.14Å; A777-Q784 WeakPolarHBondContact O-CG 3.41Å; A777-V787 HydrophobicContact CB-CG2 4.18Å; A777-L822 HydrophobicContact CB-CB 3.81Å; A777-L822 HydrophobicContact CB-CD2 4Å; A777-L822 HydrophobicContact CB-CG 4.42Å; A777-L822 WeakPolarHBondContact CB-O 3.37Å |
| 778 | R | 93.8 | Very high | 95.2 | Very high | 109 Ų | 109 | 38 Ų | 38 | 41% | 0.411 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -83.3 | -15.4 | -178.5 | -62.4 | -179.8 | -171.7 | -167 | 0.8 | 114.2 | Q774 L775 Y776 G827 I829 | Q774-R778 WeakPolarHBondContact O-CB 3.33Å; Q774-R778 WeakPolarHBondContact O-CD 3.49Å; Q774-R778 WeakPolarHBondContact O-CG 3.46Å; Q774-R778 PolarHBondContact O-N 3.18Å; L775-R778 PolarHBondContact O-N 3.29Å; Y776-R778 VanDerWaalsContact C-N 3.32Å; Y776-R778 PolarHBondContact O-N 3.5Å; R778-G827 WeakPolarHBondContact CB-O 3.28Å; R778-G827 WeakPolarHBondContact CG-O 3.45Å; R778-I829 HydrophobicContact CB-CD1 4.43Å; R778-I829 HydrophobicContact CB-CG1 4.14Å; R778-I829 PolarHBondContact O-N 3.49Å |
| 779 | E | 93.4 | Very high | 95.1 | Very high | 93 Ų | 93 | 40.8 Ų | 40.8 | 44% | 0.435 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -69.2 | -44.3 | -177 | -175.2 | 64.1 | -147 | 0 | 0 | 112.3 | Y737 L775 Y776 | Y737-E779 HydrophobicContact CE2-CB 4.26Å; Y737-E779 HydrophobicContact CE2-CG 4.38Å; Y737-E779 PolarHBondContact OH-OE2 3.36Å; Y737-E779 VanDerWaalsContact OH-OE2 3.1Å; L775-E779 WeakPolarHBondContact O-CB 3.31Å; L775-E779 PolarHBondContact O-N 3.35Å; Y776-E779 PolarHBondContact O-N 3.02Å |
| 780 | S | 91.6 | Very high | 95 | Very high | 36 Ų | 36 | 40.8 Ų | 40.8 | 25% | 0.252 | 21% | 0.21 | S | C | . | . | trans | -154.3 | 154.9 | -176.1 | 78.2 | 0 | 0 | 0 | 0 | 113.5 | A782 H783 Q784 | S780-A782 VanDerWaalsContact C-N 3.28Å; S780-A782 PolarHBondContact O-N 3.47Å; S780-H783 PolarHBondContact O-N 3.13Å; S780-H783 PolarHBondContact OG-CD2 3.49Å; S780-H783 PolarHBondContact OG-N 2.98Å; S780-H783 PolarHBondContact OG-ND1 3.3Å; S780-Q784 PolarHBondContact O-N 2.95Å | ||
| 781 | R | 91.3 | Very high | 95 | Very high | 100 Ų | 100 | 39.8 Ų | 39.8 | 38% | 0.377 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -58 | -39.9 | 172.5 | -176 | -177 | -175.7 | -109.9 | 13.2 | 111.8 | H783 Q784 E785 V838 V840 | R781-H783 VanDerWaalsContact C-N 3.26Å; R781-H783 PolarHBondContact O-N 3.37Å; R781-Q784 WeakPolarHBondContact O-CA 3.44Å; R781-Q784 WeakPolarHBondContact O-CB 3.29Å; R781-Q784 PolarHBondContact O-N 2.96Å; R781-E785 IonicContact CZ-OE1 2.64Å; R781-E785 VanDerWaalsContact CZ-OE1 3.27Å; R781-E785 IonicContact NE-OE1 3.91Å; R781-E785 IonicContact NH1-OE1 2.93Å; R781-E785 PolarHBondContact NH1-OE1 3.25Å; R781-E785 WeakPolarHBondContact O-CG 3.24Å; R781-E785 PolarHBondContact O-N 2.94Å; R781-V838 PolarHBondContact NH2-O 2.82Å; R781-V840 HydrophobicContact CG-CG2 4.1Å |
| 782 | A | 92.5 | Very high | 94.9 | Very high | 55 Ų | 55 | 36.4 Ų | 36.4 | 46% | 0.455 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -59.2 | -37.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | S780 E785 V786 | S780-A782 VanDerWaalsContact C-N 3.28Å; S780-A782 PolarHBondContact O-N 3.47Å; A782-E785 PolarHBondContact O-N 3.11Å; A782-V786 WeakPolarHBondContact O-CG2 3.18Å; A782-V786 PolarHBondContact O-N 3.11Å |
| 783 | H | 94.3 | Very high | 94.7 | Very high | 23 Ų | 23 | 38.5 Ų | 38.5 | 11% | 0.106 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.8 | -38 | 174.4 | -61.4 | 161.3 | 0 | 0 | 0 | 112.3 | Y776 S780 R781 E785 V786 V787 | Y776-H783 HydrophobicContact CD1-CB 4Å; Y776-H783 HydrophobicContact CD2-CB 4.26Å; Y776-H783 AromaticContact CD2-CG 3.88Å; Y776-H783 AromaticContact CD2-ND1 3.87Å; Y776-H783 HydrophobicContact CE1-CB 3.72Å; Y776-H783 HydrophobicContact CE2-CB 3.99Å; Y776-H783 AromaticContact CE2-CD2 3.41Å; Y776-H783 VanDerWaalsContact CE2-CD2 3.41Å; Y776-H783 WeakPolarHBondContact CE2-CD2 3.31Å; Y776-H783 AromaticContact CE2-CE1 3.97Å; Y776-H783 AromaticContact CE2-CG 3.51Å; Y776-H783 AromaticContact CE2-ND1 3.86Å; Y776-H783 AromaticContact CE2-NE2 3.74Å; Y776-H783 HydrophobicContact CG-CB 4.26Å; Y776-H783 AromaticContact CZ-CD2 3.6Å; Y776-H783 AromaticContact CZ-CG 3.69Å; Y776-H783 WeakPolarHBondContact O-CB 3.39Å; Y776-H783 PolarHBondContact O-ND1 3.3Å; S780-H783 PolarHBondContact O-N 3.13Å; S780-H783 PolarHBondContact OG-CD2 3.49Å; S780-H783 PolarHBondContact OG-N 2.98Å; S780-H783 PolarHBondContact OG-ND1 3.3Å; R781-H783 VanDerWaalsContact C-N 3.26Å; R781-H783 PolarHBondContact O-N 3.37Å; H783-E785 VanDerWaalsContact C-N 3.33Å; H783-V786 PolarHBondContact O-N 3.11Å; H783-V787 WeakPolarHBondContact O-CG2 3.34Å; H783-V787 PolarHBondContact O-N 3.42Å |
| 784 | Q | 94.6 | Very high | 94.7 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.009 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.1 | -37.5 | 174.1 | -64.3 | -170.8 | -47.9 | 0 | 0 | 112.2 | A777 S780 R781 V786 V787 E788 L822 R824 L828 V840 | A777-Q784 WeakPolarHBondContact O-CG 3.41Å; S780-Q784 PolarHBondContact O-N 2.95Å; R781-Q784 WeakPolarHBondContact O-CA 3.44Å; R781-Q784 WeakPolarHBondContact O-CB 3.29Å; R781-Q784 PolarHBondContact O-N 2.96Å; Q784-V786 VanDerWaalsContact C-N 3.33Å; Q784-V786 PolarHBondContact O-N 3.44Å; Q784-V787 WeakPolarHBondContact O-CB 3.48Å; Q784-V787 PolarHBondContact O-N 3.14Å; Q784-E788 WeakPolarHBondContact O-CB 3.34Å; Q784-E788 PolarHBondContact O-N 2.81Å; Q784-L822 PolarHBondContact NE2-O 3.16Å; Q784-R824 PolarHBondContact NE2-O 3.38Å; Q784-L828 HydrophobicContact CG-CD2 4.16Å; Q784-V840 HydrophobicContact CB-CB 4.4Å; Q784-V840 HydrophobicContact CB-CG1 4.26Å; Q784-V840 HydrophobicContact CB-CG2 3.85Å |
| 785 | E | 94.7 | Very high | 94.7 | Very high | 62 Ų | 62 | 35.8 Ų | 35.8 | 29% | 0.29 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59.9 | -43.3 | 173.3 | -70.4 | 166 | -172.1 | 0 | 0 | 111.1 | R781 A782 H783 V787 E788 E789 V840 | R781-E785 IonicContact CZ-OE1 2.64Å; R781-E785 VanDerWaalsContact CZ-OE1 3.27Å; R781-E785 IonicContact NE-OE1 3.91Å; R781-E785 IonicContact NH1-OE1 2.93Å; R781-E785 PolarHBondContact NH1-OE1 3.25Å; R781-E785 WeakPolarHBondContact O-CG 3.24Å; R781-E785 PolarHBondContact O-N 2.94Å; A782-E785 PolarHBondContact O-N 3.11Å; H783-E785 VanDerWaalsContact C-N 3.33Å; E785-V787 VanDerWaalsContact C-N 3.33Å; E785-V787 PolarHBondContact O-N 3.42Å; E785-E788 WeakPolarHBondContact O-CB 3.43Å; E785-E788 PolarHBondContact O-N 2.96Å; E785-E789 WeakPolarHBondContact O-CG 3.29Å; E785-E789 PolarHBondContact O-N 3.27Å; E785-V840 HydrophobicContact CG-CG2 4.06Å |
| 786 | V | 96 | Very high | 94.6 | Very high | 7 Ų | 7 | 36.1 Ų | 36.1 | 4% | 0.042 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.3 | -42.5 | 174.2 | 179.5 | 0 | 0 | 0 | 0 | 111.2 | M736 S742 A744 L747 Y776 A782 H783 Q784 E788 E789 T790 | M736-V786 HydrophobicContact CE-CG1 4.36Å; S742-V786 VanDerWaalsContact OG-CG2 3.24Å; S742-V786 WeakPolarHBondContact OG-CG2 3.43Å; A744-V786 HydrophobicContact CB-CG1 4.46Å; L747-V786 HydrophobicContact CD2-CG1 3.86Å; Y776-V786 HydrophobicContact CE1-CB 4.48Å; A782-V786 WeakPolarHBondContact O-CG2 3.18Å; A782-V786 PolarHBondContact O-N 3.11Å; H783-V786 PolarHBondContact O-N 3.11Å; Q784-V786 VanDerWaalsContact C-N 3.33Å; Q784-V786 PolarHBondContact O-N 3.44Å; V786-E788 VanDerWaalsContact C-N 3.33Å; V786-E788 PolarHBondContact O-N 3.43Å; V786-E789 PolarHBondContact O-N 3.41Å; V786-T790 WeakPolarHBondContact O-CG2 3.37Å; V786-T790 PolarHBondContact O-N 3.39Å; V786-T790 VanDerWaalsContact O-N 3.16Å |
| 787 | V | 96.4 | Very high | 94.6 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.024 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.8 | -43.8 | 175.5 | 179.3 | 0 | 0 | 0 | 0 | 110.6 | L747 Y776 A777 H783 Q784 E785 T790 F791 L819 L822 T823 | L747-V787 HydrophobicContact CD2-CB 4.38Å; L747-V787 HydrophobicContact CD2-CG2 3.78Å; Y776-V787 HydrophobicContact CD1-CG2 4.27Å; Y776-V787 HydrophobicContact CE1-CG2 4.36Å; A777-V787 HydrophobicContact CB-CG2 4.18Å; H783-V787 WeakPolarHBondContact O-CG2 3.34Å; H783-V787 PolarHBondContact O-N 3.42Å; Q784-V787 WeakPolarHBondContact O-CB 3.48Å; Q784-V787 PolarHBondContact O-N 3.14Å; E785-V787 VanDerWaalsContact C-N 3.33Å; E785-V787 PolarHBondContact O-N 3.42Å; V787-T790 WeakPolarHBondContact O-CB 3.03Å; V787-T790 PolarHBondContact O-N 3.34Å; V787-T790 VanDerWaalsContact O-N 3.11Å; V787-T790 PolarHBondContact O-OG1 3.25Å; V787-F791 PolarHBondContact O-N 2.92Å; V787-L819 HydrophobicContact CG1-CD2 3.83Å; V787-L822 HydrophobicContact CG1-CB 4.03Å; V787-L822 HydrophobicContact CG1-CD1 4.47Å; V787-T823 HydrophobicContact CB-CG2 3.93Å; V787-T823 HydrophobicContact CG1-CG2 3.67Å |
| 788 | E | 95.9 | Very high | 94.6 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 2% | 0.023 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.6 | -41.6 | 178.7 | -174.2 | -86.4 | 162.4 | 0 | 0 | 112 | Q784 E785 V786 T790 F791 T823 V840 L844 R847 | Q784-E788 WeakPolarHBondContact O-CB 3.34Å; Q784-E788 PolarHBondContact O-N 2.81Å; E785-E788 WeakPolarHBondContact O-CB 3.43Å; E785-E788 PolarHBondContact O-N 2.96Å; V786-E788 VanDerWaalsContact C-N 3.33Å; V786-E788 PolarHBondContact O-N 3.43Å; E788-T790 PolarHBondContact O-N 3Å; E788-F791 WeakPolarHBondContact O-CB 3.36Å; E788-F791 PolarHBondContact O-N 2.87Å; E788-T823 HydrophobicContact CB-CG2 4.04Å; E788-V840 HydrophobicContact CB-CG1 3.42Å; E788-V840 VanDerWaalsContact CB-CG1 3.42Å; E788-V840 HydrophobicContact CG-CG1 3.71Å; E788-L844 HydrophobicContact CG-CB 3.89Å; E788-L844 HydrophobicContact CG-CD1 4.21Å; E788-L844 PolarHBondContact OE1-N 3.05Å; E788-R847 VanDerWaalsContact CD-NE 3.32Å; E788-R847 WeakPolarHBondContact OE1-CD 3.31Å; E788-R847 IonicContact OE1-CZ 2.61Å; E788-R847 IonicContact OE1-NE 2.82Å; E788-R847 PolarHBondContact OE1-NE 3.28Å; E788-R847 IonicContact OE1-NH2 3.08Å; E788-R847 IonicContact OE2-CZ 3.65Å; E788-R847 IonicContact OE2-NE 2.72Å; E788-R847 PolarHBondContact OE2-NE 2.64Å; E788-R847 IonicContact OE2-NH2 3.87Å; E788-R847 PolarHBondContact OE2-NH2 3.31Å |
| 789 | E | 95.7 | Very high | 94.6 | Very high | 90 Ų | 90 | 37 Ų | 37 | 42% | 0.421 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.3 | -29 | 172.9 | -73.8 | 179.3 | 178.7 | 0 | 0 | 112.9 | A744 E785 V786 F791 P793 | A744-E789 HydrophobicContact CB-CB 3.6Å; E785-E789 WeakPolarHBondContact O-CG 3.29Å; E785-E789 PolarHBondContact O-N 3.27Å; V786-E789 PolarHBondContact O-N 3.41Å; E789-F791 VanDerWaalsContact C-N 3.28Å; E789-F791 PolarHBondContact O-N 3.29Å; E789-P793 VanDerWaalsContact O-CD 3.31Å; E789-P793 WeakPolarHBondContact O-CD 3.46Å |
| 790 | T | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -74.1 | -16.6 | 175.9 | 75.3 | 0 | 0 | 0 | 0 | 114.3 | A744 L747 V786 V787 E788 P793 T794 | A744-T790 HydrophobicContact CB-CG2 3.93Å; A744-T790 WeakPolarHBondContact O-CG2 3.09Å; L747-T790 HydrophobicContact CB-CG2 3.69Å; L747-T790 HydrophobicContact CD2-CG2 3.74Å; L747-T790 HydrophobicContact CG-CG2 3.81Å; V786-T790 WeakPolarHBondContact O-CG2 3.37Å; V786-T790 PolarHBondContact O-N 3.39Å; V786-T790 VanDerWaalsContact O-N 3.16Å; V787-T790 WeakPolarHBondContact O-CB 3.03Å; V787-T790 PolarHBondContact O-N 3.34Å; V787-T790 VanDerWaalsContact O-N 3.11Å; V787-T790 PolarHBondContact O-OG1 3.25Å; E788-T790 PolarHBondContact O-N 3Å; T790-P793 WeakPolarHBondContact O-CD 3.45Å; T790-T794 VanDerWaalsContact O-CB 3.27Å; T790-T794 WeakPolarHBondContact O-CB 3.49Å; T790-T794 PolarHBondContact O-N 3.04Å; T790-T794 PolarHBondContact O-OG1 3.21Å |
| 791 | F | 95.9 | Very high | 94.7 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.009 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.7 | -62.4 | -167.4 | -175.3 | -89.5 | 0 | 0 | 0 | 111.9 | V787 E788 E789 T794 I795 V816 L819 V820 L844 M848 Y864 | V787-F791 PolarHBondContact O-N 2.92Å; E788-F791 WeakPolarHBondContact O-CB 3.36Å; E788-F791 PolarHBondContact O-N 2.87Å; E789-F791 VanDerWaalsContact C-N 3.28Å; E789-F791 PolarHBondContact O-N 3.29Å; F791-T794 PolarHBondContact O-N 3.39Å; F791-I795 HydrophobicContact CE1-CG1 4.35Å; F791-I795 HydrophobicContact CZ-CG1 4.45Å; F791-I795 WeakPolarHBondContact O-CG1 3.45Å; F791-I795 PolarHBondContact O-N 2.93Å; F791-V816 HydrophobicContact CE2-CG1 4.1Å; F791-V816 HydrophobicContact CE2-CG2 4.41Å; F791-V816 HydrophobicContact CZ-CG1 4.1Å; F791-V816 HydrophobicContact CZ-CG2 4.27Å; F791-L819 HydrophobicContact CD2-CB 3.9Å; F791-L819 HydrophobicContact CD2-CD1 3.93Å; F791-L819 HydrophobicContact CE2-CB 4.36Å; F791-V820 HydrophobicContact CE2-CG2 4.27Å; F791-L844 HydrophobicContact CB-CD1 3.79Å; F791-L844 HydrophobicContact CD1-CD1 3.65Å; F791-L844 HydrophobicContact CD2-CD1 3.78Å; F791-L844 HydrophobicContact CD2-CD2 4.39Å; F791-L844 HydrophobicContact CE1-CD1 4.13Å; F791-L844 HydrophobicContact CE2-CD1 4.24Å; F791-L844 HydrophobicContact CE2-CD2 4.48Å; F791-L844 HydrophobicContact CG-CD1 3.46Å; F791-L844 VanDerWaalsContact CG-CD1 3.46Å; F791-L844 HydrophobicContact CZ-CD1 4.4Å; F791-M848 HydrophobicContact CE1-CE 4.25Å; F791-M848 HydrophobicContact CE1-CG 3.97Å; F791-M848 HydrophobicContact CE1-SD 4.17Å; F791-M848 HydrophobicContact CZ-CE 4.03Å; F791-M848 HydrophobicContact CZ-SD 4.15Å; F791-Y864 HydrophobicContact CE1-CD1 4.31Å; F791-Y864 AromaticContact CE1-CE1 3.98Å; F791-Y864 HydrophobicContact CE1-CE1 3.98Å |
| 792 | L | 93.8 | Very high | 94.9 | Very high | 19 Ų | 19 | 37 Ų | 37 | 10% | 0.099 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64 | -45.2 | -178.1 | -67.5 | 179.1 | 0 | 0 | 0 | 113.2 | T794 I795 R796 R847 E851 Y864 | L792-T794 VanDerWaalsContact C-N 3.3Å; L792-T794 PolarHBondContact O-N 3.18Å; L792-I795 PolarHBondContact O-N 2.95Å; L792-R796 WeakPolarHBondContact O-CB 3.24Å; L792-R796 VanDerWaalsContact O-CG 3.29Å; L792-R796 WeakPolarHBondContact O-CG 3.34Å; L792-R796 PolarHBondContact O-N 3.4Å; L792-R847 HydrophobicContact CD1-CB 4.14Å; L792-E851 HydrophobicContact CD2-CB 4.29Å; L792-E851 HydrophobicContact CD2-CG 4.18Å; L792-Y864 HydrophobicContact CD2-CE1 4.49Å |
| 793 | P | 94.8 | Very high | 94.8 | Very high | 57 Ų | 57 | 39.3 Ų | 39.3 | 37% | 0.37 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -55.1 | -42.3 | 175 | -27.5 | 34.7 | 0 | 0 | 0 | 113.7 | E789 T790 T797 | E789-P793 VanDerWaalsContact O-CD 3.31Å; E789-P793 WeakPolarHBondContact O-CD 3.46Å; T790-P793 WeakPolarHBondContact O-CD 3.45Å; P793-T797 WeakPolarHBondContact O-CB 3.46Å; P793-T797 PolarHBondContact O-N 3.12Å; P793-T797 PolarHBondContact O-OG1 3.28Å |
| 794 | T | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.8 | -49.6 | -179.2 | -54.9 | 0 | 0 | 0 | 0 | 110.9 | S748 V751 L752 T790 F791 L792 R796 T797 L798 V815 | S748-T794 WeakPolarHBondContact CB-OG1 3.47Å; S748-T794 PolarHBondContact OG-OG1 3.3Å; V751-T794 HydrophobicContact CG1-CG2 4.01Å; L752-T794 HydrophobicContact CD2-CG2 3.93Å; L752-T794 HydrophobicContact CG-CG2 4.18Å; T790-T794 VanDerWaalsContact O-CB 3.27Å; T790-T794 WeakPolarHBondContact O-CB 3.49Å; T790-T794 PolarHBondContact O-N 3.04Å; T790-T794 PolarHBondContact O-OG1 3.21Å; F791-T794 PolarHBondContact O-N 3.39Å; L792-T794 VanDerWaalsContact C-N 3.3Å; L792-T794 PolarHBondContact O-N 3.18Å; T794-R796 PolarHBondContact O-N 3.5Å; T794-T797 WeakPolarHBondContact O-CB 3.27Å; T794-T797 PolarHBondContact O-N 2.95Å; T794-L798 PolarHBondContact O-N 3.23Å; T794-L798 VanDerWaalsContact O-N 3.13Å; T794-V815 HydrophobicContact CG2-CG1 3.98Å |
