| 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 | 44.7 | Very low | 60.9 | Low | 217 Ų | 217 | 115.8 Ų | 115.8 | 100% | 1.069 | 60% | 0.6 | S | S | * | * | 0 | 146.9 | 0 | -65.4 | -52.7 | -168.7 | 0 | 0 | 108 | |||||
| 2 | P | 48.7 | Very low | 62 | Low | 101 Ų | 101 | 115.4 Ų | 115.4 | 66% | 0.656 | 59% | 0.59 | S | S | * | * | trans | -86 | -19.4 | 177.7 | 32.2 | -33.2 | 0 | 0 | 0 | 114.3 | D4 R5 | P2-D4 PolarHBondContact O-N 3.29Å; P2-R5 PolarHBondContact O-N 3.36Å | ||
| 3 | G | 53.1 | Low | 62.8 | Low | 28 Ų | 28 | 110.2 Ų | 110.2 | 29% | 0.289 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -48.3 | -56.5 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | R5 D6 D7 | G3-R5 PolarHBondContact O-N 2.92Å; G3-D6 PolarHBondContact O-N 2.75Å; G3-D7 PolarHBondContact O-N 3.09Å |
| 4 | D | 56.8 | Low | 63.5 | Low | 129 Ų | 129 | 106.4 Ų | 106.4 | 69% | 0.69 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -48 | -33 | -174.4 | -45 | -16.5 | 0 | 0 | 0 | 114.1 | P2 E8 | P2-D4 PolarHBondContact O-N 3.29Å; D4-E8 PolarHBondContact O-N 3.47Å; D4-E8 VanDerWaalsContact O-N 3.12Å |
| 5 | R | 59.2 | Low | 64.1 | Low | 192 Ų | 192 | 107.5 Ų | 107.5 | 73% | 0.725 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -82.6 | -32.1 | -178.7 | -175.7 | 174.7 | 170 | -163.8 | -6.7 | 113.2 | P2 G3 I9 | P2-R5 PolarHBondContact O-N 3.36Å; G3-R5 PolarHBondContact O-N 2.92Å; R5-I9 WeakPolarHBondContact O-CD1 3.36Å; R5-I9 VanDerWaalsContact O-CG1 3.26Å; R5-I9 WeakPolarHBondContact O-CG1 3.47Å; R5-I9 PolarHBondContact O-N 2.77Å |
| 6 | D | 62.5 | Low | 64.8 | Low | 97 Ų | 97 | 107.6 Ų | 107.6 | 52% | 0.519 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -76.4 | -36.1 | 174.2 | -63.8 | -32.7 | 0 | 0 | 0 | 110 | G3 I9 C10 | G3-D6 PolarHBondContact O-N 2.75Å; D6-I9 PolarHBondContact O-N 2.97Å; D6-I9 VanDerWaalsContact O-N 3.17Å; D6-C10 PolarHBondContact O-N 3.41Å |
| 7 | D | 64.8 | Low | 65.2 | Low | 104 Ų | 104 | 106.3 Ų | 106.3 | 56% | 0.556 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62 | -44.1 | 172 | -69.9 | -39.7 | 0 | 0 | 0 | 111.8 | G3 I9 C10 Q11 | G3-D7 PolarHBondContact O-N 3.09Å; D7-I9 VanDerWaalsContact C-N 3.28Å; D7-I9 PolarHBondContact O-N 2.87Å; D7-C10 PolarHBondContact O-N 2.83Å; D7-Q11 WeakPolarHBondContact O-CB 3.31Å; D7-Q11 PolarHBondContact O-N 3.43Å |
| 8 | E | 70.5 | Confident | 65.4 | Low | 108 Ų | 108 | 103.1 Ų | 103.1 | 51% | 0.505 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -57.7 | -38.2 | 171.7 | -98.3 | -160.6 | -146.8 | 0 | 0 | 113 | D4 K12 | D4-E8 PolarHBondContact O-N 3.47Å; D4-E8 VanDerWaalsContact O-N 3.12Å; E8-K12 WeakPolarHBondContact O-CB 3.29Å; E8-K12 WeakPolarHBondContact O-CD 3.23Å; E8-K12 VanDerWaalsContact O-CG 3.31Å; E8-K12 WeakPolarHBondContact O-CG 3.5Å; E8-K12 PolarHBondContact O-N 3.22Å; E8-K12 VanDerWaalsContact O-N 3.11Å; E8-K12 IonicContact OE2-NZ 2.66Å; E8-K12 PolarHBondContact OE2-NZ 3.1Å |
| 9 | I | 72.3 | Confident | 65.8 | Low | 98 Ų | 98 | 101.1 Ų | 101.1 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71.6 | -43.1 | 179.6 | -71 | 165.2 | 0 | 0 | 0 | 110.1 | R5 D6 D7 K12 A13 | R5-I9 WeakPolarHBondContact O-CD1 3.36Å; R5-I9 VanDerWaalsContact O-CG1 3.26Å; R5-I9 WeakPolarHBondContact O-CG1 3.47Å; R5-I9 PolarHBondContact O-N 2.77Å; D6-I9 PolarHBondContact O-N 2.97Å; D6-I9 VanDerWaalsContact O-N 3.17Å; D7-I9 VanDerWaalsContact C-N 3.28Å; D7-I9 PolarHBondContact O-N 2.87Å; I9-K12 PolarHBondContact O-N 2.9Å; I9-A13 WeakPolarHBondContact O-CB 3.15Å; I9-A13 PolarHBondContact O-N 3.15Å |
| 10 | C | 66.1 | Low | 66.1 | Low | 75 Ų | 75 | 99.1 Ų | 99.1 | 51% | 0.507 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58 | -48.6 | 171.8 | -85.5 | 0 | 0 | 0 | 0 | 111.5 | D6 D7 K12 A13 L14 | D6-C10 PolarHBondContact O-N 3.41Å; D7-C10 PolarHBondContact O-N 2.83Å; C10-K12 PolarHBondContact O-N 2.86Å; C10-A13 PolarHBondContact O-N 3.35Å; C10-L14 WeakPolarHBondContact O-CB 3.02Å; C10-L14 WeakPolarHBondContact O-CD1 3.44Å; C10-L14 WeakPolarHBondContact O-CG 3.38Å; C10-L14 PolarHBondContact O-N 3.36Å |
| 11 | Q | 71.2 | Confident | 66.2 | Low | 125 Ų | 125 | 95.6 Ų | 95.6 | 58% | 0.584 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.5 | -44.1 | -179.3 | -171.8 | 168.7 | -8.8 | 0 | 0 | 112.1 | D7 L14 E15 | D7-Q11 WeakPolarHBondContact O-CB 3.31Å; D7-Q11 PolarHBondContact O-N 3.43Å; Q11-L14 PolarHBondContact O-N 2.99Å; Q11-E15 PolarHBondContact O-N 2.88Å |
| 12 | K | 74.1 | Confident | 67.3 | Low | 111 Ų | 111 | 89.2 Ų | 89.2 | 48% | 0.483 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.5 | -34.9 | 177.2 | -71.2 | 163.4 | -173.8 | 166.3 | 0 | 113 | E8 I9 C10 L14 L16 | E8-K12 WeakPolarHBondContact O-CB 3.29Å; E8-K12 WeakPolarHBondContact O-CD 3.23Å; E8-K12 VanDerWaalsContact O-CG 3.31Å; E8-K12 WeakPolarHBondContact O-CG 3.5Å; E8-K12 PolarHBondContact O-N 3.22Å; E8-K12 VanDerWaalsContact O-N 3.11Å; E8-K12 IonicContact OE2-NZ 2.66Å; E8-K12 PolarHBondContact OE2-NZ 3.1Å; I9-K12 PolarHBondContact O-N 2.9Å; C10-K12 PolarHBondContact O-N 2.86Å; K12-L14 VanDerWaalsContact C-N 3.33Å; K12-L16 PolarHBondContact O-N 3.12Å |
| 13 | A | 73.1 | Confident | 68.3 | Low | 48 Ų | 48 | 90.4 Ų | 90.4 | 40% | 0.397 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.1 | -34.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I9 C10 L17 | I9-A13 WeakPolarHBondContact O-CB 3.15Å; I9-A13 PolarHBondContact O-N 3.15Å; C10-A13 PolarHBondContact O-N 3.35Å; A13-L17 WeakPolarHBondContact O-CG 3.45Å; A13-L17 PolarHBondContact O-N 3.17Å |
| 14 | L | 71.4 | Confident | 68.8 | Low | 56 Ų | 56 | 91.7 Ų | 91.7 | 29% | 0.293 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -75.5 | -36.7 | 178.7 | -67.9 | 163.3 | 0 | 0 | 0 | 112.3 | C10 Q11 K12 L17 S18 F34 F38 | C10-L14 WeakPolarHBondContact O-CB 3.02Å; C10-L14 WeakPolarHBondContact O-CD1 3.44Å; C10-L14 WeakPolarHBondContact O-CG 3.38Å; C10-L14 PolarHBondContact O-N 3.36Å; Q11-L14 PolarHBondContact O-N 2.99Å; K12-L14 VanDerWaalsContact C-N 3.33Å; L14-L17 HydrophobicContact CD2-CD1 4.36Å; L14-L17 PolarHBondContact O-N 3.44Å; L14-S18 PolarHBondContact O-N 2.98Å; L14-F34 HydrophobicContact CD2-CE1 4.27Å; L14-F38 HydrophobicContact CB-CE1 4.09Å; L14-F38 HydrophobicContact CB-CE2 4.4Å; L14-F38 HydrophobicContact CB-CZ 3.62Å; L14-F38 HydrophobicContact CD1-CZ 3.98Å; L14-F38 HydrophobicContact CD2-CE2 4.23Å; L14-F38 HydrophobicContact CD2-CZ 3.86Å; L14-F38 HydrophobicContact CG-CZ 3.99Å |
| 15 | E | 72.9 | Confident | 69.2 | Low | 124 Ų | 124 | 93 Ų | 93 | 58% | 0.579 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.9 | -43.8 | 169 | -73.9 | -179.5 | 157.4 | 0 | 0 | 111.7 | Q11 S18 D19 | Q11-E15 PolarHBondContact O-N 2.88Å; E15-S18 WeakPolarHBondContact O-CB 3.49Å; E15-S18 PolarHBondContact O-N 3.48Å; E15-D19 PolarHBondContact O-N 3.14Å |
| 16 | L | 75.3 | Confident | 69.2 | Low | 108 Ų | 108 | 86.9 Ų | 86.9 | 57% | 0.565 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -61.3 | -42 | 174.6 | -90.9 | 161.7 | 0 | 0 | 0 | 112.9 | K12 D19 L20 | K12-L16 PolarHBondContact O-N 3.12Å; L16-D19 PolarHBondContact O-N 3.24Å; L16-L20 WeakPolarHBondContact O-CB 3.39Å; L16-L20 VanDerWaalsContact O-CG 3.25Å; L16-L20 WeakPolarHBondContact O-CG 3.29Å; L16-L20 PolarHBondContact O-N 2.81Å |
| 17 | L | 71.8 | Confident | 68.9 | Low | 86 Ų | 86 | 91.8 Ų | 91.8 | 45% | 0.45 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.3 | -38 | 175.8 | -76.6 | 166.1 | 0 | 0 | 0 | 112.3 | A13 L14 L20 C21 | A13-L17 WeakPolarHBondContact O-CG 3.45Å; A13-L17 PolarHBondContact O-N 3.17Å; L14-L17 HydrophobicContact CD2-CD1 4.36Å; L14-L17 PolarHBondContact O-N 3.44Å; L17-L20 PolarHBondContact O-N 2.95Å; L17-C21 PolarHBondContact O-N 3.33Å |
| 18 | S | 69.3 | Low | 68.6 | Low | 48 Ų | 48 | 91.7 Ų | 91.7 | 34% | 0.336 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.1 | -47.9 | 175.2 | -170.7 | 0 | 0 | 0 | 0 | 111.7 | L14 E15 L20 C21 S22 | L14-S18 PolarHBondContact O-N 2.98Å; E15-S18 WeakPolarHBondContact O-CB 3.49Å; E15-S18 PolarHBondContact O-N 3.48Å; S18-L20 PolarHBondContact O-N 3.1Å; S18-C21 PolarHBondContact O-N 2.84Å; S18-S22 WeakPolarHBondContact O-CB 3.46Å; S18-S22 PolarHBondContact O-N 3.26Å |
| 19 | D | 72.3 | Confident | 68 | Low | 65 Ų | 65 | 95.1 Ų | 95.1 | 35% | 0.348 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.7 | -44.5 | 176.3 | -177.7 | 52.5 | 0 | 0 | 0 | 112 | E15 L16 S22 K23 | E15-D19 PolarHBondContact O-N 3.14Å; L16-D19 PolarHBondContact O-N 3.24Å; D19-S22 PolarHBondContact O-N 2.87Å; D19-S22 PolarHBondContact O-OG 2.84Å; D19-K23 WeakPolarHBondContact O-CG 3.5Å; D19-K23 PolarHBondContact O-N 2.96Å; D19-K23 VanDerWaalsContact O-N 3.09Å; D19-K23 WeakPolarHBondContact OD1-CE 3.46Å; D19-K23 IonicContact OD1-NZ 2.75Å; D19-K23 PolarHBondContact OD1-NZ 3.37Å; D19-K23 IonicContact OD2-NZ 3.25Å; D19-K23 PolarHBondContact OD2-NZ 3.08Å |
| 20 | L | 71.5 | Confident | 67.2 | Low | 61 Ų | 61 | 95.2 Ų | 95.2 | 32% | 0.319 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.8 | -41.1 | 178.6 | -71.1 | 168.8 | 0 | 0 | 0 | 113.6 | L16 L17 S18 S22 G24 V26 | L16-L20 WeakPolarHBondContact O-CB 3.39Å; L16-L20 VanDerWaalsContact O-CG 3.25Å; L16-L20 WeakPolarHBondContact O-CG 3.29Å; L16-L20 PolarHBondContact O-N 2.81Å; L17-L20 PolarHBondContact O-N 2.95Å; S18-L20 PolarHBondContact O-N 3.1Å; L20-S22 VanDerWaalsContact C-N 3.33Å; L20-G24 PolarHBondContact O-N 3.28Å; L20-V26 HydrophobicContact CB-CG2 4Å |
| 21 | C | 69.3 | Low | 66.8 | Low | 26 Ų | 26 | 92.6 Ų | 92.6 | 18% | 0.176 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 169.6 | -84.7 | 0 | 0 | 0 | 0 | 110.8 | L17 S18 K23 G24 C31 I35 | L17-C21 PolarHBondContact O-N 3.33Å; S18-C21 PolarHBondContact O-N 2.84Å; C21-K23 VanDerWaalsContact C-N 3.27Å; C21-K23 PolarHBondContact O-N 3.2Å; C21-G24 PolarHBondContact O-N 3.35Å; C21-G24 VanDerWaalsContact O-N 3.14Å; C21-C31 HydrophobicContact CB-CB 3.84Å; C21-C31 WeakPolarHBondContact CB-SG 3.48Å; C21-C31 WeakPolarHBondContact SG-CB 3.41Å; C21-C31 CovalentContact SG-SG 2.06Å; C21-C31 PolarHBondContact SG-SG 3.02Å; C21-I35 HydrophobicContact CB-CD1 4.39Å |
| 22 | S | 66.4 | Low | 66.3 | Low | 83 Ų | 83 | 92.2 Ų | 92.2 | 58% | 0.58 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.2 | -28.8 | -177.7 | 82.5 | 0 | 0 | 0 | 0 | 113.9 | S18 D19 L20 | S18-S22 WeakPolarHBondContact O-CB 3.46Å; S18-S22 PolarHBondContact O-N 3.26Å; D19-S22 PolarHBondContact O-N 2.87Å; D19-S22 PolarHBondContact O-OG 2.84Å; L20-S22 VanDerWaalsContact C-N 3.33Å |
| 23 | K | 70.8 | Confident | 65.4 | Low | 127 Ų | 127 | 92.5 Ų | 92.5 | 55% | 0.552 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -9.2 | 177.1 | -72.9 | 165.3 | 178.6 | 164.9 | 0 | 113.7 | D19 C21 E25 | D19-K23 WeakPolarHBondContact O-CG 3.5Å; D19-K23 PolarHBondContact O-N 2.96Å; D19-K23 VanDerWaalsContact O-N 3.09Å; D19-K23 WeakPolarHBondContact OD1-CE 3.46Å; D19-K23 IonicContact OD1-NZ 2.75Å; D19-K23 PolarHBondContact OD1-NZ 3.37Å; D19-K23 IonicContact OD2-NZ 3.25Å; D19-K23 PolarHBondContact OD2-NZ 3.08Å; C21-K23 VanDerWaalsContact C-N 3.27Å; C21-K23 PolarHBondContact O-N 3.2Å; K23-E25 VanDerWaalsContact C-N 3.29Å; K23-E25 HydrophobicContact CB-CG 4.48Å; K23-E25 PolarHBondContact O-N 2.82Å |
| 24 | G | 62.5 | Low | 64.7 | Low | 54 Ų | 54 | 95 Ų | 95 | 56% | 0.557 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74 | 12.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L20 C21 V26 | L20-G24 PolarHBondContact O-N 3.28Å; C21-G24 PolarHBondContact O-N 3.35Å; C21-G24 VanDerWaalsContact O-N 3.14Å; G24-V26 PolarHBondContact O-N 2.73Å |
| 25 | E | 65.1 | Low | 64.1 | Low | 158 Ų | 158 | 96 Ų | 96 | 74% | 0.738 | 51% | 0.507 | S | S | * | . | trans | -76.8 | -10.9 | 177.8 | -63.4 | -165.1 | 173.8 | 0 | 0 | 112.9 | K23 | K23-E25 VanDerWaalsContact C-N 3.29Å; K23-E25 HydrophobicContact CB-CG 4.48Å; K23-E25 PolarHBondContact O-N 2.82Å | ||
| 26 | V | 60.2 | Low | 63.4 | Low | 63 Ų | 63 | 95 Ų | 95 | 38% | 0.382 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -105.4 | 106.4 | 176.5 | -175.7 | 0 | 0 | 0 | 0 | 110.1 | L20 G24 N28 | L20-V26 HydrophobicContact CB-CG2 4Å; G24-V26 PolarHBondContact O-N 2.73Å; V26-N28 HydrophobicContact CG1-CB 4.42Å; V26-N28 PolarHBondContact O-N 2.77Å; V26-N28 VanDerWaalsContact O-N 3.15Å |
| 27 | Q | 55.6 | Low | 62.5 | Low | 199 Ų | 199 | 97.6 Ų | 97.6 | 93% | 0.93 | 50% | 0.502 | S | S | * | . | trans | -80.4 | 89.6 | 173.4 | -67.8 | -175.2 | 0.7 | 0 | 0 | 110.8 | ||||
| 28 | N | 58.5 | Low | 61.6 | Low | 103 Ų | 103 | 96 Ų | 96 | 55% | 0.551 | 49% | 0.492 | S | S | * | . | trans | -153.6 | 135.9 | 169.8 | -160 | -5.5 | 0 | 0 | 0 | 110.9 | V26 N30 C31 | V26-N28 HydrophobicContact CG1-CB 4.42Å; V26-N28 PolarHBondContact O-N 2.77Å; V26-N28 VanDerWaalsContact O-N 3.15Å; N28-N30 PolarHBondContact O-N 2.88Å; N28-C31 PolarHBondContact O-N 3.43Å | ||
| 29 | E | 57.3 | Low | 60.9 | Low | 179 Ų | 179 | 100 Ų | 100 | 84% | 0.836 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -24.2 | -172.5 | -58.4 | -167.4 | 158 | 0 | 0 | 112.4 | C31 | E29-C31 VanDerWaalsContact C-N 3.28Å; E29-C31 PolarHBondContact O-N 2.84Å |
| 30 | N | 55.9 | Low | 59.9 | Low | 100 Ų | 100 | 102.3 Ų | 102.3 | 54% | 0.535 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -2.5 | -178.6 | -60.2 | 5.4 | 0 | 0 | 0 | 114.9 | N28 L32 D33 F34 | N28-N30 PolarHBondContact O-N 2.88Å; N30-L32 PolarHBondContact O-N 3.15Å; N30-D33 PolarHBondContact O-N 3.26Å; N30-F34 PolarHBondContact O-N 2.86Å |
| 31 | C | 58.4 | Low | 59 | Low | 21 Ų | 21 | 105 Ų | 105 | 14% | 0.142 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -60.3 | -29 | 177 | -90.4 | 0 | 0 | 0 | 0 | 112.4 | C21 N28 E29 I35 | C21-C31 HydrophobicContact CB-CB 3.84Å; C21-C31 WeakPolarHBondContact CB-SG 3.48Å; C21-C31 WeakPolarHBondContact SG-CB 3.41Å; C21-C31 CovalentContact SG-SG 2.06Å; C21-C31 PolarHBondContact SG-SG 3.02Å; N28-C31 PolarHBondContact O-N 3.43Å; E29-C31 VanDerWaalsContact C-N 3.28Å; E29-C31 PolarHBondContact O-N 2.84Å; C31-I35 WeakPolarHBondContact O-CD1 3.35Å; C31-I35 VanDerWaalsContact O-CG1 3.29Å; C31-I35 WeakPolarHBondContact O-CG1 3.25Å; C31-I35 PolarHBondContact O-N 2.77Å; C31-I35 VanDerWaalsContact O-N 3.1Å |
| 32 | L | 60.3 | Low | 57.8 | Low | 116 Ų | 116 | 109 Ų | 109 | 61% | 0.607 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -66.1 | -50.3 | 178.8 | -71.3 | 173.6 | 0 | 0 | 0 | 112.1 | N30 F34 I35 Y36 | N30-L32 PolarHBondContact O-N 3.15Å; L32-F34 VanDerWaalsContact C-N 3.26Å; L32-F34 PolarHBondContact O-N 2.86Å; L32-I35 PolarHBondContact O-N 3Å; L32-I35 VanDerWaalsContact O-N 3.12Å; L32-Y36 VanDerWaalsContact O-CD2 3.24Å; L32-Y36 WeakPolarHBondContact O-CD2 3.49Å; L32-Y36 PolarHBondContact O-N 2.7Å |
| 33 | D | 56.3 | Low | 56.8 | Low | 117 Ų | 117 | 112.3 Ų | 112.3 | 63% | 0.626 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -60.3 | -37.6 | 178.4 | -70.9 | -14.7 | 0 | 0 | 0 | 111.7 | N30 Y36 Y37 | N30-D33 PolarHBondContact O-N 3.26Å; D33-Y36 PolarHBondContact O-N 3Å; D33-Y37 PolarHBondContact O-N 2.71Å |
| 34 | F | 57.8 | Low | 55.3 | Low | 102 Ų | 102 | 111.7 Ų | 111.7 | 45% | 0.447 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.6 | -46.1 | 173.9 | -112.6 | -98 | 0 | 0 | 0 | 112.2 | L14 N30 L32 Y36 Y37 F38 | L14-F34 HydrophobicContact CD2-CE1 4.27Å; N30-F34 PolarHBondContact O-N 2.86Å; L32-F34 VanDerWaalsContact C-N 3.26Å; L32-F34 PolarHBondContact O-N 2.86Å; F34-Y36 VanDerWaalsContact C-N 3.3Å; F34-Y36 PolarHBondContact O-N 3.28Å; F34-Y37 PolarHBondContact O-N 3.37Å; F34-F38 HydrophobicContact CD1-CD2 4.3Å; F34-F38 AromaticContact CD1-CE2 3.91Å; F34-F38 HydrophobicContact CD1-CE2 3.91Å; F34-F38 HydrophobicContact CE1-CE2 4.08Å; F34-F38 WeakPolarHBondContact O-CD2 3.19Å; F34-F38 PolarHBondContact O-N 3.25Å; F34-F38 VanDerWaalsContact O-N 3.16Å |
| 35 | I | 59.3 | Low | 54.3 | Low | 75 Ų | 75 | 121 Ų | 121 | 39% | 0.385 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.6 | -37.6 | 177.6 | -70.2 | 164.7 | 0 | 0 | 0 | 111.2 | C21 C31 L32 R39 | C21-I35 HydrophobicContact CB-CD1 4.39Å; C31-I35 WeakPolarHBondContact O-CD1 3.35Å; C31-I35 VanDerWaalsContact O-CG1 3.29Å; C31-I35 WeakPolarHBondContact O-CG1 3.25Å; C31-I35 PolarHBondContact O-N 2.77Å; C31-I35 VanDerWaalsContact O-N 3.1Å; L32-I35 PolarHBondContact O-N 3Å; L32-I35 VanDerWaalsContact O-N 3.12Å; I35-R39 PolarHBondContact O-N 3.49Å |
| 36 | Y | 58.3 | Low | 53.1 | Low | 104 Ų | 104 | 123.4 Ų | 123.4 | 41% | 0.408 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.8 | -44 | 174.8 | -79.6 | -68.7 | 0 | 0 | 0 | 112.8 | L32 D33 F34 F38 R39 D40 | L32-Y36 VanDerWaalsContact O-CD2 3.24Å; L32-Y36 WeakPolarHBondContact O-CD2 3.49Å; L32-Y36 PolarHBondContact O-N 2.7Å; D33-Y36 PolarHBondContact O-N 3Å; F34-Y36 VanDerWaalsContact C-N 3.3Å; F34-Y36 PolarHBondContact O-N 3.28Å; Y36-F38 VanDerWaalsContact C-N 3.3Å; Y36-F38 PolarHBondContact O-N 2.92Å; Y36-R39 WeakPolarHBondContact O-CB 3.48Å; Y36-R39 PolarHBondContact O-N 3.27Å; Y36-R39 VanDerWaalsContact O-N 3.08Å; Y36-D40 PolarHBondContact O-N 3.16Å |
| 37 | Y | 54.7 | Low | 52.4 | Low | 162 Ų | 162 | 124.1 Ų | 124.1 | 64% | 0.635 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -59.4 | -39.6 | 178.9 | -170 | -98.4 | 0 | 0 | 0 | 112.5 | D33 F34 L41 | D33-Y37 PolarHBondContact O-N 2.71Å; F34-Y37 PolarHBondContact O-N 3.37Å; Y37-L41 HydrophobicContact CD1-CD1 4.12Å; Y37-L41 HydrophobicContact CE1-CD1 3.86Å |
| 38 | F | 53.6 | Low | 51.9 | Low | 54 Ų | 54 | 121.1 Ų | 121.1 | 24% | 0.237 | 58% | 0.579 | C | S | . | * | H | α-helix | trans | -70.2 | -31.3 | 174.9 | -84.5 | -74.6 | 0 | 0 | 0 | 114 | L14 F34 Y36 L41 | L14-F38 HydrophobicContact CB-CE1 4.09Å; L14-F38 HydrophobicContact CB-CE2 4.4Å; L14-F38 HydrophobicContact CB-CZ 3.62Å; L14-F38 HydrophobicContact CD1-CZ 3.98Å; L14-F38 HydrophobicContact CD2-CE2 4.23Å; L14-F38 HydrophobicContact CD2-CZ 3.86Å; L14-F38 HydrophobicContact CG-CZ 3.99Å; F34-F38 HydrophobicContact CD1-CD2 4.3Å; F34-F38 AromaticContact CD1-CE2 3.91Å; F34-F38 HydrophobicContact CD1-CE2 3.91Å; F34-F38 HydrophobicContact CE1-CE2 4.08Å; F34-F38 WeakPolarHBondContact O-CD2 3.19Å; F34-F38 PolarHBondContact O-N 3.25Å; F34-F38 VanDerWaalsContact O-N 3.16Å; Y36-F38 VanDerWaalsContact C-N 3.3Å; Y36-F38 PolarHBondContact O-N 2.92Å; F38-L41 HydrophobicContact CD1-CD1 4.34Å; F38-L41 HydrophobicContact CE1-CD1 4.26Å; F38-L41 PolarHBondContact O-N 3.08Å |
| 39 | R | 55.2 | Low | 51.4 | Low | 130 Ų | 130 | 119.9 Ų | 119.9 | 49% | 0.491 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.8 | -41.5 | 176 | -178.5 | 172.1 | 164.5 | 165.3 | -5.4 | 111.7 | I35 Y36 L41 T42 D281 | I35-R39 PolarHBondContact O-N 3.49Å; Y36-R39 WeakPolarHBondContact O-CB 3.48Å; Y36-R39 PolarHBondContact O-N 3.27Å; Y36-R39 VanDerWaalsContact O-N 3.08Å; R39-L41 PolarHBondContact O-N 3.04Å; R39-T42 PolarHBondContact O-N 2.94Å; R39-T42 VanDerWaalsContact O-N 3.17Å; R39-T42 PolarHBondContact O-OG1 3.26Å; R39-D281 IonicContact CZ-OD1 2.88Å; R39-D281 IonicContact NH2-OD1 2.8Å; R39-D281 PolarHBondContact NH2-OD1 3.18Å; R39-D281 IonicContact NH2-OD2 3.41Å; R39-D281 PolarHBondContact NH2-OD2 3.31Å |
| 40 | D | 51.6 | Low | 51.1 | Low | 114 Ų | 114 | 115.4 Ų | 115.4 | 61% | 0.61 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64 | -37.9 | 178.6 | -104.3 | -19.2 | 0 | 0 | 0 | 112.8 | Y36 T42 R43 | Y36-D40 PolarHBondContact O-N 3.16Å; D40-T42 PolarHBondContact O-N 3.19Å; D40-T42 VanDerWaalsContact O-N 3.16Å; D40-R43 WeakPolarHBondContact O-CB 3.41Å; D40-R43 PolarHBondContact O-N 3Å; D40-R43 VanDerWaalsContact O-N 3.14Å |
| 41 | L | 50.9 | Low | 51.1 | Low | 117 Ų | 117 | 115.6 Ų | 115.6 | 61% | 0.613 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.2 | -18.8 | 176 | -74.7 | 167.3 | 0 | 0 | 0 | 113.9 | Y37 F38 R39 | Y37-L41 HydrophobicContact CD1-CD1 4.12Å; Y37-L41 HydrophobicContact CE1-CD1 3.86Å; F38-L41 HydrophobicContact CD1-CD1 4.34Å; F38-L41 HydrophobicContact CE1-CD1 4.26Å; F38-L41 PolarHBondContact O-N 3.08Å; R39-L41 PolarHBondContact O-N 3.04Å |
| 42 | T | 44.6 | Very low | 50.9 | Low | 112 Ų | 112 | 118 Ų | 118 | 69% | 0.687 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | 1.9 | 176.9 | 62.7 | 0 | 0 | 0 | 0 | 114.4 | R39 D40 | R39-T42 PolarHBondContact O-N 2.94Å; R39-T42 VanDerWaalsContact O-N 3.17Å; R39-T42 PolarHBondContact O-OG1 3.26Å; D40-T42 PolarHBondContact O-N 3.19Å; D40-T42 VanDerWaalsContact O-N 3.16Å |
| 43 | R | 45.7 | Very low | 50.9 | Low | 152 Ų | 152 | 117 Ų | 117 | 57% | 0.574 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -78 | 124.4 | -177.6 | -144.4 | 172.6 | -159.4 | -172.2 | 5.3 | 111.4 | D40 D281 | D40-R43 WeakPolarHBondContact O-CB 3.41Å; D40-R43 PolarHBondContact O-N 3Å; D40-R43 VanDerWaalsContact O-N 3.14Å; R43-D281 PolarHBondContact NH2-O 2.96Å |
| 44 | P | 39.4 | Very low | 51.4 | Low | 114 Ų | 114 | 115.2 Ų | 115.2 | 74% | 0.74 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 138.8 | 176.7 | -21.6 | 33.1 | 0 | 0 | 0 | 112.1 | Y46 | P44-Y46 PolarHBondContact O-N 3.42Š|
| 45 | R | 42.2 | Very low | 51.9 | Low | 249 Ų | 249 | 115.5 Ų | 115.5 | 94% | 0.94 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 128.5 | 170 | -67 | -169.8 | -174 | -175.6 | 4 | 110.1 | ||
| 46 | Y | 38.7 | Very low | 52.4 | Low | 209 Ų | 209 | 117.7 Ų | 117.7 | 82% | 0.82 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 149.8 | 169 | -104.3 | -99.4 | 0 | 0 | 0 | 111.4 | P44 D50 | P44-Y46 PolarHBondContact O-N 3.42Å; Y46-D50 WeakPolarHBondContact CE1-OD2 3.17Å |
| 47 | S | 46.8 | Very low | 53.2 | Low | 78 Ų | 78 | 116.2 Ų | 116.2 | 55% | 0.545 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -99.2 | 151.5 | 177.2 | 56.4 | 0 | 0 | 0 | 0 | 112 | S49 | S47-S49 PolarHBondContact O-N 3.24Š|
| 48 | D | 45.5 | Very low | 54.5 | Low | 136 Ų | 136 | 113.7 Ų | 113.7 | 73% | 0.727 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | -19.4 | -174 | -89.2 | -58.6 | 0 | 0 | 0 | 115.9 | D50 I51 | D48-D50 VanDerWaalsContact C-N 3.32Å; D48-D50 PolarHBondContact O-N 3.43Å; D48-I51 PolarHBondContact O-N 3.12Å |
| 49 | S | 47.8 | Very low | 56 | Low | 76 Ų | 76 | 115.1 Ų | 115.1 | 53% | 0.531 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -49.7 | -46.6 | -172.9 | -55.7 | 0 | 0 | 0 | 0 | 113.7 | S47 I51 S52 | S47-S49 PolarHBondContact O-N 3.24Å; S49-I51 VanDerWaalsContact C-N 3.33Å; S49-I51 PolarHBondContact O-N 3.33Å; S49-S52 PolarHBondContact O-N 2.92Å; S49-S52 PolarHBondContact O-OG 3.49Å |
| 50 | D | 49.6 | Very low | 57.6 | Low | 86 Ų | 86 | 113.4 Ų | 113.4 | 46% | 0.46 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -73 | -24.3 | -170.6 | -63.6 | -43.9 | 0 | 0 | 0 | 113.5 | Y46 D48 S52 V53 S54 | Y46-D50 WeakPolarHBondContact CE1-OD2 3.17Å; D48-D50 VanDerWaalsContact C-N 3.32Å; D48-D50 PolarHBondContact O-N 3.43Å; D50-S52 VanDerWaalsContact C-N 3.26Å; D50-S52 PolarHBondContact O-N 2.57Å; D50-V53 PolarHBondContact O-N 3.49Å; D50-S54 PolarHBondContact O-N 2.78Å |
| 51 | I | 56.3 | Low | 59.2 | Low | 103 Ų | 103 | 111.7 Ų | 111.7 | 53% | 0.528 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -62.4 | -38.5 | 176.6 | -58.8 | 175.7 | 0 | 0 | 0 | 109.9 | D48 S49 S54 L55 | D48-I51 PolarHBondContact O-N 3.12Å; S49-I51 VanDerWaalsContact C-N 3.33Å; S49-I51 PolarHBondContact O-N 3.33Å; I51-S54 PolarHBondContact O-N 2.88Å; I51-L55 HydrophobicContact CG2-CD1 4.3Å; I51-L55 PolarHBondContact O-N 3.35Å; I51-L55 VanDerWaalsContact O-N 3.08Å |
| 52 | S | 55.5 | Low | 60.9 | Low | 73 Ų | 73 | 108.6 Ų | 108.6 | 51% | 0.51 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.9 | -40.2 | 179 | 75.3 | 0 | 0 | 0 | 0 | 112.7 | S49 D50 L56 | S49-S52 PolarHBondContact O-N 2.92Å; S49-S52 PolarHBondContact O-OG 3.49Å; D50-S52 VanDerWaalsContact C-N 3.26Å; D50-S52 PolarHBondContact O-N 2.57Å; S52-L56 PolarHBondContact O-N 2.85Å |
| 53 | V | 59 | Low | 63.1 | Low | 95 Ų | 95 | 106.7 Ų | 106.7 | 58% | 0.576 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -70.4 | -41.7 | 179.5 | -176.7 | 0 | 0 | 0 | 0 | 110.7 | D50 L56 S57 | D50-V53 PolarHBondContact O-N 3.49Å; V53-L56 PolarHBondContact O-N 3.15Å; V53-S57 PolarHBondContact O-N 2.9Å |
| 54 | S | 67.6 | Low | 65.3 | Low | 78 Ų | 78 | 101.3 Ų | 101.3 | 55% | 0.545 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.9 | -44.4 | 178.3 | -166.8 | 0 | 0 | 0 | 0 | 112.1 | D50 I51 L56 S57 L58 | D50-S54 PolarHBondContact O-N 2.78Å; I51-S54 PolarHBondContact O-N 2.88Å; S54-L56 PolarHBondContact O-N 2.97Å; S54-S57 PolarHBondContact O-N 2.97Å; S54-L58 WeakPolarHBondContact O-CB 3.15Å; S54-L58 PolarHBondContact O-N 2.97Å |
| 55 | L | 67.8 | Low | 67.7 | Low | 108 Ų | 108 | 101.8 Ų | 101.8 | 57% | 0.565 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -59.6 | -43.7 | 174.1 | -88.4 | 165.2 | 0 | 0 | 0 | 112.8 | I51 S57 L58 V59 | I51-L55 HydrophobicContact CG2-CD1 4.3Å; I51-L55 PolarHBondContact O-N 3.35Å; I51-L55 VanDerWaalsContact O-N 3.08Å; L55-S57 PolarHBondContact O-N 2.86Å; L55-L58 PolarHBondContact O-N 2.83Å; L55-V59 WeakPolarHBondContact O-CG2 3.3Å; L55-V59 PolarHBondContact O-N 2.79Å |
| 56 | L | 69.9 | Low | 70 | Confident | 121 Ų | 121 | 92.8 Ų | 92.8 | 63% | 0.634 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -64.6 | -41.1 | -179.8 | -129 | 162.8 | 0 | 0 | 0 | 111.4 | S52 V53 S54 V59 V60 | S52-L56 PolarHBondContact O-N 2.85Å; V53-L56 PolarHBondContact O-N 3.15Å; S54-L56 PolarHBondContact O-N 2.97Å; L56-V59 PolarHBondContact O-N 2.98Å; L56-V60 HydrophobicContact CD2-CG2 4.29Å; L56-V60 WeakPolarHBondContact O-CG2 3.26Å; L56-V60 PolarHBondContact O-N 3.07Å |
| 57 | S | 75.8 | Confident | 72.5 | Confident | 73 Ų | 73 | 88.9 Ų | 88.9 | 51% | 0.51 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 172.8 | -172.4 | 0 | 0 | 0 | 0 | 112.5 | V53 S54 L55 V60 T61 | V53-S57 PolarHBondContact O-N 2.9Å; S54-S57 PolarHBondContact O-N 2.97Å; L55-S57 PolarHBondContact O-N 2.86Å; S57-V60 PolarHBondContact O-N 2.91Å; S57-T61 WeakPolarHBondContact O-CB 3.24Å; S57-T61 WeakPolarHBondContact O-CG2 3.49Å; S57-T61 PolarHBondContact O-N 2.87Å; S57-T61 PolarHBondContact O-OG1 2.57Å |
| 58 | L | 81 | Confident | 74.6 | Confident | 110 Ų | 110 | 91.3 Ų | 91.3 | 58% | 0.576 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.5 | -39.5 | 179.8 | -163.5 | 153.1 | 0 | 0 | 0 | 112 | S54 L55 T61 A62 | S54-L58 WeakPolarHBondContact O-CB 3.15Å; S54-L58 PolarHBondContact O-N 2.97Å; L55-L58 PolarHBondContact O-N 2.83Å; L58-T61 WeakPolarHBondContact CA-OG1 3.44Å; L58-T61 PolarHBondContact O-OG1 2.97Å; L58-T61 VanDerWaalsContact O-OG1 3.08Å; L58-A62 VanDerWaalsContact O-CB 3.28Å; L58-A62 WeakPolarHBondContact O-CB 3.13Å; L58-A62 PolarHBondContact O-N 2.8Å |
| 59 | V | 86 | Confident | 76.7 | Confident | 83 Ų | 83 | 86.7 Ų | 86.7 | 50% | 0.503 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.1 | -46.5 | 173.8 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | L55 L56 T61 A62 C63 | L55-V59 WeakPolarHBondContact O-CG2 3.3Å; L55-V59 PolarHBondContact O-N 2.79Å; L56-V59 PolarHBondContact O-N 2.98Å; V59-T61 PolarHBondContact O-N 3.42Å; V59-A62 PolarHBondContact O-N 2.91Å; V59-C63 WeakPolarHBondContact O-CB 3.4Å; V59-C63 PolarHBondContact O-N 2.72Å |
| 60 | V | 87.9 | Confident | 78.7 | Confident | 95 Ų | 95 | 87.3 Ų | 87.3 | 58% | 0.576 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.6 | -43.1 | -180 | 169.5 | 0 | 0 | 0 | 0 | 111.5 | L56 S57 G64 | L56-V60 HydrophobicContact CD2-CG2 4.29Å; L56-V60 WeakPolarHBondContact O-CG2 3.26Å; L56-V60 PolarHBondContact O-N 3.07Å; S57-V60 PolarHBondContact O-N 2.91Å; V60-G64 PolarHBondContact O-N 2.99Å |
| 61 | T | 85.1 | Confident | 80.5 | Confident | 77 Ų | 77 | 86.3 Ų | 86.3 | 47% | 0.472 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.6 | -41.3 | 177.7 | 48.5 | 0 | 0 | 0 | 0 | 112.4 | S57 L58 V59 G64 L65 | S57-T61 WeakPolarHBondContact O-CB 3.24Å; S57-T61 WeakPolarHBondContact O-CG2 3.49Å; S57-T61 PolarHBondContact O-N 2.87Å; S57-T61 PolarHBondContact O-OG1 2.57Å; L58-T61 WeakPolarHBondContact CA-OG1 3.44Å; L58-T61 PolarHBondContact O-OG1 2.97Å; L58-T61 VanDerWaalsContact O-OG1 3.08Å; V59-T61 PolarHBondContact O-N 3.42Å; T61-G64 PolarHBondContact O-N 3.27Å; T61-L65 WeakPolarHBondContact O-CG 3.37Å; T61-L65 PolarHBondContact O-N 3.26Å |
| 62 | A | 87.8 | Confident | 82 | Confident | 53 Ų | 53 | 86 Ų | 86 | 44% | 0.438 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L58 V59 L65 A66 | L58-A62 VanDerWaalsContact O-CB 3.28Å; L58-A62 WeakPolarHBondContact O-CB 3.13Å; L58-A62 PolarHBondContact O-N 2.8Å; V59-A62 PolarHBondContact O-N 2.91Å; A62-L65 PolarHBondContact O-N 2.9Å; A62-A66 PolarHBondContact O-N 3.17Å |
| 63 | C | 90.6 | Very high | 83.5 | Confident | 72 Ų | 72 | 89.1 Ų | 89.1 | 49% | 0.486 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 175.3 | -73.9 | 0 | 0 | 0 | 0 | 112.4 | V59 A66 L67 | V59-C63 WeakPolarHBondContact O-CB 3.4Å; V59-C63 PolarHBondContact O-N 2.72Å; C63-A66 PolarHBondContact O-N 3.12Å; C63-L67 WeakPolarHBondContact O-CG 3.38Å; C63-L67 PolarHBondContact O-N 2.86Å |
| 64 | G | 90.7 | Very high | 84.7 | Confident | 38 Ų | 38 | 88 Ų | 88 | 39% | 0.392 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V60 T61 L67 F68 | V60-G64 PolarHBondContact O-N 2.99Å; T61-G64 PolarHBondContact O-N 3.27Å; G64-L67 PolarHBondContact O-N 3.3Å; G64-F68 WeakPolarHBondContact O-CB 3.4Å; G64-F68 PolarHBondContact O-N 3.35Å |
| 65 | L | 91.3 | Very high | 85.5 | Confident | 124 Ų | 124 | 86.9 Ų | 86.9 | 65% | 0.649 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.4 | -39 | 176.8 | -69.9 | 172.5 | 0 | 0 | 0 | 112.4 | T61 A62 F68 G69 | T61-L65 WeakPolarHBondContact O-CG 3.37Å; T61-L65 PolarHBondContact O-N 3.26Å; A62-L65 PolarHBondContact O-N 2.9Å; L65-F68 PolarHBondContact O-N 2.72Å; L65-G69 PolarHBondContact O-N 3.31Å |
| 66 | A | 89.4 | Confident | 86.1 | Confident | 61 Ų | 61 | 90 Ų | 90 | 50% | 0.504 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63 | -46.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | A62 C63 F68 G69 V70 | A62-A66 PolarHBondContact O-N 3.17Å; C63-A66 PolarHBondContact O-N 3.12Å; A66-F68 VanDerWaalsContact C-N 3.34Å; A66-F68 PolarHBondContact O-N 2.06Å; A66-G69 PolarHBondContact O-N 3.21Å; A66-V70 WeakPolarHBondContact O-CG2 3.46Å; A66-V70 PolarHBondContact O-N 2.91Å |
| 67 | L | 91.4 | Very high | 86.6 | Confident | 126 Ų | 126 | 90.5 Ų | 90.5 | 66% | 0.66 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.2 | -37.9 | 176.6 | -70.1 | 171.5 | 0 | 0 | 0 | 112.1 | C63 G64 V70 S71 | C63-L67 WeakPolarHBondContact O-CG 3.38Å; C63-L67 PolarHBondContact O-N 2.86Å; G64-L67 PolarHBondContact O-N 3.3Å; L67-V70 PolarHBondContact O-N 3.25Å; L67-S71 WeakPolarHBondContact O-CB 3.34Å; L67-S71 PolarHBondContact O-N 2.91Å |
| 68 | F | 90.1 | Very high | 86.4 | Confident | 129 Ų | 129 | 92.2 Ų | 92.2 | 57% | 0.566 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.9 | -42.2 | 174 | -171.9 | -110.5 | 0 | 0 | 0 | 111.9 | G64 L65 A66 S71 L72 | G64-F68 WeakPolarHBondContact O-CB 3.4Å; G64-F68 PolarHBondContact O-N 3.35Å; L65-F68 PolarHBondContact O-N 2.72Å; A66-F68 VanDerWaalsContact C-N 3.34Å; A66-F68 PolarHBondContact O-N 2.06Å; F68-S71 PolarHBondContact O-N 2.93Å; F68-L72 HydrophobicContact CD1-CD1 3.88Å; F68-L72 HydrophobicContact CD1-CG 4.42Å; F68-L72 HydrophobicContact CE1-CD1 3.51Å; F68-L72 HydrophobicContact CE1-CG 4.16Å; F68-L72 HydrophobicContact CZ-CD1 4.02Å; F68-L72 HydrophobicContact CZ-CD2 4.41Å; F68-L72 HydrophobicContact CZ-CG 4.27Å; F68-L72 WeakPolarHBondContact O-CG 3.37Å; F68-L72 PolarHBondContact O-N 3.34Å |
| 69 | G | 90.3 | Very high | 85.7 | Confident | 39 Ų | 39 | 91.6 Ų | 91.6 | 40% | 0.402 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.4 | -44 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L65 A66 L72 F73 | L65-G69 PolarHBondContact O-N 3.31Å; A66-G69 PolarHBondContact O-N 3.21Å; G69-L72 PolarHBondContact O-N 3.43Å; G69-F73 WeakPolarHBondContact O-CB 3.42Å; G69-F73 PolarHBondContact O-N 2.85Å |
| 70 | V | 89.8 | Confident | 84.1 | Confident | 89 Ų | 89 | 95.5 Ų | 95.5 | 54% | 0.539 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.8 | -43 | 174.4 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | A66 L67 L72 F73 V74 | A66-V70 WeakPolarHBondContact O-CG2 3.46Å; A66-V70 PolarHBondContact O-N 2.91Å; L67-V70 PolarHBondContact O-N 3.25Å; V70-L72 PolarHBondContact O-N 2.75Å; V70-F73 PolarHBondContact O-N 3.42Å; V70-V74 HydrophobicContact CG1-CG2 4.37Å; V70-V74 WeakPolarHBondContact O-CG2 3.36Å; V70-V74 PolarHBondContact O-N 3.42Å |
| 71 | S | 86.8 | Confident | 82.6 | Confident | 66 Ų | 66 | 96.4 Ų | 96.4 | 46% | 0.462 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61 | -43.3 | 177.1 | -173.9 | 0 | 0 | 0 | 0 | 112.2 | L67 F68 S75 | L67-S71 WeakPolarHBondContact O-CB 3.34Å; L67-S71 PolarHBondContact O-N 2.91Å; F68-S71 PolarHBondContact O-N 2.93Å; S71-S75 VanDerWaalsContact O-CB 3.24Å; S71-S75 WeakPolarHBondContact O-CB 3.48Å; S71-S75 PolarHBondContact O-N 3.12Å; S71-S75 PolarHBondContact O-OG 3.4Å |
| 72 | L | 89.4 | Confident | 80.8 | Confident | 95 Ų | 95 | 97.1 Ų | 97.1 | 50% | 0.497 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.2 | -41.6 | 173.9 | -74.7 | 177.5 | 0 | 0 | 0 | 112.3 | F68 G69 V70 S75 W76 | F68-L72 HydrophobicContact CD1-CD1 3.88Å; F68-L72 HydrophobicContact CD1-CG 4.42Å; F68-L72 HydrophobicContact CE1-CD1 3.51Å; F68-L72 HydrophobicContact CE1-CG 4.16Å; F68-L72 HydrophobicContact CZ-CD1 4.02Å; F68-L72 HydrophobicContact CZ-CD2 4.41Å; F68-L72 HydrophobicContact CZ-CG 4.27Å; F68-L72 WeakPolarHBondContact O-CG 3.37Å; F68-L72 PolarHBondContact O-N 3.34Å; G69-L72 PolarHBondContact O-N 3.43Å; V70-L72 PolarHBondContact O-N 2.75Å; L72-S75 PolarHBondContact O-N 3.45Å; L72-W76 WeakPolarHBondContact O-CB 3.33Å; L72-W76 PolarHBondContact O-N 2.94Å |
| 73 | F | 85.4 | Confident | 79 | Confident | 140 Ų | 140 | 105.5 Ų | 105.5 | 61% | 0.614 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.5 | -42.5 | 177.9 | -175.7 | -99.1 | 0 | 0 | 0 | 112.3 | G69 V70 K77 | G69-F73 WeakPolarHBondContact O-CB 3.42Å; G69-F73 PolarHBondContact O-N 2.85Å; V70-F73 PolarHBondContact O-N 3.42Å; F73-K77 HydrophobicContact CE1-CG 4.4Å; F73-K77 WeakPolarHBondContact O-CB 3.32Å; F73-K77 PolarHBondContact O-N 3.31Å |
| 74 | V | 85.6 | Confident | 76.9 | Confident | 71 Ų | 71 | 112.4 Ų | 112.4 | 43% | 0.43 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.4 | -43.8 | 174.6 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | V70 K77 L78 | V70-V74 HydrophobicContact CG1-CG2 4.37Å; V70-V74 WeakPolarHBondContact O-CG2 3.36Å; V70-V74 PolarHBondContact O-N 3.42Å; V74-K77 WeakPolarHBondContact O-CB 3.15Å; V74-K77 PolarHBondContact O-N 3.19Å; V74-L78 HydrophobicContact CG1-CD1 3.81Å; V74-L78 HydrophobicContact CG1-CG 4.32Å; V74-L78 WeakPolarHBondContact O-CB 3.31Å; V74-L78 WeakPolarHBondContact O-CG 3.32Å; V74-L78 PolarHBondContact O-N 3.25Å |
| 75 | S | 84.1 | Confident | 74.9 | Confident | 55 Ų | 55 | 118.7 Ų | 118.7 | 39% | 0.385 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.9 | -44.4 | 176.9 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | S71 L72 K77 L78 C79 | S71-S75 VanDerWaalsContact O-CB 3.24Å; S71-S75 WeakPolarHBondContact O-CB 3.48Å; S71-S75 PolarHBondContact O-N 3.12Å; S71-S75 PolarHBondContact O-OG 3.4Å; L72-S75 PolarHBondContact O-N 3.45Å; S75-K77 PolarHBondContact O-N 2.88Å; S75-L78 PolarHBondContact O-N 2.79Å; S75-C79 WeakPolarHBondContact O-CB 3.39Å; S75-C79 PolarHBondContact O-N 3.28Å; S75-C79 PolarHBondContact O-SG 3.26Å; S75-C79 VanDerWaalsContact O-SG 3.37Å |
| 76 | W | 80 | Confident | 72.7 | Confident | 172 Ų | 172 | 124.5 Ų | 124.5 | 65% | 0.652 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -56.5 | -50.7 | 171.5 | -175.4 | -58.8 | 0 | 0 | 0 | 110.6 | L72 L78 C79 W80 | L72-W76 WeakPolarHBondContact O-CB 3.33Å; L72-W76 PolarHBondContact O-N 2.94Å; W76-L78 VanDerWaalsContact C-N 3.33Å; W76-L78 PolarHBondContact O-N 2.94Å; W76-C79 PolarHBondContact O-N 2.91Å; W76-W80 AromaticContact CD1-CE3 3.88Å; W76-W80 AromaticContact CE2-CE3 3.86Å; W76-W80 AromaticContact CE2-CZ3 3.74Å; W76-W80 HydrophobicContact CZ2-CE3 4.28Å; W76-W80 HydrophobicContact CZ2-CH2 4.44Å; W76-W80 AromaticContact CZ2-CZ3 3.68Å; W76-W80 HydrophobicContact CZ2-CZ3 3.68Å; W76-W80 AromaticContact NE1-CE3 3.22Å; W76-W80 AromaticContact NE1-CZ3 3.52Å; W76-W80 WeakPolarHBondContact O-CB 3.47Å; W76-W80 PolarHBondContact O-N 2.94Å |
| 77 | K | 79.5 | Confident | 70.4 | Confident | 132 Ų | 132 | 125.2 Ų | 125.2 | 57% | 0.574 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -58.4 | -41.2 | 179.5 | -103.2 | -75.9 | -174.7 | 170.3 | 0 | 113 | F73 V74 S75 I81 | F73-K77 HydrophobicContact CE1-CG 4.4Å; F73-K77 WeakPolarHBondContact O-CB 3.32Å; F73-K77 PolarHBondContact O-N 3.31Å; V74-K77 WeakPolarHBondContact O-CB 3.15Å; V74-K77 PolarHBondContact O-N 3.19Å; S75-K77 PolarHBondContact O-N 2.88Å; K77-I81 WeakPolarHBondContact O-CD1 3.15Å; K77-I81 WeakPolarHBondContact O-CG1 3.44Å |
| 78 | L | 71.9 | Confident | 67.9 | Low | 110 Ų | 110 | 127.5 Ų | 127.5 | 58% | 0.576 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -74 | -44.3 | 179.7 | -69.5 | 172.6 | 0 | 0 | 0 | 112 | V74 S75 W76 W80 I81 P82 | V74-L78 HydrophobicContact CG1-CD1 3.81Å; V74-L78 HydrophobicContact CG1-CG 4.32Å; V74-L78 WeakPolarHBondContact O-CB 3.31Å; V74-L78 WeakPolarHBondContact O-CG 3.32Å; V74-L78 PolarHBondContact O-N 3.25Å; S75-L78 PolarHBondContact O-N 2.79Å; W76-L78 VanDerWaalsContact C-N 3.33Å; W76-L78 PolarHBondContact O-N 2.94Å; L78-W80 VanDerWaalsContact C-N 3.25Å; L78-W80 PolarHBondContact O-N 2.81Å; L78-I81 PolarHBondContact O-N 2.66Å; L78-P82 WeakPolarHBondContact O-CD 3.48Å |
| 79 | C | 66.8 | Low | 65.2 | Low | 97 Ų | 97 | 126.8 Ų | 126.8 | 66% | 0.655 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -67.8 | -21.8 | 177.7 | -69.8 | 0 | 0 | 0 | 0 | 113.7 | S75 W76 | S75-C79 WeakPolarHBondContact O-CB 3.39Å; S75-C79 PolarHBondContact O-N 3.28Å; S75-C79 PolarHBondContact O-SG 3.26Å; S75-C79 VanDerWaalsContact O-SG 3.37Å; W76-C79 PolarHBondContact O-N 2.91Å |
| 80 | W | 52.9 | Low | 62.6 | Low | 165 Ų | 165 | 130.7 Ų | 130.7 | 63% | 0.625 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -21.1 | 178.1 | -154.7 | -80.4 | 0 | 0 | 0 | 114 | W76 L78 | W76-W80 AromaticContact CD1-CE3 3.88Å; W76-W80 AromaticContact CE2-CE3 3.86Å; W76-W80 AromaticContact CE2-CZ3 3.74Å; W76-W80 HydrophobicContact CZ2-CE3 4.28Å; W76-W80 HydrophobicContact CZ2-CH2 4.44Å; W76-W80 AromaticContact CZ2-CZ3 3.68Å; W76-W80 HydrophobicContact CZ2-CZ3 3.68Å; W76-W80 AromaticContact NE1-CE3 3.22Å; W76-W80 AromaticContact NE1-CZ3 3.52Å; W76-W80 WeakPolarHBondContact O-CB 3.47Å; W76-W80 PolarHBondContact O-N 2.94Å; L78-W80 VanDerWaalsContact C-N 3.25Å; L78-W80 PolarHBondContact O-N 2.81Å |
| 81 | I | 56.1 | Low | 59.8 | Low | 114 Ų | 114 | 132.4 Ų | 132.4 | 59% | 0.585 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -70.9 | -43.7 | -173.4 | -70.6 | 163.5 | 0 | 0 | 0 | 113.4 | K77 L78 W83 | K77-I81 WeakPolarHBondContact O-CD1 3.15Å; K77-I81 WeakPolarHBondContact O-CG1 3.44Å; L78-I81 PolarHBondContact O-N 2.66Å; I81-W83 VanDerWaalsContact C-N 3.26Å; I81-W83 PolarHBondContact O-N 3.07Å |
| 82 | P | 47.5 | Very low | 57 | Low | 91 Ų | 91 | 134.7 Ų | 134.7 | 59% | 0.591 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -67.8 | -15.6 | -175.3 | -23.9 | 35.1 | 0 | 0 | 0 | 116.3 | L78 | L78-P82 WeakPolarHBondContact O-CD 3.48Š|
| 83 | W | 49.4 | Very low | 54.2 | Low | 230 Ų | 230 | 139.2 Ų | 139.2 | 87% | 0.871 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -97.9 | -0.8 | -170.9 | -88.6 | 70.7 | 0 | 0 | 0 | 115.2 | I81 | I81-W83 VanDerWaalsContact C-N 3.26Å; I81-W83 PolarHBondContact O-N 3.07Å |
| 84 | R | 47.1 | Very low | 51.5 | Low | 217 Ų | 217 | 140.7 Ų | 140.7 | 82% | 0.819 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -92.5 | -3.8 | -179.8 | -147 | 175 | -171.2 | -112 | 2.5 | 114.9 | ||
| 85 | E | 47.9 | Very low | 48.8 | Very low | 170 Ų | 170 | 142.1 Ų | 142.1 | 79% | 0.794 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -121.7 | 35.7 | -171.8 | -70.2 | -64.4 | 159.7 | 0 | 0 | 113.6 | ||
| 86 | R | 46.2 | Very low | 46.2 | Very low | 245 Ų | 245 | 148.1 Ų | 148.1 | 93% | 0.925 | 75% | 0.748 | S | S | * | * | trans | -139.9 | 78.9 | 168.4 | -72.9 | -165.2 | 177.9 | -176.1 | 0.8 | 111.7 | ||||
| 87 | G | 41.2 | Very low | 43.6 | Very low | 76 Ų | 76 | 143 Ų | 143 | 78% | 0.784 | 75% | 0.749 | S | S | * | * | trans | -158.6 | 31.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 88 | L | 37 | Very low | 41.3 | Very low | 175 Ų | 175 | 145.2 Ų | 145.2 | 92% | 0.916 | 76% | 0.761 | S | S | * | * | trans | -154.2 | 129 | 168.3 | -104.1 | 169 | 0 | 0 | 0 | 110.2 | ||||
| 89 | S | 34.5 | Very low | 39.4 | Very low | 114 Ų | 114 | 147.3 Ų | 147.3 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | -113.5 | 118.5 | -177.5 | 56.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 90 | P | 35.8 | Very low | 37.5 | Very low | 121 Ų | 121 | 149.8 Ų | 149.8 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | -94.5 | 123.6 | 172.7 | 33.5 | -29.4 | 0 | 0 | 0 | 112.2 | ||||
| 91 | T | 29.7 | Very low | 37.3 | Very low | 124 Ų | 124 | 147.1 Ų | 147.1 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | trans | -66.5 | 153.4 | 144.2 | 47.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 92 | T | 29 | Very low | 36 | Very low | 115 Ų | 115 | 147.3 Ų | 147.3 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | cis | -163.3 | 168.9 | 17.9 | -12.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 93 | K | 30.3 | Very low | 35.2 | Very low | 189 Ų | 189 | 151.8 Ų | 151.8 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | 83 | 150.8 | 148 | -77.2 | 171.8 | -178 | -175.8 | 0 | 120.6 | ||||
| 94 | E | 29.5 | Very low | 34.3 | Very low | 172 Ų | 172 | 146.1 Ų | 146.1 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -86.8 | 174 | -171.3 | -56.7 | 144.9 | 120 | 0 | 0 | 112.5 | ||||
| 95 | A | 28.5 | Very low | 34.2 | Very low | 100 Ų | 100 | 140.7 Ų | 140.7 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -122.8 | 127.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 96 | Q | 29 | Very low | 33.6 | Very low | 182 Ų | 182 | 140.4 Ų | 140.4 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -74.4 | 162.6 | 179.7 | -117.3 | 86.1 | 14.7 | 0 | 0 | 113.2 | ||||
| 97 | G | 26 | Very low | 33.8 | Very low | 65 Ų | 65 | 134.1 Ų | 134.1 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | trans | -162 | 104.4 | 150.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 98 | H | 30.1 | Very low | 33.4 | Very low | 177 Ų | 177 | 134.6 Ų | 134.6 | 82% | 0.819 | 78% | 0.783 | S | S | * | * | 174.4 | 130.5 | 128.1 | -104.6 | -88.3 | 0 | 0 | 0 | 113.6 | |||||
| 99 | I | 32.9 | Very low | 33.1 | Very low | 154 Ų | 154 | 134.8 Ų | 134.8 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | 81 | 139.3 | 151 | -56.5 | 163.3 | 0 | 0 | 0 | 119.4 | ||||
| 100 | N | 27.3 | Very low | 32.9 | Very low | 149 Ų | 149 | 134.4 Ų | 134.4 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | -94.3 | -170.7 | -174.2 | -81 | -23.1 | 0 | 0 | 0 | 112.6 | ||||
| 101 | P | 48.7 | Very low | 32.7 | Very low | 110 Ų | 110 | 133 Ų | 133 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | cis | -133.4 | 179 | -16.6 | 22.2 | 1.6 | 0 | 0 | 0 | 115.2 | ||||
| 102 | T | 28.8 | Very low | 33.4 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | 132.5 | 133.1 | 125.1 | -49.4 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 103 | M | 30.8 | Very low | 33.4 | Very low | 184 Ų | 184 | 136.7 Ų | 136.7 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | trans | 78.7 | 136.9 | 159.6 | -90.7 | 172.8 | 170.7 | 0 | 0 | 122.9 | ||||
| 104 | S | 29.4 | Very low | 33.5 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | -98.5 | -172.2 | 178.2 | -40.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 105 | P | 46.7 | Very low | 34.4 | Very low | 104 Ų | 104 | 133.5 Ų | 133.5 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | cis | -147.2 | 149.4 | 12 | 39.3 | -17 | 0 | 0 | 0 | 120.7 | ||||
| 106 | L | 33.4 | Very low | 34.5 | Very low | 163 Ų | 163 | 135.1 Ų | 135.1 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | 64.6 | 174.3 | 137.4 | -60.2 | 173.1 | 0 | 0 | 0 | 119.4 | ||||
| 107 | P | 51.8 | Low | 34.6 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | -141.4 | 156 | -69 | 41.9 | -25.8 | 0 | 0 | 0 | 117.1 | |||||
| 108 | A | 31.6 | Very low | 34.9 | Very low | 87 Ų | 87 | 140.6 Ų | 140.6 | 72% | 0.719 | 79% | 0.791 | S | S | * | * | trans | -177 | 122.6 | 147.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 109 | Q | 31.8 | Very low | 35.1 | Very low | 179 Ų | 179 | 136.7 Ų | 136.7 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | 60.7 | 131.3 | 73.5 | -68 | -170.2 | 58.9 | 0 | 0 | 115.1 | |||||
| 110 | S | 30.6 | Very low | 35.2 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | cis | -170 | 150.3 | -26.3 | 34 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 111 | A | 30.6 | Very low | 35.2 | Very low | 92 Ų | 92 | 136.2 Ų | 136.2 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | trans | -90.2 | 173.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 112 | P | 44.1 | Very low | 36 | Very low | 116 Ų | 116 | 136 Ų | 136 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | -153.4 | 159.1 | 57.6 | 41.3 | -19.8 | 0 | 0 | 0 | 120.1 | |||||
| 113 | K | 30.3 | Very low | 36.9 | Very low | 200 Ų | 200 | 135.7 Ų | 135.7 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | trans | 30.5 | 143.2 | 134.4 | -55.4 | -178.5 | -179.9 | 179.5 | 0 | 124.4 | ||||
| 114 | Q | 31 | Very low | 36.8 | Very low | 182 Ų | 182 | 134.7 Ų | 134.7 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | -34.4 | 174.5 | 148.6 | -60 | 177.5 | -28.6 | 0 | 0 | 116.4 | ||||
| 115 | P | 50.1 | Low | 37 | Very low | 113 Ų | 113 | 136.5 Ų | 136.5 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | cis | -152.3 | -161.7 | 28.2 | 34 | -6.2 | 0 | 0 | 0 | 118.9 | ||||
| 116 | V | 29.3 | Very low | 36.2 | Very low | 134 Ų | 134 | 137.9 Ų | 137.9 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | 114.1 | 142.1 | 150.7 | -172.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 117 | Y | 31.6 | Very low | 36 | Very low | 212 Ų | 212 | 141.1 Ų | 141.1 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | trans | -84.2 | 154.1 | 178.3 | -89.3 | -112.8 | 0 | 0 | 0 | 113.6 | ||||
| 118 | T | 32.5 | Very low | 35 | Very low | 149 Ų | 149 | 147 Ų | 147 | 91% | 0.914 | 79% | 0.793 | S | S | * | * | 174.8 | 173.8 | 111.9 | 30.1 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 119 | A | 34.5 | Very low | 35 | Very low | 95 Ų | 95 | 152.1 Ų | 152.1 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -118.4 | 152.5 | -165.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 120 | V | 33.5 | Very low | 34.9 | Very low | 151 Ų | 151 | 148 Ų | 148 | 92% | 0.915 | 79% | 0.79 | S | S | * | * | trans | -151.6 | 151.4 | 159.9 | 179.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 121 | D | 29.2 | Very low | 35 | Very low | 143 Ų | 143 | 147 Ų | 147 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | trans | -116.8 | 175.3 | -174.2 | -118.5 | -22.6 | 0 | 0 | 0 | 112.1 | ||||
| 122 | P | 63.6 | Low | 35.2 | Very low | 106 Ų | 106 | 151.1 Ų | 151.1 | 69% | 0.688 | 79% | 0.786 | S | S | * | * | cis | -137 | 4.5 | -21.7 | 43.5 | -29.1 | 0 | 0 | 0 | 119.3 | ||||
| 123 | P | 48.5 | Very low | 34.5 | Very low | 110 Ų | 110 | 150.7 Ų | 150.7 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | -106.3 | 117.3 | -125.9 | 34.7 | -25.7 | 0 | 0 | 0 | 120.2 | |||||
| 124 | M | 29.1 | Very low | 34.6 | Very low | 164 Ų | 164 | 145.8 Ų | 145.8 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | trans | 74.5 | 137.2 | 131.8 | -84.7 | -67.1 | 170.8 | 0 | 0 | 125.9 | ||||
| 125 | H | 32.3 | Very low | 34.7 | Very low | 148 Ų | 148 | 143.5 Ų | 143.5 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | trans | 89 | 126.3 | 142.3 | -98.5 | -64 | 0 | 0 | 0 | 124.6 | ||||
| 126 | N | 30.2 | Very low | 33.8 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | 75.4 | 153.1 | 151.3 | -61.3 | -33.5 | 0 | 0 | 0 | 118.1 | ||||
| 127 | R | 30.2 | Very low | 33.9 | Very low | 232 Ų | 232 | 144.1 Ų | 144.1 | 88% | 0.875 | 77% | 0.771 | S | S | * | * | cis | -146.4 | 143.4 | 9.8 | -149.1 | 171.6 | -174.2 | 177.9 | 0.5 | 113.8 | ||||
| 128 | R | 30.7 | Very low | 33.8 | Very low | 236 Ų | 236 | 141 Ų | 141 | 89% | 0.891 | 76% | 0.764 | S | S | * | * | trans | -26.4 | 148.8 | 169.1 | -61.8 | 171 | 174.7 | 166 | -2.6 | 118.5 | ||||
| 129 | K | 30.6 | Very low | 34.7 | Very low | 195 Ų | 195 | 139.5 Ų | 139.5 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | -136.9 | -148.2 | 115.8 | -145.2 | -167.4 | 177.1 | -174.9 | 0 | 112.1 | |||||
| 130 | S | 30.2 | Very low | 34.7 | Very low | 92 Ų | 92 | 141.2 Ų | 141.2 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | trans | -169.4 | -177 | -158.8 | 69.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 131 | S | 33.2 | Very low | 35.5 | Very low | 85 Ų | 85 | 139.4 Ų | 139.4 | 59% | 0.594 | 75% | 0.749 | S | S | * | * | cis | -173.2 | 162.8 | 14.4 | 18.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 132 | H | 35 | Very low | 35.7 | Very low | 177 Ų | 177 | 139.1 Ų | 139.1 | 82% | 0.819 | 75% | 0.752 | S | S | * | * | trans | 70.2 | 134.7 | 167.9 | -65.8 | -73.1 | 0 | 0 | 0 | 116.9 | ||||
| 133 | C | 30 | Very low | 34.2 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 73% | 0.73 | 75% | 0.754 | S | S | * | * | cis | -156.8 | -170.6 | -0 | -130.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 134 | S | 31.9 | Very low | 33.5 | Very low | 96 Ų | 96 | 138.7 Ų | 138.7 | 67% | 0.671 | 76% | 0.76 | S | S | * | * | cis | -160.9 | 176.4 | 9.8 | -139.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 135 | V | 33.1 | Very low | 33.7 | Very low | 134 Ų | 134 | 137.1 Ų | 137.1 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | trans | -5.9 | 140.9 | 146.1 | 175.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 136 | A | 31.3 | Very low | 33.6 | Very low | 92 Ų | 92 | 136.1 Ų | 136.1 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | cis | -142.6 | -169 | 24.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 137 | K | 31.4 | Very low | 33.7 | Very low | 169 Ų | 169 | 134.8 Ų | 134.8 | 74% | 0.735 | 76% | 0.764 | S | S | * | * | trans | -157.3 | 159.7 | -164.7 | -99.3 | 178.9 | 162.4 | -117.7 | 0 | 111.6 | ||||
| 138 | E | 29.8 | Very low | 33.8 | Very low | 145 Ų | 145 | 130.5 Ų | 130.5 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | cis | -152.4 | -63.3 | -4.5 | -144.1 | 156.3 | -170.7 | 0 | 0 | 119.1 | ||||
| 139 | P | 51.4 | Low | 33.9 | Very low | 118 Ų | 118 | 128.1 Ų | 128.1 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | trans | -122.1 | 174.9 | -135.6 | 40.8 | -29.6 | 0 | 0 | 0 | 120.7 | ||||
| 140 | T | 33.8 | Very low | 34.2 | Very low | 131 Ų | 131 | 123 Ų | 123 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | -61.7 | 172.7 | 172.9 | 30.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 141 | P | 50.4 | Low | 35.3 | Very low | 114 Ų | 114 | 123.8 Ų | 123.8 | 74% | 0.74 | 76% | 0.76 | S | S | * | * | cis | -156.2 | 172.7 | 39.2 | 44.2 | -21.1 | 0 | 0 | 0 | 122.4 | ||||
| 142 | V | 32.7 | Very low | 35.3 | Very low | 136 Ų | 136 | 128.9 Ų | 128.9 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | 46.7 | 114.6 | 139 | -179.4 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 143 | A | 33.2 | Very low | 35.4 | Very low | 88 Ų | 88 | 126.1 Ų | 126.1 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | 41.4 | 136 | 134 | 0 | 0 | 0 | 0 | 0 | 127.4 | ||||
| 144 | S | 33.9 | Very low | 36.4 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | trans | 173.9 | 156.4 | 143.2 | -78 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 145 | V | 32.1 | Very low | 36.7 | Very low | 131 Ų | 131 | 128.1 Ų | 128.1 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | cis | 154.4 | 162.4 | -12.7 | 151.2 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 146 | V | 31.3 | Very low | 37 | Very low | 127 Ų | 127 | 127.5 Ų | 127.5 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | 85.5 | 131.1 | -177.3 | -170.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 147 | S | 31.1 | Very low | 38.1 | Very low | 104 Ų | 104 | 128.7 Ų | 128.7 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | cis | 125.7 | 101.9 | -16.7 | -60.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 148 | V | 33.8 | Very low | 38.7 | Very low | 143 Ų | 143 | 126.3 Ų | 126.3 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | trans | -160.2 | 133.5 | 152.2 | -142.4 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 149 | E | 31.8 | Very low | 39.6 | Very low | 185 Ų | 185 | 125.2 Ų | 125.2 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | cis | 93.7 | 125.6 | 14.8 | -156 | 163.5 | -67.8 | 0 | 0 | 113.6 | ||||
| 150 | A | 36.7 | Very low | 39 | Very low | 87 Ų | 87 | 125.7 Ų | 125.7 | 72% | 0.719 | 79% | 0.788 | S | S | * | * | cis | -142.6 | -136.4 | -5.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 151 | P | 53.3 | Low | 39 | Very low | 110 Ų | 110 | 125.9 Ų | 125.9 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | cis | -136.3 | 151.7 | -24.7 | 37 | -17.6 | 0 | 0 | 0 | 117.8 | ||||
| 152 | M | 33.2 | Very low | 38.3 | Very low | 191 Ų | 191 | 128 Ų | 128 | 94% | 0.941 | 79% | 0.793 | S | S | * | * | trans | 68.3 | 145.9 | 140.4 | -68.7 | -177.2 | 171.1 | 0 | 0 | 125.2 | ||||
| 153 | T | 37.6 | Very low | 38.2 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 73% | 0.73 | 79% | 0.789 | S | S | * | * | trans | -136.8 | 174.7 | 174.7 | 57.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 154 | P | 51.2 | Low | 38.5 | Very low | 122 Ų | 122 | 127.3 Ų | 127.3 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | -136.3 | 135.5 | 118.7 | 34.9 | -23.9 | 0 | 0 | 0 | 112 | |||||
| 155 | V | 38.7 | Very low | 39 | Very low | 125 Ų | 125 | 127.5 Ų | 127.5 | 76% | 0.758 | 79% | 0.787 | S | S | * | * | 85.9 | 107.6 | 54.2 | 173.5 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 156 | S | 37.6 | Very low | 39.1 | Very low | 120 Ų | 120 | 129.5 Ų | 129.5 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | trans | -167.2 | 157.3 | 149 | -81.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 157 | P | 55.3 | Low | 39.2 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | trans | -115 | 169.3 | -148.1 | 41.2 | -34.4 | 0 | 0 | 0 | 117.6 | ||||
| 158 | P | 44.9 | Very low | 39.2 | Very low | 119 Ų | 119 | 127.5 Ų | 127.5 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -102.9 | -161.7 | 174.6 | 47.7 | -39.5 | 0 | 0 | 0 | 111.2 | ||||
| 159 | P | 48.8 | Very low | 39.1 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | -108.7 | 171.1 | -124.3 | 13.7 | 12.2 | 0 | 0 | 0 | 115.8 | |||||
| 160 | V | 37.3 | Very low | 39.1 | Very low | 128 Ų | 128 | 128.4 Ų | 128.4 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -84.5 | 144 | -177.7 | 177 | 0 | 0 | 0 | 0 | 112.7 | I162 | V160-I162 HydrophobicContact CG1-CG1 4.21Š| ||
| 161 | V | 33.6 | Very low | 39 | Very low | 135 Ų | 135 | 131.5 Ų | 131.5 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -127.1 | 136.5 | 167.2 | 177.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 162 | I | 36.3 | Very low | 37.9 | Very low | 159 Ų | 159 | 131.8 Ų | 131.8 | 82% | 0.815 | 79% | 0.792 | S | S | * | * | trans | -133.3 | 147.3 | 168 | -64.7 | -177.2 | 0 | 0 | 0 | 108.3 | V160 | V160-I162 HydrophobicContact CG1-CG1 4.21Š| ||
| 163 | A | 30.9 | Very low | 38.1 | Very low | 90 Ų | 90 | 130.9 Ų | 130.9 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | trans | -108.7 | -169.8 | -166.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 164 | T | 38.7 | Very low | 38 | Very low | 118 Ų | 118 | 132 Ų | 132 | 72% | 0.724 | 79% | 0.792 | S | S | * | * | trans | -77.8 | 178.3 | -173.1 | 51.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 165 | P | 44.9 | Very low | 37.2 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | -125.1 | 152.6 | 87.3 | 37.6 | -31.6 | 0 | 0 | 0 | 112.2 | |||||
| 166 | E | 34.1 | Very low | 37.2 | Very low | 174 Ų | 174 | 131.5 Ų | 131.5 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | cis | 91.2 | 106.9 | 27.4 | -167.7 | 178.2 | -157.7 | 0 | 0 | 116.4 | ||||
| 167 | A | 33.5 | Very low | 36.8 | Very low | 99 Ų | 99 | 133.1 Ų | 133.1 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 176.5 | 142.3 | 139.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 168 | A | 30.7 | Very low | 35.9 | Very low | 89 Ų | 89 | 135 Ų | 135 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | cis | -162.2 | 158.3 | -18.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 169 | M | 32.8 | Very low | 35.4 | Very low | 163 Ų | 163 | 134.8 Ų | 134.8 | 80% | 0.803 | 79% | 0.794 | S | S | * | * | trans | 32.1 | 142.8 | 150.1 | -66.5 | -168.6 | -171.8 | 0 | 0 | 121.5 | ||||
| 170 | K | 30.8 | Very low | 34.7 | Very low | 184 Ų | 184 | 136.7 Ų | 136.7 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | cis | -164.8 | 172.8 | 31.2 | -133.5 | 156.3 | -170.4 | 167.8 | 0 | 113.8 | ||||
| 171 | I | 33.8 | Very low | 34.4 | Very low | 152 Ų | 152 | 137.3 Ų | 137.3 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | -74 | 142.7 | -172.6 | -55.2 | 144.6 | 0 | 0 | 0 | 114.5 | ||||
| 172 | S | 32.1 | Very low | 34.2 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | -167.4 | 141.5 | 141.6 | 56.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 173 | H | 36.8 | Very low | 33.9 | Very low | 172 Ų | 172 | 136.4 Ų | 136.4 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | trans | -93.4 | 157.9 | 163.8 | -62.1 | -118.1 | 0 | 0 | 0 | 110.2 | ||||
| 174 | T | 34.2 | Very low | 33.9 | Very low | 143 Ų | 143 | 136.5 Ų | 136.5 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | 165.1 | 154.1 | 118.1 | 43.4 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 175 | S | 35.3 | Very low | 33.4 | Very low | 111 Ų | 111 | 139.8 Ų | 139.8 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -81.3 | 158.4 | 170.5 | -47.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 176 | P | 39.6 | Very low | 32.6 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | -93.5 | 141.7 | 165.6 | 35.6 | -30.9 | 0 | 0 | 0 | 112.7 | ||||
| 177 | D | 29 | Very low | 32.3 | Very low | 154 Ų | 154 | 140.9 Ų | 140.9 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | -151.6 | 172.3 | 172.2 | -112.5 | -40.9 | 0 | 0 | 0 | 107.5 | ||||
| 178 | I | 35.3 | Very low | 32.1 | Very low | 159 Ų | 159 | 142.2 Ų | 142.2 | 82% | 0.815 | 78% | 0.779 | S | S | * | * | trans | 72.9 | 148.6 | 170.2 | -63 | 169.9 | 0 | 0 | 0 | 114.3 | ||||
| 179 | P | 34.8 | Very low | 32 | Very low | 114 Ų | 114 | 145.5 Ų | 145.5 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | cis | -121.5 | 169.1 | 7.3 | 18.4 | 5.8 | 0 | 0 | 0 | 117.5 | ||||
| 180 | L | 33.7 | Very low | 31.6 | Very low | 162 Ų | 162 | 140.9 Ų | 140.9 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | trans | -115.8 | 173.1 | 150.1 | -98.5 | 171.6 | 0 | 0 | 0 | 109.9 | ||||
| 181 | D | 30.9 | Very low | 31.5 | Very low | 140 Ų | 140 | 138.7 Ų | 138.7 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | trans | 88.7 | 117.4 | 164.5 | -69.4 | -25 | 0 | 0 | 0 | 121.4 | ||||
| 182 | A | 30.4 | Very low | 31.3 | Very low | 104 Ų | 104 | 139.6 Ų | 139.6 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -151.1 | 133.2 | 145.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 183 | Q | 29.3 | Very low | 31.2 | Very low | 172 Ų | 172 | 140.5 Ų | 140.5 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -111.5 | 149.3 | -174.7 | -59.8 | -177.6 | -1.2 | 0 | 0 | 113.6 | ||||
| 184 | S | 31 | Very low | 30.9 | Very low | 91 Ų | 91 | 139.7 Ų | 139.7 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | 134.1 | 146.6 | 110.2 | 72.9 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 185 | K | 28.6 | Very low | 31.3 | Very low | 187 Ų | 187 | 139.3 Ų | 139.3 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | 69.8 | 141.6 | 140.9 | -80.7 | 166 | -174.4 | 173.1 | 0 | 119.3 | ||||
| 186 | T | 27.3 | Very low | 31.1 | Very low | 115 Ų | 115 | 145 Ų | 145 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | cis | -162.2 | 159 | -5.2 | -19.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 187 | R | 29 | Very low | 30.6 | Very low | 206 Ų | 206 | 147.1 Ų | 147.1 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | trans | 67.2 | 157.6 | 149.4 | -90 | -171.9 | 165.1 | 149.2 | -2.5 | 119.8 | ||||