| 795 | I | 95 | Very high | 94.8 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.8 | -42.3 | -178.7 | -59.6 | -45.7 | 0 | 0 | 0 | 111.3 | F791 L792 T797 L798 L799 I812 V815 V816 L863 Y864 | F791-I795 HydrophobicContact CE1-CG1 4.35Å; F791-I795 HydrophobicContact CZ-CG1 4.45Å; F791-I795 WeakPolarHBondContact O-CG1 3.45Å; F791-I795 PolarHBondContact O-N 2.93Å; L792-I795 PolarHBondContact O-N 2.95Å; I795-T797 VanDerWaalsContact C-N 3.29Å; I795-T797 PolarHBondContact O-N 3.43Å; I795-L798 PolarHBondContact O-N 2.98Å; I795-L799 HydrophobicContact CG2-CD1 3.71Å; I795-L799 HydrophobicContact CG2-CG 4.2Å; I795-L799 WeakPolarHBondContact O-CG 3.31Å; I795-L799 PolarHBondContact O-N 2.98Å; I795-I812 HydrophobicContact CD1-CG2 4.06Å; I795-I812 HydrophobicContact CG2-CG2 4.14Å; I795-V815 HydrophobicContact CD1-CB 4.47Å; I795-V815 HydrophobicContact CD1-CG1 4.16Å; I795-V816 HydrophobicContact CD1-CG2 3.4Å; I795-V816 VanDerWaalsContact CD1-CG2 3.4Å; I795-V816 HydrophobicContact CG1-CG2 3.92Å; I795-L863 HydrophobicContact CG2-CD2 4.28Å; I795-Y864 HydrophobicContact CG2-CE1 4.17Å |
| 796 | R | 93.2 | Very high | 94.7 | Very high | 92 Ų | 92 | 45.4 Ų | 45.4 | 35% | 0.347 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.1 | -37.5 | 174.6 | -73 | 178.7 | -176.1 | 155.8 | 1.3 | 112.2 | L792 T794 L798 L799 N800 E851 | L792-R796 WeakPolarHBondContact O-CB 3.24Å; L792-R796 VanDerWaalsContact O-CG 3.29Å; L792-R796 WeakPolarHBondContact O-CG 3.34Å; L792-R796 PolarHBondContact O-N 3.4Å; T794-R796 PolarHBondContact O-N 3.5Å; R796-L798 VanDerWaalsContact C-N 3.33Å; R796-L798 PolarHBondContact O-N 3.12Å; R796-L799 PolarHBondContact O-N 3.11Å; R796-N800 VanDerWaalsContact O-CB 3.25Å; R796-N800 WeakPolarHBondContact O-CB 3.33Å; R796-N800 VanDerWaalsContact O-CG 3.28Å; R796-N800 PolarHBondContact O-N 3.13Å; R796-N800 PolarHBondContact O-ND2 3.5Å; R796-E851 IonicContact CZ-OE1 3.25Å; R796-E851 IonicContact CZ-OE2 2.8Å; R796-E851 IonicContact NE-OE1 3.35Å; R796-E851 PolarHBondContact NE-OE1 3.39Å; R796-E851 IonicContact NH2-OE1 2.66Å; R796-E851 PolarHBondContact NH2-OE1 3.44Å; R796-E851 IonicContact NH2-OE2 3.21Å; R796-E851 PolarHBondContact NH2-OE2 3.36Å |
| 797 | T | 95.6 | Very high | 94.6 | Very high | 62 Ų | 62 | 46.2 Ų | 46.2 | 38% | 0.38 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.2 | -40 | 177.3 | -58 | 0 | 0 | 0 | 0 | 111.5 | L752 P793 T794 I795 A801 L807 | L752-T797 HydrophobicContact CD1-CG2 3.61Å; L752-T797 HydrophobicContact CD2-CG2 4.37Å; P793-T797 WeakPolarHBondContact O-CB 3.46Å; P793-T797 PolarHBondContact O-N 3.12Å; P793-T797 PolarHBondContact O-OG1 3.28Å; T794-T797 WeakPolarHBondContact O-CB 3.27Å; T794-T797 PolarHBondContact O-N 2.95Å; I795-T797 VanDerWaalsContact C-N 3.29Å; I795-T797 PolarHBondContact O-N 3.43Å; T797-A801 PolarHBondContact O-N 3.2Å; T797-L807 HydrophobicContact CG2-CD1 4.39Å |
| 798 | L | 95.7 | Very high | 94.5 | Very high | 9 Ų | 9 | 48.5 Ų | 48.5 | 5% | 0.047 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.3 | -43.3 | 176.8 | -65.6 | 173.5 | 0 | 0 | 0 | 112.5 | L752 T794 I795 R796 N800 A801 L807 V810 I812 V815 | L752-L798 HydrophobicContact CD2-CD1 4.36Å; L752-L798 HydrophobicContact CD2-CD2 3.52Å; L752-L798 HydrophobicContact CD2-CG 3.73Å; T794-L798 PolarHBondContact O-N 3.23Å; T794-L798 VanDerWaalsContact O-N 3.13Å; I795-L798 PolarHBondContact O-N 2.98Å; R796-L798 VanDerWaalsContact C-N 3.33Å; R796-L798 PolarHBondContact O-N 3.12Å; L798-N800 VanDerWaalsContact C-N 3.3Å; L798-N800 PolarHBondContact O-N 3.01Å; L798-A801 WeakPolarHBondContact O-CB 3.4Å; L798-A801 PolarHBondContact O-N 2.88Å; L798-L807 HydrophobicContact CD2-CB 4.16Å; L798-L807 HydrophobicContact CD2-CD2 4.29Å; L798-V810 HydrophobicContact CD1-CG1 4.38Å; L798-V810 HydrophobicContact CD2-CB 4.15Å; L798-V810 HydrophobicContact CD2-CG1 4.2Å; L798-V810 HydrophobicContact CD2-CG2 4.47Å; L798-I812 HydrophobicContact CB-CD1 4.09Å; L798-I812 HydrophobicContact CB-CG1 4.03Å; L798-I812 HydrophobicContact CD1-CG1 4.38Å; L798-I812 HydrophobicContact CD1-CG2 4.5Å; L798-V815 HydrophobicContact CD1-CB 4.07Å; L798-V815 HydrophobicContact CD1-CG1 4.07Å; L798-V815 HydrophobicContact CD1-CG2 3.77Å |
| 799 | L | 92.2 | Very high | 94.3 | Very high | 58 Ų | 58 | 56 Ų | 56 | 30% | 0.304 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.3 | -34.3 | 179 | -70.7 | 168 | 0 | 0 | 0 | 112.6 | I795 R796 I812 E860 | I795-L799 HydrophobicContact CG2-CD1 3.71Å; I795-L799 HydrophobicContact CG2-CG 4.2Å; I795-L799 WeakPolarHBondContact O-CG 3.31Å; I795-L799 PolarHBondContact O-N 2.98Å; R796-L799 PolarHBondContact O-N 3.11Å; L799-I812 HydrophobicContact CD2-CD1 3.51Å; L799-I812 HydrophobicContact CG-CD1 3.98Å; L799-E860 HydrophobicContact CD1-CB 3.55Å; L799-E860 HydrophobicContact CD1-CG 3.88Å; L799-E860 HydrophobicContact CD2-CB 4.38Å |
| 800 | N | 93.8 | Very high | 94.3 | Very high | 132 Ų | 132 | 52.6 Ų | 52.6 | 71% | 0.706 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 3.1 | 179.5 | -66 | -36.9 | 0 | 0 | 0 | 113.5 | R796 L798 | R796-N800 VanDerWaalsContact O-CB 3.25Å; R796-N800 WeakPolarHBondContact O-CB 3.33Å; R796-N800 VanDerWaalsContact O-CG 3.28Å; R796-N800 PolarHBondContact O-N 3.13Å; R796-N800 PolarHBondContact O-ND2 3.5Å; L798-N800 VanDerWaalsContact C-N 3.3Å; L798-N800 PolarHBondContact O-N 3.01Å |
| 801 | A | 94.3 | Very high | 94.2 | Very high | 21 Ų | 21 | 56.6 Ų | 56.6 | 17% | 0.174 | 34% | 0.335 | C | S | . | . | trans | -67.1 | 124.8 | 180 | 0 | 0 | 0 | 0 | 0 | 110.3 | T797 L798 L807 | T797-A801 PolarHBondContact O-N 3.2Å; L798-A801 WeakPolarHBondContact O-CB 3.4Å; L798-A801 PolarHBondContact O-N 2.88Å; A801-L807 HydrophobicContact CB-CB 3.92Å | ||
| 802 | P | 94.6 | Very high | 94.1 | Very high | 78 Ų | 78 | 58.1 Ų | 58.1 | 51% | 0.506 | 34% | 0.343 | S | S | . | . | trans | -67.4 | 156.7 | 176.3 | 29 | -34.6 | 0 | 0 | 0 | 110.4 | T804 S805 | P802-T804 PolarHBondContact O-N 3.18Å; P802-S805 VanDerWaalsContact O-CB 3.31Å; P802-S805 WeakPolarHBondContact O-CB 3.37Å; P802-S805 PolarHBondContact O-N 3.37Å | ||
| 803 | A | 92 | Very high | 94.1 | Very high | 103 Ų | 103 | 60.3 Ų | 60.3 | 85% | 0.851 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -17.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 804 | T | 93.6 | Very high | 94.1 | Very high | 134 Ų | 134 | 61.1 Ų | 61.1 | 82% | 0.822 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -16.7 | 173.3 | 53.7 | 0 | 0 | 0 | 0 | 113.3 | P802 | P802-T804 PolarHBondContact O-N 3.18Š|
| 805 | S | 93.9 | Very high | 94.1 | Very high | 31 Ų | 31 | 61.2 Ų | 61.2 | 22% | 0.217 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -83.8 | 135.7 | 178.6 | 179 | 0 | 0 | 0 | 0 | 110.5 | P802 L807 A808 | P802-S805 VanDerWaalsContact O-CB 3.31Å; P802-S805 WeakPolarHBondContact O-CB 3.37Å; P802-S805 PolarHBondContact O-N 3.37Å; S805-L807 PolarHBondContact O-N 3.06Å; S805-L807 VanDerWaalsContact O-N 3.08Å; S805-L807 PolarHBondContact OG-N 2.73Å; S805-A808 WeakPolarHBondContact O-CB 3.33Å; S805-A808 PolarHBondContact O-N 3.48Å |
| 806 | P | 92.8 | Very high | 94.1 | Very high | 49 Ų | 49 | 61.3 Ų | 61.3 | 32% | 0.318 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -55.6 | -25.5 | 172.1 | -25.8 | 34.7 | 0 | 0 | 0 | 113.7 | N756 P757 V758 A808 E809 | N756-P806 WeakPolarHBondContact OD1-CB 3.46Å; P757-P806 WeakPolarHBondContact CD-O 3.31Å; P757-P806 HydrophobicContact CG-CB 4.29Å; P757-P806 WeakPolarHBondContact CG-O 3.34Å; V758-P806 HydrophobicContact CG2-CB 4.05Å; V758-P806 HydrophobicContact CG2-CG 3.73Å; P806-A808 PolarHBondContact O-N 3.44Å; P806-E809 PolarHBondContact O-N 3.33Å |
| 807 | L | 94.5 | Very high | 94.2 | Very high | 25 Ų | 25 | 62.2 Ų | 62.2 | 13% | 0.131 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -65.5 | -20.2 | 178.5 | -64.9 | 178.9 | 0 | 0 | 0 | 113.4 | L752 N756 T797 L798 A801 S805 E809 V810 | L752-L807 HydrophobicContact CD2-CD1 4.45Å; L752-L807 HydrophobicContact CD2-CD2 4.49Å; N756-L807 HydrophobicContact CB-CD2 4.04Å; T797-L807 HydrophobicContact CG2-CD1 4.39Å; L798-L807 HydrophobicContact CD2-CB 4.16Å; L798-L807 HydrophobicContact CD2-CD2 4.29Å; A801-L807 HydrophobicContact CB-CB 3.92Å; S805-L807 PolarHBondContact O-N 3.06Å; S805-L807 VanDerWaalsContact O-N 3.08Å; S805-L807 PolarHBondContact OG-N 2.73Å; L807-E809 PolarHBondContact O-N 3.31Å; L807-V810 HydrophobicContact CD2-CG2 4.37Å; L807-V810 WeakPolarHBondContact O-CB 3.44Å; L807-V810 PolarHBondContact O-N 3.27Å |
| 808 | A | 93.3 | Very high | 94.2 | Very high | 51 Ų | 51 | 60.2 Ų | 60.2 | 42% | 0.421 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -68.6 | -18.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S805 P806 V810 | S805-A808 WeakPolarHBondContact O-CB 3.33Å; S805-A808 PolarHBondContact O-N 3.48Å; P806-A808 PolarHBondContact O-N 3.44Å; A808-V810 VanDerWaalsContact C-N 3.33Å |
| 809 | E | 92.4 | Very high | 94.2 | Very high | 164 Ų | 164 | 59.9 Ų | 59.9 | 77% | 0.766 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -82.2 | -11.6 | 176.1 | -58.7 | -167.8 | -177.6 | 0 | 0 | 113.2 | P757 P806 L807 | P757-E809 HydrophobicContact CG-CB 4.16Å; P806-E809 PolarHBondContact O-N 3.33Å; L807-E809 PolarHBondContact O-N 3.31Å |
| 810 | V | 95.3 | Very high | 94.4 | Very high | 18 Ų | 18 | 57.3 Ų | 57.3 | 11% | 0.109 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -73.5 | 129.9 | -175.1 | 178 | 0 | 0 | 0 | 0 | 110.8 | Y755 L798 L807 A808 I812 V815 | Y755-V810 HydrophobicContact CD1-CG1 4.01Å; Y755-V810 HydrophobicContact CG-CG1 4.17Å; Y755-V810 WeakPolarHBondContact O-CG2 3.43Å; L798-V810 HydrophobicContact CD1-CG1 4.38Å; L798-V810 HydrophobicContact CD2-CB 4.15Å; L798-V810 HydrophobicContact CD2-CG1 4.2Å; L798-V810 HydrophobicContact CD2-CG2 4.47Å; L807-V810 HydrophobicContact CD2-CG2 4.37Å; L807-V810 WeakPolarHBondContact O-CB 3.44Å; L807-V810 PolarHBondContact O-N 3.27Å; A808-V810 VanDerWaalsContact C-N 3.33Å; V810-I812 PolarHBondContact O-N 3.05Å; V810-I812 VanDerWaalsContact O-N 3.12Å; V810-V815 HydrophobicContact CG1-CG2 3.77Å |
| 811 | D | 94 | Very high | 94.4 | Very high | 84 Ų | 84 | 54.9 Ų | 54.9 | 45% | 0.449 | 32% | 0.321 | S | S | . | . | trans | -75.2 | 102 | 171.5 | -172.8 | -9.6 | 0 | 0 | 0 | 110.5 | N813 N814 | D811-N813 PolarHBondContact O-N 3.34Å; D811-N813 VanDerWaalsContact O-N 3.11Å; D811-N813 WeakPolarHBondContact OD1-CB 3.46Å; D811-N813 PolarHBondContact OD1-N 3.45Å; D811-N813 PolarHBondContact OD1-ND2 2.99Å; D811-N814 WeakPolarHBondContact O-CB 3.12Å; D811-N814 PolarHBondContact O-N 2.89Å; D811-N814 PolarHBondContact OD2-ND2 3.41Å | ||
| 812 | I | 94.3 | Very high | 94.5 | Very high | 34 Ų | 34 | 54.1 Ų | 54.1 | 17% | 0.174 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -55.8 | -30.7 | -178.8 | -52.8 | -179.9 | 0 | 0 | 0 | 111.8 | I795 L798 L799 V810 N814 V815 V816 L863 | I795-I812 HydrophobicContact CD1-CG2 4.06Å; I795-I812 HydrophobicContact CG2-CG2 4.14Å; L798-I812 HydrophobicContact CB-CD1 4.09Å; L798-I812 HydrophobicContact CB-CG1 4.03Å; L798-I812 HydrophobicContact CD1-CG1 4.38Å; L798-I812 HydrophobicContact CD1-CG2 4.5Å; L799-I812 HydrophobicContact CD2-CD1 3.51Å; L799-I812 HydrophobicContact CG-CD1 3.98Å; V810-I812 PolarHBondContact O-N 3.05Å; V810-I812 VanDerWaalsContact O-N 3.12Å; I812-N814 VanDerWaalsContact C-N 3.27Å; I812-N814 PolarHBondContact O-N 3.34Å; I812-V815 PolarHBondContact O-N 3.32Å; I812-V816 HydrophobicContact CG2-CG2 4.36Å; I812-V816 WeakPolarHBondContact O-CG2 3.3Å; I812-V816 PolarHBondContact O-N 2.7Å; I812-L863 HydrophobicContact CG2-CD2 3.64Å |
| 813 | N | 93.8 | Very high | 94.5 | Very high | 64 Ų | 64 | 50.5 Ų | 50.5 | 34% | 0.342 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.8 | -36.1 | 178.3 | -60.4 | -79.3 | 0 | 0 | 0 | 111.7 | D811 V816 E817 L863 | D811-N813 PolarHBondContact O-N 3.34Å; D811-N813 VanDerWaalsContact O-N 3.11Å; D811-N813 WeakPolarHBondContact OD1-CB 3.46Å; D811-N813 PolarHBondContact OD1-N 3.45Å; D811-N813 PolarHBondContact OD1-ND2 2.99Å; N813-V816 PolarHBondContact O-N 2.72Å; N813-E817 WeakPolarHBondContact O-CB 3.42Å; N813-E817 VanDerWaalsContact O-CG 3.24Å; N813-E817 WeakPolarHBondContact O-CG 3.28Å; N813-E817 PolarHBondContact O-N 2.98Å; N813-L863 WeakPolarHBondContact OD1-CD1 3.2Å |
| 814 | N | 94.6 | Very high | 94.5 | Very high | 75 Ų | 75 | 48.8 Ų | 48.8 | 40% | 0.401 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -70.1 | -38.5 | -178.7 | -70.6 | -134.6 | 0 | 0 | 0 | 110.1 | Y755 D811 I812 E817 L818 | Y755-N814 HydrophobicContact CE1-CB 4Å; Y755-N814 PolarHBondContact OH-O 3.47Å; D811-N814 WeakPolarHBondContact O-CB 3.12Å; D811-N814 PolarHBondContact O-N 2.89Å; D811-N814 PolarHBondContact OD2-ND2 3.41Å; I812-N814 VanDerWaalsContact C-N 3.27Å; I812-N814 PolarHBondContact O-N 3.34Å; N814-E817 PolarHBondContact O-N 3.35Å; N814-L818 WeakPolarHBondContact O-CB 3.44Å; N814-L818 PolarHBondContact O-N 3.4Å |
| 815 | V | 96.4 | Very high | 94.1 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.6 | -44.4 | 176.4 | -174.5 | 0 | 0 | 0 | 0 | 110.8 | V751 Y755 T794 I795 L798 V810 I812 L818 L819 | V751-V815 HydrophobicContact CG1-CG1 3.95Å; Y755-V815 HydrophobicContact CD1-CG2 3.89Å; Y755-V815 HydrophobicContact CD2-CG2 3.74Å; Y755-V815 HydrophobicContact CE1-CG2 3.94Å; Y755-V815 HydrophobicContact CE2-CB 4.33Å; Y755-V815 HydrophobicContact CE2-CG1 4.44Å; Y755-V815 HydrophobicContact CE2-CG2 3.77Å; Y755-V815 HydrophobicContact CG-CG2 3.79Å; T794-V815 HydrophobicContact CG2-CG1 3.98Å; I795-V815 HydrophobicContact CD1-CB 4.47Å; I795-V815 HydrophobicContact CD1-CG1 4.16Å; L798-V815 HydrophobicContact CD1-CB 4.07Å; L798-V815 HydrophobicContact CD1-CG1 4.07Å; L798-V815 HydrophobicContact CD1-CG2 3.77Å; V810-V815 HydrophobicContact CG1-CG2 3.77Å; I812-V815 PolarHBondContact O-N 3.32Å; V815-L818 PolarHBondContact O-N 3.37Å; V815-L819 HydrophobicContact CG1-CD1 4.23Å; V815-L819 WeakPolarHBondContact O-CG 3.39Å; V815-L819 PolarHBondContact O-N 3.47Å |
| 816 | V | 95.5 | Very high | 93.8 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.8 | -46.8 | 175.5 | 170.2 | 0 | 0 | 0 | 0 | 111.4 | F791 I795 I812 N813 L818 L819 V820 L863 T867 | F791-V816 HydrophobicContact CE2-CG1 4.1Å; F791-V816 HydrophobicContact CE2-CG2 4.41Å; F791-V816 HydrophobicContact CZ-CG1 4.1Å; F791-V816 HydrophobicContact CZ-CG2 4.27Å; I795-V816 HydrophobicContact CD1-CG2 3.4Å; I795-V816 VanDerWaalsContact CD1-CG2 3.4Å; I795-V816 HydrophobicContact CG1-CG2 3.92Å; I812-V816 HydrophobicContact CG2-CG2 4.36Å; I812-V816 WeakPolarHBondContact O-CG2 3.3Å; I812-V816 PolarHBondContact O-N 2.7Å; N813-V816 PolarHBondContact O-N 2.72Å; V816-L818 VanDerWaalsContact C-N 3.29Å; V816-L818 PolarHBondContact O-N 2.98Å; V816-L819 PolarHBondContact O-N 3.28Å; V816-V820 HydrophobicContact CG1-CG2 4.34Å; V816-V820 WeakPolarHBondContact O-CB 3.44Å; V816-V820 WeakPolarHBondContact O-CG2 3.49Å; V816-V820 PolarHBondContact O-N 3.38Å; V816-L863 HydrophobicContact CB-CD1 4.41Å; V816-L863 HydrophobicContact CG1-CD1 4.49Å; V816-L863 HydrophobicContact CG2-CD1 4.11Å; V816-L863 HydrophobicContact CG2-CD2 3.94Å; V816-L863 HydrophobicContact CG2-CG 4.21Å; V816-T867 HydrophobicContact CG1-CG2 3.42Å; V816-T867 VanDerWaalsContact CG1-CG2 3.42Å; V816-T867 WeakPolarHBondContact CG1-OG1 3.45Å |
| 817 | E | 94.9 | Very high | 93.4 | Very high | 110 Ų | 110 | 45.2 Ų | 45.2 | 51% | 0.514 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.3 | -41.1 | 177.3 | -76.7 | 175 | -172.6 | 0 | 0 | 111.5 | N813 N814 E821 | N813-E817 WeakPolarHBondContact O-CB 3.42Å; N813-E817 VanDerWaalsContact O-CG 3.24Å; N813-E817 WeakPolarHBondContact O-CG 3.28Å; N813-E817 PolarHBondContact O-N 2.98Å; N814-E817 PolarHBondContact O-N 3.35Å; E817-E821 WeakPolarHBondContact O-CB 3.42Å; E817-E821 PolarHBondContact O-N 2.92Å |
| 818 | L | 95.9 | Very high | 93.1 | Very high | 21 Ų | 21 | 45.3 Ų | 45.3 | 11% | 0.11 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.2 | -55.1 | 173.3 | 174.6 | 72.6 | 0 | 0 | 0 | 111.6 | W754 Y755 N814 V815 V816 V820 E821 L822 | W754-L818 HydrophobicContact CE3-CD2 4.08Å; W754-L818 HydrophobicContact CZ3-CD2 3.75Å; Y755-L818 HydrophobicContact CE2-CD2 3.77Å; N814-L818 WeakPolarHBondContact O-CB 3.44Å; N814-L818 PolarHBondContact O-N 3.4Å; V815-L818 PolarHBondContact O-N 3.37Å; V816-L818 VanDerWaalsContact C-N 3.29Å; V816-L818 PolarHBondContact O-N 2.98Å; L818-V820 VanDerWaalsContact C-N 3.29Å; L818-V820 PolarHBondContact O-N 2.98Å; L818-E821 WeakPolarHBondContact O-CB 3.49Å; L818-E821 PolarHBondContact O-N 3.06Å; L818-E821 VanDerWaalsContact O-N 3.09Å; L818-L822 HydrophobicContact CD1-CD1 3.93Å; L818-L822 HydrophobicContact CD1-CD2 4.45Å; L818-L822 HydrophobicContact CD1-CG 4.04Å; L818-L822 HydrophobicContact CD2-CD1 4.31Å; L818-L822 HydrophobicContact CG-CD1 3.81Å; L818-L822 HydrophobicContact CG-CG 4.25Å; L818-L822 VanDerWaalsContact O-CG 3.29Å; L818-L822 WeakPolarHBondContact O-CG 3.43Å; L818-L822 PolarHBondContact O-N 2.63Å |
| 819 | L | 96.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.8 | -40.4 | -174 | -68.7 | 174.7 | 0 | 0 | 0 | 111.2 | V751 V787 F791 V815 V816 L822 T823 | V751-L819 HydrophobicContact CG2-CD2 4.35Å; V787-L819 HydrophobicContact CG1-CD2 3.83Å; F791-L819 HydrophobicContact CD2-CB 3.9Å; F791-L819 HydrophobicContact CD2-CD1 3.93Å; F791-L819 HydrophobicContact CE2-CB 4.36Å; V815-L819 HydrophobicContact CG1-CD1 4.23Å; V815-L819 WeakPolarHBondContact O-CG 3.39Å; V815-L819 PolarHBondContact O-N 3.47Å; V816-L819 PolarHBondContact O-N 3.28Å; L819-L822 PolarHBondContact O-N 3.11Å; L819-T823 WeakPolarHBondContact O-CG2 3.41Å; L819-T823 PolarHBondContact O-N 3.05Å; L819-T823 PolarHBondContact O-OG1 2.65Å; L819-T823 VanDerWaalsContact O-OG1 3.05Å |
| 820 | V | 95.4 | Very high | 92.3 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.024 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 173.6 | 171.1 | 0 | 0 | 0 | 0 | 111.7 | F791 V816 L818 L822 T823 R824 H841 L844 T867 L871 | F791-V820 HydrophobicContact CE2-CG2 4.27Å; V816-V820 HydrophobicContact CG1-CG2 4.34Å; V816-V820 WeakPolarHBondContact O-CB 3.44Å; V816-V820 WeakPolarHBondContact O-CG2 3.49Å; V816-V820 PolarHBondContact O-N 3.38Å; L818-V820 VanDerWaalsContact C-N 3.29Å; L818-V820 PolarHBondContact O-N 2.98Å; V820-L822 VanDerWaalsContact C-N 3.32Å; V820-L822 PolarHBondContact O-N 3.26Å; V820-T823 WeakPolarHBondContact CA-OG1 3.42Å; V820-T823 PolarHBondContact O-N 3.43Å; V820-T823 PolarHBondContact O-OG1 3.09Å; V820-R824 PolarHBondContact O-N 2.97Å; V820-H841 PolarHBondContact O-NE2 3.47Å; V820-H841 VanDerWaalsContact O-NE2 3.12Å; V820-L844 HydrophobicContact CG2-CD2 4.21Å; V820-T867 HydrophobicContact CG2-CG2 3.61Å; V820-L871 HydrophobicContact CG1-CD2 3.79Å; V820-L871 HydrophobicContact CG2-CD2 4.06Å |
| 821 | E | 94.9 | Very high | 91.4 | Very high | 80 Ų | 80 | 52.2 Ų | 52.2 | 37% | 0.374 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.2 | -41 | 176.7 | -172.6 | 66 | -150.3 | 0 | 0 | 111.7 | E817 L818 T823 R824 | E817-E821 WeakPolarHBondContact O-CB 3.42Å; E817-E821 PolarHBondContact O-N 2.92Å; L818-E821 WeakPolarHBondContact O-CB 3.49Å; L818-E821 PolarHBondContact O-N 3.06Å; L818-E821 VanDerWaalsContact O-N 3.09Å; E821-T823 VanDerWaalsContact C-N 3.35Å; E821-T823 PolarHBondContact O-N 3.23Å; E821-R824 VanDerWaalsContact CD-NH1 3.32Å; E821-R824 PolarHBondContact O-N 2.91Å; E821-R824 IonicContact OE1-NH1 2.83Å; E821-R824 PolarHBondContact OE1-NH1 3.47Å; E821-R824 IonicContact OE2-CZ 2.63Å; E821-R824 IonicContact OE2-NE 3.28Å; E821-R824 IonicContact OE2-NH1 3.56Å; E821-R824 PolarHBondContact OE2-NH1 3.46Å; E821-R824 IonicContact OE2-NH2 3.49Å; E821-R824 PolarHBondContact OE2-NH2 3.32Å |
| 822 | L | 95.3 | Very high | 90.1 | Very high | 6 Ų | 6 | 51.5 Ų | 51.5 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.6 | -31.7 | 179.9 | -67.2 | 176.9 | 0 | 0 | 0 | 112.6 | F773 Q774 A777 Q784 V787 L818 L819 V820 R824 | F773-L822 HydrophobicContact CB-CD1 3.85Å; F773-L822 HydrophobicContact CB-CD2 4.31Å; F773-L822 HydrophobicContact CG-CD1 4.5Å; F773-L822 WeakPolarHBondContact O-CD2 3.41Å; Q774-L822 HydrophobicContact CG-CD2 4.47Å; A777-L822 HydrophobicContact CB-CB 3.81Å; A777-L822 HydrophobicContact CB-CD2 4Å; A777-L822 HydrophobicContact CB-CG 4.42Å; A777-L822 WeakPolarHBondContact CB-O 3.37Å; Q784-L822 PolarHBondContact NE2-O 3.16Å; V787-L822 HydrophobicContact CG1-CB 4.03Å; V787-L822 HydrophobicContact CG1-CD1 4.47Å; L818-L822 HydrophobicContact CD1-CD1 3.93Å; L818-L822 HydrophobicContact CD1-CD2 4.45Å; L818-L822 HydrophobicContact CD1-CG 4.04Å; L818-L822 HydrophobicContact CD2-CD1 4.31Å; L818-L822 HydrophobicContact CG-CD1 3.81Å; L818-L822 HydrophobicContact CG-CG 4.25Å; L818-L822 VanDerWaalsContact O-CG 3.29Å; L818-L822 WeakPolarHBondContact O-CG 3.43Å; L818-L822 PolarHBondContact O-N 2.63Å; L819-L822 PolarHBondContact O-N 3.11Å; V820-L822 VanDerWaalsContact C-N 3.32Å; V820-L822 PolarHBondContact O-N 3.26Å; L822-R824 VanDerWaalsContact C-N 3.32Å |
| 823 | T | 94.6 | Very high | 88.6 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.012 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 1.8 | 179.4 | 53.4 | 0 | 0 | 0 | 0 | 114.3 | V787 E788 L819 V820 E821 V840 H841 | V787-T823 HydrophobicContact CB-CG2 3.93Å; V787-T823 HydrophobicContact CG1-CG2 3.67Å; E788-T823 HydrophobicContact CB-CG2 4.04Å; L819-T823 WeakPolarHBondContact O-CG2 3.41Å; L819-T823 PolarHBondContact O-N 3.05Å; L819-T823 PolarHBondContact O-OG1 2.65Å; L819-T823 VanDerWaalsContact O-OG1 3.05Å; V820-T823 WeakPolarHBondContact CA-OG1 3.42Å; V820-T823 PolarHBondContact O-N 3.43Å; V820-T823 PolarHBondContact O-OG1 3.09Å; E821-T823 VanDerWaalsContact C-N 3.35Å; E821-T823 PolarHBondContact O-N 3.23Å; T823-V840 HydrophobicContact CG2-CG1 4.07Å; T823-H841 VanDerWaalsContact C-NE2 3.32Å; T823-H841 PolarHBondContact O-CD2 3.37Å; T823-H841 VanDerWaalsContact O-CD2 3.31Å; T823-H841 PolarHBondContact O-NE2 3.32Å; T823-H841 PolarHBondContact OG1-CD2 3.16Å; T823-H841 PolarHBondContact OG1-NE2 3.05Å |
| 824 | R | 91.9 | Very high | 87.3 | Confident | 66 Ų | 66 | 55.4 Ų | 55.4 | 25% | 0.249 | 32% | 0.315 | C | S | . | . | trans | -63.6 | 124.8 | 179.9 | -84.1 | 179.2 | -178.7 | 169.2 | 9.9 | 111.9 | Q784 V820 E821 L822 S826 G827 H841 E872 | Q784-R824 PolarHBondContact NE2-O 3.38Å; V820-R824 PolarHBondContact O-N 2.97Å; E821-R824 VanDerWaalsContact CD-NH1 3.32Å; E821-R824 PolarHBondContact O-N 2.91Å; E821-R824 IonicContact OE1-NH1 2.83Å; E821-R824 PolarHBondContact OE1-NH1 3.47Å; E821-R824 IonicContact OE2-CZ 2.63Å; E821-R824 IonicContact OE2-NE 3.28Å; E821-R824 IonicContact OE2-NH1 3.56Å; E821-R824 PolarHBondContact OE2-NH1 3.46Å; E821-R824 IonicContact OE2-NH2 3.49Å; E821-R824 PolarHBondContact OE2-NH2 3.32Å; L822-R824 VanDerWaalsContact C-N 3.32Å; R824-S826 PolarHBondContact O-N 3.06Å; R824-G827 PolarHBondContact O-N 3.5Å; R824-H841 VanDerWaalsContact CG-CE1 3.43Å; R824-H841 WeakPolarHBondContact CG-CE1 3.49Å; R824-H841 PolarHBondContact N-NE2 3.16Å; R824-E872 IonicContact NE-OE1 3.18Å | ||
| 825 | P | 86.6 | Confident | 85.6 | Confident | 34 Ų | 34 | 56.5 Ų | 56.5 | 22% | 0.221 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -62.5 | -31.6 | 175.6 | 25.3 | -33 | 0 | 0 | 0 | 111.9 | G827 L828 C839 E872 | P825-G827 PolarHBondContact O-N 3.4Å; P825-L828 PolarHBondContact O-N 3.37Å; P825-C839 HydrophobicContact CB-CB 4.21Å; P825-C839 HydrophobicContact CG-CB 4.12Å; P825-E872 WeakPolarHBondContact CD-OE2 3.48Å; P825-E872 HydrophobicContact CG-CB 4.19Å; P825-E872 WeakPolarHBondContact CG-OE2 3.44Å |
| 826 | S | 86.9 | Confident | 84 | Confident | 79 Ų | 79 | 62.9 Ų | 62.9 | 55% | 0.552 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -65.9 | -16.7 | 174.8 | 64 | 0 | 0 | 0 | 0 | 114.4 | R824 E872 | R824-S826 PolarHBondContact O-N 3.06Å; S826-E872 VanDerWaalsContact CB-OE2 3.28Å; S826-E872 WeakPolarHBondContact CB-OE2 3.28Å; S826-E872 PolarHBondContact N-OE2 2.92Å; S826-E872 VanDerWaalsContact OG-CD 3.27Å; S826-E872 PolarHBondContact OG-OE1 3.41Å; S826-E872 PolarHBondContact OG-OE2 3.12Å |
| 827 | G | 85.6 | Confident | 83 | Confident | 27 Ų | 27 | 67.5 Ų | 67.5 | 28% | 0.278 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -81.9 | -14.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | R778 R824 P825 | R778-G827 WeakPolarHBondContact CB-O 3.28Å; R778-G827 WeakPolarHBondContact CG-O 3.45Å; R824-G827 PolarHBondContact O-N 3.5Å; P825-G827 PolarHBondContact O-N 3.4Å |
| 828 | L | 88.2 | Confident | 82.3 | Confident | 26 Ų | 26 | 63.4 Ų | 63.4 | 14% | 0.136 | 36% | 0.358 | C | S | . | . | trans | -63.7 | 140.5 | -178 | -71.4 | 171.4 | 0 | 0 | 0 | 111.9 | Q784 P825 K830 | Q784-L828 HydrophobicContact CG-CD2 4.16Å; P825-L828 PolarHBondContact O-N 3.37Å; L828-K830 VanDerWaalsContact C-N 3.25Å; L828-K830 PolarHBondContact O-N 2.84Å | ||
| 829 | I | 87.6 | Confident | 81.8 | Confident | 110 Ų | 110 | 63.1 Ų | 63.1 | 56% | 0.564 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -63.6 | -36.5 | 175.6 | -65.4 | 167.4 | 0 | 0 | 0 | 110.6 | R778 | R778-I829 HydrophobicContact CB-CD1 4.43Å; R778-I829 HydrophobicContact CB-CG1 4.14Å; R778-I829 PolarHBondContact O-N 3.49Å |
| 830 | K | 81 | Confident | 81.5 | Confident | 184 Ų | 184 | 63.1 Ų | 63.1 | 80% | 0.8 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -122.3 | 84.9 | 174.7 | -66.7 | 177.5 | -175.8 | 169.6 | 0 | 108.8 | L828 | L828-K830 VanDerWaalsContact C-N 3.25Å; L828-K830 PolarHBondContact O-N 2.84Å |
| 831 | P | 74.8 | Confident | 81.4 | Confident | 85 Ų | 85 | 62.9 Ų | 62.9 | 55% | 0.552 | 36% | 0.357 | S | S | * | . | trans | -65.9 | 146.6 | 177.8 | 27.1 | -32.4 | 0 | 0 | 0 | 110.5 | A833 | P831-A833 PolarHBondContact O-N 3.19Š| ||
| 832 | S | 67.9 | Low | 81.2 | Confident | 69 Ų | 69 | 59.2 Ų | 59.2 | 48% | 0.483 | 34% | 0.34 | S | S | . | . | trans | -59.7 | 135.8 | 170.1 | -177.8 | 0 | 0 | 0 | 0 | 109 | N834 E837 | S832-N834 PolarHBondContact O-N 3.18Å; S832-N834 PolarHBondContact OG-N 3.49Å; S832-E837 PolarHBondContact OG-OE2 3.38Å | ||
| 833 | A | 62.7 | Low | 81 | Confident | 110 Ų | 110 | 63.8 Ų | 63.8 | 91% | 0.909 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -72.1 | -13.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | P831 | P831-A833 PolarHBondContact O-N 3.19Š|
| 834 | N | 65.4 | Low | 80.9 | Confident | 69 Ų | 69 | 63.7 Ų | 63.7 | 37% | 0.369 | 36% | 0.356 | S | S | . | . | trans | -101.2 | 100 | -175.4 | -165.8 | 6.3 | 0 | 0 | 0 | 111.1 | S832 E836 E837 | S832-N834 PolarHBondContact O-N 3.18Å; S832-N834 PolarHBondContact OG-N 3.49Å; N834-E836 PolarHBondContact O-N 2.88Å; N834-E836 WeakPolarHBondContact OD1-CB 3.25Å; N834-E836 PolarHBondContact OD1-N 3.2Å; N834-E837 HydrophobicContact CB-CG 4.06Å; N834-E837 PolarHBondContact ND2-OE1 3.27Å; N834-E837 PolarHBondContact O-N 3.43Å | ||
| 835 | T | 60.7 | Low | 81 | Confident | 98 Ų | 98 | 60.5 Ų | 60.5 | 60% | 0.601 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -2.3 | 176.5 | 46 | 0 | 0 | 0 | 0 | 114.1 | ||
| 836 | E | 61.4 | Low | 81.2 | Confident | 136 Ų | 136 | 61.5 Ų | 61.5 | 64% | 0.636 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -6.4 | 177.3 | -58.6 | -177.8 | 171.5 | 0 | 0 | 113.1 | N834 E876 | N834-E836 PolarHBondContact O-N 2.88Å; N834-E836 WeakPolarHBondContact OD1-CB 3.25Å; N834-E836 PolarHBondContact OD1-N 3.2Å; E836-E876 WeakPolarHBondContact O-CB 3.36Å |
| 837 | E | 74.6 | Confident | 81.4 | Confident | 99 Ų | 99 | 62.5 Ų | 62.5 | 46% | 0.463 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -80.6 | 138.6 | 176.9 | -72.6 | 169.4 | -177.5 | 0 | 0 | 112.1 | S832 N834 C839 S874 | S832-E837 PolarHBondContact OG-OE2 3.38Å; N834-E837 HydrophobicContact CB-CG 4.06Å; N834-E837 PolarHBondContact ND2-OE1 3.27Å; N834-E837 PolarHBondContact O-N 3.43Å; E837-C839 PolarHBondContact O-N 3Å; E837-C839 VanDerWaalsContact O-N 3.16Å; E837-S874 WeakPolarHBondContact O-CB 3.39Å |
| 838 | V | 80 | Confident | 81.7 | Confident | 24 Ų | 24 | 61.2 Ų | 61.2 | 15% | 0.145 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -47 | 121.9 | 168.8 | -167.3 | 0 | 0 | 0 | 0 | 110.8 | R781 D842 Y843 E876 V879 | R781-V838 PolarHBondContact NH2-O 2.82Å; V838-D842 HydrophobicContact CG1-CB 3.86Å; V838-Y843 HydrophobicContact CB-CE2 4.49Å; V838-Y843 HydrophobicContact CG1-CD2 4.33Å; V838-Y843 HydrophobicContact CG1-CE1 4.07Å; V838-Y843 HydrophobicContact CG1-CE2 3.72Å; V838-E876 WeakPolarHBondContact CG2-OE2 3.48Å; V838-E876 PolarHBondContact N-OE2 3.26Å; V838-V879 HydrophobicContact CG1-CG2 4.34Å; V838-V879 HydrophobicContact CG2-CG2 3.85Å |
| 839 | C | 86 | Confident | 82 | Confident | 15 Ų | 15 | 60 Ų | 60 | 10% | 0.101 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -97.6 | 163.9 | 176.3 | 76.4 | 0 | 0 | 0 | 0 | 111.3 | P825 E837 H841 D842 E872 | P825-C839 HydrophobicContact CB-CB 4.21Å; P825-C839 HydrophobicContact CG-CB 4.12Å; E837-C839 PolarHBondContact O-N 3Å; E837-C839 VanDerWaalsContact O-N 3.16Å; C839-H841 PolarHBondContact O-N 3.31Å; C839-D842 PolarHBondContact N-OD2 2.93Å; C839-D842 WeakPolarHBondContact O-CB 3.34Å; C839-D842 PolarHBondContact O-N 3.27Å; C839-D842 VanDerWaalsContact SG-CG 3.5Å; C839-D842 PolarHBondContact SG-OD2 3.41Å; C839-E872 PolarHBondContact SG-O 3.05Å |
| 840 | V | 90.2 | Very high | 82.2 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.8 | -33.9 | -177.2 | 177.7 | 0 | 0 | 0 | 0 | 112.2 | R781 Q784 E785 E788 T823 D842 Y843 L844 | R781-V840 HydrophobicContact CG-CG2 4.1Å; Q784-V840 HydrophobicContact CB-CB 4.4Å; Q784-V840 HydrophobicContact CB-CG1 4.26Å; Q784-V840 HydrophobicContact CB-CG2 3.85Å; E785-V840 HydrophobicContact CG-CG2 4.06Å; E788-V840 HydrophobicContact CB-CG1 3.42Å; E788-V840 VanDerWaalsContact CB-CG1 3.42Å; E788-V840 HydrophobicContact CG-CG1 3.71Å; T823-V840 HydrophobicContact CG2-CG1 4.07Å; V840-D842 VanDerWaalsContact C-N 3.26Å; V840-D842 PolarHBondContact O-N 3.46Å; V840-Y843 PolarHBondContact O-N 3.37Å; V840-L844 PolarHBondContact O-N 2.91Å; V840-L844 VanDerWaalsContact O-N 3.11Å |
| 841 | H | 93.1 | Very high | 82.7 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.2 | -24.9 | 176.6 | -80.3 | -176.4 | 0 | 0 | 0 | 114.5 | V820 T823 R824 C839 L844 A845 L871 E872 | V820-H841 PolarHBondContact O-NE2 3.47Å; V820-H841 VanDerWaalsContact O-NE2 3.12Å; T823-H841 VanDerWaalsContact C-NE2 3.32Å; T823-H841 PolarHBondContact O-CD2 3.37Å; T823-H841 VanDerWaalsContact O-CD2 3.31Å; T823-H841 PolarHBondContact O-NE2 3.32Å; T823-H841 PolarHBondContact OG1-CD2 3.16Å; T823-H841 PolarHBondContact OG1-NE2 3.05Å; R824-H841 VanDerWaalsContact CG-CE1 3.43Å; R824-H841 WeakPolarHBondContact CG-CE1 3.49Å; R824-H841 PolarHBondContact N-NE2 3.16Å; C839-H841 PolarHBondContact O-N 3.31Å; H841-L844 PolarHBondContact O-N 3.25Å; H841-A845 WeakPolarHBondContact O-CB 3.33Å; H841-A845 PolarHBondContact O-N 3.35Å; H841-L871 HydrophobicContact CB-CB 4.35Å; H841-E872 WeakPolarHBondContact CB-O 3.29Å; H841-E872 PolarHBondContact ND1-N 3.24Å; H841-E872 PolarHBondContact ND1-O 3.02Å |