| 188 | E | 28.6 | Very low | 30.6 | Very low | 128 Ų | 128 | 147.1 Ų | 147.1 | 60% | 0.598 | 78% | 0.783 | S | S | * | * | cis | -164.6 | 161.4 | -19.5 | -144.9 | 156.4 | -133.5 | 0 | 0 | 109.7 | ||||
| 189 | N | 28 | Very low | 30.7 | Very low | 158 Ų | 158 | 150.6 Ų | 150.6 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | trans | 66.3 | 156.2 | 170.7 | -50.4 | -44.5 | 0 | 0 | 0 | 118.2 | ||||
| 190 | G | 25.4 | Very low | 30.3 | Very low | 66 Ų | 66 | 154.3 Ų | 154.3 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | cis | 166.4 | 149 | -14.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 191 | V | 28.4 | Very low | 30.3 | Very low | 138 Ų | 138 | 152.6 Ų | 152.6 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | trans | 83.4 | 135.3 | 157 | -174.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 192 | H | 30.6 | Very low | 30.2 | Very low | 170 Ų | 170 | 152.7 Ų | 152.7 | 79% | 0.787 | 80% | 0.796 | S | S | * | * | trans | -7.8 | 148.7 | 166.4 | -56.7 | -49 | 0 | 0 | 0 | 122.4 | ||||
| 193 | T | 29.1 | Very low | 30.2 | Very low | 136 Ų | 136 | 156 Ų | 156 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | -167.5 | 157.5 | 75.1 | 29.7 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 194 | N | 30.9 | Very low | 30.5 | Very low | 155 Ų | 155 | 153.7 Ų | 153.7 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | trans | -98.4 | 164.2 | 163.1 | -74.3 | -28.5 | 0 | 0 | 0 | 110.1 | ||||
| 195 | P | 42.7 | Very low | 30.5 | Very low | 134 Ų | 134 | 153.2 Ų | 153.2 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | -133.8 | -174.9 | 111.9 | 37.8 | -28.7 | 0 | 0 | 0 | 114.6 | |||||
| 196 | R | 29.7 | Very low | 31.3 | Very low | 231 Ų | 231 | 150.2 Ų | 150.2 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | -144.1 | 136.1 | -161.1 | 151.6 | -165.4 | 171.4 | -171.6 | 0.1 | 110.1 | ||||
| 197 | M | 30.5 | Very low | 31.5 | Very low | 169 Ų | 169 | 148.1 Ų | 148.1 | 83% | 0.833 | 80% | 0.796 | S | S | * | * | trans | 174.3 | 162.5 | 155.9 | -101.9 | 164.9 | 157.2 | 0 | 0 | 109.7 | ||||
| 198 | Q | 29 | Very low | 31.7 | Very low | 154 Ų | 154 | 146 Ų | 146 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | cis | -167.5 | 153.6 | -35.1 | 169.4 | 161.9 | -34.9 | 0 | 0 | 108.9 | ||||
| 199 | R | 36 | Very low | 32 | Very low | 233 Ų | 233 | 147 Ų | 147 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | trans | -65.8 | 146.3 | 172.4 | -79.3 | 178.9 | 164.7 | -170.4 | -4.5 | 112.1 | ||||
| 200 | Q | 28 | Very low | 32.2 | Very low | 191 Ų | 191 | 146.9 Ų | 146.9 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | -156.5 | 173.9 | 132.2 | -126.5 | 164.7 | -15.3 | 0 | 0 | 113.6 | ||||
| 201 | T | 32.7 | Very low | 32.4 | Very low | 126 Ų | 126 | 146.5 Ų | 146.5 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | -136.8 | 147.1 | -166.3 | -54.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 202 | T | 29.4 | Very low | 32.7 | Very low | 143 Ų | 143 | 149.3 Ų | 149.3 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | -141.8 | 145 | 160.2 | 42.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 203 | E | 30.7 | Very low | 32.7 | Very low | 174 Ų | 174 | 145.2 Ų | 145.2 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | trans | -119.2 | 167.2 | 175.1 | -146.6 | -177.7 | -139.6 | 0 | 0 | 107.7 | ||||
| 204 | P | 34.8 | Very low | 33 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | -149.7 | 169.5 | 84 | 38.6 | -19.8 | 0 | 0 | 0 | 116.3 | |||||
| 205 | A | 31.2 | Very low | 33.2 | Very low | 80 Ų | 80 | 143.9 Ų | 143.9 | 66% | 0.661 | 80% | 0.795 | S | S | * | * | trans | -97.9 | -159.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 206 | P | 44.4 | Very low | 32.9 | Very low | 124 Ų | 124 | 148.2 Ų | 148.2 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | cis | -115.2 | 173.6 | 4.4 | 41.7 | -28.9 | 0 | 0 | 0 | 113.7 | ||||
| 207 | G | 31.8 | Very low | 33.2 | Very low | 72 Ų | 72 | 147.8 Ų | 147.8 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | cis | -173.1 | -145.5 | 0.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 208 | Q | 33.3 | Very low | 33.3 | Very low | 160 Ų | 160 | 147.5 Ų | 147.5 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | cis | -153.5 | 164.7 | -4.8 | -78.4 | 178.9 | -110.8 | 0 | 0 | 109.1 | ||||
| 209 | E | 34.8 | Very low | 33.5 | Very low | 151 Ų | 151 | 148.8 Ų | 148.8 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | 32.1 | 137.3 | 139.7 | -65 | 170.4 | -111.9 | 0 | 0 | 122.3 | ||||
| 210 | M | 32.7 | Very low | 33.1 | Very low | 154 Ų | 154 | 144.8 Ų | 144.8 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | cis | -167.5 | 154.9 | 0.7 | -174.8 | 72.2 | 81.3 | 0 | 0 | 108.3 | ||||
| 211 | G | 30.7 | Very low | 33.3 | Very low | 58 Ų | 58 | 143.6 Ų | 143.6 | 60% | 0.598 | 79% | 0.792 | S | S | * | * | cis | 153.6 | 144.4 | -11.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 212 | Q | 33 | Very low | 33.1 | Very low | 197 Ų | 197 | 143.2 Ų | 143.2 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | 72.4 | 145.7 | 167.5 | -50.6 | -168.5 | 12.1 | 0 | 0 | 120.7 | ||||
| 213 | G | 31 | Very low | 33.3 | Very low | 84 Ų | 84 | 143.3 Ų | 143.3 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | trans | 148.3 | 83.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 214 | S | 35.6 | Very low | 33.5 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -123.8 | 137.3 | 172.3 | 177.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 215 | I | 35.5 | Very low | 33.1 | Very low | 145 Ų | 145 | 141 Ų | 141 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | trans | -153.7 | 138.7 | 163.5 | -105.9 | 150.2 | 0 | 0 | 0 | 111.1 | R217 | I215-R217 HydrophobicContact CG2-CG 4.08Š| ||
| 216 | R | 36.1 | Very low | 32.9 | Very low | 226 Ų | 226 | 146.6 Ų | 146.6 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -109.8 | 132.2 | 176.5 | 176.4 | -173.9 | -176.9 | -172.7 | 2.2 | 107.8 | ||||
| 217 | R | 35.4 | Very low | 32.1 | Very low | 221 Ų | 221 | 147.3 Ų | 147.3 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | -126.4 | 110.7 | 173.4 | -69.7 | -168.7 | -177.4 | 179.8 | 2.9 | 112.1 | I215 | I215-R217 HydrophobicContact CG2-CG 4.08Š| ||
| 218 | H | 33.7 | Very low | 32.2 | Very low | 163 Ų | 163 | 150.6 Ų | 150.6 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -75.3 | 157.6 | 145.8 | -102.6 | -113.2 | 0 | 0 | 0 | 108.5 | ||||
| 219 | M | 32.6 | Very low | 32 | Very low | 182 Ų | 182 | 147.3 Ų | 147.3 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | trans | -128.9 | 157 | 143.5 | -75 | -142.9 | -63.1 | 0 | 0 | 109.1 | ||||
| 220 | N | 28.6 | Very low | 31.8 | Very low | 148 Ų | 148 | 149.5 Ų | 149.5 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | -132.7 | 160.4 | -175.6 | -159.5 | 2.5 | 0 | 0 | 0 | 109 | ||||
| 221 | L | 31.3 | Very low | 31.5 | Very low | 166 Ų | 166 | 151.3 Ų | 151.3 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | trans | -79.3 | 148.1 | -172.6 | -71.4 | 75.7 | 0 | 0 | 0 | 112.3 | ||||
| 222 | S | 29.4 | Very low | 31.3 | Very low | 119 Ų | 119 | 154.8 Ų | 154.8 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | -147 | 142.4 | 155 | 50.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 223 | N | 32 | Very low | 31.1 | Very low | 144 Ų | 144 | 155.2 Ų | 155.2 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | trans | -102.5 | 153 | -174.1 | -144.7 | 57.9 | 0 | 0 | 0 | 110.3 | ||||
| 224 | P | 35 | Very low | 31 | Very low | 113 Ų | 113 | 160.1 Ų | 160.1 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | -115.8 | 143.9 | 154.9 | 35.4 | -26.4 | 0 | 0 | 0 | 112 | ||||
| 225 | D | 27.5 | Very low | 30.6 | Very low | 135 Ų | 135 | 161.8 Ų | 161.8 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | trans | -92.1 | -157.5 | 176.2 | -63.1 | -64.9 | 0 | 0 | 0 | 112.3 | ||||
| 226 | F | 26.6 | Very low | 30.3 | Very low | 199 Ų | 199 | 160 Ų | 160 | 87% | 0.873 | 80% | 0.803 | S | S | * | * | trans | 86.8 | 150.3 | 175.1 | -68.2 | -104.4 | 0 | 0 | 0 | 117.4 | ||||
| 227 | N | 27.8 | Very low | 30.2 | Very low | 138 Ų | 138 | 156.4 Ų | 156.4 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | cis | -168.6 | 151.2 | -35.9 | -167.6 | -8.8 | 0 | 0 | 0 | 106 | ||||
| 228 | V | 34.6 | Very low | 30 | Very low | 142 Ų | 142 | 152.4 Ų | 152.4 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | -110.9 | 91.9 | -171.4 | -177.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 229 | A | 28.7 | Very low | 30.1 | Very low | 91 Ų | 91 | 148.5 Ų | 148.5 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | trans | -166.6 | 71.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 230 | Q | 29.2 | Very low | 30.2 | Very low | 197 Ų | 197 | 149.2 Ų | 149.2 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | trans | -155.3 | 93.9 | 155.1 | -122.1 | 168.2 | 2 | 0 | 0 | 114.2 | ||||
| 231 | F | 27 | Very low | 30.4 | Very low | 192 Ų | 192 | 145.7 Ų | 145.7 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | trans | -67.9 | 166.4 | 147.3 | -81.4 | -95.3 | 0 | 0 | 0 | 108.5 | ||||
| 232 | Q | 27.3 | Very low | 30.9 | Very low | 130 Ų | 130 | 146.3 Ų | 146.3 | 61% | 0.607 | 81% | 0.81 | S | S | * | * | cis | -164.4 | 153.1 | 26.2 | -147.3 | 173.5 | 69.8 | 0 | 0 | 110.6 | ||||
| 233 | R | 29.2 | Very low | 31.1 | Very low | 207 Ų | 207 | 144.3 Ų | 144.3 | 78% | 0.781 | 81% | 0.808 | S | S | * | * | trans | 63.5 | 123.2 | 163.5 | -40.3 | 178.6 | -156.1 | -170.5 | 4 | 118.1 | ||||
| 234 | Q | 28.4 | Very low | 31.7 | Very low | 186 Ų | 186 | 146 Ų | 146 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | -165.7 | 117.2 | 102 | -167.4 | 92.7 | 4.2 | 0 | 0 | 108.2 | |||||
| 235 | D | 27.5 | Very low | 32.3 | Very low | 153 Ų | 153 | 144.6 Ų | 144.6 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -78.9 | 134.5 | 173.8 | -69.2 | -81.8 | 0 | 0 | 0 | 111.5 | ||||
| 236 | S | 29 | Very low | 32.9 | Very low | 107 Ų | 107 | 149.6 Ų | 149.6 | 75% | 0.748 | 83% | 0.831 | S | S | * | * | 160 | 160.6 | 129.5 | 53.3 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 237 | L | 32.8 | Very low | 33.6 | Very low | 152 Ų | 152 | 147.3 Ų | 147.3 | 80% | 0.796 | 83% | 0.827 | S | S | * | * | trans | 64.6 | 66.3 | 165.3 | -60.5 | 173.6 | 0 | 0 | 0 | 118.4 | ||||
| 238 | T | 30.9 | Very low | 34.2 | Very low | 137 Ų | 137 | 148.1 Ų | 148.1 | 84% | 0.84 | 82% | 0.824 | S | S | * | * | 46 | 98.8 | 126.4 | 57.5 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 239 | G | 36.5 | Very low | 34.7 | Very low | 80 Ų | 80 | 146.2 Ų | 146.2 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | 103.6 | 36.3 | 103.6 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 240 | M | 35.1 | Very low | 35.4 | Very low | 198 Ų | 198 | 147.7 Ų | 147.7 | 98% | 0.975 | 81% | 0.806 | S | S | * | * | trans | -143 | 122.1 | 157.9 | -104.1 | -169 | -74.1 | 0 | 0 | 112.2 | ||||
| 241 | G | 32.9 | Very low | 36 | Very low | 74 Ų | 74 | 145.2 Ų | 145.2 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | trans | 155.2 | 105.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 242 | L | 42.4 | Very low | 36.5 | Very low | 179 Ų | 179 | 145.4 Ų | 145.4 | 94% | 0.937 | 80% | 0.795 | S | S | * | * | trans | 42.1 | 98.4 | 149 | -55.7 | 176.9 | 0 | 0 | 0 | 119.1 | ||||
| 243 | G | 32.6 | Very low | 36.8 | Very low | 77 Ų | 77 | 145.9 Ų | 145.9 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | -125.8 | 107.7 | 161.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 244 | L | 44.7 | Very low | 37.3 | Very low | 178 Ų | 178 | 144.8 Ų | 144.8 | 93% | 0.932 | 80% | 0.798 | S | S | * | * | trans | -67.7 | 147.5 | 171.6 | -106.4 | 69.2 | 0 | 0 | 0 | 110.9 | ||||
| 245 | G | 47.4 | Very low | 37.5 | Very low | 85 Ų | 85 | 147.3 Ų | 147.3 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | trans | 76.5 | 36.1 | 156.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 246 | R | 40 | Very low | 37.7 | Very low | 239 Ų | 239 | 144.4 Ų | 144.4 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 119.8 | 166.9 | -149.7 | 178.2 | -162.9 | -155.6 | 4 | 111 | K248 | R246-K248 PolarHBondContact O-N 2.89Š|
| 247 | L | 42.1 | Very low | 38.5 | Very low | 152 Ų | 152 | 148 Ų | 148 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 130.6 | 172 | -71.1 | 165.7 | 0 | 0 | 0 | 110 | P249 | L247-P249 WeakPolarHBondContact O-CD 3.49Š|
| 248 | K | 40.2 | Very low | 38.6 | Very low | 155 Ų | 155 | 149.3 Ų | 149.3 | 67% | 0.674 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 116.1 | 174.6 | -78.2 | -173.7 | 174.3 | -177.7 | 0 | 109.9 | R246 E250 L251 | R246-K248 PolarHBondContact O-N 2.89Å; K248-E250 PolarHBondContact O-N 2.91Å; K248-L251 PolarHBondContact O-N 2.84Å |
| 249 | P | 44.9 | Very low | 39 | Very low | 101 Ų | 101 | 146.7 Ų | 146.7 | 66% | 0.656 | 80% | 0.804 | S | S | * | * | G | 310 helix | trans | -63.6 | -24.6 | 178.4 | -22.4 | 35.2 | 0 | 0 | 0 | 113.4 | L247 L251 Y252 | L247-P249 WeakPolarHBondContact O-CD 3.49Å; P249-L251 PolarHBondContact O-N 2.94Å; P249-L251 VanDerWaalsContact O-N 3.13Å; P249-Y252 PolarHBondContact O-N 2.9Å |
| 250 | E | 43.1 | Very low | 38.9 | Very low | 123 Ų | 123 | 150 Ų | 150 | 58% | 0.575 | 80% | 0.803 | S | S | * | * | G | 310 helix | trans | -59.2 | -20.9 | 177.5 | -59.8 | -57.9 | 135.3 | 0 | 0 | 114.1 | K248 Y252 K253 | K248-E250 PolarHBondContact O-N 2.91Å; E250-Y252 VanDerWaalsContact C-N 3.3Å; E250-K253 IonicContact OE1-NZ 3.85Å; E250-K253 PolarHBondContact OE1-NZ 2.8Å; E250-K253 WeakPolarHBondContact OE2-CD 3.48Å; E250-K253 WeakPolarHBondContact OE2-CE 3.34Å; E250-K253 IonicContact OE2-NZ 3.25Å; E250-K253 PolarHBondContact OE2-NZ 3.42Å |
| 251 | L | 41.2 | Very low | 39.3 | Very low | 145 Ų | 145 | 148.2 Ų | 148.2 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | G | 310 helix | trans | -80.7 | -6.4 | 173.6 | -81 | 164.3 | 0 | 0 | 0 | 113.9 | K248 P249 | K248-L251 PolarHBondContact O-N 2.84Å; P249-L251 PolarHBondContact O-N 2.94Å; P249-L251 VanDerWaalsContact O-N 3.13Å |
| 252 | Y | 38.1 | Very low | 39.5 | Very low | 195 Ų | 195 | 147.4 Ų | 147.4 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | G | 310 helix | trans | -118.9 | 18.5 | 179.9 | -74.8 | -87.9 | 0 | 0 | 0 | 112.9 | P249 E250 Q254 | P249-Y252 PolarHBondContact O-N 2.9Å; E250-Y252 VanDerWaalsContact C-N 3.3Å; Y252-Q254 VanDerWaalsContact C-N 3.3Å; Y252-Q254 PolarHBondContact O-N 2.85Å |
| 253 | K | 34.5 | Very low | 39.2 | Very low | 141 Ų | 141 | 143.7 Ų | 143.7 | 61% | 0.613 | 77% | 0.773 | S | S | * | * | trans | -72.7 | 88.1 | 168.2 | -80.5 | -178.6 | 179.3 | 163 | 0 | 110.3 | E250 R255 | E250-K253 IonicContact OE1-NZ 3.85Å; E250-K253 PolarHBondContact OE1-NZ 2.8Å; E250-K253 WeakPolarHBondContact OE2-CD 3.48Å; E250-K253 WeakPolarHBondContact OE2-CE 3.34Å; E250-K253 IonicContact OE2-NZ 3.25Å; E250-K253 PolarHBondContact OE2-NZ 3.42Å; K253-R255 PolarHBondContact O-N 3.39Å | ||
| 254 | Q | 38.7 | Very low | 39.6 | Very low | 183 Ų | 183 | 150.2 Ų | 150.2 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | trans | -45.3 | 109.8 | 159.3 | 176.9 | 175.6 | -23.9 | 0 | 0 | 108.6 | Y252 S256 | Y252-Q254 VanDerWaalsContact C-N 3.3Å; Y252-Q254 PolarHBondContact O-N 2.85Å; Q254-S256 PolarHBondContact O-N 3.18Å | ||
| 255 | R | 32.8 | Very low | 39.4 | Very low | 240 Ų | 240 | 152.8 Ų | 152.8 | 91% | 0.906 | 77% | 0.771 | S | S | * | * | trans | -70.2 | 101.5 | -177.1 | -175.9 | -179.2 | -93.6 | -177.8 | -7.5 | 108.4 | K253 | K253-R255 PolarHBondContact O-N 3.39Š| ||
| 256 | S | 32.9 | Very low | 39.1 | Very low | 92 Ų | 92 | 152.6 Ų | 152.6 | 64% | 0.643 | 77% | 0.769 | S | S | * | * | trans | -60 | 135.4 | -179.1 | 45.1 | 0 | 0 | 0 | 0 | 111.6 | Q254 E258 | Q254-S256 PolarHBondContact O-N 3.18Å; S256-E258 VanDerWaalsContact C-N 3.31Å; S256-E258 PolarHBondContact O-N 2.82Å | ||
| 257 | L | 44.6 | Very low | 39.7 | Very low | 181 Ų | 181 | 145.1 Ų | 145.1 | 95% | 0.948 | 77% | 0.766 | S | S | * | * | trans | -79.6 | 77.9 | 173.4 | -74.3 | 166.8 | 0 | 0 | 0 | 110.1 | ||||
| 258 | E | 34.6 | Very low | 41.1 | Very low | 180 Ų | 180 | 140.6 Ų | 140.6 | 84% | 0.841 | 76% | 0.756 | S | S | * | * | trans | -125.8 | 140.2 | 163 | -66.6 | -169.1 | 163.2 | 0 | 0 | 108.9 | S256 | S256-E258 VanDerWaalsContact C-N 3.31Å; S256-E258 PolarHBondContact O-N 2.82Å | ||
| 259 | G | 40.8 | Very low | 43.4 | Very low | 83 Ų | 83 | 133.6 Ų | 133.6 | 86% | 0.856 | 73% | 0.727 | S | S | * | * | trans | -90.1 | 146.3 | -150.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 260 | D | 32.9 | Very low | 45.7 | Very low | 148 Ų | 148 | 129.2 Ų | 129.2 | 79% | 0.791 | 70% | 0.7 | S | S | * | * | trans | -114.5 | 102 | 157.8 | -179.4 | 34 | 0 | 0 | 0 | 108.2 | G262 | D260-G262 PolarHBondContact O-N 3.23Š| ||
| 261 | E | 43.8 | Very low | 48.3 | Very low | 162 Ų | 162 | 127.4 Ų | 127.4 | 76% | 0.757 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | 58.2 | 174.7 | -87.5 | -88.5 | 104.6 | 0 | 0 | 110 | R264 | E261-R264 IonicContact OE1-CZ 2.92Å; E261-R264 IonicContact OE1-NE 2.57Å; E261-R264 PolarHBondContact OE1-NE 3.47Å; E261-R264 IonicContact OE1-NH2 3.14Å; E261-R264 PolarHBondContact OE1-NH2 2.87Å; E261-R264 IonicContact OE2-NH2 2.73Å |
| 262 | G | 37.8 | Very low | 51 | Low | 56 Ų | 56 | 120.5 Ų | 120.5 | 58% | 0.577 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.6 | -18.6 | -168.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | D260 | D260-G262 PolarHBondContact O-N 3.23Š|
| 263 | S | 36.4 | Very low | 53.8 | Low | 102 Ų | 102 | 113 Ų | 113 | 71% | 0.713 | 62% | 0.623 | S | S | * | * | trans | -152.7 | 83.4 | -178.8 | -165.7 | 0 | 0 | 0 | 0 | 114.8 | R265 | S263-R265 PolarHBondContact O-N 2.86Š| ||
| 264 | R | 40.4 | Very low | 56.8 | Low | 214 Ų | 214 | 106.4 Ų | 106.4 | 81% | 0.808 | 60% | 0.595 | S | S | * | * | trans | -90.8 | 72.8 | 163.8 | -64.2 | -168.7 | -167 | -168.7 | 7.9 | 111.2 | E261 | E261-R264 IonicContact OE1-CZ 2.92Å; E261-R264 IonicContact OE1-NE 2.57Å; E261-R264 PolarHBondContact OE1-NE 3.47Å; E261-R264 IonicContact OE1-NH2 3.14Å; E261-R264 PolarHBondContact OE1-NH2 2.87Å; E261-R264 IonicContact OE2-NH2 2.73Å | ||
| 265 | R | 39.9 | Very low | 59.6 | Low | 231 Ų | 231 | 99 Ų | 99 | 87% | 0.872 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -125.1 | 128.3 | 154.6 | -71.3 | -168.8 | 176.9 | -149.7 | -0.6 | 107.9 | S263 | S263-R265 PolarHBondContact O-N 2.86Š|
| 266 | G | 41.5 | Very low | 62.6 | Low | 82 Ų | 82 | 87.6 Ų | 87.6 | 85% | 0.845 | 52% | 0.518 | S | S | * | . | trans | -64.3 | 136.6 | -166.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G268 | G266-G268 PolarHBondContact O-N 2.81Š| ||
| 267 | G | 52.4 | Low | 65.6 | Low | 82 Ų | 82 | 86.9 Ų | 86.9 | 85% | 0.845 | 50% | 0.503 | S | S | * | . | trans | -75 | 88.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 268 | G | 71.7 | Confident | 68 | Low | 56 Ų | 56 | 78.6 Ų | 78.6 | 58% | 0.577 | 46% | 0.46 | S | S | * | . | trans | -69.3 | 156.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G266 G270 | G266-G268 PolarHBondContact O-N 2.81Å; G268-G270 PolarHBondContact O-N 3.12Å; G268-G270 VanDerWaalsContact O-N 3.13Å | ||
| 269 | C | 88.8 | Confident | 70.8 | Confident | 9 Ų | 9 | 71.6 Ų | 71.6 | 6% | 0.061 | 43% | 0.428 | C | S | . | . | trans | -87.8 | 33.4 | -176.7 | -62.1 | 0 | 0 | 0 | 0 | 113.5 | L295 P296 I367 I391 Y393 | C269-L295 WeakPolarHBondContact O-CD2 3.5Å; C269-P296 HydrophobicContact CB-CG 4.34Å; C269-I367 HydrophobicContact CB-CG2 4.24Å; C269-I367 WeakPolarHBondContact CB-O 3.36Å; C269-I367 PolarHBondContact SG-O 3.02Å; C269-I391 HydrophobicContact CB-CB 4.16Å; C269-I391 HydrophobicContact CB-CG2 3.88Å; C269-I391 WeakPolarHBondContact CB-O 3.25Å; C269-I391 PolarHBondContact N-O 3.45Å; C269-I391 WeakPolarHBondContact O-CD1 3.35Å; C269-Y393 VanDerWaalsContact SG-CB 3.54Å; C269-Y393 VanDerWaalsContact SG-CD2 3.53Å | ||
| 270 | G | 93.5 | Very high | 73.1 | Confident | 9 Ų | 9 | 70.1 Ų | 70.1 | 9% | 0.093 | 40% | 0.404 | C | S | . | . | trans | 84 | -166.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | G268 E293 D294 I391 | G268-G270 PolarHBondContact O-N 3.12Å; G268-G270 VanDerWaalsContact O-N 3.13Å; G270-E293 CarbonylContact C-O 3.55Å; G270-E293 WeakPolarHBondContact CA-O 3.31Å; G270-D294 WeakPolarHBondContact CA-O 3.07Å; G270-D294 PolarHBondContact N-O 3.27Å; G270-I391 PolarHBondContact O-N 2.89Å | ||
| 271 | R | 96.4 | Very high | 75.9 | Confident | 85 Ų | 85 | 67 Ų | 67 | 32% | 0.321 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 139.9 | -179.7 | -62.4 | -177.7 | -64 | -81.7 | -10.6 | 111 | A292 E293 D294 R389 E390 | R271-A292 CarbonylContact O-C 3.6Å; R271-A292 VanDerWaalsContact O-CA 3.23Å; R271-A292 WeakPolarHBondContact O-CA 3.49Å; R271-E293 IonicContact CZ-OE2 3.41Å; R271-E293 PolarHBondContact N-O 2.64Å; R271-E293 IonicContact NE-OE2 2.66Å; R271-E293 PolarHBondContact NE-OE2 2.78Å; R271-E293 IonicContact NH2-OE2 2.62Å; R271-E293 PolarHBondContact NH2-OE2 3.03Å; R271-E293 PolarHBondContact O-N 2.99Å; R271-D294 IonicContact CZ-OD2 2.64Å; R271-D294 VanDerWaalsContact CZ-OD2 3.25Å; R271-D294 IonicContact NH1-OD2 3.95Å; R271-D294 PolarHBondContact NH1-OD2 3.46Å; R271-D294 IonicContact NH2-OD2 3.83Å; R271-D294 PolarHBondContact NH2-OD2 3.49Å; R271-R389 CarbonylContact C-O 3.52Å; R271-R389 WeakPolarHBondContact CA-O 3.42Å; R271-E390 HydrophobicContact CG-CG 4.44Å |
| 272 | L | 97.6 | Very high | 78.2 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 127.7 | 171.9 | -170.9 | 65.7 | 0 | 0 | 0 | 110.2 | F274 I289 A292 V308 F353 V370 C388 R389 I391 | L272-F274 HydrophobicContact CB-CD1 4.45Å; L272-F274 HydrophobicContact CD2-CD1 4.18Å; L272-F274 HydrophobicContact CG-CD1 4Å; L272-I289 HydrophobicContact CD1-CG2 4.23Å; L272-A292 HydrophobicContact CD1-CB 4.07Å; L272-V308 HydrophobicContact CD1-CG2 4.21Å; L272-F353 HydrophobicContact CD2-CB 3.88Å; L272-F353 HydrophobicContact CD2-CD1 4.22Å; L272-F353 HydrophobicContact CD2-CD2 4.12Å; L272-F353 HydrophobicContact CD2-CG 3.83Å; L272-V370 HydrophobicContact CB-CG2 4.17Å; L272-V370 HydrophobicContact CD2-CG2 4.4Å; L272-C388 WeakPolarHBondContact O-CA 3.49Å; L272-R389 PolarHBondContact N-O 3.25Å; L272-R389 PolarHBondContact O-N 2.82Å; L272-I391 HydrophobicContact CB-CD1 4.23Å; L272-I391 HydrophobicContact CB-CG1 4.04Å |
| 273 | H | 97.8 | Very high | 80.8 | Confident | 36 Ų | 36 | 67 Ų | 67 | 17% | 0.167 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 122.9 | 174.8 | -65.6 | 79.3 | 0 | 0 | 0 | 110.2 | H290 K291 E293 L387 C388 | H273-H290 PolarHBondContact O-N 2.94Å; H273-K291 WeakPolarHBondContact CA-O 3.27Å; H273-K291 HydrophobicContact CB-CG 3.74Å; H273-K291 WeakPolarHBondContact CB-O 3.47Å; H273-K291 PolarHBondContact N-O 2.89Å; H273-K291 PolarHBondContact O-N 3.12Å; H273-E293 VanDerWaalsContact CE1-CD 3.41Å; H273-E293 IonicContact CE1-OE1 2.72Å; H273-E293 IonicContact CE1-OE2 2.67Å; H273-E293 PolarHBondContact CE1-OE2 2.93Å; H273-E293 IonicContact NE2-OE2 3.27Å; H273-L387 WeakPolarHBondContact CA-O 3.37Å; H273-C388 VanDerWaalsContact CE1-SG 3.5Å; H273-C388 PolarHBondContact NE2-SG 3.16Å |
| 274 | F | 97.6 | Very high | 83.6 | Confident | 3 Ų | 3 | 64.6 Ų | 64.6 | 1% | 0.013 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 164.6 | -177.1 | 58.1 | -78.9 | 0 | 0 | 0 | 110.7 | L272 L276 K288 I289 F353 V370 V372 L387 R389 | L272-F274 HydrophobicContact CB-CD1 4.45Å; L272-F274 HydrophobicContact CD2-CD1 4.18Å; L272-F274 HydrophobicContact CG-CD1 4Å; F274-L276 HydrophobicContact CD2-CD2 3.95Å; F274-L276 HydrophobicContact CD2-CG 4.19Å; F274-L276 HydrophobicContact CE2-CD1 4.34Å; F274-L276 HydrophobicContact CE2-CD2 4.21Å; F274-L276 HydrophobicContact CE2-CG 4.23Å; F274-K288 CarbonylContact C-O 3.47Å; F274-K288 WeakPolarHBondContact CA-O 3.19Å; F274-K288 VanDerWaalsContact CB-O 3.29Å; F274-K288 WeakPolarHBondContact CB-O 3.48Å; F274-I289 HydrophobicContact CB-CD1 4.13Å; F274-F353 HydrophobicContact CD1-CE2 4.37Å; F274-F353 HydrophobicContact CD1-CZ 4.49Å; F274-F353 AromaticContact CD2-CE2 3.91Å; F274-F353 HydrophobicContact CD2-CE2 3.91Å; F274-F353 AromaticContact CD2-CZ 3.59Å; F274-F353 HydrophobicContact CD2-CZ 3.59Å; F274-F353 HydrophobicContact CE1-CE2 4.06Å; F274-F353 AromaticContact CE2-CE2 3.53Å; F274-F353 HydrophobicContact CE2-CE2 3.53Å; F274-F353 AromaticContact CE2-CZ 3.67Å; F274-F353 HydrophobicContact CE2-CZ 3.67Å; F274-F353 HydrophobicContact CG-CE2 4.31Å; F274-F353 HydrophobicContact CG-CZ 4.03Å; F274-F353 HydrophobicContact CZ-CD2 4.49Å; F274-F353 AromaticContact CZ-CE2 3.62Å; F274-F353 HydrophobicContact CZ-CE2 3.62Å; F274-F353 HydrophobicContact CZ-CZ 4.19Å; F274-V370 HydrophobicContact CE1-CG1 4.25Å; F274-V370 HydrophobicContact CZ-CG1 4.38Å; F274-V372 HydrophobicContact CE2-CG2 3.93Å; F274-V372 HydrophobicContact CZ-CG2 3.65Å; F274-L387 HydrophobicContact CD1-CB 4.44Å; F274-L387 HydrophobicContact CD2-CB 4.22Å; F274-L387 HydrophobicContact CD2-CD1 4.36Å; F274-L387 HydrophobicContact CE1-CB 4.05Å; F274-L387 HydrophobicContact CE2-CB 3.83Å; F274-L387 HydrophobicContact CE2-CD1 3.5Å; F274-L387 VanDerWaalsContact CE2-CD1 3.5Å; F274-L387 HydrophobicContact CE2-CG 4.26Å; F274-L387 HydrophobicContact CZ-CB 3.73Å; F274-L387 HydrophobicContact CZ-CD1 3.8Å; F274-L387 HydrophobicContact CZ-CG 4.43Å; F274-L387 PolarHBondContact N-O 2.88Å; F274-L387 PolarHBondContact O-N 3.31Å; F274-L387 VanDerWaalsContact O-O 3.1Å; F274-R389 HydrophobicContact CE1-CB 4.18Å; F274-R389 HydrophobicContact CE1-CG 3.89Å; F274-R389 HydrophobicContact CZ-CG 3.9Å |
| 275 | I | 96.7 | Very high | 86.2 | Confident | 29 Ų | 29 | 54.4 Ų | 54.4 | 15% | 0.149 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 131.9 | -177.7 | -46.5 | -176.8 | 0 | 0 | 0 | 107.9 | K288 E384 T385 K386 | I275-K288 HydrophobicContact CB-CB 4.24Å; I275-K288 HydrophobicContact CD1-CD 4.45Å; I275-K288 PolarHBondContact N-O 3.35Å; I275-K288 PolarHBondContact O-N 3.11Å; I275-E384 HydrophobicContact CG2-CG 3.37Å; I275-T385 WeakPolarHBondContact CA-O 3.28Å; I275-T385 WeakPolarHBondContact CG2-O 3.18Å; I275-K386 HydrophobicContact CD1-CG 4.19Å; I275-K386 HydrophobicContact CG1-CG 4.15Å; I275-K386 HydrophobicContact CG2-CG 4.16Å |
| 276 | L | 96.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 142.7 | 173 | -54.3 | -177.1 | 0 | 0 | 0 | 109.1 | F274 I286 V287 L351 V372 F375 L378 R383 E384 T385 L387 | F274-L276 HydrophobicContact CD2-CD2 3.95Å; F274-L276 HydrophobicContact CD2-CG 4.19Å; F274-L276 HydrophobicContact CE2-CD1 4.34Å; F274-L276 HydrophobicContact CE2-CD2 4.21Å; F274-L276 HydrophobicContact CE2-CG 4.23Å; L276-I286 WeakPolarHBondContact CA-O 3.28Å; L276-V287 HydrophobicContact CD2-CB 4.37Å; L276-V287 HydrophobicContact CD2-CG1 4.07Å; L276-V287 HydrophobicContact CD2-CG2 3.97Å; L276-L351 HydrophobicContact CD1-CD2 4.44Å; L276-L351 HydrophobicContact CD2-CD2 3.48Å; L276-L351 VanDerWaalsContact CD2-CD2 3.48Å; L276-V372 HydrophobicContact CD1-CG1 4.42Å; L276-F375 HydrophobicContact CD1-CD1 4.12Å; L276-F375 HydrophobicContact CD1-CE1 4.39Å; L276-L378 HydrophobicContact CD1-CD1 3.94Å; L276-R383 VanDerWaalsContact O-O 3.09Å; L276-E384 CarbonylContact O-C 3.6Å; L276-E384 WeakPolarHBondContact O-CA 3.48Å; L276-T385 PolarHBondContact N-O 2.9Å; L276-T385 PolarHBondContact O-N 2.88Å; L276-L387 HydrophobicContact CD1-CD1 3.78Å; L276-L387 HydrophobicContact CG-CD1 4.22Å |
| 277 | K | 95.1 | Very high | 91.5 | Very high | 76 Ų | 76 | 41.2 Ų | 41.2 | 33% | 0.33 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 143.7 | 166.1 | 175 | -168.4 | 167.8 | -129.8 | 0 | 107 | D279 I286 | K277-D279 IonicContact NZ-OD2 3.17Å; K277-D279 PolarHBondContact NZ-OD2 3.41Å; K277-I286 HydrophobicContact CB-CB 4.32Å; K277-I286 HydrophobicContact CD-CD1 4.3Å; K277-I286 PolarHBondContact N-O 2.97Å; K277-I286 WeakPolarHBondContact O-CA 3.44Å; K277-I286 WeakPolarHBondContact O-CB 3.5Å; K277-I286 PolarHBondContact O-N 3.23Å |
| 278 | F | 95.5 | Very high | 93.6 | Very high | 8 Ų | 8 | 40.3 Ų | 40.3 | 4% | 0.035 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 144.1 | 165.4 | -169.4 | -100.1 | 0 | 0 | 0 | 110.7 | C280 Q284 L285 V341 Y343 L346 F381 P382 | F278-C280 HydrophobicContact CE1-CB 4.46Å; F278-Q284 WeakPolarHBondContact CD2-O 3.18Å; F278-L285 HydrophobicContact CD2-CB 4.15Å; F278-V341 HydrophobicContact CE2-CG1 4.12Å; F278-V341 VanDerWaalsContact CE2-O 3.28Å; F278-V341 WeakPolarHBondContact CE2-O 3.48Å; F278-V341 WeakPolarHBondContact CZ-O 3.46Å; F278-Y343 AromaticContact CD1-CD2 3.71Å; F278-Y343 HydrophobicContact CD1-CD2 3.71Å; F278-Y343 HydrophobicContact CD1-CE2 4.45Å; F278-Y343 AromaticContact CE1-CD2 3.69Å; F278-Y343 HydrophobicContact CE1-CD2 3.69Å; F278-Y343 HydrophobicContact CE1-CG 4.2Å; F278-Y343 HydrophobicContact CG-CD2 4.33Å; F278-Y343 HydrophobicContact CZ-CD2 4.31Å; F278-L346 HydrophobicContact CD2-CD1 3.85Å; F278-L346 HydrophobicContact CD2-CD2 4.44Å; F278-L346 HydrophobicContact CE2-CD1 3.99Å; F278-L346 HydrophobicContact CE2-CD2 4.38Å; F278-L346 HydrophobicContact CE2-CG 4.47Å; F278-L346 HydrophobicContact CG-CD1 4.25Å; F278-L346 HydrophobicContact CZ-CD1 4.49Å; F278-F381 HydrophobicContact CB-CE1 4.48Å; F278-F381 HydrophobicContact CB-CE2 4.17Å; F278-F381 HydrophobicContact CB-CZ 3.77Å; F278-P382 HydrophobicContact CB-CB 3.8Å; F278-P382 PolarHBondContact N-O 3.46Å |
| 279 | D | 94.4 | Very high | 94.9 | Very high | 32 Ų | 32 | 37.6 Ų | 37.6 | 17% | 0.171 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 102.6 | 174.8 | -153.8 | -68.8 | 0 | 0 | 0 | 109.5 | K277 D281 L282 E283 Q284 I286 | K277-D279 IonicContact NZ-OD2 3.17Å; K277-D279 PolarHBondContact NZ-OD2 3.41Å; D279-D281 VanDerWaalsContact C-N 3.32Å; D279-D281 PolarHBondContact O-N 2.97Å; D279-D281 PolarHBondContact OD1-N 3.24Å; D279-L282 HydrophobicContact CB-CB 4.39Å; D279-L282 PolarHBondContact OD1-N 2.99Å; D279-E283 WeakPolarHBondContact O-CA 3.14Å; D279-E283 PolarHBondContact O-N 3.33Å; D279-Q284 PolarHBondContact N-O 3.16Å; D279-Q284 PolarHBondContact O-N 3.06Å; D279-I286 HydrophobicContact CB-CD1 4.2Å |
| 280 | C | 88.8 | Confident | 95.3 | Very high | 52 Ų | 52 | 40.1 Ų | 40.1 | 35% | 0.351 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -27.4 | -175.6 | -52.9 | 0 | 0 | 0 | 0 | 113 | F278 L282 | F278-C280 HydrophobicContact CE1-CB 4.46Å; C280-L282 VanDerWaalsContact C-N 3.34Å |
| 281 | D | 91.5 | Very high | 95.5 | Very high | 83 Ų | 83 | 42.3 Ų | 42.3 | 44% | 0.444 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -20.6 | -176.9 | -63.3 | -65.5 | 0 | 0 | 0 | 111.9 | R39 R43 D279 | R39-D281 IonicContact CZ-OD1 2.88Å; R39-D281 IonicContact NH2-OD1 2.8Å; R39-D281 PolarHBondContact NH2-OD1 3.18Å; R39-D281 IonicContact NH2-OD2 3.41Å; R39-D281 PolarHBondContact NH2-OD2 3.31Å; R43-D281 PolarHBondContact NH2-O 2.96Å; D279-D281 VanDerWaalsContact C-N 3.32Å; D279-D281 PolarHBondContact O-N 2.97Å; D279-D281 PolarHBondContact OD1-N 3.24Å |
| 282 | L | 92 | Very high | 95.6 | Very high | 111 Ų | 111 | 38.3 Ų | 38.3 | 58% | 0.581 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -115.7 | 2 | 179.7 | -62.1 | 178.9 | 0 | 0 | 0 | 115 | D279 C280 Q284 | D279-L282 HydrophobicContact CB-CB 4.39Å; D279-L282 PolarHBondContact OD1-N 2.99Å; C280-L282 VanDerWaalsContact C-N 3.34Å; L282-Q284 PolarHBondContact O-N 3.28Å; L282-Q284 PolarHBondContact O-NE2 2.98Å |
| 283 | E | 93.4 | Very high | 95.5 | Very high | 108 Ų | 108 | 40.2 Ų | 40.2 | 51% | 0.505 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | 53.6 | -176.1 | -61.4 | -163 | 99.3 | 0 | 0 | 114.4 | D279 V341 A342 | D279-E283 WeakPolarHBondContact O-CA 3.14Å; D279-E283 PolarHBondContact O-N 3.33Å; E283-V341 CarbonylContact C-O 3.51Å; E283-V341 CarbonylContact O-C 3.53Å; E283-V341 PolarHBondContact O-N 3.39Å; E283-A342 WeakPolarHBondContact OE1-CB 3.37Å |
| 284 | Q | 94.5 | Very high | 95.3 | Very high | 50 Ų | 50 | 42.8 Ų | 42.8 | 23% | 0.234 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 130.5 | -173.8 | -85.6 | 162.2 | 71.4 | 0 | 0 | 113.7 | F278 D279 L282 F339 P340 | F278-Q284 WeakPolarHBondContact CD2-O 3.18Å; D279-Q284 PolarHBondContact N-O 3.16Å; D279-Q284 PolarHBondContact O-N 3.06Å; L282-Q284 PolarHBondContact O-N 3.28Å; L282-Q284 PolarHBondContact O-NE2 2.98Å; Q284-F339 WeakPolarHBondContact CA-O 3.31Å; Q284-P340 HydrophobicContact CG-CB 4.28Å |
| 285 | L | 94.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 114.4 | 166.2 | 179.9 | 67.1 | 0 | 0 | 0 | 109.2 | F278 V287 L312 F339 V341 F375 F381 | F278-L285 HydrophobicContact CD2-CB 4.15Å; L285-V287 HydrophobicContact CD2-CG2 4.24Å; L285-V287 HydrophobicContact CG-CG2 4.02Å; L285-L312 HydrophobicContact CD2-CD1 3.94Å; L285-L312 HydrophobicContact CD2-CD2 4.45Å; L285-F339 HydrophobicContact CB-CB 4.35Å; L285-F339 PolarHBondContact N-O 3.44Å; L285-F339 PolarHBondContact O-N 2.8Å; L285-V341 HydrophobicContact CB-CG1 3.84Å; L285-F375 HydrophobicContact CD2-CE1 4.19Å; L285-F375 HydrophobicContact CD2-CZ 4.3Å; L285-F381 HydrophobicContact CD1-CE2 3.97Å; L285-F381 HydrophobicContact CD1-CZ 4.19Å |
| 286 | I | 96.1 | Very high | 95 | Very high | 37 Ų | 37 | 43.4 Ų | 43.4 | 19% | 0.19 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 123.2 | 177.2 | -50.1 | -171.9 | 0 | 0 | 0 | 108.5 | L276 K277 D279 V336 L338 | L276-I286 WeakPolarHBondContact CA-O 3.28Å; K277-I286 HydrophobicContact CB-CB 4.32Å; K277-I286 HydrophobicContact CD-CD1 4.3Å; K277-I286 PolarHBondContact N-O 2.97Å; K277-I286 WeakPolarHBondContact O-CA 3.44Å; K277-I286 WeakPolarHBondContact O-CB 3.5Å; K277-I286 PolarHBondContact O-N 3.23Å; D279-I286 HydrophobicContact CB-CD1 4.2Å; I286-V336 HydrophobicContact CG2-CG1 3.7Å; I286-L338 HydrophobicContact CB-CD2 4.19Å; I286-L338 HydrophobicContact CD1-CD2 4.21Å; I286-L338 HydrophobicContact CG1-CD2 3.75Å; I286-L338 HydrophobicContact CG2-CD2 3.96Å |
| 287 | V | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 110 | -177.7 | -177.7 | 0 | 0 | 0 | 0 | 108.8 | L276 L285 I289 F337 F339 L351 F353 | L276-V287 HydrophobicContact CD2-CB 4.37Å; L276-V287 HydrophobicContact CD2-CG1 4.07Å; L276-V287 HydrophobicContact CD2-CG2 3.97Å; L285-V287 HydrophobicContact CD2-CG2 4.24Å; L285-V287 HydrophobicContact CG-CG2 4.02Å; V287-I289 HydrophobicContact CG1-CD1 4.32Å; V287-F337 PolarHBondContact N-O 3.29Å; V287-F337 PolarHBondContact O-N 3.36Å; V287-F339 HydrophobicContact CB-CD2 4.48Å; V287-F339 HydrophobicContact CB-CE2 4.19Å; V287-F339 HydrophobicContact CG2-CD2 3.81Å; V287-F339 HydrophobicContact CG2-CE2 3.83Å; V287-L351 HydrophobicContact CG1-CD2 4.02Å; V287-L351 HydrophobicContact CG2-CD1 4.14Å; V287-L351 HydrophobicContact CG2-CD2 3.77Å; V287-F353 HydrophobicContact CG1-CE1 3.89Å; V287-F353 HydrophobicContact CG1-CZ 4.13Å |
| 288 | K | 97.6 | Very high | 94.3 | Very high | 62 Ų | 62 | 45.3 Ų | 45.3 | 27% | 0.27 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 118.9 | 172.3 | -175.9 | -179.9 | 177.2 | -167 | 0 | 110.6 | F274 I275 D334 E335 V336 | F274-K288 CarbonylContact C-O 3.47Å; F274-K288 WeakPolarHBondContact CA-O 3.19Å; F274-K288 VanDerWaalsContact CB-O 3.29Å; F274-K288 WeakPolarHBondContact CB-O 3.48Å; I275-K288 HydrophobicContact CB-CB 4.24Å; I275-K288 HydrophobicContact CD1-CD 4.45Å; I275-K288 PolarHBondContact N-O 3.35Å; I275-K288 PolarHBondContact O-N 3.11Å; K288-D334 WeakPolarHBondContact CE-OD1 3.49Å; K288-D334 IonicContact NZ-OD1 2.79Å; K288-D334 PolarHBondContact NZ-OD1 2.82Å; K288-E335 CarbonylContact C-O 3.58Å; K288-E335 VanDerWaalsContact CA-O 3.31Å; K288-E335 WeakPolarHBondContact CA-O 3.36Å; K288-V336 HydrophobicContact CB-CG2 4.06Å; K288-V336 HydrophobicContact CD-CG2 4.02Å; K288-V336 HydrophobicContact CG-CG2 3.82Å |
| 289 | I | 98.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 116.9 | 166.3 | -52.2 | -57.1 | 0 | 0 | 0 | 107.7 | L272 F274 V287 V308 I310 T322 F333 D334 E335 F337 F353 | L272-I289 HydrophobicContact CD1-CG2 4.23Å; F274-I289 HydrophobicContact CB-CD1 4.13Å; V287-I289 HydrophobicContact CG1-CD1 4.32Å; I289-V308 HydrophobicContact CG2-CG2 4.5Å; I289-I310 HydrophobicContact CD1-CD1 3.86Å; I289-I310 HydrophobicContact CG1-CD1 3.67Å; I289-T322 HydrophobicContact CB-CG2 4.26Å; I289-T322 HydrophobicContact CG1-CG2 4.16Å; I289-T322 HydrophobicContact CG2-CG2 4.31Å; I289-F333 HydrophobicContact CB-CB 4.45Å; I289-F333 HydrophobicContact CG2-CB 4.06Å; I289-F333 HydrophobicContact CG2-CD2 3.52Å; I289-F333 HydrophobicContact CG2-CE2 4.2Å; I289-F333 HydrophobicContact CG2-CG 3.99Å; I289-D334 CarbonylContact O-C 3.5Å; I289-D334 VanDerWaalsContact O-CA 3.22Å; I289-D334 WeakPolarHBondContact O-CA 3.46Å; I289-D334 PolarHBondContact O-N 3.34Å; I289-D334 VanDerWaalsContact O-N 3.07Å; I289-E335 PolarHBondContact N-O 2.92Å; I289-E335 PolarHBondContact O-N 3.31Å; I289-F337 HydrophobicContact CG1-CD2 4.24Å; I289-F337 HydrophobicContact CG1-CE2 3.88Å; I289-F353 HydrophobicContact CD1-CD1 3.82Å; I289-F353 HydrophobicContact CD1-CE1 3.47Å; I289-F353 VanDerWaalsContact CD1-CE1 3.47Å; I289-F353 HydrophobicContact CD1-CZ 4.37Å |
| 290 | H | 97.5 | Very high | 92.7 | Very high | 62 Ų | 62 | 56.5 Ų | 56.5 | 29% | 0.287 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | -64.8 | -179.6 | 175.8 | 43.7 | 0 | 0 | 0 | 110.8 | H273 F333 D334 | H273-H290 PolarHBondContact O-N 2.94Å; H290-F333 PolarHBondContact O-N 3.47Å; H290-D334 IonicContact CE1-OD1 3.79Å; H290-D334 IonicContact CE1-OD2 3.31Å; H290-D334 IonicContact CG-OD1 3.61Å; H290-D334 IonicContact ND1-OD1 2.63Å; H290-D334 PolarHBondContact ND1-OD1 3.39Å; H290-D334 IonicContact ND1-OD2 2.75Å; H290-D334 PolarHBondContact ND1-OD2 3.12Å; H290-D334 PolarHBondContact O-N 2.9Å |
| 291 | K | 97.5 | Very high | 92.2 | Very high | 55 Ų | 55 | 56.8 Ų | 56.8 | 24% | 0.239 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 163.5 | -178.6 | 62.6 | 175.5 | 171.2 | 165.7 | 0 | 112.2 | H273 E293 P331 V332 | H273-K291 WeakPolarHBondContact CA-O 3.27Å; H273-K291 HydrophobicContact CB-CG 3.74Å; H273-K291 WeakPolarHBondContact CB-O 3.47Å; H273-K291 PolarHBondContact N-O 2.89Å; H273-K291 PolarHBondContact O-N 3.12Å; K291-E293 HydrophobicContact CD-CG 4.29Å; K291-E293 WeakPolarHBondContact CE-OE1 3.2Å; K291-E293 IonicContact NZ-OE1 3.48Å; K291-E293 PolarHBondContact NZ-OE1 3.17Å; K291-P331 CarbonylContact C-O 3.14Å; K291-P331 WeakPolarHBondContact CA-O 3.26Å; K291-P331 VanDerWaalsContact CB-O 3.3Å; K291-P331 WeakPolarHBondContact CB-O 3.26Å; K291-V332 HydrophobicContact CB-CB 4.41Å; K291-V332 HydrophobicContact CB-CG2 4.07Å |
| 292 | A | 97.7 | Very high | 91.8 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.008 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 157.2 | 158.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | R271 L272 L295 N330 P331 F333 | R271-A292 CarbonylContact O-C 3.6Å; R271-A292 VanDerWaalsContact O-CA 3.23Å; R271-A292 WeakPolarHBondContact O-CA 3.49Å; L272-A292 HydrophobicContact CD1-CB 4.07Å; A292-L295 HydrophobicContact CB-CD1 4.07Å; A292-L295 HydrophobicContact CB-CD2 3.95Å; A292-L295 HydrophobicContact CB-CG 4.12Å; A292-N330 CarbonylContact O-C 3.52Å; A292-N330 VanDerWaalsContact O-CA 3.31Å; A292-N330 WeakPolarHBondContact O-CA 3.41Å; A292-P331 HydrophobicContact CB-CG 3.89Å; A292-P331 PolarHBondContact N-O 3.41Å; A292-F333 HydrophobicContact CB-CE2 4.23Å |
| 293 | E | 96.1 | Very high | 91.7 | Very high | 39 Ų | 39 | 51.5 Ų | 51.5 | 18% | 0.182 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 153.6 | -179.4 | -64 | -177.3 | 161 | 0 | 0 | 111 | G270 R271 H273 K291 L295 N330 | G270-E293 CarbonylContact C-O 3.55Å; G270-E293 WeakPolarHBondContact CA-O 3.31Å; R271-E293 IonicContact CZ-OE2 3.41Å; R271-E293 PolarHBondContact N-O 2.64Å; R271-E293 IonicContact NE-OE2 2.66Å; R271-E293 PolarHBondContact NE-OE2 2.78Å; R271-E293 IonicContact NH2-OE2 2.62Å; R271-E293 PolarHBondContact NH2-OE2 3.03Å; R271-E293 PolarHBondContact O-N 2.99Å; H273-E293 VanDerWaalsContact CE1-CD 3.41Å; H273-E293 IonicContact CE1-OE1 2.72Å; H273-E293 IonicContact CE1-OE2 2.67Å; H273-E293 PolarHBondContact CE1-OE2 2.93Å; H273-E293 IonicContact NE2-OE2 3.27Å; K291-E293 HydrophobicContact CD-CG 4.29Å; K291-E293 WeakPolarHBondContact CE-OE1 3.2Å; K291-E293 IonicContact NZ-OE1 3.48Å; K291-E293 PolarHBondContact NZ-OE1 3.17Å; E293-L295 PolarHBondContact O-N 3.49Å; E293-L295 VanDerWaalsContact O-N 3.16Å; E293-N330 VanDerWaalsContact CA-OD1 3.24Å; E293-N330 WeakPolarHBondContact CA-OD1 3.26Å |
| 294 | D | 94.1 | Very high | 91.7 | Very high | 90 Ų | 90 | 46.4 Ų | 46.4 | 48% | 0.481 | 25% | 0.251 | S | S | . | . | S | Bend | trans | 54.3 | 32.5 | 171.3 | -56.4 | -41.5 | 0 | 0 | 0 | 114.1 | G270 R271 L329 N330 | G270-D294 WeakPolarHBondContact CA-O 3.07Å; G270-D294 PolarHBondContact N-O 3.27Å; R271-D294 IonicContact CZ-OD2 2.64Å; R271-D294 VanDerWaalsContact CZ-OD2 3.25Å; R271-D294 IonicContact NH1-OD2 3.95Å; R271-D294 PolarHBondContact NH1-OD2 3.46Å; R271-D294 IonicContact NH2-OD2 3.83Å; R271-D294 PolarHBondContact NH2-OD2 3.49Å; D294-L329 PolarHBondContact N-O 3.41Å; D294-N330 PolarHBondContact N-OD1 2.92Å |
| 295 | L | 94.9 | Very high | 91.7 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -65.1 | 147 | 179 | -60.9 | -176.7 | 0 | 0 | 0 | 111.5 | C269 A292 E293 P306 L329 P331 V355 I367 I391 | C269-L295 WeakPolarHBondContact O-CD2 3.5Å; A292-L295 HydrophobicContact CB-CD1 4.07Å; A292-L295 HydrophobicContact CB-CD2 3.95Å; A292-L295 HydrophobicContact CB-CG 4.12Å; E293-L295 PolarHBondContact O-N 3.49Å; E293-L295 VanDerWaalsContact O-N 3.16Å; L295-P306 HydrophobicContact CD1-CB 3.65Å; L295-P306 HydrophobicContact CD1-CG 3.93Å; L295-L329 HydrophobicContact CB-CB 4.37Å; L295-L329 WeakPolarHBondContact CB-O 3.39Å; L295-L329 WeakPolarHBondContact CG-O 3.44Å; L295-L329 PolarHBondContact N-O 2.73Å; L295-L329 WeakPolarHBondContact O-CB 3.27Å; L295-L329 WeakPolarHBondContact O-CD2 3.06Å; L295-P331 HydrophobicContact CD1-CG 3.93Å; L295-V355 HydrophobicContact CD1-CG1 4.48Å; L295-V355 HydrophobicContact CD2-CG1 4.38Å; L295-I367 HydrophobicContact CD1-CD1 4.48Å; L295-I367 HydrophobicContact CD2-CG2 4.22Å; L295-I391 HydrophobicContact CD2-CD1 3.38Å |
| 296 | P | 92 | Very high | 91.8 | Very high | 41 Ų | 41 | 44.5 Ų | 44.5 | 27% | 0.266 | 24% | 0.242 | S | C | . | . | P | Polyproline II helix | trans | -68.6 | 140.9 | 172.3 | 29.1 | -34.9 | 0 | 0 | 0 | 111.3 | C269 S304 I367 | C269-P296 HydrophobicContact CB-CG 4.34Å; P296-S304 PolarHBondContact O-OG 3.01Å; P296-I367 HydrophobicContact CG-CG2 3.76Å |
| 297 | A | 90.2 | Very high | 91.9 | Very high | 50 Ų | 50 | 42.8 Ų | 42.8 | 41% | 0.413 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -68.3 | 128.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110 | T303 S304 L329 | A297-T303 WeakPolarHBondContact CA-O 3.26Å; A297-S304 WeakPolarHBondContact CA-OG 3.13Å; A297-L329 HydrophobicContact CB-CD1 4.34Å; A297-L329 HydrophobicContact CB-CD2 4.22Å |
| 298 | K | 86.5 | Confident | 91.9 | Very high | 65 Ų | 65 | 42.8 Ų | 42.8 | 28% | 0.283 | 23% | 0.233 | S | C | . | . | trans | -115.4 | -33.1 | 177.6 | -72.9 | -58.5 | -159.3 | 115.5 | 0 | 111.8 | T303 S304 D357 D365 I366 I367 | K298-T303 PolarHBondContact N-O 3.34Å; K298-T303 VanDerWaalsContact N-O 3.17Å; K298-S304 PolarHBondContact N-OG 3.1Å; K298-S304 VanDerWaalsContact N-OG 3.07Å; K298-D357 HydrophobicContact CB-CB 4.07Å; K298-D357 WeakPolarHBondContact CB-OD2 3.29Å; K298-D357 HydrophobicContact CG-CB 4.34Å; K298-D365 WeakPolarHBondContact CD-OD2 3.44Å; K298-D365 IonicContact NZ-OD2 2.6Å; K298-D365 PolarHBondContact NZ-OD2 2.99Å; K298-I366 WeakPolarHBondContact CE-O 3.47Å; K298-I366 PolarHBondContact NZ-O 2.86Å; K298-I367 HydrophobicContact CG-CG1 4.08Å | ||
| 299 | D | 81.5 | Confident | 91.7 | Very high | 52 Ų | 52 | 42 Ų | 42 | 28% | 0.278 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -70.9 | 142.4 | 178.5 | -159.5 | 17 | 0 | 0 | 0 | 111.2 | S301 G302 T303 | D299-S301 WeakPolarHBondContact CB-OG 3.35Å; D299-S301 VanDerWaalsContact CG-OG 3.26Å; D299-S301 PolarHBondContact O-N 3.47Å; D299-S301 VanDerWaalsContact OD2-CB 3.31Å; D299-S301 WeakPolarHBondContact OD2-CB 3.36Å; D299-S301 PolarHBondContact OD2-OG 3.44Å; D299-G302 PolarHBondContact O-N 2.9Å; D299-T303 WeakPolarHBondContact CB-O 3.36Å; D299-T303 PolarHBondContact N-O 3.03Å; D299-T303 VanDerWaalsContact N-O 3.12Å |
| 300 | F | 75.9 | Confident | 91.5 | Very high | 223 Ų | 223 | 42 Ų | 42 | 98% | 0.978 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -9.2 | 173.3 | -63.5 | -80.9 | 0 | 0 | 0 | 113.3 | G302 | F300-G302 VanDerWaalsContact C-N 3.27Š|
| 301 | S | 78.4 | Confident | 91.1 | Very high | 59 Ų | 59 | 41.2 Ų | 41.2 | 41% | 0.413 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -11.2 | 174 | 73.5 | 0 | 0 | 0 | 0 | 114.2 | D299 T303 | D299-S301 WeakPolarHBondContact CB-OG 3.35Å; D299-S301 VanDerWaalsContact CG-OG 3.26Å; D299-S301 PolarHBondContact O-N 3.47Å; D299-S301 VanDerWaalsContact OD2-CB 3.31Å; D299-S301 WeakPolarHBondContact OD2-CB 3.36Å; D299-S301 PolarHBondContact OD2-OG 3.44Å; S301-T303 VanDerWaalsContact C-N 3.3Å; S301-T303 PolarHBondContact OG-N 2.94Å; S301-T303 PolarHBondContact OG-OG1 3.12Å |
| 302 | G | 82.9 | Confident | 90.6 | Very high | 50 Ų | 50 | 38.7 Ų | 38.7 | 52% | 0.515 | 21% | 0.214 | S | C | . | . | S | Bend | trans | 77.9 | 15.6 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | D299 F300 | D299-G302 PolarHBondContact O-N 2.9Å; F300-G302 VanDerWaalsContact C-N 3.27Å |
| 303 | T | 90.1 | Very high | 89.9 | Confident | 33 Ų | 33 | 40.5 Ų | 40.5 | 20% | 0.202 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -131.4 | -159.7 | 173.1 | 62.1 | 0 | 0 | 0 | 0 | 110 | A297 K298 D299 S301 K327 | A297-T303 WeakPolarHBondContact CA-O 3.26Å; K298-T303 PolarHBondContact N-O 3.34Å; K298-T303 VanDerWaalsContact N-O 3.17Å; D299-T303 WeakPolarHBondContact CB-O 3.36Å; D299-T303 PolarHBondContact N-O 3.03Å; D299-T303 VanDerWaalsContact N-O 3.12Å; S301-T303 VanDerWaalsContact C-N 3.3Å; S301-T303 PolarHBondContact OG-N 2.94Å; S301-T303 PolarHBondContact OG-OG1 3.12Å; T303-K327 WeakPolarHBondContact OG1-CA 3.39Å; T303-K327 WeakPolarHBondContact OG1-CB 3.42Å |
| 304 | S | 93.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -147.6 | 159.7 | 170.5 | -57.8 | 0 | 0 | 0 | 0 | 107.7 | P296 A297 K298 P306 K327 T328 | P296-S304 PolarHBondContact O-OG 3.01Å; A297-S304 WeakPolarHBondContact CA-OG 3.13Å; K298-S304 PolarHBondContact N-OG 3.1Å; K298-S304 VanDerWaalsContact N-OG 3.07Å; S304-P306 WeakPolarHBondContact O-CD 3.36Å; S304-K327 CarbonylContact O-C 3.47Å; S304-K327 WeakPolarHBondContact O-CA 3.44Å; S304-K327 PolarHBondContact O-N 3.09Å; S304-K327 VanDerWaalsContact O-N 3.07Å; S304-T328 PolarHBondContact O-N 3.32Å | ||
| 305 | D | 94.6 | Very high | 87.7 | Confident | 10 Ų | 10 | 41.5 Ų | 41.5 | 5% | 0.053 | 24% | 0.235 | C | C | . | . | trans | -103.2 | 66.4 | 167.4 | -77.7 | -2.9 | 0 | 0 | 0 | 110.3 | V324 H325 R326 K327 D357 F358 | D305-V324 HydrophobicContact CB-CG1 3.98Å; D305-H325 CarbonylContact C-O 3.58Å; D305-H325 WeakPolarHBondContact CA-O 3.25Å; D305-R326 WeakPolarHBondContact OD1-CA 3.25Å; D305-R326 WeakPolarHBondContact OD1-CB 3.13Å; D305-R326 IonicContact OD1-NE 3.04Å; D305-R326 IonicContact OD2-CZ 2.68Å; D305-R326 IonicContact OD2-NE 3.98Å; D305-R326 PolarHBondContact OD2-NE 3.01Å; D305-R326 IonicContact OD2-NH2 2.59Å; D305-R326 PolarHBondContact OD2-NH2 3.1Å; D305-K327 PolarHBondContact OD1-N 3.29Å; D305-D357 WeakPolarHBondContact CA-OD1 3.35Å; D305-D357 PolarHBondContact N-OD1 2.68Å; D305-F358 HydrophobicContact CB-CB 4Å; D305-F358 VanDerWaalsContact O-CB 3.25Å; D305-F358 WeakPolarHBondContact O-CB 3.24Å; D305-F358 PolarHBondContact O-N 3.33Å | ||
| 306 | P | 96.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 149.2 | -167.1 | 28.6 | -39.6 | 0 | 0 | 0 | 116 | L295 S304 H325 T328 P331 Y356 I367 | L295-P306 HydrophobicContact CD1-CB 3.65Å; L295-P306 HydrophobicContact CD1-CG 3.93Å; S304-P306 WeakPolarHBondContact O-CD 3.36Å; P306-H325 WeakPolarHBondContact CD-O 3.45Å; P306-H325 VanDerWaalsContact N-O 3.17Å; P306-H325 PolarHBondContact O-N 3.14Å; P306-T328 WeakPolarHBondContact CD-O 3.4Å; P306-T328 HydrophobicContact CG-CG2 4.04Å; P306-T328 VanDerWaalsContact CG-O 3.31Å; P306-T328 WeakPolarHBondContact CG-O 3.37Å; P306-P331 HydrophobicContact CB-CG 4.16Å; P306-P331 HydrophobicContact CG-CB 3.87Å; P306-P331 HydrophobicContact CG-CG 3.6Å; P306-Y356 CarbonylContact C-O 3.09Å; P306-Y356 VanDerWaalsContact CA-O 3.3Å; P306-Y356 WeakPolarHBondContact CA-O 3.42Å; P306-I367 HydrophobicContact CB-CD1 4.45Å |
| 307 | Y | 97.4 | Very high | 84.5 | Confident | 1 Ų | 1 | 53 Ų | 53 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 162.2 | 167.6 | 74.4 | -75.9 | 0 | 0 | 0 | 111.6 | K309 Q321 T322 K323 V324 Y356 F358 H364 | Y307-K309 HydrophobicContact CE2-CD 4.36Å; Y307-K309 HydrophobicContact CE2-CG 3.9Å; Y307-K309 WeakPolarHBondContact OH-CE 3.48Å; Y307-K309 PolarHBondContact OH-NZ 3.44Å; Y307-Q321 VanDerWaalsContact CD2-CD 3.46Å; Y307-Q321 HydrophobicContact CD2-CG 3.59Å; Y307-Q321 VanDerWaalsContact CE2-CD 3.48Å; Y307-Q321 HydrophobicContact CE2-CG 3.93Å; Y307-T322 WeakPolarHBondContact CA-OG1 3.43Å; Y307-K323 WeakPolarHBondContact CB-O 3.41Å; Y307-V324 HydrophobicContact CD1-CG2 4.16Å; Y307-V324 HydrophobicContact CG-CG2 4.11Å; Y307-Y356 HydrophobicContact CE1-CG 4.24Å; Y307-Y356 HydrophobicContact CE2-CD2 4.44Å; Y307-Y356 AromaticContact CZ-CG 3.91Å; Y307-Y356 PolarHBondContact N-O 3.21Å; Y307-Y356 PolarHBondContact O-N 3.03Å; Y307-Y356 WeakPolarHBondContact OH-CB 3.25Å; Y307-F358 HydrophobicContact CD1-CB 3.96Å; Y307-F358 HydrophobicContact CE1-CB 4.13Å; Y307-H364 HydrophobicContact CE1-CB 4.36Å; Y307-H364 AromaticContact CE1-ND1 3.64Å; Y307-H364 AromaticContact CZ-ND1 3.47Å; Y307-H364 PolarHBondContact OH-ND1 3.24Å |
| 308 | V | 97 | Very high | 83.4 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 133.5 | -177.8 | -170.3 | 0 | 0 | 0 | 0 | 110.5 | L272 I289 I310 Q321 T322 F333 F353 S354 V355 | L272-V308 HydrophobicContact CD1-CG2 4.21Å; I289-V308 HydrophobicContact CG2-CG2 4.5Å; V308-I310 HydrophobicContact CG1-CG1 4.36Å; V308-Q321 VanDerWaalsContact O-CA 3.3Å; V308-Q321 WeakPolarHBondContact O-CA 3.46Å; V308-Q321 WeakPolarHBondContact O-CG 3.39Å; V308-T322 HydrophobicContact CB-CG2 3.98Å; V308-T322 HydrophobicContact CG2-CG2 4.44Å; V308-T322 PolarHBondContact N-OG1 3.01Å; V308-T322 PolarHBondContact O-N 2.73Å; V308-F333 HydrophobicContact CG2-CE1 4.48Å; V308-F333 HydrophobicContact CG2-CE2 3.96Å; V308-F333 HydrophobicContact CG2-CZ 3.83Å; V308-F353 HydrophobicContact CG1-CB 4.07Å; V308-F353 HydrophobicContact CG1-CD1 4.31Å; V308-S354 WeakPolarHBondContact CA-O 3.31Å; V308-V355 HydrophobicContact CG2-CG2 4.31Å |
| 309 | K | 93.6 | Very high | 83 | Confident | 45 Ų | 45 | 55.8 Ų | 55.8 | 20% | 0.196 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 143.9 | 164.8 | -63.1 | -180 | -166.7 | 164.8 | 0 | 109.6 | Y307 Y311 H320 Q321 F353 S354 Y356 | Y307-K309 HydrophobicContact CE2-CD 4.36Å; Y307-K309 HydrophobicContact CE2-CG 3.9Å; Y307-K309 WeakPolarHBondContact OH-CE 3.48Å; Y307-K309 PolarHBondContact OH-NZ 3.44Å; K309-Y311 HydrophobicContact CB-CE2 3.85Å; K309-H320 WeakPolarHBondContact CA-O 3.46Å; K309-Q321 HydrophobicContact CG-CG 4.01Å; K309-F353 WeakPolarHBondContact O-CA 3.15Å; K309-S354 PolarHBondContact N-O 3.04Å; K309-S354 PolarHBondContact O-N 2.67Å; K309-Y356 HydrophobicContact CD-CD2 4.04Å; K309-Y356 HydrophobicContact CD-CE2 3.73Å; K309-Y356 HydrophobicContact CG-CD2 4.23Å; K309-Y356 HydrophobicContact CG-CE2 4.3Å |
| 310 | I | 93.9 | Very high | 83.4 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 133.1 | -172.8 | -38.6 | 173.6 | 0 | 0 | 0 | 109.8 | I289 V308 H320 F337 F339 L351 H352 F353 | I289-I310 HydrophobicContact CD1-CD1 3.86Å; I289-I310 HydrophobicContact CG1-CD1 3.67Å; V308-I310 HydrophobicContact CG1-CG1 4.36Å; I310-H320 HydrophobicContact CB-CB 4.25Å; I310-H320 HydrophobicContact CD1-CB 4.42Å; I310-H320 PolarHBondContact N-O 3.05Å; I310-H320 PolarHBondContact O-N 3.05Å; I310-F337 HydrophobicContact CD1-CB 4.49Å; I310-F337 HydrophobicContact CD1-CD2 3.28Å; I310-F337 HydrophobicContact CD1-CE2 3.52Å; I310-F337 HydrophobicContact CD1-CG 3.87Å; I310-F337 HydrophobicContact CD1-CZ 4.26Å; I310-F339 HydrophobicContact CB-CZ 4.13Å; I310-F339 HydrophobicContact CG2-CE2 4.01Å; I310-F339 HydrophobicContact CG2-CZ 3.66Å; I310-L351 HydrophobicContact CG2-CD1 3.69Å; I310-H352 WeakPolarHBondContact CA-O 3.21Å; I310-F353 HydrophobicContact CB-CD1 4.4Å; I310-F353 HydrophobicContact CG1-CD1 4.11Å; I310-F353 HydrophobicContact CG1-CE1 4.47Å; I310-F353 HydrophobicContact CG2-CD1 3.78Å; I310-F353 HydrophobicContact CG2-CE1 3.71Å |
| 311 | Y | 88.4 | Confident | 84.3 | Confident | 47 Ų | 47 | 50.2 Ų | 50.2 | 18% | 0.184 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 142.5 | 179.7 | -49.8 | -91.4 | 0 | 0 | 0 | 110.8 | K309 K319 H352 | K309-Y311 HydrophobicContact CB-CE2 3.85Å; Y311-K319 HydrophobicContact CD1-CB 3.96Å; Y311-K319 HydrophobicContact CE1-CB 3.65Å; Y311-H352 AromaticContact CD2-ND1 3.9Å; Y311-H352 PolarHBondContact N-O 3.16Å; Y311-H352 PolarHBondContact O-N 3.14Å |
| 312 | L | 88.2 | Confident | 85.2 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 78.5 | 172.2 | -173.9 | 64.2 | 0 | 0 | 0 | 110 | L285 D315 F339 V341 R349 K350 L351 F375 | L285-L312 HydrophobicContact CD2-CD1 3.94Å; L285-L312 HydrophobicContact CD2-CD2 4.45Å; L312-D315 CarbonylContact C-O 3.51Å; L312-D315 PolarHBondContact O-N 3.08Å; L312-D315 VanDerWaalsContact O-N 3.08Å; L312-F339 HydrophobicContact CB-CD1 3.55Å; L312-F339 HydrophobicContact CB-CE1 3.88Å; L312-F339 HydrophobicContact CB-CG 4.17Å; L312-F339 HydrophobicContact CD2-CB 3.79Å; L312-F339 HydrophobicContact CD2-CD1 4.29Å; L312-F339 HydrophobicContact CD2-CG 4.23Å; L312-V341 HydrophobicContact CD2-CB 4Å; L312-V341 HydrophobicContact CD2-CG1 3.87Å; L312-V341 HydrophobicContact CD2-CG2 4.27Å; L312-R349 HydrophobicContact CD1-CB 3.83Å; L312-R349 HydrophobicContact CD1-CG 4.46Å; L312-R349 HydrophobicContact CG-CB 4.18Å; L312-R349 HydrophobicContact CG-CG 4.34Å; L312-R349 PolarHBondContact O-NH1 2.87Å; L312-K350 CarbonylContact C-O 3.44Å; L312-L351 HydrophobicContact CD1-CB 4.43Å; L312-L351 HydrophobicContact CD1-CD1 4.43Å; L312-F375 HydrophobicContact CD1-CZ 4.05Å |
| 313 | L | 81.6 | Confident | 85.8 | Confident | 38 Ų | 38 | 51.6 Ų | 51.6 | 20% | 0.199 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 144.8 | -177.1 | -57.9 | 179.6 | 0 | 0 | 0 | 111 | D315 R316 R349 K350 H352 | L313-D315 VanDerWaalsContact C-N 3.32Å; L313-R316 HydrophobicContact CD2-CG 3.81Å; L313-R349 CarbonylContact O-C 3.57Å; L313-R349 WeakPolarHBondContact O-CA 3.08Å; L313-K350 HydrophobicContact CB-CB 4.32Å; L313-K350 WeakPolarHBondContact CB-O 3.47Å; L313-K350 PolarHBondContact N-O 2.88Å; L313-K350 PolarHBondContact O-N 2.59Å; L313-H352 HydrophobicContact CD1-CB 3.75Å; L313-H352 HydrophobicContact CG-CB 4Å |
| 314 | P | 72.2 | Confident | 86.2 | Confident | 101 Ų | 101 | 52.2 Ų | 52.2 | 66% | 0.656 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -75.8 | -6.5 | 7.3 | 31.3 | -36.4 | 0 | 0 | 0 | 115.2 | R316 | P314-R316 PolarHBondContact O-N 3.28Š|
| 315 | D | 71.6 | Confident | 86.3 | Confident | 49 Ų | 49 | 54.7 Ų | 54.7 | 26% | 0.262 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 117.5 | 178.8 | -161.4 | -13.4 | 0 | 0 | 0 | 111.7 | L312 L313 K317 | L312-D315 CarbonylContact C-O 3.51Å; L312-D315 PolarHBondContact O-N 3.08Å; L312-D315 VanDerWaalsContact O-N 3.08Å; L313-D315 VanDerWaalsContact C-N 3.32Å; D315-K317 WeakPolarHBondContact OD1-CA 3.27Å; D315-K317 WeakPolarHBondContact OD1-CB 3.43Å; D315-K317 WeakPolarHBondContact OD1-CG 3.13Å; D315-K317 PolarHBondContact OD1-N 3.26Å |
| 316 | R | 64.7 | Low | 86.2 | Confident | 154 Ų | 154 | 61.2 Ų | 61.2 | 58% | 0.581 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.4 | -3.8 | 175.3 | -66.8 | -175.1 | 175.3 | -171.2 | 0.7 | 113 | L313 P314 | L313-R316 HydrophobicContact CD2-CG 3.81Å; P314-R316 PolarHBondContact O-N 3.28Å |
| 317 | K | 55.3 | Low | 86 | Confident | 135 Ų | 135 | 68 Ų | 68 | 59% | 0.587 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79 | -44.4 | 179.8 | -56 | 175.4 | 178.1 | 172.9 | 0 | 110.6 | D315 K319 T433 | D315-K317 WeakPolarHBondContact OD1-CA 3.27Å; D315-K317 WeakPolarHBondContact OD1-CB 3.43Å; D315-K317 WeakPolarHBondContact OD1-CG 3.13Å; D315-K317 PolarHBondContact OD1-N 3.26Å; K317-K319 VanDerWaalsContact C-N 3.26Å; K317-K319 PolarHBondContact O-N 3.09Å; K317-T433 WeakPolarHBondContact CE-O 3.43Å |
| 318 | T | 67.5 | Low | 85.9 | Confident | 44 Ų | 44 | 69.7 Ų | 69.7 | 27% | 0.27 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 73.9 | 173.7 | 57.7 | 0 | 0 | 0 | 0 | 111 | ||
| 319 | K | 78.4 | Confident | 85.9 | Confident | 129 Ų | 129 | 71.9 Ų | 71.9 | 56% | 0.561 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 126.7 | 173.1 | 70.8 | -172.1 | -179.9 | -173.7 | 0 | 110.6 | Y311 K317 | Y311-K319 HydrophobicContact CD1-CB 3.96Å; Y311-K319 HydrophobicContact CE1-CB 3.65Å; K317-K319 VanDerWaalsContact C-N 3.26Å; K317-K319 PolarHBondContact O-N 3.09Å |
| 320 | H | 90.6 | Very high | 86 | Confident | 58 Ų | 58 | 73.8 Ų | 73.8 | 27% | 0.269 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 157.1 | 169.2 | -68 | -95.9 | 0 | 0 | 0 | 110.1 | K309 I310 F337 F339 | K309-H320 WeakPolarHBondContact CA-O 3.46Å; I310-H320 HydrophobicContact CB-CB 4.25Å; I310-H320 HydrophobicContact CD1-CB 4.42Å; I310-H320 PolarHBondContact N-O 3.05Å; I310-H320 PolarHBondContact O-N 3.05Å; H320-F337 HydrophobicContact CB-CB 4.23Å; H320-F337 HydrophobicContact CB-CD1 3.62Å; H320-F337 HydrophobicContact CB-CE1 4.19Å; H320-F337 HydrophobicContact CB-CG 3.99Å; H320-F337 AromaticContact CG-CD1 3.93Å; H320-F337 AromaticContact ND1-CD1 3.68Å; H320-F339 HydrophobicContact CB-CZ 4.32Å; H320-F339 AromaticContact CD2-CE1 3.49Å; H320-F339 VanDerWaalsContact CD2-CE1 3.49Å; H320-F339 WeakPolarHBondContact CD2-CE1 3.29Å; H320-F339 AromaticContact CD2-CZ 3.51Å |
| 321 | Q | 93.8 | Very high | 86.1 | Confident | 99 Ų | 99 | 73.8 Ų | 73.8 | 46% | 0.463 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 140.7 | -178.6 | -162.6 | -168.5 | -79.5 | 0 | 0 | 110.8 | Y307 V308 K309 F337 | Y307-Q321 VanDerWaalsContact CD2-CD 3.46Å; Y307-Q321 HydrophobicContact CD2-CG 3.59Å; Y307-Q321 VanDerWaalsContact CE2-CD 3.48Å; Y307-Q321 HydrophobicContact CE2-CG 3.93Å; V308-Q321 VanDerWaalsContact O-CA 3.3Å; V308-Q321 WeakPolarHBondContact O-CA 3.46Å; V308-Q321 WeakPolarHBondContact O-CG 3.39Å; K309-Q321 HydrophobicContact CG-CG 4.01Å; Q321-F337 WeakPolarHBondContact O-CE1 3.37Å |
| 322 | T | 97.6 | Very high | 86.6 | Confident | 4 Ų | 4 | 75.2 Ų | 75.2 | 3% | 0.025 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 167 | 168.8 | 69 | 0 | 0 | 0 | 0 | 112 | I289 Y307 V308 F333 E335 F337 | I289-T322 HydrophobicContact CB-CG2 4.26Å; I289-T322 HydrophobicContact CG1-CG2 4.16Å; I289-T322 HydrophobicContact CG2-CG2 4.31Å; Y307-T322 WeakPolarHBondContact CA-OG1 3.43Å; V308-T322 HydrophobicContact CB-CG2 3.98Å; V308-T322 HydrophobicContact CG2-CG2 4.44Å; V308-T322 PolarHBondContact N-OG1 3.01Å; V308-T322 PolarHBondContact O-N 2.73Å; T322-F333 HydrophobicContact CG2-CB 4.39Å; T322-F333 HydrophobicContact CG2-CD1 3.94Å; T322-F333 HydrophobicContact CG2-CE1 4.43Å; T322-F333 HydrophobicContact CG2-CG 4.18Å; T322-F333 WeakPolarHBondContact OG1-CE1 3.31Å; T322-E335 WeakPolarHBondContact CA-OE1 3.28Å; T322-E335 WeakPolarHBondContact CB-OE1 3.46Å; T322-F337 HydrophobicContact CG2-CE2 4.12Å; T322-F337 HydrophobicContact CG2-CZ 4.05Å |
| 323 | K | 96.3 | Very high | 87 | Confident | 135 Ų | 135 | 75.8 Ų | 75.8 | 59% | 0.587 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 158.6 | 158.9 | -62.9 | 179 | -169.2 | 76.1 | 0 | 110.5 | Y307 E335 | Y307-K323 WeakPolarHBondContact CB-O 3.41Å; K323-E335 PolarHBondContact N-OE1 3.46Å; K323-E335 IonicContact NZ-OE2 3.69Å; K323-E335 PolarHBondContact NZ-OE2 3Å |
| 324 | V | 96.6 | Very high | 87.7 | Confident | 45 Ų | 45 | 77.3 Ų | 77.3 | 27% | 0.273 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -88.2 | 118.6 | 172.4 | 174.9 | 0 | 0 | 0 | 0 | 108.6 | D305 Y307 F358 | D305-V324 HydrophobicContact CB-CG1 3.98Å; Y307-V324 HydrophobicContact CD1-CG2 4.16Å; Y307-V324 HydrophobicContact CG-CG2 4.11Å; V324-F358 HydrophobicContact CB-CB 4.37Å; V324-F358 HydrophobicContact CB-CG 4.48Å; V324-F358 HydrophobicContact CG1-CB 3.5Å; V324-F358 VanDerWaalsContact CG1-CB 3.5Å; V324-F358 HydrophobicContact CG1-CD1 4.16Å; V324-F358 HydrophobicContact CG1-CG 3.8Å; V324-F358 HydrophobicContact CG2-CB 3.88Å; V324-F358 HydrophobicContact CG2-CD2 3.8Å; V324-F358 HydrophobicContact CG2-CG 3.88Å |