| 842 | D | 90.9 | Very high | 83.5 | Confident | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.016 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -68.8 | -43.5 | 175.7 | -57.6 | -44.1 | 0 | 0 | 0 | 110.4 | V838 C839 V840 L844 A845 V846 L873 S874 V879 | V838-D842 HydrophobicContact CG1-CB 3.86Å; C839-D842 PolarHBondContact N-OD2 2.93Å; C839-D842 WeakPolarHBondContact O-CB 3.34Å; C839-D842 PolarHBondContact O-N 3.27Å; C839-D842 VanDerWaalsContact SG-CG 3.5Å; C839-D842 PolarHBondContact SG-OD2 3.41Å; V840-D842 VanDerWaalsContact C-N 3.26Å; V840-D842 PolarHBondContact O-N 3.46Å; D842-L844 VanDerWaalsContact C-N 3.32Å; D842-L844 PolarHBondContact O-N 3.39Å; D842-A845 PolarHBondContact O-N 3.46Å; D842-V846 WeakPolarHBondContact O-CG2 3.39Å; D842-V846 PolarHBondContact O-N 2.99Å; D842-L873 WeakPolarHBondContact OD1-CA 3.32Å; D842-S874 VanDerWaalsContact CG-OG 3.31Å; D842-S874 PolarHBondContact OD1-N 2.64Å; D842-S874 PolarHBondContact OD1-OG 3.42Å; D842-S874 WeakPolarHBondContact OD2-CB 3.26Å; D842-S874 PolarHBondContact OD2-N 3.29Å; D842-S874 PolarHBondContact OD2-OG 2.88Å; D842-V879 HydrophobicContact CB-CG1 3.72Å |
| 843 | Y | 91 | Very high | 84.7 | Confident | 101 Ų | 101 | 43.6 Ų | 43.6 | 40% | 0.396 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.5 | -44 | 172.7 | -59.8 | -64.1 | 0 | 0 | 0 | 111.4 | V838 V840 A845 V846 R847 | V838-Y843 HydrophobicContact CB-CE2 4.49Å; V838-Y843 HydrophobicContact CG1-CD2 4.33Å; V838-Y843 HydrophobicContact CG1-CE1 4.07Å; V838-Y843 HydrophobicContact CG1-CE2 3.72Å; V840-Y843 PolarHBondContact O-N 3.37Å; Y843-A845 VanDerWaalsContact C-N 3.33Å; Y843-A845 PolarHBondContact O-N 3.13Å; Y843-V846 PolarHBondContact O-N 3.04Å; Y843-R847 WeakPolarHBondContact O-CG 3.34Å; Y843-R847 PolarHBondContact O-N 2.92Å |
| 844 | L | 92.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.4 | -43.8 | 177.8 | -173.1 | 58.7 | 0 | 0 | 0 | 111.4 | E788 F791 V820 V840 H841 D842 V846 R847 M848 L871 | E788-L844 HydrophobicContact CG-CB 3.89Å; E788-L844 HydrophobicContact CG-CD1 4.21Å; E788-L844 PolarHBondContact OE1-N 3.05Å; F791-L844 HydrophobicContact CB-CD1 3.79Å; F791-L844 HydrophobicContact CD1-CD1 3.65Å; F791-L844 HydrophobicContact CD2-CD1 3.78Å; F791-L844 HydrophobicContact CD2-CD2 4.39Å; F791-L844 HydrophobicContact CE1-CD1 4.13Å; F791-L844 HydrophobicContact CE2-CD1 4.24Å; F791-L844 HydrophobicContact CE2-CD2 4.48Å; F791-L844 HydrophobicContact CG-CD1 3.46Å; F791-L844 VanDerWaalsContact CG-CD1 3.46Å; F791-L844 HydrophobicContact CZ-CD1 4.4Å; V820-L844 HydrophobicContact CG2-CD2 4.21Å; V840-L844 PolarHBondContact O-N 2.91Å; V840-L844 VanDerWaalsContact O-N 3.11Å; H841-L844 PolarHBondContact O-N 3.25Å; D842-L844 VanDerWaalsContact C-N 3.32Å; D842-L844 PolarHBondContact O-N 3.39Å; L844-V846 PolarHBondContact O-N 3.49Å; L844-R847 PolarHBondContact O-N 2.93Å; L844-M848 HydrophobicContact CD1-CG 4.39Å; L844-M848 HydrophobicContact CD1-SD 4.26Å; L844-M848 HydrophobicContact CG-SD 3.93Å; L844-M848 WeakPolarHBondContact O-CB 3.36Å; L844-M848 WeakPolarHBondContact O-CG 3.19Å; L844-M848 PolarHBondContact O-N 2.84Å; L844-L871 HydrophobicContact CD2-CD2 3.91Å |
| 845 | A | 92.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.3 | -45.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | H841 D842 Y843 M848 C849 L868 L871 L873 L883 | H841-A845 WeakPolarHBondContact O-CB 3.33Å; H841-A845 PolarHBondContact O-N 3.35Å; D842-A845 PolarHBondContact O-N 3.46Å; Y843-A845 VanDerWaalsContact C-N 3.33Å; Y843-A845 PolarHBondContact O-N 3.13Å; A845-M848 PolarHBondContact O-N 3.02Å; A845-C849 WeakPolarHBondContact O-CB 3.38Å; A845-C849 PolarHBondContact O-N 3.22Å; A845-C849 PolarHBondContact O-SG 3.35Å; A845-L868 HydrophobicContact CB-CD2 3.96Å; A845-L871 HydrophobicContact CB-CD1 3.74Å; A845-L873 HydrophobicContact CB-CD2 3.93Å; A845-L883 HydrophobicContact CB-CD1 3.98Å; A845-L883 HydrophobicContact CB-CD2 4.05Å |
| 846 | V | 91.5 | Very high | 88.7 | Confident | 55 Ų | 55 | 42.7 Ų | 42.7 | 33% | 0.333 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.9 | -45.6 | 176.7 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | D842 Y843 L844 M848 C849 G850 L886 | D842-V846 WeakPolarHBondContact O-CG2 3.39Å; D842-V846 PolarHBondContact O-N 2.99Å; Y843-V846 PolarHBondContact O-N 3.04Å; L844-V846 PolarHBondContact O-N 3.49Å; V846-M848 VanDerWaalsContact C-N 3.34Å; V846-M848 PolarHBondContact O-N 3.37Å; V846-C849 PolarHBondContact O-N 3.31Å; V846-G850 PolarHBondContact O-N 3.01Å; V846-L886 HydrophobicContact CG1-CD1 4.12Å; V846-L886 HydrophobicContact CG2-CD1 4.38Å |
| 847 | R | 91.1 | Very high | 89.9 | Confident | 100 Ų | 100 | 42 Ų | 42 | 38% | 0.377 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61 | -42.6 | 177.8 | -71.3 | -165.5 | -151.5 | -140.7 | 7.4 | 111.9 | E788 L792 Y843 L844 G850 E851 | E788-R847 VanDerWaalsContact CD-NE 3.32Å; E788-R847 WeakPolarHBondContact OE1-CD 3.31Å; E788-R847 IonicContact OE1-CZ 2.61Å; E788-R847 IonicContact OE1-NE 2.82Å; E788-R847 PolarHBondContact OE1-NE 3.28Å; E788-R847 IonicContact OE1-NH2 3.08Å; E788-R847 IonicContact OE2-CZ 3.65Å; E788-R847 IonicContact OE2-NE 2.72Å; E788-R847 PolarHBondContact OE2-NE 2.64Å; E788-R847 IonicContact OE2-NH2 3.87Å; E788-R847 PolarHBondContact OE2-NH2 3.31Å; L792-R847 HydrophobicContact CD1-CB 4.14Å; Y843-R847 WeakPolarHBondContact O-CG 3.34Å; Y843-R847 PolarHBondContact O-N 2.92Å; L844-R847 PolarHBondContact O-N 2.93Å; R847-G850 PolarHBondContact O-N 2.63Å; R847-E851 WeakPolarHBondContact O-CB 3.4Å; R847-E851 PolarHBondContact O-N 2.82Å |
| 848 | M | 92.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66 | -43.6 | 178 | -67.7 | 172.4 | 80.1 | 0 | 0 | 111.8 | F791 L844 A845 V846 E851 M852 Y864 T867 L868 L871 | F791-M848 HydrophobicContact CE1-CE 4.25Å; F791-M848 HydrophobicContact CE1-CG 3.97Å; F791-M848 HydrophobicContact CE1-SD 4.17Å; F791-M848 HydrophobicContact CZ-CE 4.03Å; F791-M848 HydrophobicContact CZ-SD 4.15Å; L844-M848 HydrophobicContact CD1-CG 4.39Å; L844-M848 HydrophobicContact CD1-SD 4.26Å; L844-M848 HydrophobicContact CG-SD 3.93Å; L844-M848 WeakPolarHBondContact O-CB 3.36Å; L844-M848 WeakPolarHBondContact O-CG 3.19Å; L844-M848 PolarHBondContact O-N 2.84Å; A845-M848 PolarHBondContact O-N 3.02Å; V846-M848 VanDerWaalsContact C-N 3.34Å; V846-M848 PolarHBondContact O-N 3.37Å; M848-E851 PolarHBondContact O-N 3.4Å; M848-M852 WeakPolarHBondContact O-CG 3.41Å; M848-M852 PolarHBondContact O-N 3.19Å; M848-Y864 HydrophobicContact CE-CD1 3.79Å; M848-Y864 HydrophobicContact CE-CG 4.22Å; M848-Y864 WeakPolarHBondContact CE-O 3.43Å; M848-T867 HydrophobicContact CE-CG2 3.69Å; M848-L868 HydrophobicContact CB-CD2 4.08Å; M848-L868 HydrophobicContact CB-CG 4.46Å; M848-L868 HydrophobicContact CE-CG 4.35Å; M848-L868 HydrophobicContact SD-CD2 4.2Å; M848-L871 HydrophobicContact SD-CD1 4.32Å |
| 849 | C | 92.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.5 | -44.9 | 175.7 | -68.2 | 0 | 0 | 0 | 0 | 111.4 | A845 V846 E851 M852 L853 L886 L890 | A845-C849 WeakPolarHBondContact O-CB 3.38Å; A845-C849 PolarHBondContact O-N 3.22Å; A845-C849 PolarHBondContact O-SG 3.35Å; V846-C849 PolarHBondContact O-N 3.31Å; C849-E851 VanDerWaalsContact C-N 3.31Å; C849-E851 PolarHBondContact O-N 3.19Å; C849-M852 PolarHBondContact O-N 2.93Å; C849-L853 WeakPolarHBondContact O-CG 3.16Å; C849-L853 PolarHBondContact O-N 3.03Å; C849-L886 HydrophobicContact CB-CB 4.07Å; C849-L886 HydrophobicContact CB-CD1 4.17Å; C849-L890 HydrophobicContact CB-CD1 3.75Å |
| 850 | G | 92.2 | Very high | 90.9 | Very high | 27 Ų | 27 | 43.4 Ų | 43.4 | 28% | 0.278 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.7 | -38.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V846 R847 L853 K854 | V846-G850 PolarHBondContact O-N 3.01Å; R847-G850 PolarHBondContact O-N 2.63Å; G850-L853 PolarHBondContact O-N 3.11Å; G850-K854 WeakPolarHBondContact O-CG 3.5Å; G850-K854 PolarHBondContact O-N 3.17Å |
| 851 | E | 91.4 | Very high | 90.9 | Very high | 26 Ų | 26 | 43.6 Ų | 43.6 | 12% | 0.121 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.2 | -42.8 | 176.3 | -164.2 | 69.2 | 172.7 | 0 | 0 | 112.1 | L792 R796 R847 M848 C849 L853 K854 Y864 | L792-E851 HydrophobicContact CD2-CB 4.29Å; L792-E851 HydrophobicContact CD2-CG 4.18Å; R796-E851 IonicContact CZ-OE1 3.25Å; R796-E851 IonicContact CZ-OE2 2.8Å; R796-E851 IonicContact NE-OE1 3.35Å; R796-E851 PolarHBondContact NE-OE1 3.39Å; R796-E851 IonicContact NH2-OE1 2.66Å; R796-E851 PolarHBondContact NH2-OE1 3.44Å; R796-E851 IonicContact NH2-OE2 3.21Å; R796-E851 PolarHBondContact NH2-OE2 3.36Å; R847-E851 WeakPolarHBondContact O-CB 3.4Å; R847-E851 PolarHBondContact O-N 2.82Å; M848-E851 PolarHBondContact O-N 3.4Å; C849-E851 VanDerWaalsContact C-N 3.31Å; C849-E851 PolarHBondContact O-N 3.19Å; E851-L853 VanDerWaalsContact C-N 3.29Å; E851-L853 PolarHBondContact O-N 3.32Å; E851-K854 PolarHBondContact O-N 2.77Å; E851-K854 IonicContact OE2-NZ 2.71Å; E851-K854 PolarHBondContact OE2-NZ 3.37Å; E851-Y864 HydrophobicContact CB-CE2 4.27Å; E851-Y864 HydrophobicContact CG-CE2 3.83Å |
| 852 | M | 92.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.1 | -33.5 | 174.9 | -71.8 | 173.9 | 54.5 | 0 | 0 | 112.8 | M848 C849 K854 D855 P856 V861 Y864 A865 L868 L890 V894 L903 | M848-M852 WeakPolarHBondContact O-CG 3.41Å; M848-M852 PolarHBondContact O-N 3.19Å; C849-M852 PolarHBondContact O-N 2.93Å; M852-K854 VanDerWaalsContact C-N 3.35Å; M852-D855 CarbonylContact O-C 3.32Å; M852-D855 VanDerWaalsContact O-C 3.32Å; M852-P856 VanDerWaalsContact O-CA 3.24Å; M852-P856 WeakPolarHBondContact O-CA 3.44Å; M852-P856 WeakPolarHBondContact O-CG 3.33Å; M852-P856 VanDerWaalsContact O-N 3.13Å; M852-V861 HydrophobicContact CE-CG1 3.81Å; M852-V861 HydrophobicContact CG-CG1 4.37Å; M852-V861 HydrophobicContact CG-CG2 4.33Å; M852-Y864 HydrophobicContact CG-CD2 3.91Å; M852-Y864 HydrophobicContact CG-CG 4.4Å; M852-A865 HydrophobicContact CE-CB 4.14Å; M852-L868 HydrophobicContact SD-CD1 4.22Å; M852-L890 HydrophobicContact CB-CD1 4.43Å; M852-L890 HydrophobicContact CB-CD2 3.53Å; M852-L890 HydrophobicContact CE-CD1 4.15Å; M852-L890 HydrophobicContact CE-CD2 3.96Å; M852-V894 HydrophobicContact CE-CG2 4.18Å; M852-L903 HydrophobicContact CE-CD1 3.84Å; M852-L903 HydrophobicContact CE-CD2 3.86Å; M852-L903 HydrophobicContact CE-CG 4.36Å |
| 853 | L | 92.9 | Very high | 90.8 | Very high | 50 Ų | 50 | 51.1 Ų | 51.1 | 26% | 0.262 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -71.9 | -26.9 | 177.4 | -75.7 | 170.4 | 0 | 0 | 0 | 113 | C849 G850 E851 L886 Q889 L890 V893 | C849-L853 WeakPolarHBondContact O-CG 3.16Å; C849-L853 PolarHBondContact O-N 3.03Å; G850-L853 PolarHBondContact O-N 3.11Å; E851-L853 VanDerWaalsContact C-N 3.29Å; E851-L853 PolarHBondContact O-N 3.32Å; L853-L886 HydrophobicContact CD1-CD2 3.8Å; L853-Q889 HydrophobicContact CD2-CB 4.06Å; L853-L890 HydrophobicContact CD2-CD2 3.63Å; L853-L890 HydrophobicContact CD2-CG 3.81Å; L853-L890 HydrophobicContact CG-CD2 3.67Å; L853-L890 HydrophobicContact CG-CG 3.89Å; L853-V893 HydrophobicContact CD2-CG2 4Å |
| 854 | K | 92.3 | Very high | 90.9 | Very high | 148 Ų | 148 | 46.4 Ų | 46.4 | 64% | 0.643 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -67.9 | -44.3 | 177.3 | -71.8 | 171.2 | -165.1 | 164.8 | 0 | 112.2 | G850 E851 M852 | G850-K854 WeakPolarHBondContact O-CG 3.5Å; G850-K854 PolarHBondContact O-N 3.17Å; E851-K854 PolarHBondContact O-N 2.77Å; E851-K854 IonicContact OE2-NZ 2.71Å; E851-K854 PolarHBondContact OE2-NZ 3.37Å; M852-K854 VanDerWaalsContact C-N 3.35Å |
| 855 | D | 89.9 | Confident | 90.8 | Very high | 75 Ų | 75 | 46.4 Ų | 46.4 | 40% | 0.401 | 24% | 0.243 | S | C | . | . | trans | -139.8 | 90.2 | 173.4 | -174.9 | -4.3 | 0 | 0 | 0 | 110.6 | M852 T857 A858 V861 | M852-D855 CarbonylContact O-C 3.32Å; M852-D855 VanDerWaalsContact O-C 3.32Å; D855-T857 PolarHBondContact O-N 3.44Å; D855-T857 PolarHBondContact OD1-N 2.7Å; D855-T857 PolarHBondContact OD1-OG1 2.97Å; D855-A858 HydrophobicContact CB-CB 4.11Å; D855-A858 WeakPolarHBondContact O-CB 3.32Å; D855-A858 PolarHBondContact O-N 3.24Å; D855-A858 PolarHBondContact OD1-N 2.94Å; D855-V861 WeakPolarHBondContact O-CG2 3.46Å | ||
| 856 | P | 89.7 | Confident | 90.7 | Very high | 34 Ų | 34 | 52.1 Ų | 52.1 | 22% | 0.221 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -8.2 | 179.6 | -21.7 | 33.2 | 0 | 0 | 0 | 114.5 | M852 V893 V894 | M852-P856 VanDerWaalsContact O-CA 3.24Å; M852-P856 WeakPolarHBondContact O-CA 3.44Å; M852-P856 WeakPolarHBondContact O-CG 3.33Å; M852-P856 VanDerWaalsContact O-N 3.13Å; P856-V893 HydrophobicContact CB-CB 4.31Å; P856-V893 HydrophobicContact CB-CG2 4.03Å; P856-V893 HydrophobicContact CG-CB 4.06Å; P856-V893 HydrophobicContact CG-CG2 3.76Å; P856-V894 HydrophobicContact CB-CG2 4.43Å |
| 857 | T | 87.4 | Confident | 90.6 | Very high | 123 Ų | 123 | 49.9 Ų | 49.9 | 76% | 0.755 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -5.8 | -178.8 | 60.9 | 0 | 0 | 0 | 0 | 113.7 | D855 | D855-T857 PolarHBondContact O-N 3.44Å; D855-T857 PolarHBondContact OD1-N 2.7Å; D855-T857 PolarHBondContact OD1-OG1 2.97Å |
| 858 | A | 88.4 | Confident | 90.6 | Very high | 11 Ų | 11 | 45.2 Ų | 45.2 | 9% | 0.091 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -63.2 | 143.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D855 E860 V861 | D855-A858 HydrophobicContact CB-CB 4.11Å; D855-A858 WeakPolarHBondContact O-CB 3.32Å; D855-A858 PolarHBondContact O-N 3.24Å; D855-A858 PolarHBondContact OD1-N 2.94Å; A858-E860 VanDerWaalsContact CB-CD 3.49Å; A858-E860 HydrophobicContact CB-CG 4.2Å; A858-E860 WeakPolarHBondContact CB-OE2 3.47Å; A858-E860 PolarHBondContact O-N 3.17Å; A858-V861 HydrophobicContact CB-CG2 4.24Å; A858-V861 VanDerWaalsContact O-CB 3.28Å; A858-V861 WeakPolarHBondContact O-CB 3.41Å; A858-V861 VanDerWaalsContact O-CG2 3.26Å; A858-V861 WeakPolarHBondContact O-CG2 3.46Å; A858-V861 PolarHBondContact O-N 2.8Å; A858-V861 VanDerWaalsContact O-N 3.08Å |
| 859 | P | 85.3 | Confident | 90.3 | Very high | 114 Ų | 114 | 47.1 Ų | 47.1 | 74% | 0.74 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -29.8 | -177.3 | 22.7 | -32.1 | 0 | 0 | 0 | 113.4 | V861 | P859-V861 VanDerWaalsContact C-N 3.26Å; P859-V861 PolarHBondContact O-N 3.46Å |
| 860 | E | 88.1 | Confident | 90 | Very high | 41 Ų | 41 | 51 Ų | 51 | 19% | 0.192 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -13.6 | 178.1 | 61.6 | -92.1 | -145.2 | 0 | 0 | 114.4 | L799 A858 R862 L863 Y864 | L799-E860 HydrophobicContact CD1-CB 3.55Å; L799-E860 HydrophobicContact CD1-CG 3.88Å; L799-E860 HydrophobicContact CD2-CB 4.38Å; A858-E860 VanDerWaalsContact CB-CD 3.49Å; A858-E860 HydrophobicContact CB-CG 4.2Å; A858-E860 WeakPolarHBondContact CB-OE2 3.47Å; A858-E860 PolarHBondContact O-N 3.17Å; E860-R862 PolarHBondContact O-N 2.79Å; E860-L863 WeakPolarHBondContact O-CA 3.49Å; E860-L863 WeakPolarHBondContact O-CB 3.16Å; E860-L863 PolarHBondContact O-N 2.95Å; E860-Y864 HydrophobicContact CB-CD2 4.41Å; E860-Y864 HydrophobicContact CB-CE2 3.93Å; E860-Y864 HydrophobicContact CG-CD2 4.17Å; E860-Y864 HydrophobicContact CG-CE2 3.48Å; E860-Y864 VanDerWaalsContact CG-CE2 3.48Å; E860-Y864 WeakPolarHBondContact O-CD2 3.36Å; E860-Y864 PolarHBondContact O-N 3.43Å |
| 861 | V | 90.9 | Very high | 89.9 | Confident | 7 Ų | 7 | 50.7 Ų | 50.7 | 4% | 0.042 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -55.4 | -37.2 | 175 | 170.5 | 0 | 0 | 0 | 0 | 111 | M852 D855 A858 P859 Y864 A865 V894 | M852-V861 HydrophobicContact CE-CG1 3.81Å; M852-V861 HydrophobicContact CG-CG1 4.37Å; M852-V861 HydrophobicContact CG-CG2 4.33Å; D855-V861 WeakPolarHBondContact O-CG2 3.46Å; A858-V861 HydrophobicContact CB-CG2 4.24Å; A858-V861 VanDerWaalsContact O-CB 3.28Å; A858-V861 WeakPolarHBondContact O-CB 3.41Å; A858-V861 VanDerWaalsContact O-CG2 3.26Å; A858-V861 WeakPolarHBondContact O-CG2 3.46Å; A858-V861 PolarHBondContact O-N 2.8Å; A858-V861 VanDerWaalsContact O-N 3.08Å; P859-V861 VanDerWaalsContact C-N 3.26Å; P859-V861 PolarHBondContact O-N 3.46Å; V861-Y864 PolarHBondContact O-N 3.41Å; V861-A865 VanDerWaalsContact O-CB 3.25Å; V861-A865 WeakPolarHBondContact O-CB 3.06Å; V861-A865 PolarHBondContact O-N 2.95Å; V861-V894 HydrophobicContact CG1-CG1 4.23Å; V861-V894 HydrophobicContact CG1-CG2 4.25Å |