| 325 | H | 95.8 | Very high | 89 | Confident | 52 Ų | 52 | 74 Ų | 74 | 24% | 0.241 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -94.5 | 126.8 | 173.7 | -72.7 | -107.1 | 0 | 0 | 0 | 108.2 | D305 P306 T328 P331 V332 F333 | D305-H325 CarbonylContact C-O 3.58Å; D305-H325 WeakPolarHBondContact CA-O 3.25Å; P306-H325 WeakPolarHBondContact CD-O 3.45Å; P306-H325 VanDerWaalsContact N-O 3.17Å; P306-H325 PolarHBondContact O-N 3.14Å; H325-T328 HydrophobicContact CB-CG2 3.86Å; H325-P331 HydrophobicContact CB-CB 3.85Å; H325-V332 PolarHBondContact CE1-O 2.88Å; H325-V332 PolarHBondContact ND1-O 2.81Å; H325-F333 AromaticContact CD2-CD1 3.38Å; H325-F333 WeakPolarHBondContact CD2-CD1 3.38Å; H325-F333 AromaticContact CD2-CE1 3.6Å; H325-F333 AromaticContact NE2-CD1 3.57Å |
| 326 | R | 94 | Very high | 90.2 | Very high | 148 Ų | 148 | 75.7 Ų | 75.7 | 56% | 0.558 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -91.8 | 141.5 | -171.1 | -49.9 | -156.1 | 88.1 | 110.8 | 8.2 | 113 | D305 T328 | D305-R326 WeakPolarHBondContact OD1-CA 3.25Å; D305-R326 WeakPolarHBondContact OD1-CB 3.13Å; D305-R326 IonicContact OD1-NE 3.04Å; D305-R326 IonicContact OD2-CZ 2.68Å; D305-R326 IonicContact OD2-NE 3.98Å; D305-R326 PolarHBondContact OD2-NE 3.01Å; D305-R326 IonicContact OD2-NH2 2.59Å; D305-R326 PolarHBondContact OD2-NH2 3.1Å; R326-T328 PolarHBondContact O-N 3.23Å |
| 327 | K | 92.5 | Very high | 91.7 | Very high | 142 Ų | 142 | 69.3 Ų | 69.3 | 62% | 0.617 | 33% | 0.334 | S | S | * | . | S | Bend | trans | 49.6 | 49.9 | 171.9 | -58.6 | -171.3 | 176.6 | -172.3 | 0 | 113.9 | T303 S304 D305 | T303-K327 WeakPolarHBondContact OG1-CA 3.39Å; T303-K327 WeakPolarHBondContact OG1-CB 3.42Å; S304-K327 CarbonylContact O-C 3.47Å; S304-K327 WeakPolarHBondContact O-CA 3.44Å; S304-K327 PolarHBondContact O-N 3.09Å; S304-K327 VanDerWaalsContact O-N 3.07Å; D305-K327 PolarHBondContact OD1-N 3.29Å |
| 328 | T | 95.3 | Very high | 93.6 | Very high | 36 Ų | 36 | 66.8 Ų | 66.8 | 22% | 0.221 | 33% | 0.327 | C | S | . | . | trans | -141 | 139.9 | 179.6 | -177.1 | 0 | 0 | 0 | 0 | 111.8 | S304 P306 H325 R326 N330 P331 | S304-T328 PolarHBondContact O-N 3.32Å; P306-T328 WeakPolarHBondContact CD-O 3.4Å; P306-T328 HydrophobicContact CG-CG2 4.04Å; P306-T328 VanDerWaalsContact CG-O 3.31Å; P306-T328 WeakPolarHBondContact CG-O 3.37Å; H325-T328 HydrophobicContact CB-CG2 3.86Å; R326-T328 PolarHBondContact O-N 3.23Å; T328-N330 VanDerWaalsContact OG1-C 3.3Å; T328-N330 PolarHBondContact OG1-N 3.14Å; T328-N330 PolarHBondContact OG1-O 3.13Å; T328-P331 HydrophobicContact CG2-CB 3.9Å | ||
| 329 | L | 95.1 | Very high | 94.8 | Very high | 47 Ų | 47 | 64.8 Ų | 64.8 | 25% | 0.246 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -97.7 | -2 | 170 | -55.7 | -177.2 | 0 | 0 | 0 | 112 | D294 L295 A297 | D294-L329 PolarHBondContact N-O 3.41Å; L295-L329 HydrophobicContact CB-CB 4.37Å; L295-L329 WeakPolarHBondContact CB-O 3.39Å; L295-L329 WeakPolarHBondContact CG-O 3.44Å; L295-L329 PolarHBondContact N-O 2.73Å; L295-L329 WeakPolarHBondContact O-CB 3.27Å; L295-L329 WeakPolarHBondContact O-CD2 3.06Å; A297-L329 HydrophobicContact CB-CD1 4.34Å; A297-L329 HydrophobicContact CB-CD2 4.22Å |
| 330 | N | 96.4 | Very high | 95.5 | Very high | 84 Ų | 84 | 63 Ų | 63 | 45% | 0.449 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -134.9 | 65.6 | -178.9 | -62.4 | -76.9 | 0 | 0 | 0 | 110 | A292 E293 D294 T328 | A292-N330 CarbonylContact O-C 3.52Å; A292-N330 VanDerWaalsContact O-CA 3.31Å; A292-N330 WeakPolarHBondContact O-CA 3.41Å; E293-N330 VanDerWaalsContact CA-OD1 3.24Å; E293-N330 WeakPolarHBondContact CA-OD1 3.26Å; D294-N330 PolarHBondContact N-OD1 2.92Å; T328-N330 VanDerWaalsContact OG1-C 3.3Å; T328-N330 PolarHBondContact OG1-N 3.14Å; T328-N330 PolarHBondContact OG1-O 3.13Å |
| 331 | P | 97.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | trans | -71.8 | 134.8 | -179.3 | 30.7 | -36.8 | 0 | 0 | 0 | 111.9 | K291 A292 L295 P306 H325 T328 F333 | K291-P331 CarbonylContact C-O 3.14Å; K291-P331 WeakPolarHBondContact CA-O 3.26Å; K291-P331 VanDerWaalsContact CB-O 3.3Å; K291-P331 WeakPolarHBondContact CB-O 3.26Å; A292-P331 HydrophobicContact CB-CG 3.89Å; A292-P331 PolarHBondContact N-O 3.41Å; L295-P331 HydrophobicContact CD1-CG 3.93Å; P306-P331 HydrophobicContact CB-CG 4.16Å; P306-P331 HydrophobicContact CG-CB 3.87Å; P306-P331 HydrophobicContact CG-CG 3.6Å; H325-P331 HydrophobicContact CB-CB 3.85Å; T328-P331 HydrophobicContact CG2-CB 3.9Å; P331-F333 HydrophobicContact CB-CD2 4.45Å; P331-F333 HydrophobicContact CB-CE1 4.01Å; P331-F333 HydrophobicContact CB-CE2 3.87Å; P331-F333 HydrophobicContact CB-CZ 3.62Å; P331-F333 HydrophobicContact CG-CD2 4.48Å; P331-F333 HydrophobicContact CG-CE1 4.3Å; P331-F333 HydrophobicContact CG-CE2 3.55Å; P331-F333 HydrophobicContact CG-CZ 3.44Å; P331-F333 VanDerWaalsContact CG-CZ 3.44Å | ||
| 332 | V | 97.6 | Very high | 95.4 | Very high | 76 Ų | 76 | 57 Ų | 57 | 46% | 0.461 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 111.7 | 166.8 | -177.3 | 0 | 0 | 0 | 0 | 107.6 | K291 H325 D334 | K291-V332 HydrophobicContact CB-CB 4.41Å; K291-V332 HydrophobicContact CB-CG2 4.07Å; H325-V332 PolarHBondContact CE1-O 2.88Å; H325-V332 PolarHBondContact ND1-O 2.81Å; V332-D334 VanDerWaalsContact CG1-OD2 3.24Å; V332-D334 WeakPolarHBondContact CG1-OD2 3.49Å |
| 333 | F | 97.2 | Very high | 94.9 | Very high | 15 Ų | 15 | 60.7 Ų | 60.7 | 7% | 0.066 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | -50.5 | -175.3 | -57.5 | -80.9 | 0 | 0 | 0 | 111.4 | I289 H290 A292 V308 T322 H325 P331 E335 | I289-F333 HydrophobicContact CB-CB 4.45Å; I289-F333 HydrophobicContact CG2-CB 4.06Å; I289-F333 HydrophobicContact CG2-CD2 3.52Å; I289-F333 HydrophobicContact CG2-CE2 4.2Å; I289-F333 HydrophobicContact CG2-CG 3.99Å; H290-F333 PolarHBondContact O-N 3.47Å; A292-F333 HydrophobicContact CB-CE2 4.23Å; V308-F333 HydrophobicContact CG2-CE1 4.48Å; V308-F333 HydrophobicContact CG2-CE2 3.96Å; V308-F333 HydrophobicContact CG2-CZ 3.83Å; T322-F333 HydrophobicContact CG2-CB 4.39Å; T322-F333 HydrophobicContact CG2-CD1 3.94Å; T322-F333 HydrophobicContact CG2-CE1 4.43Å; T322-F333 HydrophobicContact CG2-CG 4.18Å; T322-F333 WeakPolarHBondContact OG1-CE1 3.31Å; H325-F333 AromaticContact CD2-CD1 3.38Å; H325-F333 WeakPolarHBondContact CD2-CD1 3.38Å; H325-F333 AromaticContact CD2-CE1 3.6Å; H325-F333 AromaticContact NE2-CD1 3.57Å; P331-F333 HydrophobicContact CB-CD2 4.45Å; P331-F333 HydrophobicContact CB-CE1 4.01Å; P331-F333 HydrophobicContact CB-CE2 3.87Å; P331-F333 HydrophobicContact CB-CZ 3.62Å; P331-F333 HydrophobicContact CG-CD2 4.48Å; P331-F333 HydrophobicContact CG-CE1 4.3Å; P331-F333 HydrophobicContact CG-CE2 3.55Å; P331-F333 HydrophobicContact CG-CZ 3.44Å; P331-F333 VanDerWaalsContact CG-CZ 3.44Å; F333-E335 HydrophobicContact CB-CG 4.5Å; F333-E335 WeakPolarHBondContact O-CG 3.18Å; F333-E335 PolarHBondContact O-N 3.42Å |
| 334 | D | 97.1 | Very high | 94.6 | Very high | 70 Ų | 70 | 59 Ų | 59 | 37% | 0.374 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 51.2 | 30.8 | -173.7 | -85.3 | -53.6 | 0 | 0 | 0 | 115.9 | K288 I289 H290 V332 | K288-D334 WeakPolarHBondContact CE-OD1 3.49Å; K288-D334 IonicContact NZ-OD1 2.79Å; K288-D334 PolarHBondContact NZ-OD1 2.82Å; I289-D334 CarbonylContact O-C 3.5Å; I289-D334 VanDerWaalsContact O-CA 3.22Å; I289-D334 WeakPolarHBondContact O-CA 3.46Å; I289-D334 PolarHBondContact O-N 3.34Å; I289-D334 VanDerWaalsContact O-N 3.07Å; H290-D334 IonicContact CE1-OD1 3.79Å; H290-D334 IonicContact CE1-OD2 3.31Å; H290-D334 IonicContact CG-OD1 3.61Å; H290-D334 IonicContact ND1-OD1 2.63Å; H290-D334 PolarHBondContact ND1-OD1 3.39Å; H290-D334 IonicContact ND1-OD2 2.75Å; H290-D334 PolarHBondContact ND1-OD2 3.12Å; H290-D334 PolarHBondContact O-N 2.9Å; V332-D334 VanDerWaalsContact CG1-OD2 3.24Å; V332-D334 WeakPolarHBondContact CG1-OD2 3.49Å |
| 335 | E | 97.7 | Very high | 94.2 | Very high | 31 Ų | 31 | 60.7 Ų | 60.7 | 15% | 0.145 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 140.4 | -177.5 | -60.1 | -167.5 | -94.1 | 0 | 0 | 113.1 | K288 I289 T322 K323 F333 F337 | K288-E335 CarbonylContact C-O 3.58Å; K288-E335 VanDerWaalsContact CA-O 3.31Å; K288-E335 WeakPolarHBondContact CA-O 3.36Å; I289-E335 PolarHBondContact N-O 2.92Å; I289-E335 PolarHBondContact O-N 3.31Å; T322-E335 WeakPolarHBondContact CA-OE1 3.28Å; T322-E335 WeakPolarHBondContact CB-OE1 3.46Å; K323-E335 PolarHBondContact N-OE1 3.46Å; K323-E335 IonicContact NZ-OE2 3.69Å; K323-E335 PolarHBondContact NZ-OE2 3Å; F333-E335 HydrophobicContact CB-CG 4.5Å; F333-E335 WeakPolarHBondContact O-CG 3.18Å; F333-E335 PolarHBondContact O-N 3.42Å; E335-F337 HydrophobicContact CB-CE2 3.7Å; E335-F337 HydrophobicContact CB-CZ 3.64Å |
| 336 | V | 97.3 | Very high | 93.9 | Very high | 84 Ų | 84 | 58.2 Ų | 58.2 | 51% | 0.509 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 135.3 | -177.9 | -174.5 | 0 | 0 | 0 | 0 | 110.3 | I286 K288 | I286-V336 HydrophobicContact CG2-CG1 3.7Å; K288-V336 HydrophobicContact CB-CG2 4.06Å; K288-V336 HydrophobicContact CD-CG2 4.02Å; K288-V336 HydrophobicContact CG-CG2 3.82Å |
| 337 | F | 96.2 | Very high | 93.6 | Very high | 20 Ų | 20 | 54.7 Ų | 54.7 | 9% | 0.088 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 147.9 | 179.7 | -53.2 | -79.3 | 0 | 0 | 0 | 109.9 | V287 I289 I310 H320 Q321 T322 E335 F339 | V287-F337 PolarHBondContact N-O 3.29Å; V287-F337 PolarHBondContact O-N 3.36Å; I289-F337 HydrophobicContact CG1-CD2 4.24Å; I289-F337 HydrophobicContact CG1-CE2 3.88Å; I310-F337 HydrophobicContact CD1-CB 4.49Å; I310-F337 HydrophobicContact CD1-CD2 3.28Å; I310-F337 HydrophobicContact CD1-CE2 3.52Å; I310-F337 HydrophobicContact CD1-CG 3.87Å; I310-F337 HydrophobicContact CD1-CZ 4.26Å; H320-F337 HydrophobicContact CB-CB 4.23Å; H320-F337 HydrophobicContact CB-CD1 3.62Å; H320-F337 HydrophobicContact CB-CE1 4.19Å; H320-F337 HydrophobicContact CB-CG 3.99Å; H320-F337 AromaticContact CG-CD1 3.93Å; H320-F337 AromaticContact ND1-CD1 3.68Å; Q321-F337 WeakPolarHBondContact O-CE1 3.37Å; T322-F337 HydrophobicContact CG2-CE2 4.12Å; T322-F337 HydrophobicContact CG2-CZ 4.05Å; E335-F337 HydrophobicContact CB-CE2 3.7Å; E335-F337 HydrophobicContact CB-CZ 3.64Å; F337-F339 HydrophobicContact CB-CE2 4.26Å |
| 338 | L | 95.1 | Very high | 93.2 | Very high | 82 Ų | 82 | 52.8 Ų | 52.8 | 43% | 0.429 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 122.7 | -174.7 | -57.4 | 176 | 0 | 0 | 0 | 108.9 | I286 | I286-L338 HydrophobicContact CB-CD2 4.19Å; I286-L338 HydrophobicContact CD1-CD2 4.21Å; I286-L338 HydrophobicContact CG1-CD2 3.75Å; I286-L338 HydrophobicContact CG2-CD2 3.96Å |
| 339 | F | 93.2 | Very high | 92.7 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.009 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 114 | 175.4 | -66.3 | -94.9 | 0 | 0 | 0 | 109.2 | Q284 L285 V287 I310 L312 H320 F337 V341 L351 | Q284-F339 WeakPolarHBondContact CA-O 3.31Å; L285-F339 HydrophobicContact CB-CB 4.35Å; L285-F339 PolarHBondContact N-O 3.44Å; L285-F339 PolarHBondContact O-N 2.8Å; V287-F339 HydrophobicContact CB-CD2 4.48Å; V287-F339 HydrophobicContact CB-CE2 4.19Å; V287-F339 HydrophobicContact CG2-CD2 3.81Å; V287-F339 HydrophobicContact CG2-CE2 3.83Å; I310-F339 HydrophobicContact CB-CZ 4.13Å; I310-F339 HydrophobicContact CG2-CE2 4.01Å; I310-F339 HydrophobicContact CG2-CZ 3.66Å; L312-F339 HydrophobicContact CB-CD1 3.55Å; L312-F339 HydrophobicContact CB-CE1 3.88Å; L312-F339 HydrophobicContact CB-CG 4.17Å; L312-F339 HydrophobicContact CD2-CB 3.79Å; L312-F339 HydrophobicContact CD2-CD1 4.29Å; L312-F339 HydrophobicContact CD2-CG 4.23Å; H320-F339 HydrophobicContact CB-CZ 4.32Å; H320-F339 AromaticContact CD2-CE1 3.49Å; H320-F339 VanDerWaalsContact CD2-CE1 3.49Å; H320-F339 WeakPolarHBondContact CD2-CE1 3.29Å; H320-F339 AromaticContact CD2-CZ 3.51Å; F337-F339 HydrophobicContact CB-CE2 4.26Å; F339-V341 PolarHBondContact O-N 2.77Å; F339-L351 HydrophobicContact CE2-CD1 4.25Å; F339-L351 HydrophobicContact CZ-CD1 4.39Å |
| 340 | P | 92.3 | Very high | 92.4 | Very high | 93 Ų | 93 | 54.9 Ų | 54.9 | 60% | 0.604 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 120 | 172.9 | 28.7 | -32.8 | 0 | 0 | 0 | 109.8 | Q284 | Q284-P340 HydrophobicContact CG-CB 4.28Å |
| 341 | V | 90.8 | Very high | 92.2 | Very high | 7 Ų | 7 | 50.9 Ų | 50.9 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | trans | -162.4 | 128.5 | -177.7 | 61.9 | 0 | 0 | 0 | 0 | 109.7 | F278 E283 L285 L312 F339 E345 L346 R349 | F278-V341 HydrophobicContact CE2-CG1 4.12Å; F278-V341 VanDerWaalsContact CE2-O 3.28Å; F278-V341 WeakPolarHBondContact CE2-O 3.48Å; F278-V341 WeakPolarHBondContact CZ-O 3.46Å; E283-V341 CarbonylContact C-O 3.51Å; E283-V341 CarbonylContact O-C 3.53Å; E283-V341 PolarHBondContact O-N 3.39Å; L285-V341 HydrophobicContact CB-CG1 3.84Å; L312-V341 HydrophobicContact CD2-CB 4Å; L312-V341 HydrophobicContact CD2-CG1 3.87Å; L312-V341 HydrophobicContact CD2-CG2 4.27Å; F339-V341 PolarHBondContact O-N 2.77Å; V341-E345 HydrophobicContact CG2-CB 3.89Å; V341-L346 HydrophobicContact CG1-CD2 3.77Å; V341-L346 HydrophobicContact CG2-CD2 4.32Å; V341-R349 HydrophobicContact CG2-CG 4.1Å | ||
| 342 | A | 91.3 | Very high | 92 | Very high | 22 Ų | 22 | 52 Ų | 52 | 18% | 0.182 | 29% | 0.288 | C | S | . | . | trans | -64.9 | 145.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | E283 S344 E345 | E283-A342 WeakPolarHBondContact OE1-CB 3.37Å; A342-S344 PolarHBondContact O-N 3.15Å; A342-E345 HydrophobicContact CB-CG 4.46Å; A342-E345 PolarHBondContact O-N 2.77Å | ||
| 343 | Y | 88.9 | Confident | 91.8 | Very high | 82 Ų | 82 | 48.3 Ų | 48.3 | 32% | 0.322 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -57.5 | -37.6 | -176.8 | -175 | -101.4 | 0 | 0 | 0 | 112.5 | F278 E345 L346 L376 F381 P382 | F278-Y343 AromaticContact CD1-CD2 3.71Å; F278-Y343 HydrophobicContact CD1-CD2 3.71Å; F278-Y343 HydrophobicContact CD1-CE2 4.45Å; F278-Y343 AromaticContact CE1-CD2 3.69Å; F278-Y343 HydrophobicContact CE1-CD2 3.69Å; F278-Y343 HydrophobicContact CE1-CG 4.2Å; F278-Y343 HydrophobicContact CG-CD2 4.33Å; F278-Y343 HydrophobicContact CZ-CD2 4.31Å; Y343-E345 VanDerWaalsContact C-N 3.25Å; Y343-E345 PolarHBondContact O-N 2.85Å; Y343-L346 HydrophobicContact CD2-CD1 3.62Å; Y343-L346 HydrophobicContact CE2-CD1 4.07Å; Y343-L346 HydrophobicContact CG-CD1 4.31Å; Y343-L346 WeakPolarHBondContact O-CB 3.13Å; Y343-L346 WeakPolarHBondContact O-CG 3.26Å; Y343-L346 PolarHBondContact O-N 3.25Å; Y343-L376 HydrophobicContact CE2-CD2 4.11Å; Y343-L376 WeakPolarHBondContact OH-CD2 3.2Å; Y343-F381 HydrophobicContact CE2-CE1 4.46Å; Y343-P382 HydrophobicContact CE2-CB 4.38Å |
| 344 | S | 89.1 | Confident | 91.6 | Very high | 101 Ų | 101 | 47.9 Ų | 47.9 | 71% | 0.706 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -64.5 | -21 | 177.7 | 52.2 | 0 | 0 | 0 | 0 | 114.6 | A342 | A342-S344 PolarHBondContact O-N 3.15Š|
| 345 | E | 88.5 | Confident | 91.5 | Very high | 80 Ų | 80 | 44.6 Ų | 44.6 | 37% | 0.374 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -83.8 | -24.3 | 176.4 | -69.4 | -170.8 | -158.2 | 0 | 0 | 113.1 | V341 A342 Y343 P347 T348 R349 | V341-E345 HydrophobicContact CG2-CB 3.89Å; A342-E345 HydrophobicContact CB-CG 4.46Å; A342-E345 PolarHBondContact O-N 2.77Å; Y343-E345 VanDerWaalsContact C-N 3.25Å; Y343-E345 PolarHBondContact O-N 2.85Å; E345-P347 VanDerWaalsContact C-N 3.32Å; E345-P347 VanDerWaalsContact O-N 3.14Å; E345-T348 PolarHBondContact O-N 3.03Å; E345-T348 PolarHBondContact O-OG1 3.36Å; E345-R349 PolarHBondContact O-N 3.06Å; E345-R349 IonicContact OE2-CZ 2.9Å; E345-R349 VanDerWaalsContact OE2-CZ 3.27Å; E345-R349 IonicContact OE2-NE 3.6Å; E345-R349 PolarHBondContact OE2-NE 2.99Å; E345-R349 IonicContact OE2-NH2 2.66Å; E345-R349 PolarHBondContact OE2-NH2 3.4Å |
| 346 | L | 88.9 | Confident | 91.3 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -49.5 | -39.7 | -173.4 | -66.3 | 174.9 | 0 | 0 | 0 | 114.6 | F278 V341 Y343 T348 R349 F375 F381 | F278-L346 HydrophobicContact CD2-CD1 3.85Å; F278-L346 HydrophobicContact CD2-CD2 4.44Å; F278-L346 HydrophobicContact CE2-CD1 3.99Å; F278-L346 HydrophobicContact CE2-CD2 4.38Å; F278-L346 HydrophobicContact CE2-CG 4.47Å; F278-L346 HydrophobicContact CG-CD1 4.25Å; F278-L346 HydrophobicContact CZ-CD1 4.49Å; V341-L346 HydrophobicContact CG1-CD2 3.77Å; V341-L346 HydrophobicContact CG2-CD2 4.32Å; Y343-L346 HydrophobicContact CD2-CD1 3.62Å; Y343-L346 HydrophobicContact CE2-CD1 4.07Å; Y343-L346 HydrophobicContact CG-CD1 4.31Å; Y343-L346 WeakPolarHBondContact O-CB 3.13Å; Y343-L346 WeakPolarHBondContact O-CG 3.26Å; Y343-L346 PolarHBondContact O-N 3.25Å; L346-T348 PolarHBondContact O-N 3.3Å; L346-T348 VanDerWaalsContact O-N 3.12Å; L346-R349 PolarHBondContact O-N 3.07Å; L346-R349 VanDerWaalsContact O-N 3.13Å; L346-F375 HydrophobicContact CB-CD2 4.29Å; L346-F375 HydrophobicContact CD2-CD2 4.46Å; L346-F375 WeakPolarHBondContact O-CD2 3.19Å; L346-F381 HydrophobicContact CD1-CE1 4.02Å; L346-F381 HydrophobicContact CD1-CZ 3.99Å |
| 347 | P | 87.6 | Confident | 91.1 | Very high | 73 Ų | 73 | 41.7 Ų | 41.7 | 47% | 0.474 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -59.4 | -22.3 | 176.3 | -25 | 35.8 | 0 | 0 | 0 | 114.7 | E345 L376 | E345-P347 VanDerWaalsContact C-N 3.32Å; E345-P347 VanDerWaalsContact O-N 3.14Å; P347-L376 HydrophobicContact CG-CD1 3.91Å |
| 348 | T | 84.6 | Confident | 90.8 | Very high | 103 Ų | 103 | 43.3 Ų | 43.3 | 63% | 0.632 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -98.6 | -11 | 180 | 70.1 | 0 | 0 | 0 | 0 | 113.6 | E345 L346 | E345-T348 PolarHBondContact O-N 3.03Å; E345-T348 PolarHBondContact O-OG1 3.36Å; L346-T348 PolarHBondContact O-N 3.3Å; L346-T348 VanDerWaalsContact O-N 3.12Å |
| 349 | R | 85.6 | Confident | 90.2 | Very high | 35 Ų | 35 | 41.7 Ų | 41.7 | 13% | 0.132 | 23% | 0.226 | C | C | . | . | trans | -89.1 | 156.7 | -179.2 | -59.2 | -54.4 | -163.5 | 112.6 | -0.1 | 111.3 | L312 L313 V341 E345 L346 F375 | L312-R349 HydrophobicContact CD1-CB 3.83Å; L312-R349 HydrophobicContact CD1-CG 4.46Å; L312-R349 HydrophobicContact CG-CB 4.18Å; L312-R349 HydrophobicContact CG-CG 4.34Å; L312-R349 PolarHBondContact O-NH1 2.87Å; L313-R349 CarbonylContact O-C 3.57Å; L313-R349 WeakPolarHBondContact O-CA 3.08Å; V341-R349 HydrophobicContact CG2-CG 4.1Å; E345-R349 PolarHBondContact O-N 3.06Å; E345-R349 IonicContact OE2-CZ 2.9Å; E345-R349 VanDerWaalsContact OE2-CZ 3.27Å; E345-R349 IonicContact OE2-NE 3.6Å; E345-R349 PolarHBondContact OE2-NE 2.99Å; E345-R349 IonicContact OE2-NH2 2.66Å; E345-R349 PolarHBondContact OE2-NH2 3.4Å; L346-R349 PolarHBondContact O-N 3.07Å; L346-R349 VanDerWaalsContact O-N 3.13Å; R349-F375 HydrophobicContact CB-CE2 4.04Å; R349-F375 WeakPolarHBondContact O-CE2 3.43Å | ||
| 350 | K | 88.3 | Confident | 89.6 | Confident | 91 Ų | 91 | 50.5 Ų | 50.5 | 40% | 0.396 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 127.6 | 169.3 | -52.1 | -161.8 | 168.8 | -156 | 0 | 110.6 | L312 L313 V371 V372 D373 | L312-K350 CarbonylContact C-O 3.44Å; L313-K350 HydrophobicContact CB-CB 4.32Å; L313-K350 WeakPolarHBondContact CB-O 3.47Å; L313-K350 PolarHBondContact N-O 2.88Å; L313-K350 PolarHBondContact O-N 2.59Å; K350-V371 HydrophobicContact CB-CG1 4.43Å; K350-V372 CarbonylContact C-O 3.52Å; K350-D373 HydrophobicContact CB-CB 4.43Å; K350-D373 HydrophobicContact CD-CB 3.74Å; K350-D373 WeakPolarHBondContact CE-OD2 3.45Å; K350-D373 HydrophobicContact CG-CB 3.82Å; K350-D373 IonicContact NZ-OD2 2.7Å; K350-D373 PolarHBondContact NZ-OD2 3.45Å |
| 351 | L | 92.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 121.3 | 176.1 | -174.6 | 64.4 | 0 | 0 | 0 | 108.7 | L276 V287 I310 L312 F339 F353 V372 F375 | L276-L351 HydrophobicContact CD1-CD2 4.44Å; L276-L351 HydrophobicContact CD2-CD2 3.48Å; L276-L351 VanDerWaalsContact CD2-CD2 3.48Å; V287-L351 HydrophobicContact CG1-CD2 4.02Å; V287-L351 HydrophobicContact CG2-CD1 4.14Å; V287-L351 HydrophobicContact CG2-CD2 3.77Å; I310-L351 HydrophobicContact CG2-CD1 3.69Å; L312-L351 HydrophobicContact CD1-CB 4.43Å; L312-L351 HydrophobicContact CD1-CD1 4.43Å; F339-L351 HydrophobicContact CE2-CD1 4.25Å; F339-L351 HydrophobicContact CZ-CD1 4.39Å; L351-F353 HydrophobicContact CD2-CE1 4.1Å; L351-F353 HydrophobicContact CD2-CE2 4.01Å; L351-F353 HydrophobicContact CD2-CZ 3.4Å; L351-F353 VanDerWaalsContact CD2-CZ 3.4Å; L351-F353 HydrophobicContact CG-CE1 4.13Å; L351-F353 HydrophobicContact CG-CE2 4.03Å; L351-F353 HydrophobicContact CG-CZ 3.67Å; L351-V372 HydrophobicContact CB-CB 4.48Å; L351-V372 PolarHBondContact N-O 2.84Å; L351-V372 PolarHBondContact O-N 3.47Å; L351-F375 HydrophobicContact CB-CE1 3.65Å; L351-F375 HydrophobicContact CB-CZ 3.67Å; L351-F375 HydrophobicContact CD2-CE1 4.38Å |
| 352 | H | 91.4 | Very high | 87.2 | Confident | 24 Ų | 24 | 57.9 Ų | 57.9 | 11% | 0.111 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 125.3 | -173 | -176.1 | -75.6 | 0 | 0 | 0 | 110.1 | I310 Y311 L313 S354 Q369 | I310-H352 WeakPolarHBondContact CA-O 3.21Å; Y311-H352 AromaticContact CD2-ND1 3.9Å; Y311-H352 PolarHBondContact N-O 3.16Å; Y311-H352 PolarHBondContact O-N 3.14Å; L313-H352 HydrophobicContact CD1-CB 3.75Å; L313-H352 HydrophobicContact CG-CB 4Å; H352-S354 PolarHBondContact CE1-OG 3.23Å; H352-S354 VanDerWaalsContact CE1-OG 3.31Å; H352-Q369 PolarHBondContact CE1-OE1 3.04Å; H352-Q369 VanDerWaalsContact CE1-OE1 3.25Å; H352-Q369 PolarHBondContact NE2-OE1 3.08Å |
| 353 | F | 94.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 126.2 | 176.1 | -50.7 | -79.4 | 0 | 0 | 0 | 109.6 | L272 F274 V287 I289 V308 K309 I310 L351 Q369 V370 V372 | L272-F353 HydrophobicContact CD2-CB 3.88Å; L272-F353 HydrophobicContact CD2-CD1 4.22Å; L272-F353 HydrophobicContact CD2-CD2 4.12Å; L272-F353 HydrophobicContact CD2-CG 3.83Å; F274-F353 HydrophobicContact CD1-CE2 4.37Å; F274-F353 HydrophobicContact CD1-CZ 4.49Å; F274-F353 AromaticContact CD2-CE2 3.91Å; F274-F353 HydrophobicContact CD2-CE2 3.91Å; F274-F353 AromaticContact CD2-CZ 3.59Å; F274-F353 HydrophobicContact CD2-CZ 3.59Å; F274-F353 HydrophobicContact CE1-CE2 4.06Å; F274-F353 AromaticContact CE2-CE2 3.53Å; F274-F353 HydrophobicContact CE2-CE2 3.53Å; F274-F353 AromaticContact CE2-CZ 3.67Å; F274-F353 HydrophobicContact CE2-CZ 3.67Å; F274-F353 HydrophobicContact CG-CE2 4.31Å; F274-F353 HydrophobicContact CG-CZ 4.03Å; F274-F353 HydrophobicContact CZ-CD2 4.49Å; F274-F353 AromaticContact CZ-CE2 3.62Å; F274-F353 HydrophobicContact CZ-CE2 3.62Å; F274-F353 HydrophobicContact CZ-CZ 4.19Å; V287-F353 HydrophobicContact CG1-CE1 3.89Å; V287-F353 HydrophobicContact CG1-CZ 4.13Å; I289-F353 HydrophobicContact CD1-CD1 3.82Å; I289-F353 HydrophobicContact CD1-CE1 3.47Å; I289-F353 VanDerWaalsContact CD1-CE1 3.47Å; I289-F353 HydrophobicContact CD1-CZ 4.37Å; V308-F353 HydrophobicContact CG1-CB 4.07Å; V308-F353 HydrophobicContact CG1-CD1 4.31Å; K309-F353 WeakPolarHBondContact O-CA 3.15Å; I310-F353 HydrophobicContact CB-CD1 4.4Å; I310-F353 HydrophobicContact CG1-CD1 4.11Å; I310-F353 HydrophobicContact CG1-CE1 4.47Å; I310-F353 HydrophobicContact CG2-CD1 3.78Å; I310-F353 HydrophobicContact CG2-CE1 3.71Å; L351-F353 HydrophobicContact CD2-CE1 4.1Å; L351-F353 HydrophobicContact CD2-CE2 4.01Å; L351-F353 HydrophobicContact CD2-CZ 3.4Å; L351-F353 VanDerWaalsContact CD2-CZ 3.4Å; L351-F353 HydrophobicContact CG-CE1 4.13Å; L351-F353 HydrophobicContact CG-CE2 4.03Å; L351-F353 HydrophobicContact CG-CZ 3.67Å; F353-Q369 CarbonylContact O-C 3.5Å; F353-Q369 VanDerWaalsContact O-CA 3.23Å; F353-Q369 WeakPolarHBondContact O-CA 3.06Å; F353-V370 HydrophobicContact CB-CB 4.23Å; F353-V370 HydrophobicContact CD2-CB 3.91Å; F353-V370 HydrophobicContact CD2-CG1 3.9Å; F353-V370 HydrophobicContact CE2-CG1 4.44Å; F353-V370 PolarHBondContact N-O 3.5Å; F353-V370 PolarHBondContact O-N 3.19Å; F353-V372 HydrophobicContact CE2-CG2 4.31Å |
| 354 | S | 92.5 | Very high | 85.9 | Confident | 6 Ų | 6 | 62.2 Ų | 62.2 | 4% | 0.042 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 118.6 | 166.1 | -66.1 | 0 | 0 | 0 | 0 | 109.7 | V308 K309 H352 | V308-S354 WeakPolarHBondContact CA-O 3.31Å; K309-S354 PolarHBondContact N-O 3.04Å; K309-S354 PolarHBondContact O-N 2.67Å; H352-S354 PolarHBondContact CE1-OG 3.23Å; H352-S354 VanDerWaalsContact CE1-OG 3.31Å |
| 355 | V | 95.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 127.5 | 173.6 | -170.1 | 0 | 0 | 0 | 0 | 108.4 | L295 V308 I367 G368 I391 | L295-V355 HydrophobicContact CD1-CG1 4.48Å; L295-V355 HydrophobicContact CD2-CG1 4.38Å; V308-V355 HydrophobicContact CG2-CG2 4.31Å; V355-I367 HydrophobicContact CB-CB 4.26Å; V355-I367 HydrophobicContact CB-CG2 4.4Å; V355-I367 HydrophobicContact CG1-CB 4.08Å; V355-I367 HydrophobicContact CG1-CD1 4.24Å; V355-I367 HydrophobicContact CG1-CG2 4.12Å; V355-I367 WeakPolarHBondContact O-CB 3.33Å; V355-I367 PolarHBondContact O-N 2.87Å; V355-G368 PolarHBondContact N-O 3.25Å; V355-G368 PolarHBondContact O-N 3.04Å; V355-I391 HydrophobicContact CG2-CD1 4.02Å; V355-I391 HydrophobicContact CG2-CG1 4.33Å; V355-I391 HydrophobicContact CG2-CG2 4.35Å |
| 356 | Y | 93.5 | Very high | 85.4 | Confident | 48 Ų | 48 | 58.6 Ų | 58.6 | 19% | 0.188 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 150.4 | -176.8 | -78.9 | -82.6 | 0 | 0 | 0 | 110.9 | P306 Y307 K309 H364 D365 I366 | P306-Y356 CarbonylContact C-O 3.09Å; P306-Y356 VanDerWaalsContact CA-O 3.3Å; P306-Y356 WeakPolarHBondContact CA-O 3.42Å; Y307-Y356 HydrophobicContact CE1-CG 4.24Å; Y307-Y356 HydrophobicContact CE2-CD2 4.44Å; Y307-Y356 AromaticContact CZ-CG 3.91Å; Y307-Y356 PolarHBondContact N-O 3.21Å; Y307-Y356 PolarHBondContact O-N 3.03Å; Y307-Y356 WeakPolarHBondContact OH-CB 3.25Å; K309-Y356 HydrophobicContact CD-CD2 4.04Å; K309-Y356 HydrophobicContact CD-CE2 3.73Å; K309-Y356 HydrophobicContact CG-CD2 4.23Å; K309-Y356 HydrophobicContact CG-CE2 4.3Å; Y356-H364 HydrophobicContact CD1-CB 4.28Å; Y356-D365 CarbonylContact C-O 3.44Å; Y356-D365 WeakPolarHBondContact CA-O 3.3Å; Y356-I366 HydrophobicContact CD1-CB 4.11Å; Y356-I366 HydrophobicContact CD1-CG1 4.36Å; Y356-I366 HydrophobicContact CE1-CB 3.85Å; Y356-I366 HydrophobicContact CE1-CD1 4.4Å; Y356-I366 HydrophobicContact CE1-CG1 4.07Å |
| 357 | D | 92.4 | Very high | 85.5 | Confident | 6 Ų | 6 | 58.6 Ų | 58.6 | 3% | 0.032 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 139.6 | 159.3 | -167.3 | 16.9 | 0 | 0 | 0 | 110.2 | K298 D305 H364 D365 I367 | K298-D357 HydrophobicContact CB-CB 4.07Å; K298-D357 WeakPolarHBondContact CB-OD2 3.29Å; K298-D357 HydrophobicContact CG-CB 4.34Å; D305-D357 WeakPolarHBondContact CA-OD1 3.35Å; D305-D357 PolarHBondContact N-OD1 2.68Å; D357-H364 CarbonylContact O-C 3.59Å; D357-H364 WeakPolarHBondContact O-CA 3.44Å; D357-H364 VanDerWaalsContact O-CB 3.23Å; D357-H364 WeakPolarHBondContact O-CB 3.38Å; D357-D365 HydrophobicContact CB-CB 4.08Å; D357-D365 PolarHBondContact N-O 3.41Å; D357-D365 PolarHBondContact O-N 3.38Å; D357-I367 HydrophobicContact CB-CD1 4.2Å; D357-I367 HydrophobicContact CB-CG1 4.42Å |
| 358 | F | 90.8 | Very high | 85.6 | Confident | 55 Ų | 55 | 55.1 Ų | 55.1 | 24% | 0.241 | 26% | 0.257 | C | S | . | . | trans | -91.6 | 115.2 | 174.8 | 175.5 | -87 | 0 | 0 | 0 | 110.5 | D305 Y307 V324 R360 H364 | D305-F358 HydrophobicContact CB-CB 4Å; D305-F358 VanDerWaalsContact O-CB 3.25Å; D305-F358 WeakPolarHBondContact O-CB 3.24Å; D305-F358 PolarHBondContact O-N 3.33Å; Y307-F358 HydrophobicContact CD1-CB 3.96Å; Y307-F358 HydrophobicContact CE1-CB 4.13Å; V324-F358 HydrophobicContact CB-CB 4.37Å; V324-F358 HydrophobicContact CB-CG 4.48Å; V324-F358 HydrophobicContact CG1-CB 3.5Å; V324-F358 VanDerWaalsContact CG1-CB 3.5Å; V324-F358 HydrophobicContact CG1-CD1 4.16Å; V324-F358 HydrophobicContact CG1-CG 3.8Å; V324-F358 HydrophobicContact CG2-CB 3.88Å; V324-F358 HydrophobicContact CG2-CD2 3.8Å; V324-F358 HydrophobicContact CG2-CG 3.88Å; F358-R360 HydrophobicContact CE1-CB 4.28Å; F358-H364 AromaticContact CD2-CE1 3.38Å; F358-H364 WeakPolarHBondContact CD2-CE1 3.42Å; F358-H364 AromaticContact CD2-NE2 3.51Å; F358-H364 AromaticContact CE2-CE1 3.55Å; F358-H364 AromaticContact CE2-NE2 3.46Å; F358-H364 WeakPolarHBondContact CE2-NE2 3.35Å | ||
| 359 | D | 81.3 | Confident | 86 | Confident | 47 Ų | 47 | 52.1 Ų | 52.1 | 25% | 0.251 | 24% | 0.236 | S | C | . | . | trans | -108.4 | 133.6 | 174.9 | -161.9 | -36.4 | 0 | 0 | 0 | 110.8 | F361 S362 H364 | D359-F361 PolarHBondContact OD1-N 2.94Å; D359-S362 PolarHBondContact OD1-N 2.77Å; D359-S362 PolarHBondContact OD1-OG 2.79Å; D359-S362 WeakPolarHBondContact OD2-CB 3.46Å; D359-S362 PolarHBondContact OD2-OG 3.34Å; D359-H364 PolarHBondContact O-CD2 3.4Å; D359-H364 PolarHBondContact O-NE2 2.9Å | ||
| 360 | R | 81.3 | Confident | 86.3 | Confident | 188 Ų | 188 | 50.7 Ų | 50.7 | 71% | 0.709 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -79.4 | -26.8 | -177.9 | -176.5 | 174 | 178.4 | -175.1 | 0.5 | 113.3 | F358 | F358-R360 HydrophobicContact CE1-CB 4.28Š|
| 361 | F | 68.5 | Low | 86.5 | Confident | 176 Ų | 176 | 49.3 Ų | 49.3 | 77% | 0.772 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -127.9 | -5.6 | -171 | -57.4 | -66.4 | 0 | 0 | 0 | 113.6 | D359 | D359-F361 PolarHBondContact OD1-N 2.94Š|
| 362 | S | 65.3 | Low | 86.4 | Confident | 78 Ų | 78 | 49.3 Ų | 49.3 | 55% | 0.545 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -116.6 | -170.5 | 177.5 | -34.4 | 0 | 0 | 0 | 0 | 111.7 | D359 | D359-S362 PolarHBondContact OD1-N 2.77Å; D359-S362 PolarHBondContact OD1-OG 2.79Å; D359-S362 WeakPolarHBondContact OD2-CB 3.46Å; D359-S362 PolarHBondContact OD2-OG 3.34Å |
| 363 | R | 70.2 | Confident | 86.3 | Confident | 128 Ų | 128 | 51.3 Ų | 51.3 | 48% | 0.483 | 24% | 0.242 | S | C | . | . | P | Polyproline II helix | trans | -71.9 | 149.3 | 159.9 | -72.2 | -176 | 175 | 156.8 | 6.7 | 109.5 | D365 E537 Y538 | R363-D365 PolarHBondContact O-N 3.35Å; R363-E537 IonicContact CZ-OE1 3.06Å; R363-E537 IonicContact NH1-OE1 2.67Å; R363-E537 PolarHBondContact NH1-OE1 2.83Å; R363-Y538 PolarHBondContact NH1-O 3.27Å; R363-Y538 VanDerWaalsContact NH1-O 3.1Å |