| 862 | R | 90.4 | Very high | 89.8 | Confident | 140 Ų | 140 | 52.6 Ų | 52.6 | 53% | 0.528 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.5 | -36.7 | 177.1 | -172.9 | 172.1 | 179.5 | 163.4 | -1.2 | 113.2 | E860 K866 C899 | E860-R862 PolarHBondContact O-N 2.79Å; R862-K866 WeakPolarHBondContact O-CB 3.4Å; R862-K866 PolarHBondContact O-N 2.71Å; R862-C899 WeakPolarHBondContact CA-SG 3.33Å |
| 863 | L | 90.7 | Very high | 89.6 | Confident | 21 Ų | 21 | 54.7 Ų | 54.7 | 11% | 0.11 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.3 | -49.1 | 175.6 | 174.4 | 64.3 | 0 | 0 | 0 | 110.1 | I795 I812 N813 V816 E860 K866 T867 | I795-L863 HydrophobicContact CG2-CD2 4.28Å; I812-L863 HydrophobicContact CG2-CD2 3.64Å; N813-L863 WeakPolarHBondContact OD1-CD1 3.2Å; V816-L863 HydrophobicContact CB-CD1 4.41Å; V816-L863 HydrophobicContact CG1-CD1 4.49Å; V816-L863 HydrophobicContact CG2-CD1 4.11Å; V816-L863 HydrophobicContact CG2-CD2 3.94Å; V816-L863 HydrophobicContact CG2-CG 4.21Å; E860-L863 WeakPolarHBondContact O-CA 3.49Å; E860-L863 WeakPolarHBondContact O-CB 3.16Å; E860-L863 PolarHBondContact O-N 2.95Å; L863-K866 PolarHBondContact O-N 3.11Å; L863-T867 WeakPolarHBondContact O-CB 3.47Å; L863-T867 PolarHBondContact O-N 3.44Å; L863-T867 PolarHBondContact O-OG1 3.31Å |
| 864 | Y | 92.5 | Very high | 89.1 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 0% | 0.004 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.3 | -46.9 | 180 | -60.5 | -34 | 0 | 0 | 0 | 112.2 | F791 L792 I795 M848 E851 M852 E860 V861 K866 T867 L868 | F791-Y864 HydrophobicContact CE1-CD1 4.31Å; F791-Y864 AromaticContact CE1-CE1 3.98Å; F791-Y864 HydrophobicContact CE1-CE1 3.98Å; L792-Y864 HydrophobicContact CD2-CE1 4.49Å; I795-Y864 HydrophobicContact CG2-CE1 4.17Å; M848-Y864 HydrophobicContact CE-CD1 3.79Å; M848-Y864 HydrophobicContact CE-CG 4.22Å; M848-Y864 WeakPolarHBondContact CE-O 3.43Å; E851-Y864 HydrophobicContact CB-CE2 4.27Å; E851-Y864 HydrophobicContact CG-CE2 3.83Å; M852-Y864 HydrophobicContact CG-CD2 3.91Å; M852-Y864 HydrophobicContact CG-CG 4.4Å; E860-Y864 HydrophobicContact CB-CD2 4.41Å; E860-Y864 HydrophobicContact CB-CE2 3.93Å; E860-Y864 HydrophobicContact CG-CD2 4.17Å; E860-Y864 HydrophobicContact CG-CE2 3.48Å; E860-Y864 VanDerWaalsContact CG-CE2 3.48Å; E860-Y864 WeakPolarHBondContact O-CD2 3.36Å; E860-Y864 PolarHBondContact O-N 3.43Å; V861-Y864 PolarHBondContact O-N 3.41Å; Y864-K866 VanDerWaalsContact C-N 3.31Å; Y864-K866 PolarHBondContact O-N 3.45Å; Y864-T867 PolarHBondContact O-N 3.2Å; Y864-T867 VanDerWaalsContact O-N 3.11Å; Y864-L868 WeakPolarHBondContact O-CG 3.37Å; Y864-L868 PolarHBondContact O-N 2.87Å |
| 865 | A | 91.1 | Very high | 88.5 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.5 | -41.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | M852 V861 C899 L903 | M852-A865 HydrophobicContact CE-CB 4.14Å; V861-A865 VanDerWaalsContact O-CB 3.25Å; V861-A865 WeakPolarHBondContact O-CB 3.06Å; V861-A865 PolarHBondContact O-N 2.95Å; A865-C899 HydrophobicContact CB-CB 3.94Å; A865-L903 HydrophobicContact CB-CD2 4.33Å; A865-L903 HydrophobicContact CB-CG 4.3Å |
| 866 | K | 90.1 | Very high | 88 | Confident | 119 Ų | 119 | 54.1 Ų | 54.1 | 52% | 0.517 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.1 | -40.4 | 177.2 | -174.9 | -174.9 | 173.6 | -160.5 | 0 | 111.7 | R862 L863 Y864 S869 | R862-K866 WeakPolarHBondContact O-CB 3.4Å; R862-K866 PolarHBondContact O-N 2.71Å; L863-K866 PolarHBondContact O-N 3.11Å; Y864-K866 VanDerWaalsContact C-N 3.31Å; Y864-K866 PolarHBondContact O-N 3.45Å; K866-S869 PolarHBondContact O-N 3.35Å |
| 867 | T | 91.3 | Very high | 87.5 | Confident | 9 Ų | 9 | 58.7 Ų | 58.7 | 6% | 0.055 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71.5 | -35.7 | -175.4 | -58 | 0 | 0 | 0 | 0 | 112.3 | V816 V820 M848 L863 Y864 S869 N870 | V816-T867 HydrophobicContact CG1-CG2 3.42Å; V816-T867 VanDerWaalsContact CG1-CG2 3.42Å; V816-T867 WeakPolarHBondContact CG1-OG1 3.45Å; V820-T867 HydrophobicContact CG2-CG2 3.61Å; M848-T867 HydrophobicContact CE-CG2 3.69Å; L863-T867 WeakPolarHBondContact O-CB 3.47Å; L863-T867 PolarHBondContact O-N 3.44Å; L863-T867 PolarHBondContact O-OG1 3.31Å; Y864-T867 PolarHBondContact O-N 3.2Å; Y864-T867 VanDerWaalsContact O-N 3.11Å; T867-S869 PolarHBondContact O-N 3.14Å; T867-S869 VanDerWaalsContact O-N 3.14Å; T867-N870 WeakPolarHBondContact O-CB 2.86Å; T867-N870 PolarHBondContact O-N 3.31Å |
| 868 | L | 90.1 | Very high | 87.3 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -52.2 | -35.4 | 174.9 | -81.4 | 173.8 | 0 | 0 | 0 | 112.9 | A845 M848 M852 Y864 N870 L871 L903 M906 | A845-L868 HydrophobicContact CB-CD2 3.96Å; M848-L868 HydrophobicContact CB-CD2 4.08Å; M848-L868 HydrophobicContact CB-CG 4.46Å; M848-L868 HydrophobicContact CE-CG 4.35Å; M848-L868 HydrophobicContact SD-CD2 4.2Å; M852-L868 HydrophobicContact SD-CD1 4.22Å; Y864-L868 WeakPolarHBondContact O-CG 3.37Å; Y864-L868 PolarHBondContact O-N 2.87Å; L868-N870 PolarHBondContact O-N 2.9Å; L868-L871 HydrophobicContact CD2-CD1 3.99Å; L868-L871 PolarHBondContact O-N 3.47Å; L868-L903 HydrophobicContact CD1-CD2 3.97Å; L868-M906 HydrophobicContact CB-CE 4.1Å; L868-M906 HydrophobicContact CB-SD 3.63Å; L868-M906 HydrophobicContact CD1-SD 4.31Å; L868-M906 HydrophobicContact CD2-CE 4.15Å; L868-M906 HydrophobicContact CD2-SD 4.38Å; L868-M906 HydrophobicContact CG-SD 4.33Å |
| 869 | S | 85.6 | Confident | 87 | Confident | 39 Ų | 39 | 57.2 Ų | 57.2 | 27% | 0.273 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -11.7 | 177 | -63.6 | 0 | 0 | 0 | 0 | 114.6 | K866 T867 | K866-S869 PolarHBondContact O-N 3.35Å; T867-S869 PolarHBondContact O-N 3.14Å; T867-S869 VanDerWaalsContact O-N 3.14Å |
| 870 | N | 87.5 | Confident | 86.8 | Confident | 82 Ų | 82 | 53.4 Ų | 53.4 | 44% | 0.439 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 0.8 | -178.2 | -61.9 | -23.4 | 0 | 0 | 0 | 112.9 | T867 L868 | T867-N870 WeakPolarHBondContact O-CB 2.86Å; T867-N870 PolarHBondContact O-N 3.31Å; L868-N870 PolarHBondContact O-N 2.9Å |
| 871 | L | 90.9 | Very high | 86.7 | Confident | 20 Ų | 20 | 54.5 Ų | 54.5 | 11% | 0.105 | 26% | 0.258 | C | S | . | . | trans | -82.8 | 138.3 | -178.6 | -59.9 | -176.9 | 0 | 0 | 0 | 111.7 | V820 H841 L844 A845 M848 L868 L873 | V820-L871 HydrophobicContact CG1-CD2 3.79Å; V820-L871 HydrophobicContact CG2-CD2 4.06Å; H841-L871 HydrophobicContact CB-CB 4.35Å; L844-L871 HydrophobicContact CD2-CD2 3.91Å; A845-L871 HydrophobicContact CB-CD1 3.74Å; M848-L871 HydrophobicContact SD-CD1 4.32Å; L868-L871 HydrophobicContact CD2-CD1 3.99Å; L868-L871 PolarHBondContact O-N 3.47Å; L871-L873 HydrophobicContact CB-CD2 4.12Å | ||
| 872 | E | 89.1 | Confident | 86.5 | Confident | 66 Ų | 66 | 59 Ų | 59 | 31% | 0.308 | 28% | 0.282 | S | S | . | . | trans | -85 | 100.1 | 167.4 | -63.5 | 177.5 | -175.4 | 0 | 0 | 109.6 | R824 P825 S826 C839 H841 | R824-E872 IonicContact NE-OE1 3.18Å; P825-E872 WeakPolarHBondContact CD-OE2 3.48Å; P825-E872 HydrophobicContact CG-CB 4.19Å; P825-E872 WeakPolarHBondContact CG-OE2 3.44Å; S826-E872 VanDerWaalsContact CB-OE2 3.28Å; S826-E872 WeakPolarHBondContact CB-OE2 3.28Å; S826-E872 PolarHBondContact N-OE2 2.92Å; S826-E872 VanDerWaalsContact OG-CD 3.27Å; S826-E872 PolarHBondContact OG-OE1 3.41Å; S826-E872 PolarHBondContact OG-OE2 3.12Å; C839-E872 PolarHBondContact SG-O 3.05Å; H841-E872 WeakPolarHBondContact CB-O 3.29Å; H841-E872 PolarHBondContact ND1-N 3.24Å; H841-E872 PolarHBondContact ND1-O 3.02Å | ||
| 873 | L | 86.9 | Confident | 86.5 | Confident | 46 Ų | 46 | 52.6 Ų | 52.6 | 24% | 0.241 | 26% | 0.258 | C | S | . | . | trans | -90.6 | 149.8 | -178.1 | -57.1 | 174.6 | 0 | 0 | 0 | 112.1 | D842 A845 L871 L883 M906 L910 | D842-L873 WeakPolarHBondContact OD1-CA 3.32Å; A845-L873 HydrophobicContact CB-CD2 3.93Å; L871-L873 HydrophobicContact CB-CD2 4.12Å; L873-L883 HydrophobicContact CD1-CD2 3.72Å; L873-L883 HydrophobicContact CD2-CD2 4.25Å; L873-M906 HydrophobicContact CD1-CE 3.66Å; L873-L910 HydrophobicContact CD1-CD2 3.84Å | ||
| 874 | S | 83.9 | Confident | 86.4 | Confident | 8 Ų | 8 | 52.5 Ų | 52.5 | 6% | 0.056 | 26% | 0.258 | C | S | . | . | trans | -73 | 170.7 | 176.4 | 69.3 | 0 | 0 | 0 | 0 | 112.5 | E837 D842 | E837-S874 WeakPolarHBondContact O-CB 3.39Å; D842-S874 VanDerWaalsContact CG-OG 3.31Å; D842-S874 PolarHBondContact OD1-N 2.64Å; D842-S874 PolarHBondContact OD1-OG 3.42Å; D842-S874 WeakPolarHBondContact OD2-CB 3.26Å; D842-S874 PolarHBondContact OD2-N 3.29Å; D842-S874 PolarHBondContact OD2-OG 2.88Å | ||
| 875 | R | 78.4 | Confident | 86.3 | Confident | 194 Ų | 194 | 55.7 Ų | 55.7 | 73% | 0.732 | 28% | 0.278 | S | S | * | . | trans | -93.6 | 5.3 | 175.4 | -65.2 | -174.3 | 178.5 | -171.2 | -0.4 | 113.1 | E877 | R875-E877 PolarHBondContact O-N 3.46Š| ||
| 876 | E | 80.3 | Confident | 86.4 | Confident | 58 Ų | 58 | 57.4 Ų | 57.4 | 27% | 0.271 | 29% | 0.287 | S | S | . | . | trans | -65.9 | 126 | -178.4 | -162.5 | 175.8 | 143.1 | 0 | 0 | 111.1 | E836 V838 T878 R880 | E836-E876 WeakPolarHBondContact O-CB 3.36Å; V838-E876 WeakPolarHBondContact CG2-OE2 3.48Å; V838-E876 PolarHBondContact N-OE2 3.26Å; E876-T878 PolarHBondContact OE1-OG1 3.42Å; E876-R880 WeakPolarHBondContact O-CB 3.28Å; E876-R880 VanDerWaalsContact O-CD 3.27Å; E876-R880 WeakPolarHBondContact O-CD 3.25Å; E876-R880 WeakPolarHBondContact O-CG 3.41Å; E876-R880 PolarHBondContact O-N 3.27Å | ||
| 877 | E | 79.3 | Confident | 86.4 | Confident | 130 Ų | 130 | 51.7 Ų | 51.7 | 61% | 0.607 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -69.8 | -38.9 | -167.3 | -153.7 | 172.8 | -163.2 | 0 | 0 | 112.8 | R875 R880 D881 | R875-E877 PolarHBondContact O-N 3.46Å; E877-R880 PolarHBondContact O-N 3.49Å; E877-D881 PolarHBondContact O-N 3.5Å |
| 878 | T | 82.4 | Confident | 86.4 | Confident | 82 Ų | 82 | 56.3 Ų | 56.3 | 50% | 0.503 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.2 | -53.2 | 179.4 | 48.1 | 0 | 0 | 0 | 0 | 112 | E876 R880 D881 D882 | E876-T878 PolarHBondContact OE1-OG1 3.42Å; T878-R880 VanDerWaalsContact C-N 3.27Å; T878-R880 PolarHBondContact O-N 2.93Å; T878-D881 PolarHBondContact O-N 2.59Å; T878-D882 PolarHBondContact O-N 3.16Å |
| 879 | V | 81.9 | Confident | 86.4 | Confident | 22 Ų | 22 | 60.7 Ų | 60.7 | 13% | 0.133 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.8 | -32.9 | -177.3 | -176.8 | 0 | 0 | 0 | 0 | 111.6 | V838 D842 L883 | V838-V879 HydrophobicContact CG1-CG2 4.34Å; V838-V879 HydrophobicContact CG2-CG2 3.85Å; D842-V879 HydrophobicContact CB-CG1 3.72Å; V879-L883 VanDerWaalsContact O-CB 3.29Å; V879-L883 WeakPolarHBondContact O-CB 3.42Å; V879-L883 PolarHBondContact O-N 3.11Å |
| 880 | R | 82.3 | Confident | 86.7 | Confident | 34 Ų | 34 | 58.9 Ų | 58.9 | 13% | 0.128 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -70 | -38.3 | 175.2 | -70 | 171.2 | 61 | 87.4 | 11 | 112.4 | E876 E877 T878 L883 T884 L910 S913 | E876-R880 WeakPolarHBondContact O-CB 3.28Å; E876-R880 VanDerWaalsContact O-CD 3.27Å; E876-R880 WeakPolarHBondContact O-CD 3.25Å; E876-R880 WeakPolarHBondContact O-CG 3.41Å; E876-R880 PolarHBondContact O-N 3.27Å; E877-R880 PolarHBondContact O-N 3.49Å; T878-R880 VanDerWaalsContact C-N 3.27Å; T878-R880 PolarHBondContact O-N 2.93Å; R880-L883 PolarHBondContact O-N 3.32Å; R880-T884 VanDerWaalsContact O-CB 3.26Å; R880-T884 WeakPolarHBondContact O-CB 3.44Å; R880-T884 PolarHBondContact O-N 2.88Å; R880-T884 PolarHBondContact O-OG1 3.26Å; R880-L910 HydrophobicContact CG-CD2 4.48Å; R880-L910 VanDerWaalsContact NH2-CA 3.33Å; R880-L910 PolarHBondContact NH2-O 3.2Å; R880-S913 PolarHBondContact NH2-OG 3.34Å |
| 881 | D | 85.8 | Confident | 86.8 | Confident | 64 Ų | 64 | 56.8 Ų | 56.8 | 34% | 0.342 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.3 | -40.2 | 175.5 | -78.6 | -7 | 0 | 0 | 0 | 111.1 | E877 T878 T884 T885 K914 | E877-D881 PolarHBondContact O-N 3.5Å; T878-D881 PolarHBondContact O-N 2.59Å; D881-T884 PolarHBondContact O-N 2.92Å; D881-T885 PolarHBondContact O-N 3.08Å; D881-T885 PolarHBondContact O-OG1 2.84Å; D881-K914 IonicContact OD1-NZ 3.22Å; D881-K914 PolarHBondContact OD1-NZ 3.16Å; D881-K914 IonicContact OD2-NZ 2.72Å; D881-K914 PolarHBondContact OD2-NZ 2.85Å |
| 882 | D | 87.2 | Confident | 86.7 | Confident | 102 Ų | 102 | 63 Ų | 63 | 55% | 0.545 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.1 | -48.8 | 172.3 | -71.9 | -19.7 | 0 | 0 | 0 | 111.4 | T878 T884 T885 L886 | T878-D882 PolarHBondContact O-N 3.16Å; D882-T884 VanDerWaalsContact C-N 3.34Å; D882-T884 PolarHBondContact O-N 2.98Å; D882-T885 WeakPolarHBondContact O-CB 3.37Å; D882-T885 PolarHBondContact O-N 3.32Å; D882-L886 WeakPolarHBondContact O-CG 3.37Å; D882-L886 PolarHBondContact O-N 3.3Å |
| 883 | L | 88.7 | Confident | 86.8 | Confident | 4 Ų | 4 | 62.9 Ų | 62.9 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.2 | -37.6 | 179.2 | -173.4 | 61.6 | 0 | 0 | 0 | 112.2 | A845 L873 V879 R880 T885 L886 L887 M906 L910 | A845-L883 HydrophobicContact CB-CD1 3.98Å; A845-L883 HydrophobicContact CB-CD2 4.05Å; L873-L883 HydrophobicContact CD1-CD2 3.72Å; L873-L883 HydrophobicContact CD2-CD2 4.25Å; V879-L883 VanDerWaalsContact O-CB 3.29Å; V879-L883 WeakPolarHBondContact O-CB 3.42Å; V879-L883 PolarHBondContact O-N 3.11Å; R880-L883 PolarHBondContact O-N 3.32Å; L883-T885 VanDerWaalsContact C-N 3.31Å; L883-T885 PolarHBondContact O-N 3.26Å; L883-L886 PolarHBondContact O-N 3.38Å; L883-L887 HydrophobicContact CG-CD1 4.15Å; L883-L887 HydrophobicContact CG-CG 4.49Å; L883-L887 WeakPolarHBondContact O-CB 3.46Å; L883-L887 VanDerWaalsContact O-CG 3.28Å; L883-L887 WeakPolarHBondContact O-CG 3.42Å; L883-L887 PolarHBondContact O-N 3.33Å; L883-M906 HydrophobicContact CD2-CE 4.14Å; L883-L910 HydrophobicContact CB-CD1 4.46Å; L883-L910 HydrophobicContact CD2-CD1 3.85Å; L883-L910 HydrophobicContact CG-CD1 4Å |
| 884 | T | 89.3 | Confident | 87 | Confident | 20 Ų | 20 | 60.9 Ų | 60.9 | 12% | 0.123 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 174 | -61.7 | 0 | 0 | 0 | 0 | 110.5 | R880 D881 D882 L887 Q888 L907 | R880-T884 VanDerWaalsContact O-CB 3.26Å; R880-T884 WeakPolarHBondContact O-CB 3.44Å; R880-T884 PolarHBondContact O-N 2.88Å; R880-T884 PolarHBondContact O-OG1 3.26Å; D881-T884 PolarHBondContact O-N 2.92Å; D882-T884 VanDerWaalsContact C-N 3.34Å; D882-T884 PolarHBondContact O-N 2.98Å; T884-L887 PolarHBondContact O-N 3.28Å; T884-Q888 WeakPolarHBondContact O-CB 3.29Å; T884-Q888 VanDerWaalsContact O-CG 3.29Å; T884-Q888 WeakPolarHBondContact O-CG 3.14Å; T884-Q888 PolarHBondContact O-N 3.23Å; T884-L907 HydrophobicContact CG2-CD1 3.77Å |
| 885 | T | 90.9 | Very high | 87.1 | Confident | 68 Ų | 68 | 69.5 Ų | 69.5 | 42% | 0.417 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 177.1 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | D881 D882 L883 Q888 Q889 | D881-T885 PolarHBondContact O-N 3.08Å; D881-T885 PolarHBondContact O-OG1 2.84Å; D882-T885 WeakPolarHBondContact O-CB 3.37Å; D882-T885 PolarHBondContact O-N 3.32Å; L883-T885 VanDerWaalsContact C-N 3.31Å; L883-T885 PolarHBondContact O-N 3.26Å; T885-Q888 PolarHBondContact O-N 3.39Å; T885-Q889 WeakPolarHBondContact O-CG 3.49Å; T885-Q889 PolarHBondContact O-N 3.42Å; T885-Q889 VanDerWaalsContact O-N 3.11Å |
| 886 | L | 91.9 | Very high | 87.6 | Confident | 36 Ų | 36 | 63.5 Ų | 63.5 | 19% | 0.188 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 176.9 | -68 | 173.5 | 0 | 0 | 0 | 112.2 | V846 C849 L853 D882 L883 Q889 L890 | V846-L886 HydrophobicContact CG1-CD1 4.12Å; V846-L886 HydrophobicContact CG2-CD1 4.38Å; C849-L886 HydrophobicContact CB-CB 4.07Å; C849-L886 HydrophobicContact CB-CD1 4.17Å; L853-L886 HydrophobicContact CD1-CD2 3.8Å; D882-L886 WeakPolarHBondContact O-CG 3.37Å; D882-L886 PolarHBondContact O-N 3.3Å; L883-L886 PolarHBondContact O-N 3.38Å; L886-Q889 PolarHBondContact O-N 3.25Å; L886-L890 WeakPolarHBondContact O-CG 3.24Å; L886-L890 PolarHBondContact O-N 3.07Å |
| 887 | L | 90.3 | Very high | 88 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 177.7 | -74 | 170.9 | 0 | 0 | 0 | 112 | L883 T884 Q889 L890 V891 L903 M906 L907 L910 | L883-L887 HydrophobicContact CG-CD1 4.15Å; L883-L887 HydrophobicContact CG-CG 4.49Å; L883-L887 WeakPolarHBondContact O-CB 3.46Å; L883-L887 VanDerWaalsContact O-CG 3.28Å; L883-L887 WeakPolarHBondContact O-CG 3.42Å; L883-L887 PolarHBondContact O-N 3.33Å; T884-L887 PolarHBondContact O-N 3.28Å; L887-Q889 VanDerWaalsContact C-N 3.34Å; L887-Q889 PolarHBondContact O-N 2.9Å; L887-L890 HydrophobicContact CD2-CD1 4.47Å; L887-L890 PolarHBondContact O-N 3.31Å; L887-V891 WeakPolarHBondContact O-CG2 3.4Å; L887-V891 PolarHBondContact O-N 3Å; L887-L903 HydrophobicContact CD2-CD2 3.79Å; L887-M906 HydrophobicContact CD1-CB 4.48Å; L887-M906 HydrophobicContact CD1-CG 4.04Å; L887-M906 HydrophobicContact CD1-SD 3.98Å; L887-M906 HydrophobicContact CD2-SD 4.06Å; L887-L907 HydrophobicContact CB-CD1 4.01Å; L887-L910 HydrophobicContact CD1-CD1 3.58Å |
| 888 | Q | 91.1 | Very high | 88.4 | Confident | 106 Ų | 106 | 67 Ų | 67 | 50% | 0.495 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 173.9 | -75.8 | 174.6 | -1.4 | 0 | 0 | 111.5 | T884 T885 L892 L907 | T884-Q888 WeakPolarHBondContact O-CB 3.29Å; T884-Q888 VanDerWaalsContact O-CG 3.29Å; T884-Q888 WeakPolarHBondContact O-CG 3.14Å; T884-Q888 PolarHBondContact O-N 3.23Å; T885-Q888 PolarHBondContact O-N 3.39Å; Q888-L892 WeakPolarHBondContact O-CG 3.27Å; Q888-L892 PolarHBondContact O-N 2.93Å; Q888-L907 HydrophobicContact CG-CD1 4.07Å; Q888-L907 HydrophobicContact CG-CD2 4.21Å |
| 889 | Q | 91.4 | Very high | 88.7 | Confident | 94 Ų | 94 | 63.2 Ų | 63.2 | 44% | 0.439 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 174.1 | -69 | 177.5 | 5.6 | 0 | 0 | 111.6 | L853 T885 L886 L887 L892 V893 | L853-Q889 HydrophobicContact CD2-CB 4.06Å; T885-Q889 WeakPolarHBondContact O-CG 3.49Å; T885-Q889 PolarHBondContact O-N 3.42Å; T885-Q889 VanDerWaalsContact O-N 3.11Å; L886-Q889 PolarHBondContact O-N 3.25Å; L887-Q889 VanDerWaalsContact C-N 3.34Å; L887-Q889 PolarHBondContact O-N 2.9Å; Q889-L892 WeakPolarHBondContact O-CB 3.49Å; Q889-L892 PolarHBondContact O-N 3.28Å; Q889-V893 PolarHBondContact O-N 3.44Å |
| 890 | L | 91 | Very high | 89 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 179.2 | -80 | 168.6 | 0 | 0 | 0 | 113.4 | C849 M852 L853 L886 L887 L892 V893 V894 L903 | C849-L890 HydrophobicContact CB-CD1 3.75Å; M852-L890 HydrophobicContact CB-CD1 4.43Å; M852-L890 HydrophobicContact CB-CD2 3.53Å; M852-L890 HydrophobicContact CE-CD1 4.15Å; M852-L890 HydrophobicContact CE-CD2 3.96Å; L853-L890 HydrophobicContact CD2-CD2 3.63Å; L853-L890 HydrophobicContact CD2-CG 3.81Å; L853-L890 HydrophobicContact CG-CD2 3.67Å; L853-L890 HydrophobicContact CG-CG 3.89Å; L886-L890 WeakPolarHBondContact O-CG 3.24Å; L886-L890 PolarHBondContact O-N 3.07Å; L887-L890 HydrophobicContact CD2-CD1 4.47Å; L887-L890 PolarHBondContact O-N 3.31Å; L890-L892 PolarHBondContact O-N 3.29Å; L890-V893 HydrophobicContact CD2-CG2 4.34Å; L890-V893 PolarHBondContact O-N 2.87Å; L890-V893 VanDerWaalsContact O-N 3.12Å; L890-V894 HydrophobicContact CD2-CG2 4.07Å; L890-V894 WeakPolarHBondContact O-CB 3.47Å; L890-V894 WeakPolarHBondContact O-CG2 3.47Å; L890-V894 PolarHBondContact O-N 3.33Å; L890-L903 HydrophobicContact CB-CD1 4.18Å |
| 891 | V | 90.1 | Very high | 89.4 | Confident | 39 Ų | 39 | 70 Ų | 70 | 24% | 0.236 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.4 | -28.2 | 176.8 | 170.4 | 0 | 0 | 0 | 0 | 111.7 | L887 L900 L903 E904 | L887-V891 WeakPolarHBondContact O-CG2 3.4Å; L887-V891 PolarHBondContact O-N 3Å; V891-L900 HydrophobicContact CG1-CD2 4.27Å; V891-L900 WeakPolarHBondContact O-CD2 3.34Å; V891-L903 HydrophobicContact CG2-CB 4.09Å; V891-E904 HydrophobicContact CG1-CG 4.43Å; V891-E904 HydrophobicContact CG2-CG 4.32Å |
| 892 | L | 89.8 | Confident | 89.5 | Confident | 150 Ų | 150 | 67.9 Ų | 67.9 | 79% | 0.785 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -77.8 | -32 | 176.4 | -62.9 | 172.3 | 0 | 0 | 0 | 113.4 | Q888 Q889 L890 | Q888-L892 WeakPolarHBondContact O-CG 3.27Å; Q888-L892 PolarHBondContact O-N 2.93Å; Q889-L892 WeakPolarHBondContact O-CB 3.49Å; Q889-L892 PolarHBondContact O-N 3.28Å; L890-L892 PolarHBondContact O-N 3.29Å |
| 893 | V | 90.6 | Very high | 89.7 | Confident | 64 Ų | 64 | 63 Ų | 63 | 39% | 0.388 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -101.4 | -27.8 | -171.8 | -59.3 | 0 | 0 | 0 | 0 | 114.3 | L853 P856 Q889 L890 | L853-V893 HydrophobicContact CD2-CG2 4Å; P856-V893 HydrophobicContact CB-CB 4.31Å; P856-V893 HydrophobicContact CB-CG2 4.03Å; P856-V893 HydrophobicContact CG-CB 4.06Å; P856-V893 HydrophobicContact CG-CG2 3.76Å; Q889-V893 PolarHBondContact O-N 3.44Å; L890-V893 HydrophobicContact CD2-CG2 4.34Å; L890-V893 PolarHBondContact O-N 2.87Å; L890-V893 VanDerWaalsContact O-N 3.12Å |
| 894 | V | 90.1 | Very high | 89.7 | Confident | 4 Ų | 4 | 66.9 Ų | 66.9 | 2% | 0.024 | 32% | 0.324 | C | S | . | . | trans | -79.5 | 126.6 | -180 | 176.3 | 0 | 0 | 0 | 0 | 110 | M852 P856 V861 L890 C899 L900 L903 | M852-V894 HydrophobicContact CE-CG2 4.18Å; P856-V894 HydrophobicContact CB-CG2 4.43Å; V861-V894 HydrophobicContact CG1-CG1 4.23Å; V861-V894 HydrophobicContact CG1-CG2 4.25Å; L890-V894 HydrophobicContact CD2-CG2 4.07Å; L890-V894 WeakPolarHBondContact O-CB 3.47Å; L890-V894 WeakPolarHBondContact O-CG2 3.47Å; L890-V894 PolarHBondContact O-N 3.33Å; V894-C899 HydrophobicContact CG1-CB 3.68Å; V894-L900 HydrophobicContact CB-CD2 4.41Å; V894-L900 WeakPolarHBondContact O-CD1 3.44Å; V894-L900 VanDerWaalsContact O-CD2 3.28Å; V894-L900 WeakPolarHBondContact O-CD2 3.34Å; V894-L900 WeakPolarHBondContact O-CG 3.34Å; V894-L903 HydrophobicContact CB-CD1 4.24Å; V894-L903 HydrophobicContact CG1-CD1 4.37Å; V894-L903 HydrophobicContact CG2-CD1 4.08Å | ||
| 895 | K | 86.6 | Confident | 89.6 | Confident | 188 Ų | 188 | 71.9 Ų | 71.9 | 82% | 0.817 | 34% | 0.344 | S | S | * | . | trans | -100.5 | -18.5 | -176.7 | -63.1 | -176.7 | -178 | 176.1 | 0 | 114.5 | R897 | K895-R897 PolarHBondContact O-N 2.9Š| ||
| 896 | D | 88.9 | Confident | 89.4 | Confident | 68 Ų | 68 | 68.9 Ų | 68.9 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | trans | -69.3 | 124.6 | -179.6 | -179.5 | -89.5 | 0 | 0 | 0 | 111.1 | V898 C899 L900 | D896-V898 VanDerWaalsContact C-N 3.3Å; D896-V898 PolarHBondContact O-N 3.35Å; D896-V898 WeakPolarHBondContact OD1-CA 3.38Å; D896-V898 VanDerWaalsContact OD1-CB 3.32Å; D896-V898 WeakPolarHBondContact OD1-CB 3.35Å; D896-V898 PolarHBondContact OD1-N 3.07Å; D896-C899 HydrophobicContact CB-CB 4.08Å; D896-C899 PolarHBondContact O-N 3.04Å; D896-C899 PolarHBondContact OD1-N 3.43Å; D896-C899 PolarHBondContact OD1-SG 3.18Å; D896-L900 WeakPolarHBondContact O-CB 3.22Å; D896-L900 WeakPolarHBondContact O-CG 3.32Å; D896-L900 PolarHBondContact O-N 2.94Å | ||
| 897 | R | 88.5 | Confident | 89.2 | Confident | 193 Ų | 193 | 68.5 Ų | 68.5 | 73% | 0.728 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -65.4 | -29.2 | -175.1 | -70.4 | -176.9 | 175.5 | -176.6 | -1.9 | 113.6 | K895 R901 | K895-R897 PolarHBondContact O-N 2.9Å; R897-R901 WeakPolarHBondContact O-CG 3.38Å; R897-R901 PolarHBondContact O-N 3.3Å |
| 898 | V | 87.4 | Confident | 88.9 | Confident | 68 Ų | 68 | 74 Ų | 74 | 41% | 0.412 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -75.7 | -43 | 179.6 | -178.9 | 0 | 0 | 0 | 0 | 109.5 | D896 A902 | D896-V898 VanDerWaalsContact C-N 3.3Å; D896-V898 PolarHBondContact O-N 3.35Å; D896-V898 WeakPolarHBondContact OD1-CA 3.38Å; D896-V898 VanDerWaalsContact OD1-CB 3.32Å; D896-V898 WeakPolarHBondContact OD1-CB 3.35Å; D896-V898 PolarHBondContact OD1-N 3.07Å; V898-A902 PolarHBondContact O-N 3.43Å |
| 899 | C | 88.6 | Confident | 88.6 | Confident | 4 Ų | 4 | 73.6 Ų | 73.6 | 3% | 0.027 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.2 | -47.3 | 173.7 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | R862 A865 V894 D896 R901 A902 L903 | R862-C899 WeakPolarHBondContact CA-SG 3.33Å; A865-C899 HydrophobicContact CB-CB 3.94Å; V894-C899 HydrophobicContact CG1-CB 3.68Å; D896-C899 HydrophobicContact CB-CB 4.08Å; D896-C899 PolarHBondContact O-N 3.04Å; D896-C899 PolarHBondContact OD1-N 3.43Å; D896-C899 PolarHBondContact OD1-SG 3.18Å; C899-R901 PolarHBondContact O-N 2.71Å; C899-A902 WeakPolarHBondContact O-CB 3.45Å; C899-A902 PolarHBondContact O-N 2.98Å; C899-L903 WeakPolarHBondContact O-CG 3.28Å; C899-L903 PolarHBondContact O-N 2.97Å |
| 900 | L | 89.3 | Confident | 88.1 | Confident | 34 Ų | 34 | 69.4 Ų | 69.4 | 18% | 0.178 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -55.8 | -48.6 | 179 | -80.2 | 172.4 | 0 | 0 | 0 | 112.1 | V891 V894 D896 A902 L903 E904 | V891-L900 HydrophobicContact CG1-CD2 4.27Å; V891-L900 WeakPolarHBondContact O-CD2 3.34Å; V894-L900 HydrophobicContact CB-CD2 4.41Å; V894-L900 WeakPolarHBondContact O-CD1 3.44Å; V894-L900 VanDerWaalsContact O-CD2 3.28Å; V894-L900 WeakPolarHBondContact O-CD2 3.34Å; V894-L900 WeakPolarHBondContact O-CG 3.34Å; D896-L900 WeakPolarHBondContact O-CB 3.22Å; D896-L900 WeakPolarHBondContact O-CG 3.32Å; D896-L900 PolarHBondContact O-N 2.94Å; L900-A902 VanDerWaalsContact C-N 3.26Å; L900-A902 PolarHBondContact O-N 3.32Å; L900-L903 PolarHBondContact O-N 3.38Å; L900-E904 WeakPolarHBondContact O-CB 3.4Å; L900-E904 VanDerWaalsContact O-CG 3.28Å; L900-E904 WeakPolarHBondContact O-CG 3.28Å; L900-E904 PolarHBondContact O-N 3.45Å |
| 901 | R | 89.3 | Confident | 87.5 | Confident | 164 Ų | 164 | 72.3 Ų | 72.3 | 62% | 0.619 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -59.7 | -36.2 | 176.9 | -70.2 | 175.9 | -159.1 | 155.2 | 1.6 | 112.8 | R897 C899 K905 | R897-R901 WeakPolarHBondContact O-CG 3.38Å; R897-R901 PolarHBondContact O-N 3.3Å; C899-R901 PolarHBondContact O-N 2.71Å; R901-K905 WeakPolarHBondContact O-CB 3.47Å; R901-K905 PolarHBondContact O-N 3.38Å |
| 902 | A | 88.7 | Confident | 86.5 | Confident | 19 Ų | 19 | 74.4 Ų | 74.4 | 16% | 0.157 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -70 | -44.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V898 C899 L900 K905 M906 | V898-A902 PolarHBondContact O-N 3.43Å; C899-A902 WeakPolarHBondContact O-CB 3.45Å; C899-A902 PolarHBondContact O-N 2.98Å; L900-A902 VanDerWaalsContact C-N 3.26Å; L900-A902 PolarHBondContact O-N 3.32Å; A902-K905 PolarHBondContact O-N 3.3Å; A902-M906 PolarHBondContact O-N 2.91Å; A902-M906 VanDerWaalsContact O-N 3.07Å |
| 903 | L | 90.8 | Very high | 85.1 | Confident | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.2 | -45.6 | 177.8 | -65.5 | 170.4 | 0 | 0 | 0 | 111.9 | M852 A865 L868 L887 L890 V891 V894 C899 L900 K905 M906 L907 | M852-L903 HydrophobicContact CE-CD1 3.84Å; M852-L903 HydrophobicContact CE-CD2 3.86Å; M852-L903 HydrophobicContact CE-CG 4.36Å; A865-L903 HydrophobicContact CB-CD2 4.33Å; A865-L903 HydrophobicContact CB-CG 4.3Å; L868-L903 HydrophobicContact CD1-CD2 3.97Å; L887-L903 HydrophobicContact CD2-CD2 3.79Å; L890-L903 HydrophobicContact CB-CD1 4.18Å; V891-L903 HydrophobicContact CG2-CB 4.09Å; V894-L903 HydrophobicContact CB-CD1 4.24Å; V894-L903 HydrophobicContact CG1-CD1 4.37Å; V894-L903 HydrophobicContact CG2-CD1 4.08Å; C899-L903 WeakPolarHBondContact O-CG 3.28Å; C899-L903 PolarHBondContact O-N 2.97Å; L900-L903 PolarHBondContact O-N 3.38Å; L903-K905 VanDerWaalsContact C-N 3.34Å; L903-K905 PolarHBondContact O-N 2.8Å; L903-M906 PolarHBondContact O-N 2.94Å; L903-L907 WeakPolarHBondContact O-CB 3.37Å; L903-L907 PolarHBondContact O-N 3.21Å |
| 904 | E | 89 | Confident | 83.4 | Confident | 84 Ų | 84 | 70.4 Ų | 70.4 | 39% | 0.393 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.7 | -46.5 | 174.6 | -74.7 | 171.8 | 170 | 0 | 0 | 110.6 | V891 L900 M906 L907 H908 | V891-E904 HydrophobicContact CG1-CG 4.43Å; V891-E904 HydrophobicContact CG2-CG 4.32Å; L900-E904 WeakPolarHBondContact O-CB 3.4Å; L900-E904 VanDerWaalsContact O-CG 3.28Å; L900-E904 WeakPolarHBondContact O-CG 3.28Å; L900-E904 PolarHBondContact O-N 3.45Å; E904-M906 VanDerWaalsContact C-N 3.29Å; E904-M906 PolarHBondContact O-N 3.27Å; E904-L907 WeakPolarHBondContact O-CB 3.43Å; E904-L907 PolarHBondContact O-N 3.06Å; E904-H908 PolarHBondContact O-N 3.07Å; E904-H908 PolarHBondContact O-ND1 3.4Å |
| 905 | K | 88 | Confident | 81.7 | Confident | 126 Ų | 126 | 76.2 Ų | 76.2 | 55% | 0.548 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58 | -43 | 177.4 | -178.1 | -175.6 | 176.1 | -168.9 | 0 | 111.8 | R901 A902 L903 H908 Q909 | R901-K905 WeakPolarHBondContact O-CB 3.47Å; R901-K905 PolarHBondContact O-N 3.38Å; A902-K905 PolarHBondContact O-N 3.3Å; L903-K905 VanDerWaalsContact C-N 3.34Å; L903-K905 PolarHBondContact O-N 2.8Å; K905-H908 PolarHBondContact O-N 3.21Å; K905-Q909 WeakPolarHBondContact O-CG 3.41Å; K905-Q909 PolarHBondContact O-N 2.92Å |
| 906 | M | 86.1 | Confident | 79.9 | Confident | 5 Ų | 5 | 73.8 Ų | 73.8 | 3% | 0.025 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.9 | -41.4 | 177.7 | -171.1 | -176.9 | -168.9 | 0 | 0 | 112 | L868 L873 L883 L887 A902 L903 E904 H908 Q909 L910 | L868-M906 HydrophobicContact CB-CE 4.1Å; L868-M906 HydrophobicContact CB-SD 3.63Å; L868-M906 HydrophobicContact CD1-SD 4.31Å; L868-M906 HydrophobicContact CD2-CE 4.15Å; L868-M906 HydrophobicContact CD2-SD 4.38Å; L868-M906 HydrophobicContact CG-SD 4.33Å; L873-M906 HydrophobicContact CD1-CE 3.66Å; L883-M906 HydrophobicContact CD2-CE 4.14Å; L887-M906 HydrophobicContact CD1-CB 4.48Å; L887-M906 HydrophobicContact CD1-CG 4.04Å; L887-M906 HydrophobicContact CD1-SD 3.98Å; L887-M906 HydrophobicContact CD2-SD 4.06Å; A902-M906 PolarHBondContact O-N 2.91Å; A902-M906 VanDerWaalsContact O-N 3.07Å; L903-M906 PolarHBondContact O-N 2.94Å; E904-M906 VanDerWaalsContact C-N 3.29Å; E904-M906 PolarHBondContact O-N 3.27Å; M906-H908 VanDerWaalsContact C-N 3.33Å; M906-H908 PolarHBondContact O-N 3.49Å; M906-Q909 WeakPolarHBondContact O-CB 3.2Å; M906-Q909 PolarHBondContact O-N 3.46Å; M906-Q909 VanDerWaalsContact O-N 3.16Å; M906-L910 PolarHBondContact O-N 2.72Å |
| 907 | L | 86.9 | Confident | 78 | Confident | 28 Ų | 28 | 73.4 Ų | 73.4 | 15% | 0.147 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.9 | -44.9 | 175.3 | -175.5 | 67.2 | 0 | 0 | 0 | 111 | T884 L887 Q888 L903 E904 Q909 L910 V911 | T884-L907 HydrophobicContact CG2-CD1 3.77Å; L887-L907 HydrophobicContact CB-CD1 4.01Å; Q888-L907 HydrophobicContact CG-CD1 4.07Å; Q888-L907 HydrophobicContact CG-CD2 4.21Å; L903-L907 WeakPolarHBondContact O-CB 3.37Å; L903-L907 PolarHBondContact O-N 3.21Å; E904-L907 WeakPolarHBondContact O-CB 3.43Å; E904-L907 PolarHBondContact O-N 3.06Å; L907-Q909 PolarHBondContact O-N 3.46Å; L907-L910 PolarHBondContact O-N 2.93Å; L907-V911 WeakPolarHBondContact O-CG2 3.35Å; L907-V911 PolarHBondContact O-N 3.35Å |
| 908 | H | 85.6 | Confident | 76.1 | Confident | 116 Ų | 116 | 68.7 Ų | 68.7 | 54% | 0.537 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 174.9 | -72.5 | 76.9 | 0 | 0 | 0 | 111.7 | E904 K905 M906 L910 V911 D912 | E904-H908 PolarHBondContact O-N 3.07Å; E904-H908 PolarHBondContact O-ND1 3.4Å; K905-H908 PolarHBondContact O-N 3.21Å; M906-H908 VanDerWaalsContact C-N 3.33Å; M906-H908 PolarHBondContact O-N 3.49Å; H908-L910 VanDerWaalsContact C-N 3.25Å; H908-L910 PolarHBondContact O-N 2.95Å; H908-V911 PolarHBondContact O-N 3.31Å; H908-D912 WeakPolarHBondContact O-CB 3.26Å; H908-D912 PolarHBondContact O-N 3.02Å |