| 364 | H | 81.3 | Confident | 85.8 | Confident | 68 Ų | 68 | 55 Ų | 55 | 32% | 0.315 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 117.8 | 172.9 | -65.2 | -175.7 | 0 | 0 | 0 | 109.7 | Y307 Y356 D357 F358 D359 | Y307-H364 HydrophobicContact CE1-CB 4.36Å; Y307-H364 AromaticContact CE1-ND1 3.64Å; Y307-H364 AromaticContact CZ-ND1 3.47Å; Y307-H364 PolarHBondContact OH-ND1 3.24Å; Y356-H364 HydrophobicContact CD1-CB 4.28Å; D357-H364 CarbonylContact O-C 3.59Å; D357-H364 WeakPolarHBondContact O-CA 3.44Å; D357-H364 VanDerWaalsContact O-CB 3.23Å; D357-H364 WeakPolarHBondContact O-CB 3.38Å; F358-H364 AromaticContact CD2-CE1 3.38Å; F358-H364 WeakPolarHBondContact CD2-CE1 3.42Å; F358-H364 AromaticContact CD2-NE2 3.51Å; F358-H364 AromaticContact CE2-CE1 3.55Å; F358-H364 AromaticContact CE2-NE2 3.46Å; F358-H364 WeakPolarHBondContact CE2-NE2 3.35Å; D359-H364 PolarHBondContact O-CD2 3.4Å; D359-H364 PolarHBondContact O-NE2 2.9Å |
| 365 | D | 80.9 | Confident | 85.4 | Confident | 75 Ų | 75 | 54.8 Ų | 54.8 | 40% | 0.401 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 132.7 | -171.7 | -136.8 | 47.6 | 0 | 0 | 0 | 110.8 | K298 Y356 D357 R363 I367 | K298-D365 WeakPolarHBondContact CD-OD2 3.44Å; K298-D365 IonicContact NZ-OD2 2.6Å; K298-D365 PolarHBondContact NZ-OD2 2.99Å; Y356-D365 CarbonylContact C-O 3.44Å; Y356-D365 WeakPolarHBondContact CA-O 3.3Å; D357-D365 HydrophobicContact CB-CB 4.08Å; D357-D365 PolarHBondContact N-O 3.41Å; D357-D365 PolarHBondContact O-N 3.38Å; R363-D365 PolarHBondContact O-N 3.35Å; D365-I367 PolarHBondContact O-N 2.92Å |
| 366 | I | 86.3 | Confident | 84.9 | Confident | 29 Ų | 29 | 58.4 Ų | 58.4 | 15% | 0.149 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 129.7 | 176.9 | -164.2 | 167.9 | 0 | 0 | 0 | 109.9 | K298 Y356 Q369 | K298-I366 WeakPolarHBondContact CE-O 3.47Å; K298-I366 PolarHBondContact NZ-O 2.86Å; Y356-I366 HydrophobicContact CD1-CB 4.11Å; Y356-I366 HydrophobicContact CD1-CG1 4.36Å; Y356-I366 HydrophobicContact CE1-CB 3.85Å; Y356-I366 HydrophobicContact CE1-CD1 4.4Å; Y356-I366 HydrophobicContact CE1-CG1 4.07Å; I366-Q369 HydrophobicContact CD1-CG 4.14Å |
| 367 | I | 90.7 | Very high | 84.5 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | -44.1 | 174.3 | -71.6 | 172.2 | 0 | 0 | 0 | 109.4 | C269 L295 P296 K298 P306 V355 D357 D365 | C269-I367 HydrophobicContact CB-CG2 4.24Å; C269-I367 WeakPolarHBondContact CB-O 3.36Å; C269-I367 PolarHBondContact SG-O 3.02Å; L295-I367 HydrophobicContact CD1-CD1 4.48Å; L295-I367 HydrophobicContact CD2-CG2 4.22Å; P296-I367 HydrophobicContact CG-CG2 3.76Å; K298-I367 HydrophobicContact CG-CG1 4.08Å; P306-I367 HydrophobicContact CB-CD1 4.45Å; V355-I367 HydrophobicContact CB-CB 4.26Å; V355-I367 HydrophobicContact CB-CG2 4.4Å; V355-I367 HydrophobicContact CG1-CB 4.08Å; V355-I367 HydrophobicContact CG1-CD1 4.24Å; V355-I367 HydrophobicContact CG1-CG2 4.12Å; V355-I367 WeakPolarHBondContact O-CB 3.33Å; V355-I367 PolarHBondContact O-N 2.87Å; D357-I367 HydrophobicContact CB-CD1 4.2Å; D357-I367 HydrophobicContact CB-CG1 4.42Å; D365-I367 PolarHBondContact O-N 2.92Å |
| 368 | G | 90.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.8 | -168.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V355 Q392 | V355-G368 PolarHBondContact N-O 3.25Å; V355-G368 PolarHBondContact O-N 3.04Å; G368-Q392 CarbonylContact C-O 3.58Å; G368-Q392 WeakPolarHBondContact CA-O 3.05Å |
| 369 | Q | 91.9 | Very high | 83.5 | Confident | 41 Ų | 41 | 63.9 Ų | 63.9 | 19% | 0.192 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 155.8 | -176.6 | -61.5 | 179.2 | 18.5 | 0 | 0 | 112.2 | H352 F353 I366 Q392 V394 | H352-Q369 PolarHBondContact CE1-OE1 3.04Å; H352-Q369 VanDerWaalsContact CE1-OE1 3.25Å; H352-Q369 PolarHBondContact NE2-OE1 3.08Å; F353-Q369 CarbonylContact O-C 3.5Å; F353-Q369 VanDerWaalsContact O-CA 3.23Å; F353-Q369 WeakPolarHBondContact O-CA 3.06Å; I366-Q369 HydrophobicContact CD1-CG 4.14Å; Q369-Q392 PolarHBondContact N-O 3.04Å; Q369-Q392 PolarHBondContact O-N 3.06Å; Q369-V394 HydrophobicContact CB-CG2 3.89Å; Q369-V394 HydrophobicContact CG-CB 4.39Å; Q369-V394 HydrophobicContact CG-CG2 3.72Å |
| 370 | V | 93.6 | Very high | 83.6 | Confident | 5 Ų | 5 | 67.5 Ų | 67.5 | 3% | 0.03 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 133.9 | 168.3 | 175 | 0 | 0 | 0 | 0 | 107.5 | L272 F274 F353 R389 I391 | L272-V370 HydrophobicContact CB-CG2 4.17Å; L272-V370 HydrophobicContact CD2-CG2 4.4Å; F274-V370 HydrophobicContact CE1-CG1 4.25Å; F274-V370 HydrophobicContact CZ-CG1 4.38Å; F353-V370 HydrophobicContact CB-CB 4.23Å; F353-V370 HydrophobicContact CD2-CB 3.91Å; F353-V370 HydrophobicContact CD2-CG1 3.9Å; F353-V370 HydrophobicContact CE2-CG1 4.44Å; F353-V370 PolarHBondContact N-O 3.5Å; F353-V370 PolarHBondContact O-N 3.19Å; V370-R389 HydrophobicContact CG1-CB 3.59Å; V370-R389 HydrophobicContact CG1-CG 3.98Å; V370-R389 HydrophobicContact CG2-CB 4.38Å; V370-I391 HydrophobicContact CG2-CB 4.37Å; V370-I391 HydrophobicContact CG2-CG1 3.91Å |
| 371 | V | 91.6 | Very high | 83.9 | Confident | 61 Ų | 61 | 59.7 Ų | 59.7 | 37% | 0.37 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 138.8 | 176.2 | -169 | 0 | 0 | 0 | 0 | 108.9 | K350 | K350-V371 HydrophobicContact CB-CG1 4.43Å |
| 372 | V | 90.8 | Very high | 84.6 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 115.7 | 170.3 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | F274 L276 K350 L351 F353 F375 L378 L387 | F274-V372 HydrophobicContact CE2-CG2 3.93Å; F274-V372 HydrophobicContact CZ-CG2 3.65Å; L276-V372 HydrophobicContact CD1-CG1 4.42Å; K350-V372 CarbonylContact C-O 3.52Å; L351-V372 HydrophobicContact CB-CB 4.48Å; L351-V372 PolarHBondContact N-O 2.84Å; L351-V372 PolarHBondContact O-N 3.47Å; F353-V372 HydrophobicContact CE2-CG2 4.31Å; V372-F375 HydrophobicContact CG1-CD1 4.23Å; V372-F375 HydrophobicContact CG1-CE1 4.2Å; V372-L378 HydrophobicContact CG1-CD1 4.03Å; V372-L387 HydrophobicContact CG2-CD1 4.46Å |
| 373 | D | 88.4 | Confident | 85.8 | Confident | 65 Ų | 65 | 58.7 Ų | 58.7 | 35% | 0.348 | 30% | 0.299 | S | S | . | . | trans | -109 | -177.2 | 164.9 | 41.7 | 15.3 | 0 | 0 | 0 | 110.3 | K350 F375 | K350-D373 HydrophobicContact CB-CB 4.43Å; K350-D373 HydrophobicContact CD-CB 3.74Å; K350-D373 WeakPolarHBondContact CE-OD2 3.45Å; K350-D373 HydrophobicContact CG-CB 3.82Å; K350-D373 IonicContact NZ-OD2 2.7Å; K350-D373 PolarHBondContact NZ-OD2 3.45Å; D373-F375 PolarHBondContact O-N 2.93Å | ||
| 374 | N | 84.3 | Confident | 86.8 | Confident | 79 Ų | 79 | 57.6 Ų | 57.6 | 42% | 0.422 | 30% | 0.299 | S | S | . | . | trans | 46.8 | 54.5 | 177.4 | -65.8 | 25.3 | 0 | 0 | 0 | 113.7 | L376 D377 | N374-L376 PolarHBondContact O-N 2.77Å; N374-D377 HydrophobicContact CB-CB 4.12Å; N374-D377 VanDerWaalsContact CB-OD2 3.28Å; N374-D377 WeakPolarHBondContact CB-OD2 3.47Å; N374-D377 PolarHBondContact ND2-OD2 3.05Å; N374-D377 WeakPolarHBondContact O-CB 3.5Å; N374-D377 PolarHBondContact O-N 3.17Å | ||
| 375 | F | 85.4 | Confident | 87.4 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -54.3 | -29 | -176.5 | -54.6 | -82.6 | 0 | 0 | 0 | 114 | L276 L285 L312 L346 R349 L351 V372 D373 D377 L378 F381 | L276-F375 HydrophobicContact CD1-CD1 4.12Å; L276-F375 HydrophobicContact CD1-CE1 4.39Å; L285-F375 HydrophobicContact CD2-CE1 4.19Å; L285-F375 HydrophobicContact CD2-CZ 4.3Å; L312-F375 HydrophobicContact CD1-CZ 4.05Å; L346-F375 HydrophobicContact CB-CD2 4.29Å; L346-F375 HydrophobicContact CD2-CD2 4.46Å; L346-F375 WeakPolarHBondContact O-CD2 3.19Å; R349-F375 HydrophobicContact CB-CE2 4.04Å; R349-F375 WeakPolarHBondContact O-CE2 3.43Å; L351-F375 HydrophobicContact CB-CE1 3.65Å; L351-F375 HydrophobicContact CB-CZ 3.67Å; L351-F375 HydrophobicContact CD2-CE1 4.38Å; V372-F375 HydrophobicContact CG1-CD1 4.23Å; V372-F375 HydrophobicContact CG1-CE1 4.2Å; D373-F375 PolarHBondContact O-N 2.93Å; F375-D377 VanDerWaalsContact C-N 3.32Å; F375-L378 HydrophobicContact CB-CD1 4.46Å; F375-L378 HydrophobicContact CD1-CD1 4.43Å; F375-L378 WeakPolarHBondContact O-CB 3.2Å; F375-L378 WeakPolarHBondContact O-CG 3.45Å; F375-L378 PolarHBondContact O-N 3.31Å; F375-F381 HydrophobicContact CB-CD1 4.23Å; F375-F381 HydrophobicContact CB-CE1 3.89Å; F375-F381 HydrophobicContact CB-CE2 4.34Å; F375-F381 HydrophobicContact CB-CZ 3.94Å; F375-F381 WeakPolarHBondContact O-CB 3.39Å; F375-F381 WeakPolarHBondContact O-CD1 3.34Å; F375-F381 VanDerWaalsContact O-CG 3.26Å; F375-F381 WeakPolarHBondContact O-CG 3.41Å |
| 376 | L | 84 | Confident | 88 | Confident | 76 Ų | 76 | 57.8 Ų | 57.8 | 40% | 0.398 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -72.6 | -22.3 | 179.3 | -52.3 | -172.1 | 0 | 0 | 0 | 113.4 | Y343 P347 N374 L378 F381 | Y343-L376 HydrophobicContact CE2-CD2 4.11Å; Y343-L376 WeakPolarHBondContact OH-CD2 3.2Å; P347-L376 HydrophobicContact CG-CD1 3.91Å; N374-L376 PolarHBondContact O-N 2.77Å; L376-L378 PolarHBondContact O-N 3.1Å; L376-F381 HydrophobicContact CD2-CD1 4.05Å; L376-F381 HydrophobicContact CD2-CE1 3.88Å |
| 377 | D | 84.5 | Confident | 88.4 | Confident | 126 Ų | 126 | 57.6 Ų | 57.6 | 67% | 0.674 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -81.5 | -5.5 | 177.1 | -58.5 | -3.9 | 0 | 0 | 0 | 111.6 | N374 F375 | N374-D377 HydrophobicContact CB-CB 4.12Å; N374-D377 VanDerWaalsContact CB-OD2 3.28Å; N374-D377 WeakPolarHBondContact CB-OD2 3.47Å; N374-D377 PolarHBondContact ND2-OD2 3.05Å; N374-D377 WeakPolarHBondContact O-CB 3.5Å; N374-D377 PolarHBondContact O-N 3.17Å; F375-D377 VanDerWaalsContact C-N 3.32Å |
| 378 | L | 85.9 | Confident | 88.6 | Confident | 22 Ų | 22 | 60.4 Ų | 60.4 | 12% | 0.115 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -81.6 | 128.3 | -179 | -58.3 | 174 | 0 | 0 | 0 | 111 | L276 V372 F375 L376 D380 F381 T385 L387 | L276-L378 HydrophobicContact CD1-CD1 3.94Å; V372-L378 HydrophobicContact CG1-CD1 4.03Å; F375-L378 HydrophobicContact CB-CD1 4.46Å; F375-L378 HydrophobicContact CD1-CD1 4.43Å; F375-L378 WeakPolarHBondContact O-CB 3.2Å; F375-L378 WeakPolarHBondContact O-CG 3.45Å; F375-L378 PolarHBondContact O-N 3.31Å; L376-L378 PolarHBondContact O-N 3.1Å; L378-D380 PolarHBondContact O-N 3.39Å; L378-F381 HydrophobicContact CB-CB 4.04Å; L378-F381 WeakPolarHBondContact O-CB 3.47Å; L378-F381 PolarHBondContact O-N 2.92Å; L378-T385 HydrophobicContact CB-CG2 4.28Å; L378-L387 HydrophobicContact CD1-CD1 4.16Å; L378-L387 HydrophobicContact CD2-CD2 4.46Å |
| 379 | A | 75.8 | Confident | 88.9 | Confident | 77 Ų | 77 | 65.6 Ų | 65.6 | 64% | 0.636 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 142.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F381 T385 | A379-F381 PolarHBondContact O-N 2.9Å; A379-T385 WeakPolarHBondContact O-CG2 3.26Å; A379-T385 PolarHBondContact O-OG1 2.78Å; A379-T385 VanDerWaalsContact O-OG1 3.04Å |
| 380 | D | 84.4 | Confident | 89 | Confident | 122 Ų | 122 | 70.8 Ų | 70.8 | 65% | 0.652 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | -7.1 | -176.4 | -55.7 | -52.3 | 0 | 0 | 0 | 117.1 | L378 R383 | L378-D380 PolarHBondContact O-N 3.39Å; D380-R383 CarbonylContact O-C 3.47Å; D380-R383 VanDerWaalsContact O-CA 3.27Å; D380-R383 WeakPolarHBondContact O-CA 3.42Å; D380-R383 WeakPolarHBondContact O-CB 3.44Å; D380-R383 PolarHBondContact O-N 3.3Å |
| 381 | F | 86.9 | Confident | 89.1 | Confident | 24 Ų | 24 | 70.7 Ų | 70.7 | 11% | 0.105 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | 143.1 | 174.9 | -166.9 | -95.1 | 0 | 0 | 0 | 109.8 | F278 L285 Y343 L346 F375 L376 L378 A379 T385 | F278-F381 HydrophobicContact CB-CE1 4.48Å; F278-F381 HydrophobicContact CB-CE2 4.17Å; F278-F381 HydrophobicContact CB-CZ 3.77Å; L285-F381 HydrophobicContact CD1-CE2 3.97Å; L285-F381 HydrophobicContact CD1-CZ 4.19Å; Y343-F381 HydrophobicContact CE2-CE1 4.46Å; L346-F381 HydrophobicContact CD1-CE1 4.02Å; L346-F381 HydrophobicContact CD1-CZ 3.99Å; F375-F381 HydrophobicContact CB-CD1 4.23Å; F375-F381 HydrophobicContact CB-CE1 3.89Å; F375-F381 HydrophobicContact CB-CE2 4.34Å; F375-F381 HydrophobicContact CB-CZ 3.94Å; F375-F381 WeakPolarHBondContact O-CB 3.39Å; F375-F381 WeakPolarHBondContact O-CD1 3.34Å; F375-F381 VanDerWaalsContact O-CG 3.26Å; F375-F381 WeakPolarHBondContact O-CG 3.41Å; L376-F381 HydrophobicContact CD2-CD1 4.05Å; L376-F381 HydrophobicContact CD2-CE1 3.88Å; L378-F381 HydrophobicContact CB-CB 4.04Å; L378-F381 WeakPolarHBondContact O-CB 3.47Å; L378-F381 PolarHBondContact O-N 2.92Å; A379-F381 PolarHBondContact O-N 2.9Å; F381-T385 WeakPolarHBondContact CA-OG1 3.4Å; F381-T385 PolarHBondContact N-OG1 3.5Å |
| 382 | P | 84.4 | Confident | 89 | Confident | 34 Ų | 34 | 74.1 Ų | 74.1 | 22% | 0.221 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -79.8 | 7 | 4.8 | 31 | -36.1 | 0 | 0 | 0 | 117 | F278 Y343 | F278-P382 HydrophobicContact CB-CB 3.8Å; F278-P382 PolarHBondContact N-O 3.46Å; Y343-P382 HydrophobicContact CE2-CB 4.38Å |
| 383 | R | 89.1 | Confident | 88.6 | Confident | 200 Ų | 200 | 81.2 Ų | 81.2 | 76% | 0.755 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -76.1 | -165.2 | 177.1 | -47 | -176.8 | 175 | -155.3 | -1.8 | 110.7 | L276 D380 T385 | L276-R383 VanDerWaalsContact O-O 3.09Å; D380-R383 CarbonylContact O-C 3.47Å; D380-R383 VanDerWaalsContact O-CA 3.27Å; D380-R383 WeakPolarHBondContact O-CA 3.42Å; D380-R383 WeakPolarHBondContact O-CB 3.44Å; D380-R383 PolarHBondContact O-N 3.3Å; R383-T385 VanDerWaalsContact C-N 3.34Å; R383-T385 PolarHBondContact O-N 2.87Å |
| 384 | E | 92 | Very high | 87.6 | Confident | 105 Ų | 105 | 79.5 Ų | 79.5 | 49% | 0.491 | 39% | 0.388 | S | S | . | . | trans | -74.5 | 79 | -175.1 | -166.2 | -167.5 | 129.8 | 0 | 0 | 112.8 | I275 L276 K386 | I275-E384 HydrophobicContact CG2-CG 3.37Å; L276-E384 CarbonylContact O-C 3.6Å; L276-E384 WeakPolarHBondContact O-CA 3.48Å; E384-K386 PolarHBondContact O-N 2.88Å; E384-K386 VanDerWaalsContact OE1-CE 3.3Å; E384-K386 WeakPolarHBondContact OE1-CE 3.45Å; E384-K386 IonicContact OE1-NZ 3.04Å; E384-K386 PolarHBondContact OE1-NZ 2.89Å | ||
| 385 | T | 93.4 | Very high | 86.3 | Confident | 5 Ų | 5 | 77 Ų | 77 | 3% | 0.031 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 114.9 | 176.3 | -55.9 | 0 | 0 | 0 | 0 | 111.1 | I275 L276 L378 A379 F381 R383 L387 | I275-T385 WeakPolarHBondContact CA-O 3.28Å; I275-T385 WeakPolarHBondContact CG2-O 3.18Å; L276-T385 PolarHBondContact N-O 2.9Å; L276-T385 PolarHBondContact O-N 2.88Å; L378-T385 HydrophobicContact CB-CG2 4.28Å; A379-T385 WeakPolarHBondContact O-CG2 3.26Å; A379-T385 PolarHBondContact O-OG1 2.78Å; A379-T385 VanDerWaalsContact O-OG1 3.04Å; F381-T385 WeakPolarHBondContact CA-OG1 3.4Å; F381-T385 PolarHBondContact N-OG1 3.5Å; R383-T385 VanDerWaalsContact C-N 3.34Å; R383-T385 PolarHBondContact O-N 2.87Å; T385-L387 HydrophobicContact CG2-CD2 3.89Å; T385-L387 HydrophobicContact CG2-CG 3.98Å |
| 386 | K | 94.6 | Very high | 84.8 | Confident | 141 Ų | 141 | 79.4 Ų | 79.4 | 61% | 0.613 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 122.4 | 174.8 | -63.3 | -177.2 | 177.6 | 61.6 | 0 | 110.4 | I275 E384 | I275-K386 HydrophobicContact CD1-CG 4.19Å; I275-K386 HydrophobicContact CG1-CG 4.15Å; I275-K386 HydrophobicContact CG2-CG 4.16Å; E384-K386 PolarHBondContact O-N 2.88Å; E384-K386 VanDerWaalsContact OE1-CE 3.3Å; E384-K386 WeakPolarHBondContact OE1-CE 3.45Å; E384-K386 IonicContact OE1-NZ 3.04Å; E384-K386 PolarHBondContact OE1-NZ 2.89Å |
| 387 | L | 94.6 | Very high | 83.1 | Confident | 25 Ų | 25 | 82.1 Ų | 82.1 | 13% | 0.131 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 138.7 | -177.9 | -65.4 | 177.7 | 0 | 0 | 0 | 112.1 | H273 F274 L276 V372 L378 T385 | H273-L387 WeakPolarHBondContact CA-O 3.37Å; F274-L387 HydrophobicContact CD1-CB 4.44Å; F274-L387 HydrophobicContact CD2-CB 4.22Å; F274-L387 HydrophobicContact CD2-CD1 4.36Å; F274-L387 HydrophobicContact CE1-CB 4.05Å; F274-L387 HydrophobicContact CE2-CB 3.83Å; F274-L387 HydrophobicContact CE2-CD1 3.5Å; F274-L387 VanDerWaalsContact CE2-CD1 3.5Å; F274-L387 HydrophobicContact CE2-CG 4.26Å; F274-L387 HydrophobicContact CZ-CB 3.73Å; F274-L387 HydrophobicContact CZ-CD1 3.8Å; F274-L387 HydrophobicContact CZ-CG 4.43Å; F274-L387 PolarHBondContact N-O 2.88Å; F274-L387 PolarHBondContact O-N 3.31Å; F274-L387 VanDerWaalsContact O-O 3.1Å; L276-L387 HydrophobicContact CD1-CD1 3.78Å; L276-L387 HydrophobicContact CG-CD1 4.22Å; V372-L387 HydrophobicContact CG2-CD1 4.46Å; L378-L387 HydrophobicContact CD1-CD1 4.16Å; L378-L387 HydrophobicContact CD2-CD2 4.46Å; T385-L387 HydrophobicContact CG2-CD2 3.89Å; T385-L387 HydrophobicContact CG2-CG 3.98Å |
| 388 | C | 95.1 | Very high | 81.4 | Confident | 60 Ų | 60 | 82.6 Ų | 82.6 | 41% | 0.405 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 129.2 | 160.6 | -176.1 | 0 | 0 | 0 | 0 | 107.4 | L272 H273 | L272-C388 WeakPolarHBondContact O-CA 3.49Å; H273-C388 VanDerWaalsContact CE1-SG 3.5Å; H273-C388 PolarHBondContact NE2-SG 3.16Å |
| 389 | R | 95.3 | Very high | 80.3 | Confident | 109 Ų | 109 | 84.1 Ų | 84.1 | 41% | 0.411 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 139.9 | 176.5 | -63.6 | -66.7 | -172.3 | 163.2 | 2.7 | 109.4 | R271 L272 F274 V370 | R271-R389 CarbonylContact C-O 3.52Å; R271-R389 WeakPolarHBondContact CA-O 3.42Å; L272-R389 PolarHBondContact N-O 3.25Å; L272-R389 PolarHBondContact O-N 2.82Å; F274-R389 HydrophobicContact CE1-CB 4.18Å; F274-R389 HydrophobicContact CE1-CG 3.89Å; F274-R389 HydrophobicContact CZ-CG 3.9Å; V370-R389 HydrophobicContact CG1-CB 3.59Å; V370-R389 HydrophobicContact CG1-CG 3.98Å; V370-R389 HydrophobicContact CG2-CB 4.38Å |
| 390 | E | 95.3 | Very high | 80.3 | Confident | 150 Ų | 150 | 85.2 Ų | 85.2 | 70% | 0.701 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 137.1 | 171.2 | -61.6 | -171.8 | 156 | 0 | 0 | 110 | R271 Q392 | R271-E390 HydrophobicContact CG-CG 4.44Å; E390-Q392 PolarHBondContact O-N 3.34Å |
| 391 | I | 94.4 | Very high | 80.5 | Confident | 3 Ų | 3 | 79.9 Ų | 79.9 | 2% | 0.015 | 39% | 0.388 | C | S | . | . | trans | -80.7 | 114 | 177.2 | -62.1 | 163.9 | 0 | 0 | 0 | 107.1 | C269 G270 L272 L295 V355 V370 | C269-I391 HydrophobicContact CB-CB 4.16Å; C269-I391 HydrophobicContact CB-CG2 3.88Å; C269-I391 WeakPolarHBondContact CB-O 3.25Å; C269-I391 PolarHBondContact N-O 3.45Å; C269-I391 WeakPolarHBondContact O-CD1 3.35Å; G270-I391 PolarHBondContact O-N 2.89Å; L272-I391 HydrophobicContact CB-CD1 4.23Å; L272-I391 HydrophobicContact CB-CG1 4.04Å; L295-I391 HydrophobicContact CD2-CD1 3.38Å; V355-I391 HydrophobicContact CG2-CD1 4.02Å; V355-I391 HydrophobicContact CG2-CG1 4.33Å; V355-I391 HydrophobicContact CG2-CG2 4.35Å; V370-I391 HydrophobicContact CG2-CB 4.37Å; V370-I391 HydrophobicContact CG2-CG1 3.91Å | ||
| 392 | Q | 89.6 | Confident | 80.7 | Confident | 133 Ų | 133 | 78.8 Ų | 78.8 | 62% | 0.621 | 38% | 0.384 | S | S | * | . | B | Isolated β-bridge | trans | -74.4 | 129.8 | 179.3 | -62 | -177.5 | 4.1 | 0 | 0 | 109.2 | G368 Q369 E390 V394 | G368-Q392 CarbonylContact C-O 3.58Å; G368-Q392 WeakPolarHBondContact CA-O 3.05Å; Q369-Q392 PolarHBondContact N-O 3.04Å; Q369-Q392 PolarHBondContact O-N 3.06Å; E390-Q392 PolarHBondContact O-N 3.34Å; Q392-V394 PolarHBondContact O-N 2.92Å |
| 393 | Y | 82.1 | Confident | 81 | Confident | 150 Ų | 150 | 78.6 Ų | 78.6 | 59% | 0.588 | 38% | 0.381 | S | S | * | . | trans | -64.8 | 125.2 | 170.8 | -173 | -119.4 | 0 | 0 | 0 | 109.2 | C269 | C269-Y393 VanDerWaalsContact SG-CB 3.54Å; C269-Y393 VanDerWaalsContact SG-CD2 3.53Å | ||
| 394 | V | 67.5 | Low | 81.4 | Confident | 28 Ų | 28 | 69.1 Ų | 69.1 | 17% | 0.17 | 35% | 0.345 | C | S | . | . | trans | -112.4 | 103.1 | 170.8 | 179.1 | 0 | 0 | 0 | 0 | 106.9 | Q369 Q392 | Q369-V394 HydrophobicContact CB-CG2 3.89Å; Q369-V394 HydrophobicContact CG-CB 4.39Å; Q369-V394 HydrophobicContact CG-CG2 3.72Å; Q392-V394 PolarHBondContact O-N 2.92Å | ||
| 395 | S | 57.4 | Low | 81.7 | Confident | 26 Ų | 26 | 65.8 Ų | 65.8 | 18% | 0.182 | 33% | 0.33 | C | S | . | . | trans | -65.6 | 143 | 165 | 69.7 | 0 | 0 | 0 | 0 | 109.2 | D397 N398 | S395-D397 WeakPolarHBondContact CB-OD2 3.34Å; S395-D397 PolarHBondContact O-N 2.74Å; S395-D397 PolarHBondContact OG-OD2 3.06Å; S395-N398 PolarHBondContact O-N 3.42Å | ||
| 396 | S | 53.5 | Low | 81.9 | Confident | 51 Ų | 51 | 65.5 Ų | 65.5 | 36% | 0.357 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -56.5 | -20.8 | -178.7 | -74.4 | 0 | 0 | 0 | 0 | 113.4 | N398 V399 E537 | S396-N398 PolarHBondContact O-N 3.17Å; S396-N398 VanDerWaalsContact O-N 3.15Å; S396-V399 PolarHBondContact O-N 2.92Å; S396-E537 VanDerWaalsContact CB-OE2 3.28Å; S396-E537 WeakPolarHBondContact CB-OE2 3.33Å; S396-E537 PolarHBondContact OG-OE2 2.91Å |
| 397 | D | 48.9 | Very low | 82.1 | Confident | 133 Ų | 133 | 59.4 Ų | 59.4 | 71% | 0.711 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -59.2 | -22.7 | -178.9 | -33.1 | -55.4 | 0 | 0 | 0 | 113.8 | S395 | S395-D397 WeakPolarHBondContact CB-OD2 3.34Å; S395-D397 PolarHBondContact O-N 2.74Å; S395-D397 PolarHBondContact OG-OD2 3.06Å |
| 398 | N | 49.3 | Very low | 82.3 | Confident | 136 Ų | 136 | 58.2 Ų | 58.2 | 73% | 0.727 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -100.9 | 14.3 | -178 | -76.6 | -66.8 | 0 | 0 | 0 | 114.4 | S395 S396 | S395-N398 PolarHBondContact O-N 3.42Å; S396-N398 PolarHBondContact O-N 3.17Å; S396-N398 VanDerWaalsContact O-N 3.15Å |
| 399 | V | 63.3 | Low | 82.4 | Confident | 55 Ų | 55 | 56.1 Ų | 56.1 | 33% | 0.333 | 28% | 0.283 | S | S | . | . | trans | -88.9 | 111.2 | 167.7 | -172.3 | 0 | 0 | 0 | 0 | 108.7 | S396 L401 K428 | S396-V399 PolarHBondContact O-N 2.92Å; V399-L401 HydrophobicContact CB-CD2 4.21Å; V399-L401 HydrophobicContact CG1-CD2 3.62Å; V399-L401 HydrophobicContact CG1-CG 4.47Å; V399-L401 PolarHBondContact O-N 2.9Å; V399-K428 HydrophobicContact CG1-CD 4.25Å | ||
| 400 | D | 75.1 | Confident | 82.5 | Confident | 100 Ų | 100 | 51.2 Ų | 51.2 | 54% | 0.535 | 27% | 0.265 | S | S | . | . | trans | -62.7 | 111.3 | 166.9 | -174.3 | 6.2 | 0 | 0 | 0 | 109.1 | G402 | D400-G402 WeakPolarHBondContact OD1-CA 3.28Å; D400-G402 PolarHBondContact OD1-N 2.74Å | ||
| 401 | L | 88.6 | Confident | 82.6 | Confident | 10 Ų | 10 | 46.5 Ų | 46.5 | 5% | 0.052 | 24% | 0.244 | C | C | . | . | trans | -96.6 | -2.8 | 175.3 | -56.2 | 179 | 0 | 0 | 0 | 111.9 | V399 L427 K428 L535 E537 | V399-L401 HydrophobicContact CB-CD2 4.21Å; V399-L401 HydrophobicContact CG1-CD2 3.62Å; V399-L401 HydrophobicContact CG1-CG 4.47Å; V399-L401 PolarHBondContact O-N 2.9Å; L401-L427 WeakPolarHBondContact O-CA 3.4Å; L401-K428 HydrophobicContact CD2-CB 4.22Å; L401-K428 HydrophobicContact CD2-CD 3.52Å; L401-K428 PolarHBondContact O-N 2.81Å; L401-L535 HydrophobicContact CB-CB 3.87Å; L401-E537 HydrophobicContact CD1-CB 4.41Å | ||
| 402 | G | 90.2 | Very high | 82.6 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | trans | 93.7 | 168.8 | -173 | 0 | 0 | 0 | 0 | 0 | 114 | D400 R425 N426 L535 | D400-G402 WeakPolarHBondContact OD1-CA 3.28Å; D400-G402 PolarHBondContact OD1-N 2.74Å; G402-R425 CarbonylContact C-O 3.04Å; G402-R425 WeakPolarHBondContact CA-O 3.37Å; G402-N426 VanDerWaalsContact CA-O 3.27Å; G402-N426 WeakPolarHBondContact CA-O 3.41Å; G402-N426 PolarHBondContact N-O 2.92Å; G402-L535 VanDerWaalsContact O-CB 3.26Å; G402-L535 WeakPolarHBondContact O-CB 3.21Å; G402-L535 VanDerWaalsContact O-CG 3.26Å; G402-L535 WeakPolarHBondContact O-CG 3.47Å; G402-L535 PolarHBondContact O-N 3.44Å | ||
| 403 | D | 92 | Very high | 82.8 | Confident | 30 Ų | 30 | 49 Ų | 49 | 16% | 0.16 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 147.7 | 171.5 | -57 | -69.3 | 0 | 0 | 0 | 111.1 | A424 R425 W532 H533 P534 | D403-A424 CarbonylContact O-C 3.57Å; D403-A424 WeakPolarHBondContact O-CA 3.49Å; D403-A424 VanDerWaalsContact O-CB 3.31Å; D403-A424 WeakPolarHBondContact O-CB 3.22Å; D403-R425 HydrophobicContact CB-CG 4.05Å; D403-R425 PolarHBondContact N-O 3.34Å; D403-R425 PolarHBondContact O-N 2.89Å; D403-R425 IonicContact OD2-CZ 2.75Å; D403-R425 IonicContact OD2-NE 3.71Å; D403-R425 PolarHBondContact OD2-NE 2.8Å; D403-R425 IonicContact OD2-NH2 3.72Å; D403-R425 PolarHBondContact OD2-NH2 2.86Å; D403-W532 HydrophobicContact CB-CD2 4.4Å; D403-W532 HydrophobicContact CB-CE3 3.48Å; D403-W532 VanDerWaalsContact CB-CE3 3.48Å; D403-W532 HydrophobicContact CB-CZ3 3.96Å; D403-H533 WeakPolarHBondContact CA-O 3.45Å; D403-P534 WeakPolarHBondContact OD1-CA 3.18Å |
| 404 | L | 97.6 | Very high | 83.5 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 126.4 | 171.6 | -179.1 | 69.8 | 0 | 0 | 0 | 110.8 | F406 M421 A424 V440 I487 V489 H533 L535 | L404-F406 HydrophobicContact CD2-CD1 4.07Å; L404-F406 HydrophobicContact CD2-CE1 4.46Å; L404-F406 HydrophobicContact CG-CD1 4.08Å; L404-M421 HydrophobicContact CD1-SD 4.47Å; L404-M421 HydrophobicContact CD2-SD 4.13Å; L404-A424 HydrophobicContact CD1-CB 3.87Å; L404-V440 HydrophobicContact CD1-CG2 4.03Å; L404-V440 HydrophobicContact CD2-CG1 4.08Å; L404-I487 HydrophobicContact CD2-CG2 3.46Å; L404-I487 VanDerWaalsContact CD2-CG2 3.46Å; L404-V489 HydrophobicContact CD1-CG2 4.23Å; L404-V489 HydrophobicContact CD2-CG2 4.02Å; L404-V489 HydrophobicContact CG-CG2 4.49Å; L404-H533 PolarHBondContact N-O 3.42Å; L404-H533 PolarHBondContact O-N 3.45Å; L404-L535 HydrophobicContact CB-CD2 4.04Å; L404-L535 HydrophobicContact CB-CG 4.42Å |
| 405 | M | 97.9 | Very high | 84.8 | Confident | 35 Ų | 35 | 43.5 Ų | 43.5 | 17% | 0.172 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 125.9 | 172.8 | -155.1 | 175 | 79.3 | 0 | 0 | 111.1 | I422 Q423 H531 W532 | M405-I422 HydrophobicContact CE-CB 3.87Å; M405-I422 HydrophobicContact CE-CD1 3.8Å; M405-I422 HydrophobicContact CE-CG1 4.44Å; M405-I422 HydrophobicContact CE-CG2 3.46Å; M405-I422 VanDerWaalsContact CE-CG2 3.46Å; M405-I422 WeakPolarHBondContact O-CB 3.4Å; M405-I422 PolarHBondContact O-N 2.84Å; M405-Q423 WeakPolarHBondContact CA-O 3.42Å; M405-Q423 HydrophobicContact CB-CG 3.97Å; M405-Q423 HydrophobicContact CE-CG 4.14Å; M405-Q423 PolarHBondContact N-O 3.49Å; M405-Q423 PolarHBondContact O-N 2.89Å; M405-H531 WeakPolarHBondContact CA-O 3.42Å; M405-W532 HydrophobicContact CB-CD2 3.72Å; M405-W532 HydrophobicContact CB-CE3 3.59Å; M405-W532 HydrophobicContact CB-CG 4.41Å; M405-W532 HydrophobicContact CB-CH2 3.99Å; M405-W532 HydrophobicContact CB-CZ2 4.09Å; M405-W532 HydrophobicContact CB-CZ3 3.73Å; M405-W532 HydrophobicContact CG-CD2 3.89Å; M405-W532 HydrophobicContact CG-CE3 4.29Å; M405-W532 HydrophobicContact CG-CG 4.17Å; M405-W532 HydrophobicContact CG-CZ2 4.36Å; M405-W532 HydrophobicContact SD-CD2 4.08Å; M405-W532 HydrophobicContact SD-CG 4.44Å; M405-W532 HydrophobicContact SD-CH2 4.49Å; M405-W532 HydrophobicContact SD-CZ2 3.71Å; M405-W532 PolarHBondContact SD-NE1 2.96Å; M405-W532 VanDerWaalsContact SD-NE1 3.41Å |
| 406 | F | 98.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 159.4 | 174 | 58 | -88.4 | 0 | 0 | 0 | 111.3 | L404 L408 I419 T420 M421 I487 V506 H517 A530 H531 H533 | L404-F406 HydrophobicContact CD2-CD1 4.07Å; L404-F406 HydrophobicContact CD2-CE1 4.46Å; L404-F406 HydrophobicContact CG-CD1 4.08Å; F406-L408 HydrophobicContact CD2-CD2 4.15Å; F406-L408 HydrophobicContact CD2-CG 4.19Å; F406-L408 HydrophobicContact CE2-CD1 4.31Å; F406-L408 HydrophobicContact CE2-CD2 4.1Å; F406-L408 HydrophobicContact CE2-CG 4.07Å; F406-I419 HydrophobicContact CB-CG1 4.42Å; F406-I419 HydrophobicContact CD2-CD1 3.7Å; F406-I419 HydrophobicContact CD2-CG1 3.98Å; F406-I419 HydrophobicContact CE2-CD1 4.12Å; F406-I419 HydrophobicContact CG-CD1 4.26Å; F406-I419 HydrophobicContact CG-CG1 4.49Å; F406-T420 CarbonylContact C-O 3.5Å; F406-T420 WeakPolarHBondContact CA-O 3.23Å; F406-T420 WeakPolarHBondContact CB-O 3.15Å; F406-M421 HydrophobicContact CB-CE 3.43Å; F406-M421 VanDerWaalsContact CB-CE 3.43Å; F406-M421 HydrophobicContact CB-SD 4.39Å; F406-M421 HydrophobicContact CD1-CE 4.26Å; F406-M421 HydrophobicContact CD2-CE 4.41Å; F406-M421 HydrophobicContact CG-CE 3.81Å; F406-I487 HydrophobicContact CD1-CD1 4.2Å; F406-I487 HydrophobicContact CD2-CD1 4.25Å; F406-I487 HydrophobicContact CE1-CD1 3.73Å; F406-I487 HydrophobicContact CE2-CD1 3.78Å; F406-I487 HydrophobicContact CG-CD1 4.45Å; F406-I487 HydrophobicContact CZ-CD1 3.51Å; F406-V506 HydrophobicContact CE2-CG2 3.83Å; F406-V506 HydrophobicContact CZ-CG2 3.5Å; F406-H517 AromaticContact CD2-CE1 3.6Å; F406-H517 AromaticContact CE2-CE1 3.34Å; F406-H517 WeakPolarHBondContact CE2-CE1 3.44Å; F406-H517 AromaticContact CE2-ND1 3.37Å; F406-H517 WeakPolarHBondContact CE2-ND1 3.34Å; F406-H517 AromaticContact CZ-ND1 3.8Å; F406-H517 PolarHBondContact O-CE1 2.95Å; F406-A530 WeakPolarHBondContact O-CA 3.39Å; F406-H531 PolarHBondContact N-O 3.19Å; F406-H531 PolarHBondContact O-N 2.89Å; F406-H531 VanDerWaalsContact O-N 3.15Å; F406-H533 HydrophobicContact CE1-CB 3.94Å; F406-H533 AromaticContact CE1-CD2 3.4Å; F406-H533 VanDerWaalsContact CE1-CD2 3.4Å; F406-H533 WeakPolarHBondContact CE1-CD2 3.24Å; F406-H533 AromaticContact CE1-CG 3.6Å; F406-H533 HydrophobicContact CZ-CB 4.48Å; F406-H533 AromaticContact CZ-CD2 3.38Å; F406-H533 WeakPolarHBondContact CZ-CD2 3.33Å; F406-H533 AromaticContact CZ-CG 3.69Å; F406-H533 AromaticContact CZ-NE2 3.68Å |
| 407 | S | 98.4 | Very high | 88.8 | Confident | 12 Ų | 12 | 45.4 Ų | 45.4 | 8% | 0.084 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 144.2 | 171.3 | 69.6 | 0 | 0 | 0 | 0 | 112.4 | I419 T420 V529 | S407-I419 CarbonylContact O-C 3.4Å; S407-I419 VanDerWaalsContact O-CA 3.3Å; S407-I419 WeakPolarHBondContact O-CA 3.38Å; S407-T420 PolarHBondContact N-O 3.44Å; S407-T420 PolarHBondContact O-N 3.42Å; S407-T420 VanDerWaalsContact OG-CB 3.24Å; S407-T420 WeakPolarHBondContact OG-CB 3.19Å; S407-T420 PolarHBondContact OG-OG1 2.89Å; S407-V529 CarbonylContact C-O 3.39Å; S407-V529 WeakPolarHBondContact CA-O 3.47Å; S407-V529 WeakPolarHBondContact CB-O 3.41Å |
| 408 | L | 98.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 140.4 | 172.5 | -61.5 | 172.9 | 0 | 0 | 0 | 110.5 | F406 I419 L485 V506 H517 W518 M521 P528 V529 | F406-L408 HydrophobicContact CD2-CD2 4.15Å; F406-L408 HydrophobicContact CD2-CG 4.19Å; F406-L408 HydrophobicContact CE2-CD1 4.31Å; F406-L408 HydrophobicContact CE2-CD2 4.1Å; F406-L408 HydrophobicContact CE2-CG 4.07Å; L408-I419 HydrophobicContact CD2-CB 3.94Å; L408-I419 HydrophobicContact CD2-CD1 3.74Å; L408-I419 HydrophobicContact CD2-CG1 3.77Å; L408-L485 HydrophobicContact CD2-CD1 4.08Å; L408-V506 HydrophobicContact CD1-CG1 3.63Å; L408-H517 HydrophobicContact CD1-CB 4.41Å; L408-W518 HydrophobicContact CD1-CE3 4.24Å; L408-M521 HydrophobicContact CB-CB 3.99Å; L408-M521 HydrophobicContact CB-CG 3.77Å; L408-M521 HydrophobicContact CB-SD 3.68Å; L408-M521 HydrophobicContact CD1-CB 4.43Å; L408-M521 HydrophobicContact CD1-SD 4.32Å; L408-M521 HydrophobicContact CG-SD 4.45Å; L408-P528 WeakPolarHBondContact O-CA 3.5Å; L408-V529 HydrophobicContact CB-CG2 4.2Å; L408-V529 PolarHBondContact N-O 3.26Å; L408-V529 WeakPolarHBondContact O-CG2 3.37Å; L408-V529 PolarHBondContact O-N 3.4Å |
| 409 | C | 97.9 | Very high | 93.4 | Very high | 16 Ų | 16 | 34 Ų | 34 | 11% | 0.108 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 119.9 | 172.9 | -176.5 | 0 | 0 | 0 | 0 | 109.9 | T418 R526 P528 | C409-T418 PolarHBondContact N-O 2.92Å; C409-T418 PolarHBondContact O-N 2.85Å; C409-R526 PolarHBondContact SG-O 2.97Å; C409-P528 HydrophobicContact CB-CB 4.34Å |
| 410 | Y | 97.5 | Very high | 95.1 | Very high | 7 Ų | 7 | 33.1 Ų | 33.1 | 3% | 0.027 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 134.9 | 175.3 | -170.9 | -125.5 | 0 | 0 | 0 | 111.7 | P412 R416 L417 V475 P477 I480 L522 R526 | Y410-P412 HydrophobicContact CD1-CB 4.46Å; Y410-P412 HydrophobicContact CD1-CG 3.72Å; Y410-P412 HydrophobicContact CE1-CB 3.93Å; Y410-P412 HydrophobicContact CE1-CG 3.68Å; Y410-R416 VanDerWaalsContact CD2-O 3.26Å; Y410-R416 WeakPolarHBondContact CD2-O 3.34Å; Y410-L417 HydrophobicContact CD2-CB 4.01Å; Y410-L417 HydrophobicContact CD2-CD1 4.43Å; Y410-L417 HydrophobicContact CE2-CB 4.46Å; Y410-V475 HydrophobicContact CE2-CB 4.29Å; Y410-V475 WeakPolarHBondContact CE2-O 3.03Å; Y410-V475 PolarHBondContact OH-O 3.22Å; Y410-P477 WeakPolarHBondContact OH-CA 3.35Å; Y410-P477 WeakPolarHBondContact OH-CD 3.21Å; Y410-P477 WeakPolarHBondContact OH-CG 3.3Å; Y410-I480 HydrophobicContact CD1-CD1 4.18Å; Y410-I480 HydrophobicContact CD1-CG1 4.23Å; Y410-I480 HydrophobicContact CD2-CD1 3.97Å; Y410-I480 HydrophobicContact CE1-CB 4.48Å; Y410-I480 HydrophobicContact CE1-CD1 3.98Å; Y410-I480 HydrophobicContact CE1-CG1 3.94Å; Y410-I480 HydrophobicContact CE2-CD1 3.79Å; Y410-I480 HydrophobicContact CG-CD1 4.19Å; Y410-L522 HydrophobicContact CD1-CD2 4.16Å; Y410-R526 PolarHBondContact O-N 3.44Å |
| 411 | L | 96.8 | Very high | 96.2 | Very high | 51 Ų | 51 | 28.3 Ų | 28.3 | 27% | 0.267 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 91.2 | 174.5 | -77.1 | 70 | 0 | 0 | 0 | 108.5 | T413 A414 G415 R416 R526 | L411-T413 PolarHBondContact O-N 2.77Å; L411-A414 HydrophobicContact CB-CB 4.14Å; L411-A414 PolarHBondContact O-N 2.91Å; L411-A414 VanDerWaalsContact O-N 3.12Å; L411-G415 PolarHBondContact O-N 2.92Å; L411-G415 VanDerWaalsContact O-N 3.15Å; L411-R416 HydrophobicContact CB-CB 4.34Å; L411-R416 PolarHBondContact N-O 2.91Å; L411-R416 PolarHBondContact O-N 2.97Å; L411-R416 VanDerWaalsContact O-N 3.17Å; L411-R526 HydrophobicContact CG-CG 4.2Å |
| 412 | P | 95 | Very high | 96.7 | Very high | 46 Ų | 46 | 29.4 Ų | 29.4 | 30% | 0.299 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -55.6 | -47 | -177 | -25 | 31.5 | 0 | 0 | 0 | 113.1 | Y410 A414 G415 P477 P525 | Y410-P412 HydrophobicContact CD1-CB 4.46Å; Y410-P412 HydrophobicContact CD1-CG 3.72Å; Y410-P412 HydrophobicContact CE1-CB 3.93Å; Y410-P412 HydrophobicContact CE1-CG 3.68Å; P412-A414 PolarHBondContact O-N 2.81Å; P412-A414 VanDerWaalsContact O-N 3.1Å; P412-G415 PolarHBondContact O-N 3Å; P412-P477 HydrophobicContact CB-CG 3.98Å; P412-P477 WeakPolarHBondContact O-CG 3.31Å; P412-P525 HydrophobicContact CG-CB 4.28Å |
| 413 | T | 94.3 | Very high | 97.1 | Very high | 141 Ų | 141 | 32.4 Ų | 32.4 | 87% | 0.865 | 18% | 0.183 | S | C | * | . | G | 310 helix | trans | -60.6 | -22 | -179.1 | -40 | 0 | 0 | 0 | 0 | 114 | L411 | L411-T413 PolarHBondContact O-N 2.77Š|
| 414 | A | 94.9 | Very high | 97.3 | Very high | 49 Ų | 49 | 31.1 Ų | 31.1 | 41% | 0.405 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -109.2 | 5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L411 P412 R416 | L411-A414 HydrophobicContact CB-CB 4.14Å; L411-A414 PolarHBondContact O-N 2.91Å; L411-A414 VanDerWaalsContact O-N 3.12Å; P412-A414 PolarHBondContact O-N 2.81Å; P412-A414 VanDerWaalsContact O-N 3.1Å; A414-R416 VanDerWaalsContact C-N 3.26Å; A414-R416 HydrophobicContact CB-CB 4.19Å; A414-R416 PolarHBondContact O-N 2.86Å |
| 415 | G | 95.8 | Very high | 97 | Very high | 14 Ų | 14 | 35.8 Ų | 35.8 | 14% | 0.144 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | 44.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L411 P412 D474 V475 | L411-G415 PolarHBondContact O-N 2.92Å; L411-G415 VanDerWaalsContact O-N 3.15Å; P412-G415 PolarHBondContact O-N 3Å; G415-D474 CarbonylContact O-C 3.55Å; G415-D474 WeakPolarHBondContact O-CA 3.4Å; G415-V475 CarbonylContact C-O 3.53Å; G415-V475 WeakPolarHBondContact CA-O 3.2Å; G415-V475 CarbonylContact O-C 3.54Å; G415-V475 PolarHBondContact O-N 2.87Å |
| 416 | R | 96.6 | Very high | 96.4 | Very high | 117 Ų | 117 | 38.5 Ų | 38.5 | 44% | 0.442 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 117.1 | -164.9 | -166.9 | -178.9 | -56.7 | 167.1 | 7 | 113.2 | Y410 L411 A414 V472 | Y410-R416 VanDerWaalsContact CD2-O 3.26Å; Y410-R416 WeakPolarHBondContact CD2-O 3.34Å; L411-R416 HydrophobicContact CB-CB 4.34Å; L411-R416 PolarHBondContact N-O 2.91Å; L411-R416 PolarHBondContact O-N 2.97Å; L411-R416 VanDerWaalsContact O-N 3.17Å; A414-R416 VanDerWaalsContact C-N 3.26Å; A414-R416 HydrophobicContact CB-CB 4.19Å; A414-R416 PolarHBondContact O-N 2.86Å; R416-V472 HydrophobicContact CG-CG1 3.55Å |
| 417 | L | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 115.1 | 171.6 | 176 | 61.5 | 0 | 0 | 0 | 109.4 | Y410 F473 V475 I483 L485 W518 M521 | Y410-L417 HydrophobicContact CD2-CB 4.01Å; Y410-L417 HydrophobicContact CD2-CD1 4.43Å; Y410-L417 HydrophobicContact CE2-CB 4.46Å; L417-F473 HydrophobicContact CB-CB 4.44Å; L417-F473 PolarHBondContact N-O 2.85Å; L417-F473 PolarHBondContact O-N 2.92Å; L417-V475 HydrophobicContact CB-CB 4.43Å; L417-V475 HydrophobicContact CB-CG2 4.03Å; L417-V475 HydrophobicContact CD2-CG2 4.27Å; L417-I483 HydrophobicContact CD2-CD1 3.99Å; L417-L485 HydrophobicContact CD2-CD1 4.27Å; L417-L485 HydrophobicContact CD2-CD2 4.23Å; L417-L485 HydrophobicContact CD2-CG 4.48Å; L417-W518 HydrophobicContact CD1-CH2 4.4Å; L417-W518 HydrophobicContact CD1-CZ3 4.26Å; L417-W518 HydrophobicContact CD2-CH2 3.71Å; L417-W518 HydrophobicContact CD2-CZ3 4.04Å; L417-M521 HydrophobicContact CD1-CE 4.23Å; L417-M521 HydrophobicContact CD1-SD 3.42Å; L417-M521 WeakPolarHBondContact CD1-SD 3.41Å |
| 418 | T | 98.1 | Very high | 95.4 | Very high | 29 Ų | 29 | 41.8 Ų | 41.8 | 18% | 0.178 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 128.7 | 173.6 | -56.7 | 0 | 0 | 0 | 0 | 109.1 | C409 A470 V472 | C409-T418 PolarHBondContact N-O 2.92Å; C409-T418 PolarHBondContact O-N 2.85Å; T418-A470 HydrophobicContact CG2-CB 4.4Å; T418-V472 HydrophobicContact CG2-CG2 4.31Å |
| 419 | I | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 118.8 | 170.8 | -179.4 | 172.4 | 0 | 0 | 0 | 109.5 | F406 S407 L408 M421 V442 I471 F473 L485 I487 | F406-I419 HydrophobicContact CB-CG1 4.42Å; F406-I419 HydrophobicContact CD2-CD1 3.7Å; F406-I419 HydrophobicContact CD2-CG1 3.98Å; F406-I419 HydrophobicContact CE2-CD1 4.12Å; F406-I419 HydrophobicContact CG-CD1 4.26Å; F406-I419 HydrophobicContact CG-CG1 4.49Å; S407-I419 CarbonylContact O-C 3.4Å; S407-I419 VanDerWaalsContact O-CA 3.3Å; S407-I419 WeakPolarHBondContact O-CA 3.38Å; L408-I419 HydrophobicContact CD2-CB 3.94Å; L408-I419 HydrophobicContact CD2-CD1 3.74Å; L408-I419 HydrophobicContact CD2-CG1 3.77Å; I419-M421 HydrophobicContact CD1-CE 3.39Å; I419-M421 HydrophobicContact CG1-CE 3.52Å; I419-V442 HydrophobicContact CG2-CG1 4.29Å; I419-I471 HydrophobicContact CG2-CB 3.96Å; I419-I471 HydrophobicContact CG2-CG2 4.11Å; I419-I471 PolarHBondContact N-O 3.01Å; I419-I471 PolarHBondContact O-N 2.89Å; I419-F473 HydrophobicContact CG2-CD2 4.38Å; I419-F473 HydrophobicContact CG2-CE2 4.09Å; I419-L485 HydrophobicContact CB-CD1 4.42Å; I419-L485 HydrophobicContact CD1-CD1 3.74Å; I419-L485 HydrophobicContact CG2-CD1 4.4Å; I419-I487 HydrophobicContact CD1-CD1 3.59Å; I419-I487 HydrophobicContact CD1-CG1 4.26Å |
| 420 | T | 98.6 | Very high | 94 | Very high | 37 Ų | 37 | 44.7 Ų | 44.7 | 23% | 0.227 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 114.5 | 179.1 | -43.8 | 0 | 0 | 0 | 0 | 109.1 | F406 S407 I422 | F406-T420 CarbonylContact C-O 3.5Å; F406-T420 WeakPolarHBondContact CA-O 3.23Å; F406-T420 WeakPolarHBondContact CB-O 3.15Å; S407-T420 PolarHBondContact N-O 3.44Å; S407-T420 PolarHBondContact O-N 3.42Å; S407-T420 VanDerWaalsContact OG-CB 3.24Å; S407-T420 WeakPolarHBondContact OG-CB 3.19Å; S407-T420 PolarHBondContact OG-OG1 2.89Å; T420-I422 HydrophobicContact CG2-CG1 4.45Å; T420-I422 PolarHBondContact O-N 2.92Å |
| 421 | M | 98.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 114.5 | 168 | -66.3 | -68 | 108 | 0 | 0 | 107.8 | L404 F406 I419 V440 V442 T456 Y467 N468 E469 I471 I487 | L404-M421 HydrophobicContact CD1-SD 4.47Å; L404-M421 HydrophobicContact CD2-SD 4.13Å; F406-M421 HydrophobicContact CB-CE 3.43Å; F406-M421 VanDerWaalsContact CB-CE 3.43Å; F406-M421 HydrophobicContact CB-SD 4.39Å; F406-M421 HydrophobicContact CD1-CE 4.26Å; F406-M421 HydrophobicContact CD2-CE 4.41Å; F406-M421 HydrophobicContact CG-CE 3.81Å; I419-M421 HydrophobicContact CD1-CE 3.39Å; I419-M421 HydrophobicContact CG1-CE 3.52Å; M421-V440 HydrophobicContact CG-CB 4.26Å; M421-V440 HydrophobicContact CG-CG2 4.46Å; M421-V440 HydrophobicContact SD-CB 3.84Å; M421-V440 HydrophobicContact SD-CG1 3.56Å; M421-V440 VanDerWaalsContact SD-CG1 3.56Å; M421-V440 HydrophobicContact SD-CG2 3.98Å; M421-V442 HydrophobicContact CE-CG2 4.06Å; M421-V442 HydrophobicContact SD-CG2 4.36Å; M421-T456 HydrophobicContact CB-CG2 3.85Å; M421-T456 HydrophobicContact CG-CG2 3.65Å; M421-Y467 HydrophobicContact CB-CG 4.34Å; M421-Y467 WeakPolarHBondContact O-CB 3.46Å; M421-N468 CarbonylContact O-C 3.58Å; M421-N468 VanDerWaalsContact O-CA 3.25Å; M421-N468 WeakPolarHBondContact O-CA 3.45Å; M421-N468 PolarHBondContact O-N 3.05Å; M421-E469 PolarHBondContact N-O 2.82Å; M421-E469 PolarHBondContact O-N 3.07Å; M421-I471 HydrophobicContact CG-CD1 4.38Å; M421-I487 HydrophobicContact CE-CD1 4.47Å; M421-I487 HydrophobicContact CE-CG2 4.31Å; M421-I487 HydrophobicContact SD-CG2 4.33Å |
| 422 | I | 98.1 | Very high | 91.3 | Very high | 33 Ų | 33 | 50.3 Ų | 50.3 | 17% | 0.169 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | -65.6 | -175.5 | -54.8 | 170 | 0 | 0 | 0 | 109 | M405 T420 Y467 N468 A530 | M405-I422 HydrophobicContact CE-CB 3.87Å; M405-I422 HydrophobicContact CE-CD1 3.8Å; M405-I422 HydrophobicContact CE-CG1 4.44Å; M405-I422 HydrophobicContact CE-CG2 3.46Å; M405-I422 VanDerWaalsContact CE-CG2 3.46Å; M405-I422 WeakPolarHBondContact O-CB 3.4Å; M405-I422 PolarHBondContact O-N 2.84Å; T420-I422 HydrophobicContact CG2-CG1 4.45Å; T420-I422 PolarHBondContact O-N 2.92Å; I422-Y467 PolarHBondContact O-N 2.72Å; I422-N468 WeakPolarHBondContact CG2-OD1 3.25Å; I422-N468 PolarHBondContact O-N 3.48Å; I422-N468 VanDerWaalsContact O-N 3.1Å; I422-A530 HydrophobicContact CD1-CB 4.3Å |
| 423 | Q | 97.8 | Very high | 90.1 | Very high | 63 Ų | 63 | 51 Ų | 51 | 29% | 0.294 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 164.6 | -178.3 | 62.5 | -173.6 | -5 | 0 | 0 | 111.2 | M405 P465 V466 W532 | M405-Q423 WeakPolarHBondContact CA-O 3.42Å; M405-Q423 HydrophobicContact CB-CG 3.97Å; M405-Q423 HydrophobicContact CE-CG 4.14Å; M405-Q423 PolarHBondContact N-O 3.49Å; M405-Q423 PolarHBondContact O-N 2.89Å; Q423-P465 CarbonylContact C-O 3.48Å; Q423-P465 WeakPolarHBondContact CA-O 3.48Å; Q423-V466 HydrophobicContact CB-CG2 4.12Å; Q423-W532 HydrophobicContact CG-CH2 3.77Å; Q423-W532 HydrophobicContact CG-CZ2 4.33Å; Q423-W532 HydrophobicContact CG-CZ3 4.41Å; Q423-W532 VanDerWaalsContact NE2-CZ2 3.35Å |
| 424 | A | 97.7 | Very high | 88.9 | Confident | 3 Ų | 3 | 46 Ų | 46 | 3% | 0.025 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 161.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | D403 L404 L427 N464 P465 | D403-A424 CarbonylContact O-C 3.57Å; D403-A424 WeakPolarHBondContact O-CA 3.49Å; D403-A424 VanDerWaalsContact O-CB 3.31Å; D403-A424 WeakPolarHBondContact O-CB 3.22Å; L404-A424 HydrophobicContact CD1-CB 3.87Å; A424-L427 HydrophobicContact CB-CD1 4.01Å; A424-L427 HydrophobicContact CB-CD2 3.83Å; A424-L427 HydrophobicContact CB-CG 3.95Å; A424-N464 CarbonylContact O-C 3.53Å; A424-N464 VanDerWaalsContact O-CA 3.28Å; A424-N464 WeakPolarHBondContact O-CA 3.3Å; A424-P465 HydrophobicContact CB-CG 3.87Å; A424-P465 PolarHBondContact N-O 2.64Å |
| 425 | R | 89.9 | Confident | 88.2 | Confident | 99 Ų | 99 | 44.1 Ų | 44.1 | 37% | 0.374 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 158.3 | 176 | 70.3 | -177 | -178.7 | -165.5 | -1.3 | 111.5 | G402 D403 L427 L463 N464 W532 | G402-R425 CarbonylContact C-O 3.04Å; G402-R425 WeakPolarHBondContact CA-O 3.37Å; D403-R425 HydrophobicContact CB-CG 4.05Å; D403-R425 PolarHBondContact N-O 3.34Å; D403-R425 PolarHBondContact O-N 2.89Å; D403-R425 IonicContact OD2-CZ 2.75Å; D403-R425 IonicContact OD2-NE 3.71Å; D403-R425 PolarHBondContact OD2-NE 2.8Å; D403-R425 IonicContact OD2-NH2 3.72Å; D403-R425 PolarHBondContact OD2-NH2 2.86Å; R425-L427 PolarHBondContact O-N 2.99Å; R425-L463 CarbonylContact C-O 3.49Å; R425-N464 WeakPolarHBondContact CA-OD1 3.39Å; R425-N464 WeakPolarHBondContact CB-OD1 3.38Å; R425-W532 HydrophobicContact CB-CH2 4.13Å; R425-W532 HydrophobicContact CB-CZ3 4.2Å; R425-W532 HydrophobicContact CG-CE3 4.41Å; R425-W532 HydrophobicContact CG-CH2 3.84Å; R425-W532 HydrophobicContact CG-CZ3 3.63Å |
| 426 | N | 86.5 | Confident | 87.9 | Confident | 92 Ų | 92 | 43.4 Ų | 43.4 | 49% | 0.492 | 23% | 0.226 | S | C | . | . | S | Bend | trans | 52.1 | 26.7 | 176.9 | -65.8 | 6.1 | 0 | 0 | 0 | 114.5 | G402 K428 L463 N464 | G402-N426 VanDerWaalsContact CA-O 3.27Å; G402-N426 WeakPolarHBondContact CA-O 3.41Å; G402-N426 PolarHBondContact N-O 2.92Å; N426-K428 PolarHBondContact O-N 2.66Å; N426-L463 PolarHBondContact N-O 2.68Å; N426-N464 PolarHBondContact N-OD1 3.31Å |
| 427 | L | 90.4 | Very high | 87.8 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -56.8 | 143.3 | -177.7 | -67 | -177.5 | 0 | 0 | 0 | 111 | L401 A424 R425 A429 P438 L463 P465 V489 I501 L535 | L401-L427 WeakPolarHBondContact O-CA 3.4Å; A424-L427 HydrophobicContact CB-CD1 4.01Å; A424-L427 HydrophobicContact CB-CD2 3.83Å; A424-L427 HydrophobicContact CB-CG 3.95Å; R425-L427 PolarHBondContact O-N 2.99Å; L427-A429 PolarHBondContact O-N 3.49Å; L427-P438 HydrophobicContact CD1-CB 3.74Å; L427-P438 HydrophobicContact CD1-CG 4.01Å; L427-L463 HydrophobicContact CB-CB 4.35Å; L427-L463 WeakPolarHBondContact CB-O 3.31Å; L427-L463 WeakPolarHBondContact CG-O 3.44Å; L427-L463 PolarHBondContact N-O 2.61Å; L427-L463 WeakPolarHBondContact O-CD2 3.13Å; L427-P465 HydrophobicContact CD1-CG 3.64Å; L427-V489 HydrophobicContact CD1-CG1 3.92Å; L427-V489 HydrophobicContact CD2-CG1 4.09Å; L427-I501 HydrophobicContact CB-CG2 4.44Å; L427-I501 HydrophobicContact CD2-CG2 4.25Å; L427-L535 HydrophobicContact CD2-CD1 3.5Å |
| 428 | K | 85.9 | Confident | 87.8 | Confident | 79 Ų | 79 | 38.1 Ų | 38.1 | 34% | 0.343 | 21% | 0.206 | S | C | . | . | P | Polyproline II helix | trans | -61.4 | 125.5 | 173.2 | 174.6 | 174 | 174.9 | -179.7 | 0 | 110.7 | V399 L401 N426 M430 S436 I501 | V399-K428 HydrophobicContact CG1-CD 4.25Å; L401-K428 HydrophobicContact CD2-CB 4.22Å; L401-K428 HydrophobicContact CD2-CD 3.52Å; L401-K428 PolarHBondContact O-N 2.81Å; N426-K428 PolarHBondContact O-N 2.66Å; K428-M430 HydrophobicContact CD-SD 3.95Å; K428-M430 HydrophobicContact CG-SD 3.9Å; K428-M430 PolarHBondContact O-N 3.31Å; K428-S436 PolarHBondContact O-OG 3.16Å; K428-I501 HydrophobicContact CB-CG2 4.27Å |
| 429 | A | 84.3 | Confident | 87.8 | Confident | 23 Ų | 23 | 37.4 Ų | 37.4 | 19% | 0.19 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -64.9 | 126.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | L427 G434 A435 L463 | L427-A429 PolarHBondContact O-N 3.49Å; A429-G434 WeakPolarHBondContact CB-O 3.14Å; A429-A435 WeakPolarHBondContact CA-O 3.27Å; A429-L463 HydrophobicContact CB-CD1 4.11Å; A429-L463 HydrophobicContact CB-CD2 4.09Å |
| 430 | M | 81.6 | Confident | 87.8 | Confident | 53 Ų | 53 | 37.4 Ų | 37.4 | 26% | 0.261 | 20% | 0.2 | S | C | . | . | trans | -115.9 | -37.2 | -178.9 | -64.6 | -60.5 | -62.3 | 0 | 0 | 111.1 | K428 A435 S436 D491 E499 I501 | K428-M430 HydrophobicContact CD-SD 3.95Å; K428-M430 HydrophobicContact CG-SD 3.9Å; K428-M430 PolarHBondContact O-N 3.31Å; M430-A435 PolarHBondContact N-O 2.89Å; M430-S436 PolarHBondContact N-OG 3.36Å; M430-S436 VanDerWaalsContact N-OG 3.14Å; M430-D491 HydrophobicContact CB-CB 4.34Å; M430-D491 WeakPolarHBondContact CB-OD2 3.47Å; M430-E499 HydrophobicContact CE-CB 3.93Å; M430-E499 HydrophobicContact CE-CG 4.44Å; M430-E499 WeakPolarHBondContact CE-OE2 3.41Å; M430-I501 HydrophobicContact CG-CG1 3.75Å | ||
| 431 | D | 73.8 | Confident | 87.8 | Confident | 47 Ų | 47 | 38.4 Ų | 38.4 | 25% | 0.251 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -64 | 148.8 | 174 | -93.6 | -54.1 | 0 | 0 | 0 | 112.6 | T433 G434 A435 | D431-T433 HydrophobicContact CB-CG2 4.35Å; D431-T433 VanDerWaalsContact CB-OG1 3.26Å; D431-T433 WeakPolarHBondContact CB-OG1 3.49Å; D431-T433 PolarHBondContact O-N 2.84Å; D431-G434 PolarHBondContact O-N 3.26Å; D431-G434 VanDerWaalsContact O-N 3.09Å; D431-A435 WeakPolarHBondContact CB-O 3.49Å; D431-A435 PolarHBondContact N-O 2.86Å |
| 432 | I | 64.3 | Low | 87.8 | Confident | 129 Ų | 129 | 38.4 Ų | 38.4 | 66% | 0.662 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -11 | 167.8 | 60.2 | 170.1 | 0 | 0 | 0 | 113.8 | G434 | I432-G434 VanDerWaalsContact C-N 3.27Š|
| 433 | T | 68.4 | Low | 87.7 | Confident | 62 Ų | 62 | 37 Ų | 37 | 38% | 0.38 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -19.5 | 175 | 61.9 | 0 | 0 | 0 | 0 | 112.8 | K317 D431 A435 N461 | K317-T433 WeakPolarHBondContact CE-O 3.43Å; D431-T433 HydrophobicContact CB-CG2 4.35Å; D431-T433 VanDerWaalsContact CB-OG1 3.26Å; D431-T433 WeakPolarHBondContact CB-OG1 3.49Å; D431-T433 PolarHBondContact O-N 2.84Å; T433-A435 PolarHBondContact OG1-N 3.27Å; T433-A435 VanDerWaalsContact OG1-N 3.17Å; T433-N461 PolarHBondContact OG1-OD1 3.2Å |
| 434 | G | 69.9 | Low | 87.7 | Confident | 36 Ų | 36 | 34.4 Ų | 34.4 | 37% | 0.371 | 18% | 0.183 | S | C | . | . | S | Bend | trans | 87.8 | 12.1 | -166.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A429 D431 I432 | A429-G434 WeakPolarHBondContact CB-O 3.14Å; D431-G434 PolarHBondContact O-N 3.26Å; D431-G434 VanDerWaalsContact O-N 3.09Å; I432-G434 VanDerWaalsContact C-N 3.27Å |
| 435 | A | 80.3 | Confident | 87.5 | Confident | 8 Ų | 8 | 35 Ų | 35 | 7% | 0.066 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -126 | -155.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | A429 M430 D431 T433 N461 | A429-A435 WeakPolarHBondContact CA-O 3.27Å; M430-A435 PolarHBondContact N-O 2.89Å; D431-A435 WeakPolarHBondContact CB-O 3.49Å; D431-A435 PolarHBondContact N-O 2.86Å; T433-A435 PolarHBondContact OG1-N 3.27Å; T433-A435 VanDerWaalsContact OG1-N 3.17Å; A435-N461 HydrophobicContact CB-CB 4.39Å |
| 436 | S | 89.9 | Confident | 87.6 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -152.1 | 162.2 | 169.2 | -51.1 | 0 | 0 | 0 | 0 | 108.5 | K428 M430 P438 N461 T462 D491 | K428-S436 PolarHBondContact O-OG 3.16Å; M430-S436 PolarHBondContact N-OG 3.36Å; M430-S436 VanDerWaalsContact N-OG 3.14Å; S436-P438 WeakPolarHBondContact O-CD 3.48Å; S436-N461 CarbonylContact O-C 3.51Å; S436-N461 WeakPolarHBondContact O-CA 3.2Å; S436-N461 PolarHBondContact O-N 3.38Å; S436-T462 PolarHBondContact O-N 3.21Å; S436-D491 WeakPolarHBondContact CB-OD1 3.45Å | ||
| 437 | D | 94.3 | Very high | 87.6 | Confident | 6 Ų | 6 | 34.6 Ų | 34.6 | 3% | 0.032 | 19% | 0.186 | C | C | . | . | trans | -102 | 70.5 | 165.7 | -87.6 | 7.7 | 0 | 0 | 0 | 109.7 | T458 K459 R460 N461 D491 Y492 | D437-T458 HydrophobicContact CB-CG2 4.08Å; D437-T458 VanDerWaalsContact O-CG2 3.3Å; D437-T458 WeakPolarHBondContact O-CG2 3.47Å; D437-K459 CarbonylContact C-O 3.46Å; D437-K459 WeakPolarHBondContact CA-O 3.45Å; D437-R460 WeakPolarHBondContact OD1-CA 3.4Å; D437-R460 VanDerWaalsContact OD1-CB 3.29Å; D437-R460 WeakPolarHBondContact OD1-CB 3.46Å; D437-R460 WeakPolarHBondContact OD2-CG 3.05Å; D437-R460 IonicContact OD2-NE 2.72Å; D437-N461 PolarHBondContact OD1-N 3.33Å; D437-D491 WeakPolarHBondContact CA-OD1 3.36Å; D437-D491 PolarHBondContact N-OD1 3.46Å; D437-Y492 HydrophobicContact CB-CD1 4.49Å; D437-Y492 VanDerWaalsContact O-CB 3.25Å; D437-Y492 WeakPolarHBondContact O-CB 3.44Å; D437-Y492 PolarHBondContact O-N 3.13Å; D437-Y492 VanDerWaalsContact O-N 3.1Å | ||
| 438 | P | 97.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -73.6 | 144.3 | -167.4 | 31.6 | -39.7 | 0 | 0 | 0 | 115.3 | L427 S436 K459 T462 P465 Y467 V489 M490 I501 | L427-P438 HydrophobicContact CD1-CB 3.74Å; L427-P438 HydrophobicContact CD1-CG 4.01Å; S436-P438 WeakPolarHBondContact O-CD 3.48Å; P438-K459 VanDerWaalsContact CD-O 3.31Å; P438-K459 WeakPolarHBondContact CD-O 3.47Å; P438-K459 VanDerWaalsContact N-O 3.16Å; P438-K459 PolarHBondContact O-N 2.92Å; P438-T462 WeakPolarHBondContact CD-O 3.47Å; P438-T462 HydrophobicContact CG-CG2 4.15Å; P438-T462 WeakPolarHBondContact CG-O 3.32Å; P438-P465 HydrophobicContact CB-CG 4.27Å; P438-P465 HydrophobicContact CG-CB 3.83Å; P438-P465 HydrophobicContact CG-CG 3.68Å; P438-Y467 PolarHBondContact O-OH 3.41Å; P438-V489 HydrophobicContact CB-CG1 4.37Å; P438-M490 CarbonylContact C-O 3.59Å; P438-M490 WeakPolarHBondContact CA-O 3.11Å; P438-I501 HydrophobicContact CB-CD1 4.2Å | ||
| 439 | Y | 98.1 | Very high | 87.3 | Confident | 13 Ų | 13 | 38.3 Ų | 38.3 | 5% | 0.051 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 152.1 | 163.9 | 73.2 | -83.5 | 0 | 0 | 0 | 111.2 | K441 K455 M490 D491 | Y439-K441 HydrophobicContact CE2-CB 4.33Å; Y439-K441 PolarHBondContact OH-NZ 2.75Å; Y439-K455 HydrophobicContact CD2-CB 4.1Å; Y439-K455 HydrophobicContact CD2-CD 4.04Å; Y439-K455 HydrophobicContact CE2-CB 4.34Å; Y439-K455 HydrophobicContact CE2-CD 4.06Å; Y439-M490 HydrophobicContact CD1-CB 3.8Å; Y439-M490 HydrophobicContact CD2-CB 4.18Å; Y439-M490 HydrophobicContact CD2-CG 4.41Å; Y439-M490 HydrophobicContact CE1-CB 3.35Å; Y439-M490 HydrophobicContact CE1-CG 4.23Å; Y439-M490 HydrophobicContact CE2-CB 3.76Å; Y439-M490 HydrophobicContact CE2-CG 3.78Å; Y439-M490 HydrophobicContact CG-CB 4.19Å; Y439-M490 PolarHBondContact N-O 3.36Å; Y439-M490 WeakPolarHBondContact O-CB 3.22Å; Y439-M490 PolarHBondContact O-N 2.88Å; Y439-D491 WeakPolarHBondContact CE1-O 3.36Å |
| 440 | V | 98.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 138.5 | 176.9 | -160 | 0 | 0 | 0 | 0 | 111 | L404 M421 K455 T456 Y467 I487 A488 V489 | L404-V440 HydrophobicContact CD1-CG2 4.03Å; L404-V440 HydrophobicContact CD2-CG1 4.08Å; M421-V440 HydrophobicContact CG-CB 4.26Å; M421-V440 HydrophobicContact CG-CG2 4.46Å; M421-V440 HydrophobicContact SD-CB 3.84Å; M421-V440 HydrophobicContact SD-CG1 3.56Å; M421-V440 VanDerWaalsContact SD-CG1 3.56Å; M421-V440 HydrophobicContact SD-CG2 3.98Å; V440-K455 CarbonylContact O-C 3.38Å; V440-K455 WeakPolarHBondContact O-CA 3.29Å; V440-K455 WeakPolarHBondContact O-CB 3.17Å; V440-T456 HydrophobicContact CB-CG2 4.04Å; V440-T456 HydrophobicContact CG2-CG2 4.38Å; V440-T456 PolarHBondContact N-OG1 3.07Å; V440-T456 PolarHBondContact O-N 3.06Å; V440-Y467 HydrophobicContact CG2-CD2 4.23Å; V440-Y467 HydrophobicContact CG2-CE1 4.17Å; V440-Y467 HydrophobicContact CG2-CE2 3.64Å; V440-I487 HydrophobicContact CG1-CG2 3.51Å; V440-A488 CarbonylContact C-O 3.57Å; V440-A488 WeakPolarHBondContact CA-O 3.47Å; V440-V489 HydrophobicContact CG1-CG2 4.4Å; V440-V489 HydrophobicContact CG2-CG2 4.36Å |
| 441 | K | 98.1 | Very high | 88.3 | Confident | 58 Ų | 58 | 47 Ų | 47 | 25% | 0.252 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 109 | 177.1 | 178.8 | -172.9 | -68.6 | 146.2 | 0 | 108.9 | Y439 R454 A488 M490 | Y439-K441 HydrophobicContact CE2-CB 4.33Å; Y439-K441 PolarHBondContact OH-NZ 2.75Å; K441-R454 CarbonylContact C-O 3.56Å; K441-R454 WeakPolarHBondContact CA-O 3.42Å; K441-A488 PolarHBondContact N-O 3.22Å; K441-A488 PolarHBondContact O-N 2.93Å; K441-M490 HydrophobicContact CB-CG 3.97Å; K441-M490 HydrophobicContact CD-SD 4.37Å; K441-M490 PolarHBondContact NZ-SD 3Å |
| 442 | V | 98 | Very high | 89.3 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 125 | 176.4 | -172.8 | 0 | 0 | 0 | 0 | 109.6 | I419 M421 K453 R454 I471 F473 L485 I487 | I419-V442 HydrophobicContact CG2-CG1 4.29Å; M421-V442 HydrophobicContact CE-CG2 4.06Å; M421-V442 HydrophobicContact SD-CG2 4.36Å; V442-K453 WeakPolarHBondContact O-CA 3.41Å; V442-R454 PolarHBondContact N-O 3.04Å; V442-R454 PolarHBondContact O-N 3.13Å; V442-I471 HydrophobicContact CB-CD1 4.31Å; V442-I471 HydrophobicContact CG2-CD1 3.77Å; V442-F473 HydrophobicContact CB-CE2 4.29Å; V442-F473 HydrophobicContact CB-CZ 4.22Å; V442-F473 HydrophobicContact CG1-CE2 3.65Å; V442-F473 HydrophobicContact CG1-CZ 3.86Å; V442-L485 HydrophobicContact CG1-CD2 4.24Å; V442-I487 HydrophobicContact CG1-CG1 4.3Å; V442-I487 HydrophobicContact CG2-CG1 4.48Å; V442-I487 HydrophobicContact CG2-CG2 4.39Å |
| 443 | S | 97.4 | Very high | 90.8 | Very high | 5 Ų | 5 | 47.9 Ų | 47.9 | 4% | 0.035 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 117.7 | 176.9 | -61.4 | 0 | 0 | 0 | 0 | 110 | R450 L485 L486 | S443-R450 WeakPolarHBondContact OG-CD 3.39Å; S443-L485 WeakPolarHBondContact O-CA 3.48Å; S443-L486 PolarHBondContact N-O 3.46Å; S443-L486 PolarHBondContact O-N 3.06Å |
| 444 | L | 96.5 | Very high | 92.2 | Very high | 8 Ų | 8 | 50.8 Ų | 50.8 | 4% | 0.042 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 122.2 | 167.5 | 179.1 | 66.1 | 0 | 0 | 0 | 109 | R450 L451 K452 F473 V475 I483 L485 | L444-R450 CarbonylContact O-C 3.51Å; L444-L451 HydrophobicContact CD2-CB 4.44Å; L444-L451 HydrophobicContact CG-CB 4.47Å; L444-L451 PolarHBondContact O-N 2.67Å; L444-K452 HydrophobicContact CB-CB 4.14Å; L444-K452 HydrophobicContact CD2-CB 4.2Å; L444-K452 PolarHBondContact N-O 2.95Å; L444-K452 PolarHBondContact O-N 2.88Å; L444-F473 HydrophobicContact CB-CD1 3.88Å; L444-F473 HydrophobicContact CB-CE1 3.84Å; L444-F473 HydrophobicContact CB-CG 4.45Å; L444-F473 HydrophobicContact CB-CZ 4.39Å; L444-F473 HydrophobicContact CD2-CB 4.33Å; L444-F473 HydrophobicContact CD2-CD1 4.02Å; L444-F473 HydrophobicContact CD2-CG 4.39Å; L444-V475 HydrophobicContact CD2-CG2 4.39Å; L444-I483 HydrophobicContact CD1-CB 3.94Å; L444-I483 HydrophobicContact CD1-CD1 3.56Å; L444-I483 HydrophobicContact CD1-CG1 4.38Å; L444-I483 HydrophobicContact CD1-CG2 4.14Å; L444-L485 HydrophobicContact CB-CD2 4.4Å; L444-L485 HydrophobicContact CD1-CD2 3.86Å |
| 445 | M | 94.9 | Very high | 93.6 | Very high | 15 Ų | 15 | 55.3 Ų | 55.3 | 7% | 0.074 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 150.6 | -178.7 | -50.7 | -60.8 | -66.3 | 0 | 0 | 109.7 | G448 R449 R450 I483 S484 L486 | M445-G448 WeakPolarHBondContact CE-O 3.48Å; M445-R449 CarbonylContact C-O 3.47Å; M445-R449 VanDerWaalsContact CA-O 3.27Å; M445-R449 WeakPolarHBondContact CA-O 3.44Å; M445-R450 HydrophobicContact CE-CB 3.96Å; M445-R450 HydrophobicContact SD-CB 3.59Å; M445-R450 VanDerWaalsContact SD-CB 3.59Å; M445-R450 HydrophobicContact SD-CG 3.83Å; M445-I483 WeakPolarHBondContact O-CA 3.24Å; M445-I483 WeakPolarHBondContact O-CB 3.31Å; M445-S484 WeakPolarHBondContact CB-O 3.38Å; M445-S484 PolarHBondContact N-O 3.45Å; M445-S484 PolarHBondContact O-N 3.38Å; M445-L486 HydrophobicContact CG-CB 3.95Å; M445-L486 HydrophobicContact SD-CB 4.32Å |
| 446 | C | 91.8 | Very high | 94.4 | Very high | 20 Ų | 20 | 55.2 Ų | 55.2 | 14% | 0.135 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 130.3 | 168.2 | -177.6 | 0 | 0 | 0 | 0 | 107.5 | G448 R449 L451 I483 | C446-G448 PolarHBondContact O-N 2.87Å; C446-G448 VanDerWaalsContact O-N 3.12Å; C446-R449 PolarHBondContact N-O 2.8Å; C446-R449 WeakPolarHBondContact O-CA 3.23Å; C446-R449 WeakPolarHBondContact O-CB 3.33Å; C446-R449 PolarHBondContact O-N 2.82Å; C446-L451 HydrophobicContact CB-CD1 3.59Å; C446-L451 HydrophobicContact CB-CD2 4.35Å; C446-L451 HydrophobicContact CB-CG 3.93Å; C446-I483 HydrophobicContact CB-CG2 4.18Å |
| 447 | E | 85.9 | Confident | 94.8 | Very high | 162 Ų | 162 | 57.8 Ų | 57.8 | 76% | 0.757 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.5 | 41.6 | -176.4 | -58.6 | -175.9 | 145.2 | 0 | 0 | 113.4 | R449 | E447-R449 PolarHBondContact O-N 2.85Š|
| 448 | G | 81.9 | Confident | 94.9 | Very high | 59 Ų | 59 | 59.5 Ų | 59.5 | 61% | 0.608 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.2 | -8.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116 | M445 C446 | M445-G448 WeakPolarHBondContact CE-O 3.48Å; C446-G448 PolarHBondContact O-N 2.87Å; C446-G448 VanDerWaalsContact O-N 3.12Å |
| 449 | R | 88.6 | Confident | 94.9 | Very high | 101 Ų | 101 | 61.8 Ų | 61.8 | 38% | 0.381 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 136.8 | 177.5 | -61.8 | 175.3 | 171.4 | -161.7 | -4.6 | 111 | M445 C446 E447 L451 Q546 G548 C550 | M445-R449 CarbonylContact C-O 3.47Å; M445-R449 VanDerWaalsContact CA-O 3.27Å; M445-R449 WeakPolarHBondContact CA-O 3.44Å; C446-R449 PolarHBondContact N-O 2.8Å; C446-R449 WeakPolarHBondContact O-CA 3.23Å; C446-R449 WeakPolarHBondContact O-CB 3.33Å; C446-R449 PolarHBondContact O-N 2.82Å; E447-R449 PolarHBondContact O-N 2.85Å; R449-L451 PolarHBondContact O-N 2.6Å; R449-Q546 PolarHBondContact NH2-O 3.49Å; R449-G548 VanDerWaalsContact CZ-O 3.32Å; R449-G548 PolarHBondContact NH1-O 2.89Å; R449-G548 PolarHBondContact NH2-O 2.96Å; R449-C550 PolarHBondContact NH1-SG 3.33Å; R449-C550 VanDerWaalsContact NH1-SG 3.4Å |
| 450 | R | 93.6 | Very high | 94.7 | Very high | 148 Ų | 148 | 69 Ų | 69 | 56% | 0.558 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 109.5 | 178.9 | -176.2 | 174.9 | 59.7 | -151 | -11.3 | 111.7 | S443 L444 M445 | S443-R450 WeakPolarHBondContact OG-CD 3.39Å; L444-R450 CarbonylContact O-C 3.51Å; M445-R450 HydrophobicContact CE-CB 3.96Å; M445-R450 HydrophobicContact SD-CB 3.59Å; M445-R450 VanDerWaalsContact SD-CB 3.59Å; M445-R450 HydrophobicContact SD-CG 3.83Å |