| 909 | Q | 83.8 | Confident | 74 | Confident | 96 Ų | 96 | 70.1 Ų | 70.1 | 45% | 0.449 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.9 | -36.4 | 176 | -75.5 | 175.4 | -22.6 | 0 | 0 | 112.6 | K905 M906 L907 S913 | K905-Q909 WeakPolarHBondContact O-CG 3.41Å; K905-Q909 PolarHBondContact O-N 2.92Å; M906-Q909 WeakPolarHBondContact O-CB 3.2Å; M906-Q909 PolarHBondContact O-N 3.46Å; M906-Q909 VanDerWaalsContact O-N 3.16Å; L907-Q909 PolarHBondContact O-N 3.46Å; Q909-S913 PolarHBondContact O-N 3.38Å; Q909-S913 PolarHBondContact O-OG 2.99Å |
| 910 | L | 81.2 | Confident | 71.7 | Confident | 7 Ų | 7 | 75.7 Ų | 75.7 | 4% | 0.037 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -76.2 | -33.7 | 177.1 | -69.1 | 174.2 | 0 | 0 | 0 | 113 | L873 R880 L883 L887 M906 L907 H908 S913 | L873-L910 HydrophobicContact CD1-CD2 3.84Å; R880-L910 HydrophobicContact CG-CD2 4.48Å; R880-L910 VanDerWaalsContact NH2-CA 3.33Å; R880-L910 PolarHBondContact NH2-O 3.2Å; L883-L910 HydrophobicContact CB-CD1 4.46Å; L883-L910 HydrophobicContact CD2-CD1 3.85Å; L883-L910 HydrophobicContact CG-CD1 4Å; L887-L910 HydrophobicContact CD1-CD1 3.58Å; M906-L910 PolarHBondContact O-N 2.72Å; L907-L910 PolarHBondContact O-N 2.93Å; H908-L910 VanDerWaalsContact C-N 3.25Å; H908-L910 PolarHBondContact O-N 2.95Å; L910-S913 PolarHBondContact O-OG 3.19Å |
| 911 | V | 77.6 | Confident | 69.2 | Low | 60 Ų | 60 | 77.5 Ų | 77.5 | 36% | 0.364 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -75.3 | -45.6 | 177.5 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | L907 H908 S913 K914 E915 | L907-V911 WeakPolarHBondContact O-CG2 3.35Å; L907-V911 PolarHBondContact O-N 3.35Å; H908-V911 PolarHBondContact O-N 3.31Å; V911-S913 VanDerWaalsContact C-N 3.28Å; V911-S913 PolarHBondContact O-N 3.48Å; V911-K914 WeakPolarHBondContact O-CA 3.33Å; V911-K914 WeakPolarHBondContact O-CB 3.28Å; V911-K914 PolarHBondContact O-N 3.44Å; V911-E915 PolarHBondContact O-N 2.88Å |
| 912 | D | 69.6 | Low | 66.8 | Low | 84 Ų | 84 | 74.1 Ų | 74.1 | 45% | 0.449 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.9 | -34.8 | -179.5 | -76.8 | -4.8 | 0 | 0 | 0 | 112.6 | H908 K914 E915 Q916 | H908-D912 WeakPolarHBondContact O-CB 3.26Å; H908-D912 PolarHBondContact O-N 3.02Å; D912-K914 VanDerWaalsContact C-N 3.3Å; D912-E915 PolarHBondContact O-N 3.22Å; D912-Q916 PolarHBondContact O-N 2.89Å; D912-Q916 VanDerWaalsContact O-N 3.09Å |
| 913 | S | 59.8 | Low | 64.4 | Low | 43 Ų | 43 | 77 Ų | 77 | 30% | 0.301 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -74.6 | -19.9 | 176.2 | 40.4 | 0 | 0 | 0 | 0 | 113.1 | R880 Q909 L910 V911 A917 | R880-S913 PolarHBondContact NH2-OG 3.34Å; Q909-S913 PolarHBondContact O-N 3.38Å; Q909-S913 PolarHBondContact O-OG 2.99Å; L910-S913 PolarHBondContact O-OG 3.19Å; V911-S913 VanDerWaalsContact C-N 3.28Å; V911-S913 PolarHBondContact O-N 3.48Å; S913-A917 PolarHBondContact O-N 3Å |
| 914 | K | 55.9 | Low | 61.9 | Low | 86 Ų | 86 | 84.1 Ų | 84.1 | 37% | 0.374 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -71 | -41.7 | 168.4 | -155.3 | 169.8 | -174 | 165.5 | 0 | 110.3 | D881 V911 D912 A917 V918 | D881-K914 IonicContact OD1-NZ 3.22Å; D881-K914 PolarHBondContact OD1-NZ 3.16Å; D881-K914 IonicContact OD2-NZ 2.72Å; D881-K914 PolarHBondContact OD2-NZ 2.85Å; V911-K914 WeakPolarHBondContact O-CA 3.33Å; V911-K914 WeakPolarHBondContact O-CB 3.28Å; V911-K914 PolarHBondContact O-N 3.44Å; D912-K914 VanDerWaalsContact C-N 3.3Å; K914-A917 PolarHBondContact O-N 3.23Å; K914-V918 WeakPolarHBondContact O-CG2 3.43Å; K914-V918 PolarHBondContact O-N 3.49Å |
| 915 | E | 53.3 | Low | 59.1 | Low | 127 Ų | 127 | 88.7 Ų | 88.7 | 59% | 0.593 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.7 | -39.4 | 177.1 | -64.9 | -171.8 | 166.1 | 0 | 0 | 113 | V911 D912 A917 V918 V919 | V911-E915 PolarHBondContact O-N 2.88Å; D912-E915 PolarHBondContact O-N 3.22Å; E915-A917 VanDerWaalsContact C-N 3.34Å; E915-A917 PolarHBondContact O-N 3.04Å; E915-V918 PolarHBondContact O-N 3.19Å; E915-V919 WeakPolarHBondContact O-CG2 3.47Å; E915-V919 PolarHBondContact O-N 3.29Å |
| 916 | Q | 49.9 | Very low | 56.6 | Low | 137 Ų | 137 | 88.7 Ų | 88.7 | 64% | 0.64 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.4 | -27.7 | 175.9 | -76.1 | 172.7 | -1.6 | 0 | 0 | 113.9 | D912 N920 | D912-Q916 PolarHBondContact O-N 2.89Å; D912-Q916 VanDerWaalsContact O-N 3.09Å; Q916-N920 PolarHBondContact O-ND2 2.99Å |
| 917 | A | 48.9 | Very low | 53.9 | Low | 60 Ų | 60 | 96.7 Ų | 96.7 | 50% | 0.496 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -74 | -39.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | S913 K914 E915 N920 A921 | S913-A917 PolarHBondContact O-N 3Å; K914-A917 PolarHBondContact O-N 3.23Å; E915-A917 VanDerWaalsContact C-N 3.34Å; E915-A917 PolarHBondContact O-N 3.04Å; A917-N920 PolarHBondContact O-N 2.84Å; A917-A921 PolarHBondContact O-N 3.44Å; A917-A921 VanDerWaalsContact O-N 3.15Å |
| 918 | V | 47.7 | Very low | 51.3 | Low | 94 Ų | 94 | 102.9 Ų | 102.9 | 57% | 0.57 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.5 | -37.2 | 178.9 | 175.3 | 0 | 0 | 0 | 0 | 112 | K914 E915 N920 A921 S922 | K914-V918 WeakPolarHBondContact O-CG2 3.43Å; K914-V918 PolarHBondContact O-N 3.49Å; E915-V918 PolarHBondContact O-N 3.19Å; V918-N920 VanDerWaalsContact C-N 3.33Å; V918-N920 PolarHBondContact O-N 3.47Å; V918-A921 PolarHBondContact O-N 2.68Å; V918-S922 PolarHBondContact O-N 3.42Å; V918-S922 VanDerWaalsContact O-N 3.08Å |
| 919 | V | 44.3 | Very low | 48.6 | Very low | 97 Ų | 97 | 103.4 Ų | 103.4 | 59% | 0.588 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.6 | -32.2 | 177.3 | 175.4 | 0 | 0 | 0 | 0 | 112.5 | E915 S922 | E915-V919 WeakPolarHBondContact O-CG2 3.47Å; E915-V919 PolarHBondContact O-N 3.29Å; V919-S922 PolarHBondContact O-OG 2.87Å |
| 920 | N | 39.4 | Very low | 46 | Very low | 121 Ų | 121 | 106 Ų | 106 | 65% | 0.647 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -79.5 | -29.8 | 176.7 | -72.2 | -27.9 | 0 | 0 | 0 | 112.6 | Q916 A917 V918 | Q916-N920 PolarHBondContact O-ND2 2.99Å; A917-N920 PolarHBondContact O-N 2.84Å; V918-N920 VanDerWaalsContact C-N 3.33Å; V918-N920 PolarHBondContact O-N 3.47Å |
| 921 | A | 38.3 | Very low | 43.4 | Very low | 73 Ų | 73 | 110.1 Ų | 110.1 | 60% | 0.603 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -74.4 | -31.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A917 V918 A923 | A917-A921 PolarHBondContact O-N 3.44Å; A917-A921 VanDerWaalsContact O-N 3.15Å; V918-A921 PolarHBondContact O-N 2.68Å; A921-A923 VanDerWaalsContact C-N 3.26Å; A921-A923 PolarHBondContact O-N 2.97Å |
| 922 | S | 38.8 | Very low | 41 | Very low | 93 Ų | 93 | 114.5 Ų | 114.5 | 65% | 0.65 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -7.3 | 178.3 | 77 | 0 | 0 | 0 | 0 | 114.5 | V918 V919 | V918-S922 PolarHBondContact O-N 3.42Å; V918-S922 VanDerWaalsContact O-N 3.08Å; V919-S922 PolarHBondContact O-OG 2.87Å |
| 923 | A | 36.6 | Very low | 39 | Very low | 79 Ų | 79 | 119 Ų | 119 | 65% | 0.653 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -0.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A921 | A921-A923 VanDerWaalsContact C-N 3.26Å; A921-A923 PolarHBondContact O-N 2.97Å |
| 924 | L | 39.9 | Very low | 37.5 | Very low | 150 Ų | 150 | 121.4 Ų | 121.4 | 79% | 0.785 | 70% | 0.704 | S | S | * | * | trans | -122.2 | 76.5 | 179.2 | -72.2 | 165.8 | 0 | 0 | 0 | 110.6 | ||||
| 925 | Q | 29.6 | Very low | 36.3 | Very low | 180 Ų | 180 | 121.4 Ų | 121.4 | 84% | 0.841 | 72% | 0.72 | S | S | * | * | trans | -119.6 | 125.1 | 152.8 | -79.2 | -169.5 | -14.1 | 0 | 0 | 108.8 | ||||
| 926 | P | 35.3 | Very low | 35 | Very low | 126 Ų | 126 | 121.5 Ų | 121.5 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | trans | -82.9 | 129.7 | 178.5 | 22.8 | -13 | 0 | 0 | 0 | 110.3 | ||||
| 927 | L | 29 | Very low | 34 | Very low | 173 Ų | 173 | 123.8 Ų | 123.8 | 91% | 0.906 | 74% | 0.74 | S | S | * | * | trans | -92.5 | 109.8 | 162.5 | -80.6 | 165.2 | 0 | 0 | 0 | 108.1 | ||||
| 928 | D | 32.3 | Very low | 33.1 | Very low | 159 Ų | 159 | 128 Ų | 128 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | trans | -75.2 | 127 | 169.1 | -107.2 | -30.2 | 0 | 0 | 0 | 110.6 | ||||
| 929 | V | 29.7 | Very low | 32.6 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | trans | -147.8 | 102.4 | 151.7 | -135.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 930 | N | 29.1 | Very low | 31.8 | Very low | 150 Ų | 150 | 128.5 Ų | 128.5 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | trans | 43.6 | 121.6 | 140.2 | -71.1 | -18.2 | 0 | 0 | 0 | 121.2 | ||||
| 931 | A | 26.8 | Very low | 31.2 | Very low | 93 Ų | 93 | 132.3 Ų | 132.3 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | 141.5 | 112.2 | 99.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 932 | D | 26.8 | Very low | 30.7 | Very low | 152 Ų | 152 | 133.4 Ų | 133.4 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | 62.6 | 133.3 | 132.9 | -91.5 | -23.9 | 0 | 0 | 0 | 125.1 | ||||
| 933 | E | 28.3 | Very low | 30.1 | Very low | 178 Ų | 178 | 134.4 Ų | 134.4 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | 90.7 | 121.9 | 138.4 | -78.9 | -172.4 | 159.7 | 0 | 0 | 123.2 | ||||
| 934 | A | 27.8 | Very low | 29.6 | Very low | 94 Ų | 94 | 140 Ų | 140 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | trans | 100.8 | 87.8 | 136.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 935 | A | 29.6 | Very low | 28.9 | Very low | 87 Ų | 87 | 145 Ų | 145 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | 30.5 | 126.2 | 119.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 936 | T | 27.8 | Very low | 28.8 | Very low | 129 Ų | 129 | 142.3 Ų | 142.3 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | 155.2 | 134.7 | 105.3 | 41.4 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 937 | E | 28.9 | Very low | 28.3 | Very low | 184 Ų | 184 | 146 Ų | 146 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | 57.4 | 114.4 | 142.1 | -61.4 | -167.1 | 168.2 | 0 | 0 | 122.8 | ||||
| 938 | D | 29.2 | Very low | 28.2 | Very low | 150 Ų | 150 | 149.6 Ų | 149.6 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | -67.9 | 152.6 | 141.1 | -138.1 | -0.7 | 0 | 0 | 0 | 108.4 | ||||
| 939 | P | 37.7 | Very low | 27.8 | Very low | 105 Ų | 105 | 145.7 Ų | 145.7 | 68% | 0.682 | 80% | 0.799 | S | S | * | * | -156.2 | 162.9 | 51.6 | 38.4 | -14.7 | 0 | 0 | 0 | 119.1 | |||||
| 940 | S | 26.7 | Very low | 27.7 | Very low | 96 Ų | 96 | 149.1 Ų | 149.1 | 67% | 0.671 | 81% | 0.806 | S | S | * | * | trans | 67.2 | 122.7 | 143.4 | 75 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 941 | K | 27.8 | Very low | 27.5 | Very low | 201 Ų | 201 | 153.2 Ų | 153.2 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | 173.5 | 139.7 | 114.7 | -96.5 | 173.1 | -177.3 | 171.7 | 0 | 113.5 | |||||
| 942 | S | 26.5 | Very low | 27.5 | Very low | 95 Ų | 95 | 158.4 Ų | 158.4 | 66% | 0.664 | 82% | 0.816 | S | S | * | * | trans | -46.8 | 150.7 | 168.6 | 58.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 943 | T | 25.8 | Very low | 27.5 | Very low | 115 Ų | 115 | 156.5 Ų | 156.5 | 71% | 0.706 | 82% | 0.821 | S | S | * | * | 176.1 | 137 | 108.2 | 29.2 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 944 | K | 26.3 | Very low | 27.3 | Very low | 195 Ų | 195 | 153.4 Ų | 153.4 | 85% | 0.848 | 82% | 0.819 | S | S | * | * | trans | 68.9 | 103.2 | 139 | -66.2 | 172.5 | -178.8 | 179.7 | 0 | 120.2 | ||||
| 945 | R | 26.3 | Very low | 27.3 | Very low | 256 Ų | 256 | 155.7 Ų | 155.7 | 97% | 0.966 | 82% | 0.824 | S | S | * | * | trans | -94.3 | 137.3 | 150.5 | -84.2 | -179.2 | 167.6 | -179.7 | -3 | 110.8 | ||||
| 946 | P | 26.5 | Very low | 27.2 | Very low | 124 Ų | 124 | 156.5 Ų | 156.5 | 81% | 0.805 | 83% | 0.83 | S | S | * | * | trans | -116.3 | 151.2 | 149.6 | 26.7 | -10.6 | 0 | 0 | 0 | 113.3 | ||||
| 947 | K | 26 | Very low | 27.1 | Very low | 203 Ų | 203 | 160.3 Ų | 160.3 | 88% | 0.883 | 84% | 0.836 | S | S | * | * | trans | -54.4 | 161.5 | 174.9 | -62.7 | 165.7 | 171.9 | 174.8 | 0 | 111.6 | ||||
| 948 | R | 25.6 | Very low | 27 | Very low | 248 Ų | 248 | 155.4 Ų | 155.4 | 94% | 0.936 | 84% | 0.835 | S | S | * | * | -180 | 148.9 | 51 | -162.7 | 177.2 | -174.7 | 178.7 | 0.5 | 109.2 | |||||
| 949 | G | 24.8 | Very low | 26.8 | Very low | 78 Ų | 78 | 152 Ų | 152 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | trans | 161.1 | 68.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 950 | Q | 27.2 | Very low | 26.4 | Very low | 198 Ų | 198 | 159 Ų | 159 | 93% | 0.925 | 85% | 0.848 | S | S | * | * | trans | -72.9 | 132.3 | 165.1 | -82.3 | 174.5 | -38.5 | 0 | 0 | 110.9 | ||||
| 951 | R | 26.1 | Very low | 26.3 | Very low | 237 Ų | 237 | 166.2 Ų | 166.2 | 89% | 0.894 | 86% | 0.86 | S | S | * | * | trans | -156 | 120.1 | 146.5 | -110.7 | 179.7 | 179.7 | -171.3 | -0.2 | 111.3 | ||||
| 952 | K | 25.9 | Very low | 26.5 | Very low | 201 Ų | 201 | 162.4 Ų | 162.4 | 87% | 0.874 | 86% | 0.856 | S | S | * | * | trans | 41.4 | 115.7 | 149.1 | -70.8 | -177.7 | 172.2 | -176.1 | 0 | 119.9 | ||||
| 953 | A | 26.1 | Very low | 26.4 | Very low | 112 Ų | 112 | 163.7 Ų | 163.7 | 93% | 0.926 | 87% | 0.865 | S | S | * | * | trans | -68.3 | 135.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 954 | S | 25.6 | Very low | 26.5 | Very low | 113 Ų | 113 | 170 Ų | 170 | 79% | 0.79 | 88% | 0.876 | S | S | * | * | trans | -132.5 | 140.8 | 165.2 | 56.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 955 | T | 27.3 | Very low | 26.6 | Very low | 143 Ų | 143 | 170.9 Ų | 170.9 | 88% | 0.877 | 88% | 0.88 | S | S | * | * | trans | -41.4 | 125.5 | -179.8 | 47 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 956 | A | 26.8 | Very low | 26.6 | Very low | 103 Ų | 103 | 163.7 Ų | 163.7 | 85% | 0.851 | 88% | 0.876 | S | S | * | * | trans | -95.7 | 126 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 957 | K | 26.9 | Very low | 26.8 | Very low | 210 Ų | 210 | 167 Ų | 167 | 91% | 0.913 | 88% | 0.88 | S | S | * | * | trans | -69.4 | 126.4 | 174.6 | -71 | 171.1 | 173 | 174.5 | 0 | 110.6 | ||||
| 958 | G | 26.3 | Very low | 26.9 | Very low | 81 Ų | 81 | 162.7 Ų | 162.7 | 84% | 0.835 | 88% | 0.876 | S | S | * | * | trans | -80.7 | 112.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 959 | G | 24.9 | Very low | 26.9 | Very low | 79 Ų | 79 | 156.1 Ų | 156.1 | 81% | 0.814 | 87% | 0.868 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 119.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 960 | R | 28.1 | Very low | 27.2 | Very low | 251 Ų | 251 | 161.3 Ų | 161.3 | 95% | 0.947 | 87% | 0.871 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 125.3 | 166 | -82.9 | 178.3 | 169.7 | 175.2 | -3.6 | 109.5 | ||
| 961 | R | 26.3 | Very low | 27.3 | Very low | 247 Ų | 247 | 161.1 Ų | 161.1 | 93% | 0.932 | 87% | 0.87 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 144 | 163.7 | -85.5 | -177.6 | 171.5 | 178.4 | -2.1 | 110.2 | ||
| 962 | P | 30.9 | Very low | 27.6 | Very low | 122 Ų | 122 | 154.7 Ų | 154.7 | 79% | 0.792 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 142.6 | 179.8 | 34.9 | -30.3 | 0 | 0 | 0 | 112.4 | ||
| 963 | S | 24.8 | Very low | 27.6 | Very low | 122 Ų | 122 | 152.6 Ų | 152.6 | 85% | 0.853 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 134.2 | 170.4 | 69.9 | 0 | 0 | 0 | 0 | 111.2 | ||
| 964 | R | 27.3 | Very low | 27.8 | Very low | 247 Ų | 247 | 150.8 Ų | 150.8 | 93% | 0.932 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 139.6 | 176.3 | -71.5 | 169.2 | 166.3 | 168.2 | -6.6 | 112.5 | ||
| 965 | K | 28.9 | Very low | 28 | Very low | 213 Ų | 213 | 154.4 Ų | 154.4 | 93% | 0.926 | 86% | 0.857 | S | S | * | * | trans | -131 | 133.6 | 152.5 | -97.4 | -172.4 | 175.1 | -175.2 | 0 | 108.5 | ||||
| 966 | A | 27 | Very low | 28.3 | Very low | 106 Ų | 106 | 155.9 Ų | 155.9 | 88% | 0.876 | 86% | 0.859 | S | S | * | * | trans | -84.4 | 155.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 967 | E | 30 | Very low | 28.6 | Very low | 193 Ų | 193 | 156.9 Ų | 156.9 | 90% | 0.902 | 86% | 0.855 | S | S | * | * | trans | -82.7 | 146.8 | 177.7 | -64.8 | 170 | 149.1 | 0 | 0 | 112.8 | ||||
| 968 | S | 27.5 | Very low | 28.8 | Very low | 113 Ų | 113 | 152.7 Ų | 152.7 | 79% | 0.79 | 85% | 0.849 | S | S | * | * | trans | 159.5 | 151 | 137.1 | 75.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 969 | S | 26 | Very low | 29 | Very low | 110 Ų | 110 | 158 Ų | 158 | 77% | 0.769 | 85% | 0.852 | S | S | * | * | cis | -171.5 | 150.4 | -7.6 | 39.5 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 970 | E | 32.5 | Very low | 29.2 | Very low | 187 Ų | 187 | 159.6 Ų | 159.6 | 87% | 0.874 | 85% | 0.85 | S | S | * | * | trans | -74.9 | 139.6 | 175.8 | -62.7 | 173 | 150.9 | 0 | 0 | 111.3 | ||||
| 971 | E | 29.1 | Very low | 29.5 | Very low | 194 Ų | 194 | 153.5 Ų | 153.5 | 91% | 0.907 | 84% | 0.841 | S | S | * | * | 170.7 | 134.3 | 125.9 | -94.4 | -177.2 | 173.5 | 0 | 0 | 113.4 | |||||
| 972 | S | 30.8 | Very low | 29.7 | Very low | 102 Ų | 102 | 146.7 Ų | 146.7 | 71% | 0.713 | 83% | 0.829 | S | S | * | * | trans | 19.6 | 127.9 | 155.1 | -148.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 973 | D | 27.3 | Very low | 29.8 | Very low | 156 Ų | 156 | 147.7 Ų | 147.7 | 83% | 0.834 | 83% | 0.832 | S | S | * | * | -176 | 142.1 | 98.1 | -95.4 | -14.6 | 0 | 0 | 0 | 111.9 | |||||
| 974 | G | 30.7 | Very low | 30.2 | Very low | 75 Ų | 75 | 147.9 Ų | 147.9 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | trans | -90.2 | 138.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 975 | E | 29 | Very low | 30.6 | Very low | 189 Ų | 189 | 147.4 Ų | 147.4 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | trans | -134 | 124.4 | 151.6 | -80.8 | -168.6 | 151.9 | 0 | 0 | 109.4 | V977 | E975-V977 PolarHBondContact O-N 3.38Š| ||
| 976 | N | 32.9 | Very low | 30.8 | Very low | 173 Ų | 173 | 140.7 Ų | 140.7 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | trans | -65.2 | 122.2 | 175 | -79.7 | -48.2 | 0 | 0 | 0 | 110.6 | ||||
| 977 | V | 32.8 | Very low | 31.8 | Very low | 125 Ų | 125 | 139.2 Ų | 139.2 | 76% | 0.758 | 79% | 0.79 | S | S | * | * | trans | -122.8 | 133 | 159.5 | -178.2 | 0 | 0 | 0 | 0 | 107.4 | E975 E979 | E975-V977 PolarHBondContact O-N 3.38Å; V977-E979 PolarHBondContact O-N 2.6Å | ||
| 978 | P | 31.3 | Very low | 32.3 | Very low | 122 Ų | 122 | 140 Ų | 140 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 131.3 | -174.6 | -16.4 | 28.7 | 0 | 0 | 0 | 111.5 | S980 | P978-S980 PolarHBondContact O-N 2.69Š|
| 979 | E | 30.3 | Very low | 33.1 | Very low | 192 Ų | 192 | 144.8 Ų | 144.8 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 123.9 | 170.2 | -79.6 | -179 | 146.4 | 0 | 0 | 110.1 | V977 V981 | V977-E979 PolarHBondContact O-N 2.6Å; E979-V981 PolarHBondContact O-N 3.46Å |
| 980 | S | 30.1 | Very low | 33.9 | Very low | 112 Ų | 112 | 142 Ų | 142 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 120.4 | 164.2 | 45.4 | 0 | 0 | 0 | 0 | 108 | P978 | P978-S980 PolarHBondContact O-N 2.69Š|
| 981 | V | 34.8 | Very low | 34.4 | Very low | 124 Ų | 124 | 139.6 Ų | 139.6 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 126.1 | 175.4 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | E979 V983 | E979-V981 PolarHBondContact O-N 3.46Å; V981-V983 PolarHBondContact O-N 3.28Å; V981-V983 VanDerWaalsContact O-N 3.13Å |
| 982 | P | 30.9 | Very low | 35.3 | Very low | 104 Ų | 104 | 135.4 Ų | 135.4 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 118.4 | 174.3 | 14.8 | -13.6 | 0 | 0 | 0 | 108.5 | V984 | P982-V984 PolarHBondContact O-N 2.66Š|
| 983 | V | 31.9 | Very low | 36.1 | Very low | 142 Ų | 142 | 133.4 Ų | 133.4 | 86% | 0.861 | 73% | 0.727 | S | S | * | * | trans | -61.6 | 106.6 | 169.9 | 177.7 | 0 | 0 | 0 | 0 | 107.4 | V981 R985 | V981-V983 PolarHBondContact O-N 3.28Å; V981-V983 VanDerWaalsContact O-N 3.13Å; V983-R985 PolarHBondContact O-N 3.19Å; V983-R985 VanDerWaalsContact O-N 3.12Å | ||
| 984 | V | 33.6 | Very low | 36.8 | Very low | 126 Ų | 126 | 128.5 Ų | 128.5 | 76% | 0.764 | 71% | 0.709 | S | S | * | * | trans | -61.4 | 111.8 | 177 | 176.1 | 0 | 0 | 0 | 0 | 108.4 | P982 S986 | P982-V984 PolarHBondContact O-N 2.66Å; V984-S986 PolarHBondContact O-N 2.99Å | ||
| 985 | R | 34.6 | Very low | 37.3 | Very low | 237 Ų | 237 | 130.3 Ų | 130.3 | 89% | 0.894 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 118.4 | 162 | -96.3 | -178.6 | 173 | 177.1 | -2.7 | 107.8 | V983 S987 | V983-R985 PolarHBondContact O-N 3.19Å; V983-R985 VanDerWaalsContact O-N 3.12Å; R985-S987 PolarHBondContact O-N 3.33Å |
| 986 | S | 34.1 | Very low | 38.2 | Very low | 73 Ų | 73 | 128.3 Ų | 128.3 | 51% | 0.51 | 69% | 0.691 | S | S | . | * | P | Polyproline II helix | trans | -55.5 | 128.8 | 173.2 | 58.1 | 0 | 0 | 0 | 0 | 110.2 | V984 | V984-S986 PolarHBondContact O-N 2.99Š|
| 987 | S | 47.6 | Very low | 38.7 | Very low | 75 Ų | 75 | 129.2 Ų | 129.2 | 52% | 0.524 | 69% | 0.686 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 151.3 | 178.7 | 72.3 | 0 | 0 | 0 | 0 | 111.8 | R985 R989 A990 K991 | R985-S987 PolarHBondContact O-N 3.33Å; S987-R989 PolarHBondContact O-N 3.09Å; S987-A990 WeakPolarHBondContact O-CB 3.42Å; S987-A990 PolarHBondContact O-N 3.35Å; S987-K991 PolarHBondContact O-N 3.45Å |
| 988 | R | 40 | Very low | 39 | Very low | 208 Ų | 208 | 128.4 Ų | 128.4 | 79% | 0.785 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -52.1 | -26.9 | 176.8 | -145.6 | 176 | -169.5 | 179 | 2.2 | 112.4 | I992 | R988-I992 WeakPolarHBondContact O-CG1 3.44Å; R988-I992 PolarHBondContact O-N 3.22Å |
| 989 | R | 43.9 | Very low | 39.4 | Very low | 215 Ų | 215 | 130.4 Ų | 130.4 | 81% | 0.811 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -72.9 | -34.1 | 176.7 | -158.5 | 174.9 | -173.3 | -178.3 | 1 | 113.3 | S987 A993 | S987-R989 PolarHBondContact O-N 3.09Å; R989-A993 PolarHBondContact O-N 3.36Å; R989-A993 VanDerWaalsContact O-N 3.16Å |
| 990 | A | 43.7 | Very low | 39.9 | Very low | 50 Ų | 50 | 128.5 Ų | 128.5 | 41% | 0.413 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -72.4 | -32.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S987 A994 | S987-A990 WeakPolarHBondContact O-CB 3.42Å; S987-A990 PolarHBondContact O-N 3.35Å; A990-A994 WeakPolarHBondContact O-CB 3.42Å; A990-A994 PolarHBondContact O-N 3.33Å |
| 991 | K | 42.3 | Very low | 40.4 | Very low | 138 Ų | 138 | 128.1 Ų | 128.1 | 60% | 0.6 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -68.5 | -40.9 | 173.1 | -91.4 | -173.3 | 170.6 | -169.4 | 0 | 112.7 | S987 A994 L995 | S987-K991 PolarHBondContact O-N 3.45Å; K991-A994 PolarHBondContact O-N 3.44Å; K991-L995 WeakPolarHBondContact O-CB 3.43Å; K991-L995 PolarHBondContact O-N 2.89Å |
| 992 | I | 49.7 | Very low | 40.6 | Very low | 106 Ų | 106 | 127 Ų | 127 | 54% | 0.544 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -66.3 | -42 | 176.6 | -66.4 | 166.9 | 0 | 0 | 0 | 111 | R988 A994 L995 E996 | R988-I992 WeakPolarHBondContact O-CG1 3.44Å; R988-I992 PolarHBondContact O-N 3.22Å; I992-A994 VanDerWaalsContact C-N 3.31Å; I992-A994 PolarHBondContact O-N 3.15Å; I992-L995 PolarHBondContact O-N 3.12Å; I992-E996 PolarHBondContact O-N 3.22Å |
| 993 | A | 47.6 | Very low | 41.2 | Very low | 60 Ų | 60 | 126.8 Ų | 126.8 | 50% | 0.496 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -68.5 | -26.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R989 K997 | R989-A993 PolarHBondContact O-N 3.36Å; R989-A993 VanDerWaalsContact O-N 3.16Å; A993-K997 PolarHBondContact O-N 3.3Å |
| 994 | A | 41.6 | Very low | 41.6 | Very low | 53 Ų | 53 | 123.5 Ų | 123.5 | 44% | 0.438 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -78.2 | -35.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A990 K991 I992 K997 T998 | A990-A994 WeakPolarHBondContact O-CB 3.42Å; A990-A994 PolarHBondContact O-N 3.33Å; K991-A994 PolarHBondContact O-N 3.44Å; I992-A994 VanDerWaalsContact C-N 3.31Å; I992-A994 PolarHBondContact O-N 3.15Å; A994-K997 PolarHBondContact O-N 3.17Å; A994-T998 PolarHBondContact O-N 3.46Å; A994-T998 PolarHBondContact O-OG1 3.11Å |
| 995 | L | 41.1 | Very low | 41.9 | Very low | 112 Ų | 112 | 122.8 Ų | 122.8 | 59% | 0.586 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -68.3 | -31.8 | 174.7 | -100.4 | 146.6 | 0 | 0 | 0 | 113.2 | K991 I992 T998 | K991-L995 WeakPolarHBondContact O-CB 3.43Å; K991-L995 PolarHBondContact O-N 2.89Å; I992-L995 PolarHBondContact O-N 3.12Å; L995-T998 PolarHBondContact O-OG1 3.31Å |
| 996 | E | 47 | Very low | 42.3 | Very low | 148 Ų | 148 | 116.8 Ų | 116.8 | 69% | 0.692 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -73.7 | -27.1 | 170.7 | -74.8 | -148.3 | 155.3 | 0 | 0 | 113.1 | I992 T998 | I992-E996 PolarHBondContact O-N 3.22Å; E996-T998 VanDerWaalsContact C-N 3.33Å |
| 997 | K | 43.1 | Very low | 42.7 | Very low | 191 Ų | 191 | 118.6 Ų | 118.6 | 83% | 0.83 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -77.4 | -14 | 175.7 | -82.8 | -174.3 | 175.1 | -175.4 | 0 | 114.3 | A993 A994 | A993-K997 PolarHBondContact O-N 3.3Å; A994-K997 PolarHBondContact O-N 3.17Å |
| 998 | T | 40.6 | Very low | 42.3 | Very low | 108 Ų | 108 | 122 Ų | 122 | 66% | 0.663 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -104.9 | -3.9 | 177.9 | 48.2 | 0 | 0 | 0 | 0 | 114.1 | A994 L995 E996 L1000 | A994-T998 PolarHBondContact O-N 3.46Å; A994-T998 PolarHBondContact O-OG1 3.11Å; L995-T998 PolarHBondContact O-OG1 3.31Å; E996-T998 VanDerWaalsContact C-N 3.33Å; T998-L1000 PolarHBondContact O-N 2.93Å; T998-L1000 VanDerWaalsContact O-N 3.16Å |
| 999 | K | 39.7 | Very low | 42.2 | Very low | 165 Ų | 165 | 120.6 Ų | 120.6 | 72% | 0.717 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -74.9 | 101.1 | 163.7 | -77.1 | -176.4 | 177.3 | -178 | 0 | 108.1 | D1001 | K999-D1001 PolarHBondContact O-N 3.4Š|
| 1000 | L | 40 | Very low | 42.1 | Very low | 151 Ų | 151 | 114.2 Ų | 114.2 | 79% | 0.791 | 61% | 0.609 | S | S | * | * | trans | -55.7 | 109.6 | 160 | -91.3 | 145.3 | 0 | 0 | 0 | 107.2 | T998 L1002 | T998-L1000 PolarHBondContact O-N 2.93Å; T998-L1000 VanDerWaalsContact O-N 3.16Å; L1000-L1002 PolarHBondContact O-N 3.25Å | ||
| 1001 | D | 41.2 | Very low | 41.8 | Very low | 104 Ų | 104 | 118.9 Ų | 118.9 | 56% | 0.556 | 63% | 0.627 | S | S | * | * | trans | -64.4 | 104.1 | 168.4 | -172.3 | 4.2 | 0 | 0 | 0 | 107.2 | K999 N1003 P1004 | K999-D1001 PolarHBondContact O-N 3.4Å; D1001-N1003 VanDerWaalsContact C-N 3.31Å; D1001-N1003 VanDerWaalsContact OD1-CB 3.27Å; D1001-N1003 WeakPolarHBondContact OD1-CB 3.29Å; D1001-N1003 PolarHBondContact OD1-N 2.99Å; D1001-N1003 PolarHBondContact OD1-ND2 3.21Å; D1001-P1004 WeakPolarHBondContact O-CD 3.49Å | ||
| 1002 | L | 38.9 | Very low | 41.7 | Very low | 101 Ų | 101 | 117.9 Ų | 117.9 | 53% | 0.529 | 63% | 0.632 | S | S | . | * | trans | -85.5 | -4.3 | -179.5 | -72.4 | 167.1 | 0 | 0 | 0 | 112.3 | L1000 P1004 L1005 I1006 | L1000-L1002 PolarHBondContact O-N 3.25Å; L1002-P1004 VanDerWaalsContact C-N 3.33Å; L1002-L1005 HydrophobicContact CD2-CD1 3.76Å; L1002-L1005 PolarHBondContact O-N 3.23Å; L1002-L1005 VanDerWaalsContact O-N 3.11Å; L1002-I1006 PolarHBondContact O-N 2.66Å; L1002-I1006 VanDerWaalsContact O-N 3.17Å | ||
| 1003 | N | 43.6 | Very low | 41.1 | Very low | 99 Ų | 99 | 122.2 Ų | 122.2 | 53% | 0.529 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -59.5 | -31.4 | 176.3 | -65 | -45.8 | 0 | 0 | 0 | 114.6 | D1001 L1005 N1007 | D1001-N1003 VanDerWaalsContact C-N 3.31Å; D1001-N1003 VanDerWaalsContact OD1-CB 3.27Å; D1001-N1003 WeakPolarHBondContact OD1-CB 3.29Å; D1001-N1003 PolarHBondContact OD1-N 2.99Å; D1001-N1003 PolarHBondContact OD1-ND2 3.21Å; N1003-L1005 VanDerWaalsContact C-N 3.32Å; N1003-L1005 PolarHBondContact O-N 3.41Å; N1003-N1007 WeakPolarHBondContact O-CB 3.44Å; N1003-N1007 PolarHBondContact O-N 3.35Å; N1003-N1007 VanDerWaalsContact O-N 3.16Å; N1003-N1007 PolarHBondContact O-ND2 3.35Å |
| 1004 | P | 40.6 | Very low | 40.8 | Very low | 73 Ų | 73 | 125.3 Ų | 125.3 | 47% | 0.474 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -70.5 | -25.2 | 174.6 | -15.7 | 30.4 | 0 | 0 | 0 | 113.6 | D1001 L1002 Q1008 | D1001-P1004 WeakPolarHBondContact O-CD 3.49Å; L1002-P1004 VanDerWaalsContact C-N 3.33Å; P1004-Q1008 WeakPolarHBondContact O-CG 3.33Å |
| 1005 | L | 39.4 | Very low | 40.7 | Very low | 111 Ų | 111 | 129.1 Ų | 129.1 | 58% | 0.581 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -80.2 | -37.7 | 176.3 | -81.7 | 157.5 | 0 | 0 | 0 | 111.3 | L1002 N1003 N1007 Q1008 | L1002-L1005 HydrophobicContact CD2-CD1 3.76Å; L1002-L1005 PolarHBondContact O-N 3.23Å; L1002-L1005 VanDerWaalsContact O-N 3.11Å; N1003-L1005 VanDerWaalsContact C-N 3.32Å; N1003-L1005 PolarHBondContact O-N 3.41Å; L1005-N1007 VanDerWaalsContact C-N 3.33Å; L1005-N1007 PolarHBondContact O-N 3.08Å; L1005-Q1008 PolarHBondContact O-N 3.37Å |
| 1006 | I | 42.1 | Very low | 40.7 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 57% | 0.574 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -69.8 | -30.9 | 177.7 | -65.3 | 170.2 | 0 | 0 | 0 | 111.5 | L1002 | L1002-I1006 PolarHBondContact O-N 2.66Å; L1002-I1006 VanDerWaalsContact O-N 3.17Å |
| 1007 | N | 42.6 | Very low | 40.3 | Very low | 110 Ų | 110 | 129 Ų | 129 | 59% | 0.588 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -3.4 | 178.6 | -70.8 | -32 | 0 | 0 | 0 | 114.6 | N1003 L1005 | N1003-N1007 WeakPolarHBondContact O-CB 3.44Å; N1003-N1007 PolarHBondContact O-N 3.35Å; N1003-N1007 VanDerWaalsContact O-N 3.16Å; N1003-N1007 PolarHBondContact O-ND2 3.35Å; L1005-N1007 VanDerWaalsContact C-N 3.33Å; L1005-N1007 PolarHBondContact O-N 3.08Å |
| 1008 | Q | 38.8 | Very low | 40.1 | Very low | 147 Ų | 147 | 125.1 Ų | 125.1 | 69% | 0.687 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -18.5 | 176.3 | -85.8 | -175.5 | -6.2 | 0 | 0 | 114.1 | P1004 L1005 | P1004-Q1008 WeakPolarHBondContact O-CG 3.33Å; L1005-Q1008 PolarHBondContact O-N 3.37Å |
| 1009 | E | 38.2 | Very low | 40.1 | Very low | 179 Ų | 179 | 126.3 Ų | 126.3 | 84% | 0.836 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -11.8 | 174.1 | -76.6 | -174.5 | 162.1 | 0 | 0 | 113.7 | ||
| 1010 | A | 42.1 | Very low | 40.1 | Very low | 80 Ų | 80 | 123.5 Ų | 123.5 | 66% | 0.661 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | 4.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1011 | N | 37.7 | Very low | 40.2 | Very low | 148 Ų | 148 | 121.4 Ų | 121.4 | 79% | 0.791 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -135.4 | 19.5 | -174.3 | -99.3 | -28.5 | 0 | 0 | 0 | 115.8 | ||
| 1012 | V | 39.3 | Very low | 40.1 | Very low | 118 Ų | 118 | 122.8 Ų | 122.8 | 72% | 0.715 | 70% | 0.695 | S | S | * | * | trans | -138.3 | 103.7 | 167.9 | -171.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1013 | S | 37.4 | Very low | 40.2 | Very low | 196 Ų | 196 | 124.8 Ų | 124.8 | 100% | 1.371 | 71% | 0.71 | S | S | * | * | trans | 73.5 | 0 | 163.9 | -49.1 | 0 | 0 | 0 | 0 | 118.4 |
Retrieved 1,013 of 1,013 residues in 1007.5 ms
(Link to these results)