| 451 | L | 93.5 | Very high | 94.3 | Very high | 111 Ų | 111 | 73.8 Ų | 73.8 | 58% | 0.581 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.4 | -50.5 | 179.4 | -59 | -175.9 | 0 | 0 | 0 | 113.1 | L444 C446 R449 | L444-L451 HydrophobicContact CD2-CB 4.44Å; L444-L451 HydrophobicContact CG-CB 4.47Å; L444-L451 PolarHBondContact O-N 2.67Å; C446-L451 HydrophobicContact CB-CD1 3.59Å; C446-L451 HydrophobicContact CB-CD2 4.35Å; C446-L451 HydrophobicContact CB-CG 3.93Å; R449-L451 PolarHBondContact O-N 2.6Å |
| 452 | K | 94.9 | Very high | 93.9 | Very high | 62 Ų | 62 | 72.8 Ų | 72.8 | 27% | 0.27 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 139.6 | -168.9 | -162.4 | 159.9 | 172.5 | 170.8 | 0 | 109.6 | L444 F473 D474 | L444-K452 HydrophobicContact CB-CB 4.14Å; L444-K452 HydrophobicContact CD2-CB 4.2Å; L444-K452 PolarHBondContact N-O 2.95Å; L444-K452 PolarHBondContact O-N 2.88Å; K452-F473 HydrophobicContact CB-CD1 4.09Å; K452-F473 HydrophobicContact CB-CE1 4.03Å; K452-F473 HydrophobicContact CD-CD1 4.06Å; K452-F473 HydrophobicContact CG-CD1 4Å; K452-F473 HydrophobicContact CG-CE1 4.01Å; K452-D474 IonicContact NZ-OD2 2.74Å; K452-D474 PolarHBondContact NZ-OD2 3.26Å |
| 453 | K | 96.1 | Very high | 93.6 | Very high | 131 Ų | 131 | 74.9 Ų | 74.9 | 57% | 0.57 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 144.2 | 178.1 | 69.8 | -175.4 | -179.1 | -176.7 | 0 | 111.6 | V442 | V442-K453 WeakPolarHBondContact O-CA 3.41Å |
| 454 | R | 98 | Very high | 93.4 | Very high | 124 Ų | 124 | 79 Ų | 79 | 47% | 0.468 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 162.8 | 175 | -67.2 | -65 | -178.5 | -104 | 13.9 | 109.2 | K441 V442 I471 F473 | K441-R454 CarbonylContact C-O 3.56Å; K441-R454 WeakPolarHBondContact CA-O 3.42Å; V442-R454 PolarHBondContact N-O 3.04Å; V442-R454 PolarHBondContact O-N 3.13Å; R454-I471 HydrophobicContact CB-CD1 4.23Å; R454-I471 HydrophobicContact CB-CG1 4.43Å; R454-I471 HydrophobicContact CB-CG2 3.56Å; R454-I471 HydrophobicContact CG-CG2 3.85Å; R454-F473 HydrophobicContact CB-CZ 4.21Å; R454-F473 HydrophobicContact CG-CE1 4.02Å; R454-F473 HydrophobicContact CG-CZ 4.05Å |
| 455 | K | 97.3 | Very high | 93.4 | Very high | 131 Ų | 131 | 78.7 Ų | 78.7 | 57% | 0.57 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 156.9 | 175.3 | 66.5 | 161 | -170.7 | 162.5 | 0 | 111.2 | Y439 V440 | Y439-K455 HydrophobicContact CD2-CB 4.1Å; Y439-K455 HydrophobicContact CD2-CD 4.04Å; Y439-K455 HydrophobicContact CE2-CB 4.34Å; Y439-K455 HydrophobicContact CE2-CD 4.06Å; V440-K455 CarbonylContact O-C 3.38Å; V440-K455 WeakPolarHBondContact O-CA 3.29Å; V440-K455 WeakPolarHBondContact O-CB 3.17Å |
| 456 | T | 98.3 | Very high | 93.6 | Very high | 6 Ų | 6 | 81.5 Ų | 81.5 | 4% | 0.037 | 40% | 0.397 | C | S | . | . | trans | -77.7 | 177.1 | 169.6 | 62.9 | 0 | 0 | 0 | 0 | 111.7 | M421 V440 Y467 E469 I471 | M421-T456 HydrophobicContact CB-CG2 3.85Å; M421-T456 HydrophobicContact CG-CG2 3.65Å; V440-T456 HydrophobicContact CB-CG2 4.04Å; V440-T456 HydrophobicContact CG2-CG2 4.38Å; V440-T456 PolarHBondContact N-OG1 3.07Å; V440-T456 PolarHBondContact O-N 3.06Å; T456-Y467 HydrophobicContact CG2-CD1 3.96Å; T456-Y467 HydrophobicContact CG2-CE1 4.47Å; T456-Y467 HydrophobicContact CG2-CG 4.37Å; T456-Y467 WeakPolarHBondContact OG1-CE1 3.48Å; T456-E469 WeakPolarHBondContact CA-OE2 3.42Å; T456-E469 VanDerWaalsContact CB-OE2 3.25Å; T456-E469 WeakPolarHBondContact CB-OE2 3.23Å; T456-E469 HydrophobicContact CG2-CB 4.24Å; T456-I471 HydrophobicContact CG2-CD1 4.34Å | ||
| 457 | S | 97.8 | Very high | 93.9 | Very high | 53 Ų | 53 | 81.1 Ų | 81.1 | 37% | 0.371 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 156.2 | 154.1 | 75.3 | 0 | 0 | 0 | 0 | 111.3 | K459 E469 | S457-K459 VanDerWaalsContact OG-CE 3.27Å; S457-K459 WeakPolarHBondContact OG-CE 3.49Å; S457-K459 PolarHBondContact OG-NZ 3.35Å; S457-E469 WeakPolarHBondContact CB-OE1 3.46Å; S457-E469 PolarHBondContact N-OE1 3.17Å; S457-E469 PolarHBondContact N-OE2 2.9Å; S457-E469 PolarHBondContact OG-OE1 2.97Å |
| 458 | T | 97.3 | Very high | 94.5 | Very high | 43 Ų | 43 | 78.7 Ų | 78.7 | 26% | 0.264 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -89.4 | 125.9 | 173.3 | -59 | 0 | 0 | 0 | 0 | 109 | D437 Y492 | D437-T458 HydrophobicContact CB-CG2 4.08Å; D437-T458 VanDerWaalsContact O-CG2 3.3Å; D437-T458 WeakPolarHBondContact O-CG2 3.47Å; T458-Y492 HydrophobicContact CG2-CD1 4.22Å; T458-Y492 HydrophobicContact CG2-CG 4.06Å |
| 459 | K | 97.1 | Very high | 95.2 | Very high | 48 Ų | 48 | 78.1 Ų | 78.1 | 21% | 0.209 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -90.6 | 150 | 166.3 | -44.1 | -55.7 | 165.5 | 171.1 | 0 | 107.6 | D437 P438 S457 T462 P465 V466 Y467 E469 | D437-K459 CarbonylContact C-O 3.46Å; D437-K459 WeakPolarHBondContact CA-O 3.45Å; P438-K459 VanDerWaalsContact CD-O 3.31Å; P438-K459 WeakPolarHBondContact CD-O 3.47Å; P438-K459 VanDerWaalsContact N-O 3.16Å; P438-K459 PolarHBondContact O-N 2.92Å; S457-K459 VanDerWaalsContact OG-CE 3.27Å; S457-K459 WeakPolarHBondContact OG-CE 3.49Å; S457-K459 PolarHBondContact OG-NZ 3.35Å; K459-T462 HydrophobicContact CB-CG2 3.85Å; K459-P465 HydrophobicContact CB-CB 3.89Å; K459-P465 HydrophobicContact CG-CB 3.68Å; K459-V466 WeakPolarHBondContact CE-O 3.22Å; K459-V466 PolarHBondContact NZ-O 3.17Å; K459-Y467 HydrophobicContact CD-CD1 4.39Å; K459-Y467 HydrophobicContact CD-CE1 4.48Å; K459-Y467 HydrophobicContact CG-CD1 4.17Å; K459-Y467 HydrophobicContact CG-CE1 3.84Å; K459-E469 IonicContact NZ-OE1 3.82Å; K459-E469 PolarHBondContact NZ-OE1 2.9Å |
| 460 | R | 93.8 | Very high | 95.7 | Very high | 165 Ų | 165 | 76.6 Ų | 76.6 | 62% | 0.623 | 38% | 0.376 | S | S | * | . | trans | -109.9 | 145.3 | -173.7 | -68.2 | -167.7 | 171.5 | 153.7 | 0.1 | 113.2 | D437 T462 | D437-R460 WeakPolarHBondContact OD1-CA 3.4Å; D437-R460 VanDerWaalsContact OD1-CB 3.29Å; D437-R460 WeakPolarHBondContact OD1-CB 3.46Å; D437-R460 WeakPolarHBondContact OD2-CG 3.05Å; D437-R460 IonicContact OD2-NE 2.72Å; R460-T462 VanDerWaalsContact C-N 3.3Å; R460-T462 PolarHBondContact O-N 2.86Å | ||
| 461 | N | 89.8 | Confident | 95.9 | Very high | 99 Ų | 99 | 70.2 Ų | 70.2 | 53% | 0.529 | 35% | 0.352 | S | S | . | . | S | Bend | trans | 41.9 | 53.3 | 173 | -165.5 | 96.3 | 0 | 0 | 0 | 112.5 | T433 A435 S436 D437 | T433-N461 PolarHBondContact OG1-OD1 3.2Å; A435-N461 HydrophobicContact CB-CB 4.39Å; S436-N461 CarbonylContact O-C 3.51Å; S436-N461 WeakPolarHBondContact O-CA 3.2Å; S436-N461 PolarHBondContact O-N 3.38Å; D437-N461 PolarHBondContact OD1-N 3.33Å |
| 462 | T | 90.4 | Very high | 96.1 | Very high | 38 Ų | 38 | 67.9 Ų | 67.9 | 23% | 0.233 | 34% | 0.343 | C | S | . | . | trans | -147.9 | 139.8 | -177.6 | -177.7 | 0 | 0 | 0 | 0 | 112.5 | S436 P438 K459 R460 N464 P465 | S436-T462 PolarHBondContact O-N 3.21Å; P438-T462 WeakPolarHBondContact CD-O 3.47Å; P438-T462 HydrophobicContact CG-CG2 4.15Å; P438-T462 WeakPolarHBondContact CG-O 3.32Å; K459-T462 HydrophobicContact CB-CG2 3.85Å; R460-T462 VanDerWaalsContact C-N 3.3Å; R460-T462 PolarHBondContact O-N 2.86Å; T462-N464 PolarHBondContact OG1-N 2.94Å; T462-N464 VanDerWaalsContact OG1-N 3.12Å; T462-P465 HydrophobicContact CG2-CB 3.97Å | ||
| 463 | L | 90.7 | Very high | 96.2 | Very high | 44 Ų | 44 | 64.9 Ų | 64.9 | 23% | 0.23 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -99.6 | -3 | 172.6 | -53.1 | -176.9 | 0 | 0 | 0 | 112.5 | R425 N426 L427 A429 P465 | R425-L463 CarbonylContact C-O 3.49Å; N426-L463 PolarHBondContact N-O 2.68Å; L427-L463 HydrophobicContact CB-CB 4.35Å; L427-L463 WeakPolarHBondContact CB-O 3.31Å; L427-L463 WeakPolarHBondContact CG-O 3.44Å; L427-L463 PolarHBondContact N-O 2.61Å; L427-L463 WeakPolarHBondContact O-CD2 3.13Å; A429-L463 HydrophobicContact CB-CD1 4.11Å; A429-L463 HydrophobicContact CB-CD2 4.09Å; L463-P465 VanDerWaalsContact C-CD 3.43Å |
| 464 | N | 93.8 | Very high | 96.2 | Very high | 90 Ų | 90 | 63.7 Ų | 63.7 | 48% | 0.481 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -128.9 | 62.5 | 179 | -58.3 | -68.1 | 0 | 0 | 0 | 110.5 | A424 R425 N426 T462 | A424-N464 CarbonylContact O-C 3.53Å; A424-N464 VanDerWaalsContact O-CA 3.28Å; A424-N464 WeakPolarHBondContact O-CA 3.3Å; R425-N464 WeakPolarHBondContact CA-OD1 3.39Å; R425-N464 WeakPolarHBondContact CB-OD1 3.38Å; N426-N464 PolarHBondContact N-OD1 3.31Å; T462-N464 PolarHBondContact OG1-N 2.94Å; T462-N464 VanDerWaalsContact OG1-N 3.12Å |
| 465 | P | 97.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.013 | 31% | 0.309 | C | S | . | . | trans | -73.7 | 132.9 | -175.8 | 30.2 | -36.6 | 0 | 0 | 0 | 112.7 | Q423 A424 L427 P438 K459 T462 L463 Y467 | Q423-P465 CarbonylContact C-O 3.48Å; Q423-P465 WeakPolarHBondContact CA-O 3.48Å; A424-P465 HydrophobicContact CB-CG 3.87Å; A424-P465 PolarHBondContact N-O 2.64Å; L427-P465 HydrophobicContact CD1-CG 3.64Å; P438-P465 HydrophobicContact CB-CG 4.27Å; P438-P465 HydrophobicContact CG-CB 3.83Å; P438-P465 HydrophobicContact CG-CG 3.68Å; K459-P465 HydrophobicContact CB-CB 3.89Å; K459-P465 HydrophobicContact CG-CB 3.68Å; T462-P465 HydrophobicContact CG2-CB 3.97Å; L463-P465 VanDerWaalsContact C-CD 3.43Å; P465-Y467 HydrophobicContact CB-CE1 4.47Å; P465-Y467 HydrophobicContact CB-CE2 3.83Å; P465-Y467 HydrophobicContact CG-CE2 3.68Å; P465-Y467 WeakPolarHBondContact CG-OH 3.3Å | ||
| 466 | V | 98.1 | Very high | 96 | Very high | 75 Ų | 75 | 56.6 Ų | 56.6 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 126.8 | 167.1 | -177.9 | 0 | 0 | 0 | 0 | 109.4 | Q423 K459 N468 | Q423-V466 HydrophobicContact CB-CG2 4.12Å; K459-V466 WeakPolarHBondContact CE-O 3.22Å; K459-V466 PolarHBondContact NZ-O 3.17Å; V466-N468 WeakPolarHBondContact CG1-ND2 3.5Å |
| 467 | Y | 98.1 | Very high | 95.7 | Very high | 12 Ų | 12 | 58.6 Ų | 58.6 | 5% | 0.047 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | -62.1 | -178 | -62 | -80.9 | 0 | 0 | 0 | 111.6 | M421 I422 P438 V440 T456 K459 P465 E469 | M421-Y467 HydrophobicContact CB-CG 4.34Å; M421-Y467 WeakPolarHBondContact O-CB 3.46Å; I422-Y467 PolarHBondContact O-N 2.72Å; P438-Y467 PolarHBondContact O-OH 3.41Å; V440-Y467 HydrophobicContact CG2-CD2 4.23Å; V440-Y467 HydrophobicContact CG2-CE1 4.17Å; V440-Y467 HydrophobicContact CG2-CE2 3.64Å; T456-Y467 HydrophobicContact CG2-CD1 3.96Å; T456-Y467 HydrophobicContact CG2-CE1 4.47Å; T456-Y467 HydrophobicContact CG2-CG 4.37Å; T456-Y467 WeakPolarHBondContact OG1-CE1 3.48Å; K459-Y467 HydrophobicContact CD-CD1 4.39Å; K459-Y467 HydrophobicContact CD-CE1 4.48Å; K459-Y467 HydrophobicContact CG-CD1 4.17Å; K459-Y467 HydrophobicContact CG-CE1 3.84Å; P465-Y467 HydrophobicContact CB-CE1 4.47Å; P465-Y467 HydrophobicContact CB-CE2 3.83Å; P465-Y467 HydrophobicContact CG-CE2 3.68Å; P465-Y467 WeakPolarHBondContact CG-OH 3.3Å; Y467-E469 VanDerWaalsContact C-N 3.27Å; Y467-E469 PolarHBondContact O-N 3.12Å |
| 468 | N | 97.6 | Very high | 95.4 | Very high | 110 Ų | 110 | 62.5 Ų | 62.5 | 59% | 0.588 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 53 | 40.5 | -168.3 | -61.7 | -32.7 | 0 | 0 | 0 | 113.5 | M421 I422 V466 | M421-N468 CarbonylContact O-C 3.58Å; M421-N468 VanDerWaalsContact O-CA 3.25Å; M421-N468 WeakPolarHBondContact O-CA 3.45Å; M421-N468 PolarHBondContact O-N 3.05Å; I422-N468 WeakPolarHBondContact CG2-OD1 3.25Å; I422-N468 PolarHBondContact O-N 3.48Å; I422-N468 VanDerWaalsContact O-N 3.1Å; V466-N468 WeakPolarHBondContact CG1-ND2 3.5Å |
| 469 | E | 98.3 | Very high | 95.2 | Very high | 47 Ų | 47 | 63.1 Ų | 63.1 | 22% | 0.22 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 117.5 | -172.5 | -73.8 | 173 | -123.2 | 0 | 0 | 111.9 | M421 T456 S457 K459 Y467 | M421-E469 PolarHBondContact N-O 2.82Å; M421-E469 PolarHBondContact O-N 3.07Å; T456-E469 WeakPolarHBondContact CA-OE2 3.42Å; T456-E469 VanDerWaalsContact CB-OE2 3.25Å; T456-E469 WeakPolarHBondContact CB-OE2 3.23Å; T456-E469 HydrophobicContact CG2-CB 4.24Å; S457-E469 WeakPolarHBondContact CB-OE1 3.46Å; S457-E469 PolarHBondContact N-OE1 3.17Å; S457-E469 PolarHBondContact N-OE2 2.9Å; S457-E469 PolarHBondContact OG-OE1 2.97Å; K459-E469 IonicContact NZ-OE1 3.82Å; K459-E469 PolarHBondContact NZ-OE1 2.9Å; Y467-E469 VanDerWaalsContact C-N 3.27Å; Y467-E469 PolarHBondContact O-N 3.12Å |
| 470 | A | 97.8 | Very high | 94.9 | Very high | 70 Ų | 70 | 61.5 Ų | 61.5 | 58% | 0.579 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 123.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | T418 | T418-A470 HydrophobicContact CG2-CB 4.4Å |
| 471 | I | 98 | Very high | 94.8 | Very high | 13 Ų | 13 | 60.4 Ų | 60.4 | 7% | 0.067 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 132.4 | 172.8 | -68.4 | 173.4 | 0 | 0 | 0 | 108 | I419 M421 V442 R454 T456 F473 | I419-I471 HydrophobicContact CG2-CB 3.96Å; I419-I471 HydrophobicContact CG2-CG2 4.11Å; I419-I471 PolarHBondContact N-O 3.01Å; I419-I471 PolarHBondContact O-N 2.89Å; M421-I471 HydrophobicContact CG-CD1 4.38Å; V442-I471 HydrophobicContact CB-CD1 4.31Å; V442-I471 HydrophobicContact CG2-CD1 3.77Å; R454-I471 HydrophobicContact CB-CD1 4.23Å; R454-I471 HydrophobicContact CB-CG1 4.43Å; R454-I471 HydrophobicContact CB-CG2 3.56Å; R454-I471 HydrophobicContact CG-CG2 3.85Å; T456-I471 HydrophobicContact CG2-CD1 4.34Å; I471-F473 HydrophobicContact CG2-CD2 4.18Å; I471-F473 HydrophobicContact CG2-CE2 3.48Å; I471-F473 VanDerWaalsContact CG2-CE2 3.48Å; I471-F473 HydrophobicContact CG2-CZ 3.82Å |
| 472 | V | 97.7 | Very high | 94.9 | Very high | 62 Ų | 62 | 60.7 Ų | 60.7 | 38% | 0.376 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 135.9 | -176.7 | -176.7 | 0 | 0 | 0 | 0 | 110.9 | R416 T418 | R416-V472 HydrophobicContact CG-CG1 3.55Å; T418-V472 HydrophobicContact CG2-CG2 4.31Å |
| 473 | F | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 137.6 | 171.5 | -63 | -81.9 | 0 | 0 | 0 | 110.5 | L417 I419 V442 L444 K452 R454 I471 V475 L485 | L417-F473 HydrophobicContact CB-CB 4.44Å; L417-F473 PolarHBondContact N-O 2.85Å; L417-F473 PolarHBondContact O-N 2.92Å; I419-F473 HydrophobicContact CG2-CD2 4.38Å; I419-F473 HydrophobicContact CG2-CE2 4.09Å; V442-F473 HydrophobicContact CB-CE2 4.29Å; V442-F473 HydrophobicContact CB-CZ 4.22Å; V442-F473 HydrophobicContact CG1-CE2 3.65Å; V442-F473 HydrophobicContact CG1-CZ 3.86Å; L444-F473 HydrophobicContact CB-CD1 3.88Å; L444-F473 HydrophobicContact CB-CE1 3.84Å; L444-F473 HydrophobicContact CB-CG 4.45Å; L444-F473 HydrophobicContact CB-CZ 4.39Å; L444-F473 HydrophobicContact CD2-CB 4.33Å; L444-F473 HydrophobicContact CD2-CD1 4.02Å; L444-F473 HydrophobicContact CD2-CG 4.39Å; K452-F473 HydrophobicContact CB-CD1 4.09Å; K452-F473 HydrophobicContact CB-CE1 4.03Å; K452-F473 HydrophobicContact CD-CD1 4.06Å; K452-F473 HydrophobicContact CG-CD1 4Å; K452-F473 HydrophobicContact CG-CE1 4.01Å; R454-F473 HydrophobicContact CB-CZ 4.21Å; R454-F473 HydrophobicContact CG-CE1 4.02Å; R454-F473 HydrophobicContact CG-CZ 4.05Å; I471-F473 HydrophobicContact CG2-CD2 4.18Å; I471-F473 HydrophobicContact CG2-CE2 3.48Å; I471-F473 VanDerWaalsContact CG2-CE2 3.48Å; I471-F473 HydrophobicContact CG2-CZ 3.82Å; F473-V475 HydrophobicContact CB-CG2 4.14Å; F473-L485 HydrophobicContact CD2-CD2 4.41Å; F473-L485 HydrophobicContact CE2-CD2 4.3Å |
| 474 | D | 96.4 | Very high | 95.3 | Very high | 106 Ų | 106 | 57.7 Ų | 57.7 | 57% | 0.567 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 113.7 | 175.4 | -32.8 | -86.1 | 0 | 0 | 0 | 107.7 | G415 K452 | G415-D474 CarbonylContact O-C 3.55Å; G415-D474 WeakPolarHBondContact O-CA 3.4Å; K452-D474 IonicContact NZ-OD2 2.74Å; K452-D474 PolarHBondContact NZ-OD2 3.26Å |
| 475 | V | 95.1 | Very high | 95.4 | Very high | 6 Ų | 6 | 53.4 Ų | 53.4 | 4% | 0.036 | 29% | 0.288 | C | S | . | . | trans | -141.1 | 106.4 | -173.6 | -176.4 | 0 | 0 | 0 | 0 | 108.4 | Y410 G415 L417 L444 F473 N479 I480 I483 | Y410-V475 HydrophobicContact CE2-CB 4.29Å; Y410-V475 WeakPolarHBondContact CE2-O 3.03Å; Y410-V475 PolarHBondContact OH-O 3.22Å; G415-V475 CarbonylContact C-O 3.53Å; G415-V475 WeakPolarHBondContact CA-O 3.2Å; G415-V475 CarbonylContact O-C 3.54Å; G415-V475 PolarHBondContact O-N 2.87Å; L417-V475 HydrophobicContact CB-CB 4.43Å; L417-V475 HydrophobicContact CB-CG2 4.03Å; L417-V475 HydrophobicContact CD2-CG2 4.27Å; L444-V475 HydrophobicContact CD2-CG2 4.39Å; F473-V475 HydrophobicContact CB-CG2 4.14Å; V475-N479 HydrophobicContact CG1-CB 4.48Å; V475-I480 HydrophobicContact CG1-CD1 3.78Å; V475-I483 HydrophobicContact CB-CD1 4.34Å; V475-I483 HydrophobicContact CG1-CD1 3.62Å; V475-I483 HydrophobicContact CG1-CG1 4.3Å; V475-I483 HydrophobicContact CG2-CD1 3.82Å | ||
| 476 | I | 94.7 | Very high | 95.3 | Very high | 99 Ų | 99 | 54.3 Ų | 54.3 | 51% | 0.508 | 29% | 0.293 | S | S | . | . | trans | -72.6 | 143.1 | 177.5 | -28.3 | -178.2 | 0 | 0 | 0 | 108.7 | E478 N479 | I476-E478 WeakPolarHBondContact CB-OE2 3.3Å; I476-E478 WeakPolarHBondContact CG2-OE2 3.16Å; I476-E478 PolarHBondContact O-N 3.42Å; I476-E478 VanDerWaalsContact O-N 3.08Å; I476-N479 PolarHBondContact O-N 3.2Å | ||
| 477 | P | 92.6 | Very high | 95.3 | Very high | 49 Ų | 49 | 50.8 Ų | 50.8 | 32% | 0.318 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -53.2 | -31.8 | -170.9 | -33.3 | 39 | 0 | 0 | 0 | 116.4 | Y410 P412 N479 I480 | Y410-P477 WeakPolarHBondContact OH-CA 3.35Å; Y410-P477 WeakPolarHBondContact OH-CD 3.21Å; Y410-P477 WeakPolarHBondContact OH-CG 3.3Å; P412-P477 HydrophobicContact CB-CG 3.98Å; P412-P477 WeakPolarHBondContact O-CG 3.31Å; P477-N479 PolarHBondContact O-N 2.95Å; P477-I480 WeakPolarHBondContact O-CB 3.44Å; P477-I480 WeakPolarHBondContact O-CG2 3.32Å; P477-I480 PolarHBondContact O-N 3.38Å; P477-I480 VanDerWaalsContact O-N 3.16Å |
| 478 | E | 92.2 | Very high | 95.3 | Very high | 135 Ų | 135 | 50.7 Ų | 50.7 | 63% | 0.631 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -64.9 | -22.6 | -179.7 | -53.6 | 72.4 | -156.5 | 0 | 0 | 112.5 | I476 | I476-E478 WeakPolarHBondContact CB-OE2 3.3Å; I476-E478 WeakPolarHBondContact CG2-OE2 3.16Å; I476-E478 PolarHBondContact O-N 3.42Å; I476-E478 VanDerWaalsContact O-N 3.08Å |
| 479 | N | 91.9 | Very high | 95.3 | Very high | 55 Ų | 55 | 45.4 Ų | 45.4 | 29% | 0.294 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -96.1 | -6.2 | -179.8 | -63.1 | -12.4 | 0 | 0 | 0 | 112.9 | V475 I476 P477 E481 Q482 I483 | V475-N479 HydrophobicContact CG1-CB 4.48Å; I476-N479 PolarHBondContact O-N 3.2Å; P477-N479 PolarHBondContact O-N 2.95Å; N479-E481 VanDerWaalsContact C-N 3.26Å; N479-E481 PolarHBondContact O-N 3.25Å; N479-Q482 PolarHBondContact O-N 3.3Å; N479-I483 WeakPolarHBondContact O-CG2 3.38Å; N479-I483 PolarHBondContact O-N 3.3Å |
| 480 | I | 92.1 | Very high | 95.2 | Very high | 14 Ų | 14 | 43.6 Ų | 43.6 | 7% | 0.072 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -28.7 | -168.2 | -160.7 | 60.3 | 0 | 0 | 0 | 113.2 | Y410 V475 P477 I483 W518 L522 | Y410-I480 HydrophobicContact CD1-CD1 4.18Å; Y410-I480 HydrophobicContact CD1-CG1 4.23Å; Y410-I480 HydrophobicContact CD2-CD1 3.97Å; Y410-I480 HydrophobicContact CE1-CB 4.48Å; Y410-I480 HydrophobicContact CE1-CD1 3.98Å; Y410-I480 HydrophobicContact CE1-CG1 3.94Å; Y410-I480 HydrophobicContact CE2-CD1 3.79Å; Y410-I480 HydrophobicContact CG-CD1 4.19Å; V475-I480 HydrophobicContact CG1-CD1 3.78Å; P477-I480 WeakPolarHBondContact O-CB 3.44Å; P477-I480 WeakPolarHBondContact O-CG2 3.32Å; P477-I480 PolarHBondContact O-N 3.38Å; P477-I480 VanDerWaalsContact O-N 3.16Å; I480-I483 HydrophobicContact CD1-CD1 4.15Å; I480-I483 WeakPolarHBondContact O-CG1 3.01Å; I480-W518 HydrophobicContact CD1-CH2 4.29Å; I480-W518 HydrophobicContact CD1-CZ2 3.92Å; I480-W518 HydrophobicContact CG1-CZ2 4.32Å; I480-L522 HydrophobicContact CG1-CD2 3.68Å |
| 481 | E | 90.3 | Very high | 95.1 | Very high | 143 Ų | 143 | 40.3 Ų | 40.3 | 67% | 0.668 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81 | -27.2 | -178.8 | -59.5 | -178.4 | 172.5 | 0 | 0 | 112.8 | N479 | N479-E481 VanDerWaalsContact C-N 3.26Å; N479-E481 PolarHBondContact O-N 3.25Å |
| 482 | Q | 91.7 | Very high | 94.8 | Very high | 104 Ų | 104 | 43.9 Ų | 43.9 | 49% | 0.486 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -13.5 | -176.4 | -61.8 | 176.8 | -2.4 | 0 | 0 | 113.3 | N479 | N479-Q482 PolarHBondContact O-N 3.3Š|
| 483 | I | 94.7 | Very high | 94.1 | Very high | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 155.3 | -178.3 | 63.7 | 152 | 0 | 0 | 0 | 113.3 | L417 L444 M445 C446 V475 N479 I480 W518 | L417-I483 HydrophobicContact CD2-CD1 3.99Å; L444-I483 HydrophobicContact CD1-CB 3.94Å; L444-I483 HydrophobicContact CD1-CD1 3.56Å; L444-I483 HydrophobicContact CD1-CG1 4.38Å; L444-I483 HydrophobicContact CD1-CG2 4.14Å; M445-I483 WeakPolarHBondContact O-CA 3.24Å; M445-I483 WeakPolarHBondContact O-CB 3.31Å; C446-I483 HydrophobicContact CB-CG2 4.18Å; V475-I483 HydrophobicContact CB-CD1 4.34Å; V475-I483 HydrophobicContact CG1-CD1 3.62Å; V475-I483 HydrophobicContact CG1-CG1 4.3Å; V475-I483 HydrophobicContact CG2-CD1 3.82Å; N479-I483 WeakPolarHBondContact O-CG2 3.38Å; N479-I483 PolarHBondContact O-N 3.3Å; I480-I483 HydrophobicContact CD1-CD1 4.15Å; I480-I483 WeakPolarHBondContact O-CG1 3.01Å; I483-W518 HydrophobicContact CD1-CH2 3.73Å; I483-W518 HydrophobicContact CD1-CZ2 3.95Å; I483-W518 HydrophobicContact CG1-CH2 4.15Å; I483-W518 HydrophobicContact CG1-CZ2 3.89Å |
| 484 | S | 95.3 | Very high | 93.1 | Very high | 14 Ų | 14 | 51.1 Ų | 51.1 | 10% | 0.098 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 160 | 166.2 | 46.6 | 0 | 0 | 0 | 0 | 110.6 | M445 V506 | M445-S484 WeakPolarHBondContact CB-O 3.38Å; M445-S484 PolarHBondContact N-O 3.45Å; M445-S484 PolarHBondContact O-N 3.38Å; S484-V506 CarbonylContact C-O 3.58Å; S484-V506 VanDerWaalsContact CA-O 3.31Å; S484-V506 WeakPolarHBondContact CA-O 3.17Å; S484-V506 VanDerWaalsContact CB-O 3.26Å; S484-V506 WeakPolarHBondContact CB-O 3.15Å |
| 485 | L | 96.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 122.9 | 170.8 | -58.2 | -178.8 | 0 | 0 | 0 | 109.2 | L408 L417 I419 V442 S443 L444 F473 I487 R505 V506 W518 | L408-L485 HydrophobicContact CD2-CD1 4.08Å; L417-L485 HydrophobicContact CD2-CD1 4.27Å; L417-L485 HydrophobicContact CD2-CD2 4.23Å; L417-L485 HydrophobicContact CD2-CG 4.48Å; I419-L485 HydrophobicContact CB-CD1 4.42Å; I419-L485 HydrophobicContact CD1-CD1 3.74Å; I419-L485 HydrophobicContact CG2-CD1 4.4Å; V442-L485 HydrophobicContact CG1-CD2 4.24Å; S443-L485 WeakPolarHBondContact O-CA 3.48Å; L444-L485 HydrophobicContact CB-CD2 4.4Å; L444-L485 HydrophobicContact CD1-CD2 3.86Å; F473-L485 HydrophobicContact CD2-CD2 4.41Å; F473-L485 HydrophobicContact CE2-CD2 4.3Å; L485-I487 HydrophobicContact CB-CG1 4.24Å; L485-R505 WeakPolarHBondContact O-CA 3.24Å; L485-V506 HydrophobicContact CB-CB 4.37Å; L485-V506 PolarHBondContact N-O 3.25Å; L485-V506 PolarHBondContact O-N 2.79Å; L485-W518 HydrophobicContact CD1-CZ3 4.27Å; L485-W518 HydrophobicContact CG-CZ3 4.28Å |
| 486 | L | 95.9 | Very high | 90.8 | Very high | 22 Ų | 22 | 55.1 Ų | 55.1 | 12% | 0.115 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 112.3 | 162.6 | 173.6 | 63.3 | 0 | 0 | 0 | 107.8 | S443 M445 V503 R505 Y538 | S443-L486 PolarHBondContact N-O 3.46Å; S443-L486 PolarHBondContact O-N 3.06Å; M445-L486 HydrophobicContact CG-CB 3.95Å; M445-L486 HydrophobicContact SD-CB 4.32Å; L486-V503 HydrophobicContact CD1-CB 4.17Å; L486-V503 HydrophobicContact CD1-CG1 4.48Å; L486-V503 HydrophobicContact CD1-CG2 4.47Å; L486-R505 HydrophobicContact CD1-CG 3.95Å; L486-Y538 HydrophobicContact CD2-CE2 4.36Å |
| 487 | I | 97.4 | Very high | 90 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 120.5 | -178.1 | -55.3 | 167.1 | 0 | 0 | 0 | 107.2 | L404 F406 I419 M421 V440 V442 L485 V503 C504 V506 | L404-I487 HydrophobicContact CD2-CG2 3.46Å; L404-I487 VanDerWaalsContact CD2-CG2 3.46Å; F406-I487 HydrophobicContact CD1-CD1 4.2Å; F406-I487 HydrophobicContact CD2-CD1 4.25Å; F406-I487 HydrophobicContact CE1-CD1 3.73Å; F406-I487 HydrophobicContact CE2-CD1 3.78Å; F406-I487 HydrophobicContact CG-CD1 4.45Å; F406-I487 HydrophobicContact CZ-CD1 3.51Å; I419-I487 HydrophobicContact CD1-CD1 3.59Å; I419-I487 HydrophobicContact CD1-CG1 4.26Å; M421-I487 HydrophobicContact CE-CD1 4.47Å; M421-I487 HydrophobicContact CE-CG2 4.31Å; M421-I487 HydrophobicContact SD-CG2 4.33Å; V440-I487 HydrophobicContact CG1-CG2 3.51Å; V442-I487 HydrophobicContact CG1-CG1 4.3Å; V442-I487 HydrophobicContact CG2-CG1 4.48Å; V442-I487 HydrophobicContact CG2-CG2 4.39Å; L485-I487 HydrophobicContact CB-CG1 4.24Å; I487-V503 CarbonylContact O-C 3.55Å; I487-V503 VanDerWaalsContact O-CA 3.25Å; I487-V503 WeakPolarHBondContact O-CA 2.95Å; I487-V503 WeakPolarHBondContact O-CB 3.38Å; I487-C504 PolarHBondContact N-O 2.66Å; I487-C504 PolarHBondContact O-N 2.73Å; I487-V506 HydrophobicContact CD1-CG2 3.83Å |
| 488 | A | 97.4 | Very high | 89.7 | Confident | 10 Ų | 10 | 59.3 Ų | 59.3 | 8% | 0.083 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 123.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111 | V440 K441 M490 V503 | V440-A488 CarbonylContact C-O 3.57Å; V440-A488 WeakPolarHBondContact CA-O 3.47Å; K441-A488 PolarHBondContact N-O 3.22Å; K441-A488 PolarHBondContact O-N 2.93Å; A488-M490 HydrophobicContact CB-SD 4.13Å; A488-V503 HydrophobicContact CB-CG1 3.69Å |
| 489 | V | 97.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 125.8 | 166.8 | -172.9 | 0 | 0 | 0 | 0 | 107.5 | L404 L427 P438 V440 I501 G502 L535 | L404-V489 HydrophobicContact CD1-CG2 4.23Å; L404-V489 HydrophobicContact CD2-CG2 4.02Å; L404-V489 HydrophobicContact CG-CG2 4.49Å; L427-V489 HydrophobicContact CD1-CG1 3.92Å; L427-V489 HydrophobicContact CD2-CG1 4.09Å; P438-V489 HydrophobicContact CB-CG1 4.37Å; V440-V489 HydrophobicContact CG1-CG2 4.4Å; V440-V489 HydrophobicContact CG2-CG2 4.36Å; V489-I501 HydrophobicContact CB-CB 4.37Å; V489-I501 HydrophobicContact CG1-CB 4.22Å; V489-I501 HydrophobicContact CG1-CD1 4.12Å; V489-I501 HydrophobicContact CG1-CG2 4.46Å; V489-I501 PolarHBondContact O-N 3.08Å; V489-G502 PolarHBondContact N-O 3.32Å; V489-G502 PolarHBondContact O-N 3.08Å; V489-L535 HydrophobicContact CB-CD1 4.03Å; V489-L535 HydrophobicContact CG2-CD1 3.66Å; V489-L535 HydrophobicContact CG2-CD2 3.85Å; V489-L535 HydrophobicContact CG2-CG 4.43Å |
| 490 | M | 96.4 | Very high | 89.5 | Confident | 8 Ų | 8 | 57 Ų | 57 | 4% | 0.039 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 144.8 | -171 | -59 | -71.6 | -38.8 | 0 | 0 | 109 | P438 Y439 K441 A488 N498 E499 V500 | P438-M490 CarbonylContact C-O 3.59Å; P438-M490 WeakPolarHBondContact CA-O 3.11Å; Y439-M490 HydrophobicContact CD1-CB 3.8Å; Y439-M490 HydrophobicContact CD2-CB 4.18Å; Y439-M490 HydrophobicContact CD2-CG 4.41Å; Y439-M490 HydrophobicContact CE1-CB 3.35Å; Y439-M490 HydrophobicContact CE1-CG 4.23Å; Y439-M490 HydrophobicContact CE2-CB 3.76Å; Y439-M490 HydrophobicContact CE2-CG 3.78Å; Y439-M490 HydrophobicContact CG-CB 4.19Å; Y439-M490 PolarHBondContact N-O 3.36Å; Y439-M490 WeakPolarHBondContact O-CB 3.22Å; Y439-M490 PolarHBondContact O-N 2.88Å; K441-M490 HydrophobicContact CB-CG 3.97Å; K441-M490 HydrophobicContact CD-SD 4.37Å; K441-M490 PolarHBondContact NZ-SD 3Å; A488-M490 HydrophobicContact CB-SD 4.13Å; M490-N498 HydrophobicContact CE-CB 4.14Å; M490-N498 WeakPolarHBondContact CE-O 3.28Å; M490-E499 CarbonylContact C-O 3.57Å; M490-E499 WeakPolarHBondContact CA-O 3.46Å; M490-E499 WeakPolarHBondContact CE-O 3.45Å; M490-V500 HydrophobicContact CE-CG2 3.82Å; M490-V500 HydrophobicContact SD-CB 4.42Å; M490-V500 HydrophobicContact SD-CG1 4.37Å; M490-V500 HydrophobicContact SD-CG2 3.86Å |
| 491 | D | 94.8 | Very high | 89.5 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.011 | 29% | 0.288 | C | S | . | . | trans | -87 | 159.5 | 167 | -159.7 | 12.8 | 0 | 0 | 0 | 112.1 | M430 S436 D437 Y439 N498 E499 I501 | M430-D491 HydrophobicContact CB-CB 4.34Å; M430-D491 WeakPolarHBondContact CB-OD2 3.47Å; S436-D491 WeakPolarHBondContact CB-OD1 3.45Å; D437-D491 WeakPolarHBondContact CA-OD1 3.36Å; D437-D491 PolarHBondContact N-OD1 3.46Å; Y439-D491 WeakPolarHBondContact CE1-O 3.36Å; D491-N498 WeakPolarHBondContact O-CB 3.38Å; D491-N498 PolarHBondContact O-ND2 2.98Å; D491-E499 PolarHBondContact N-O 3.47Å; D491-I501 HydrophobicContact CB-CD1 4.13Å; D491-I501 HydrophobicContact CB-CG1 4.22Å | ||
| 492 | Y | 92.8 | Very high | 89.6 | Confident | 87 Ų | 87 | 49.8 Ų | 49.8 | 34% | 0.341 | 26% | 0.256 | S | S | . | . | trans | -118.6 | 82 | 179 | -177.8 | -98.7 | 0 | 0 | 0 | 113.8 | D437 T458 R494 N498 | D437-Y492 HydrophobicContact CB-CD1 4.49Å; D437-Y492 VanDerWaalsContact O-CB 3.25Å; D437-Y492 WeakPolarHBondContact O-CB 3.44Å; D437-Y492 PolarHBondContact O-N 3.13Å; D437-Y492 VanDerWaalsContact O-N 3.1Å; T458-Y492 HydrophobicContact CG2-CD1 4.22Å; T458-Y492 HydrophobicContact CG2-CG 4.06Å; Y492-R494 HydrophobicContact CE1-CG 4.1Å; Y492-R494 PolarHBondContact O-N 3.25Å; Y492-N498 WeakPolarHBondContact CA-ND2 3.36Å; Y492-N498 WeakPolarHBondContact CD2-ND2 3.47Å | ||
| 493 | D | 83.6 | Confident | 89.8 | Confident | 43 Ų | 43 | 45.3 Ų | 45.3 | 23% | 0.23 | 24% | 0.236 | C | C | . | . | trans | -58.9 | 127.6 | 164.8 | -52.1 | -101.8 | 0 | 0 | 0 | 111.8 | V495 N498 E499 | D493-V495 VanDerWaalsContact C-N 3.33Å; D493-N498 WeakPolarHBondContact OD2-CA 3.43Å; D493-N498 PolarHBondContact OD2-N 3.5Å; D493-E499 PolarHBondContact OD2-N 3Å | ||
| 494 | R | 75 | Confident | 89.7 | Confident | 172 Ų | 172 | 45.4 Ų | 45.4 | 65% | 0.649 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -75.5 | -25.8 | 167.6 | -58.8 | -176.4 | -165.8 | 174.2 | 10.1 | 112.5 | Y492 | Y492-R494 HydrophobicContact CE1-CG 4.1Å; Y492-R494 PolarHBondContact O-N 3.25Å |
| 495 | V | 70.6 | Confident | 89.7 | Confident | 141 Ų | 141 | 49.3 Ų | 49.3 | 86% | 0.855 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -142.1 | 87.6 | -176.1 | -176.1 | 0 | 0 | 0 | 0 | 108.1 | D493 | D493-V495 VanDerWaalsContact C-N 3.33Š|
| 496 | G | 73.2 | Confident | 89.6 | Confident | 55 Ų | 55 | 49.3 Ų | 49.3 | 57% | 0.567 | 25% | 0.249 | S | C | * | . | S | Bend | trans | 157.6 | -149.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 497 | H | 77.8 | Confident | 89.5 | Confident | 173 Ų | 173 | 48.2 Ų | 48.2 | 80% | 0.801 | 24% | 0.244 | S | C | * | . | trans | -128.6 | 112.5 | 176.5 | -70.6 | -40.5 | 0 | 0 | 0 | 110.1 | E499 | H497-E499 PolarHBondContact O-N 3.38Š| ||
| 498 | N | 86.1 | Confident | 89.1 | Confident | 62 Ų | 62 | 52.1 Ų | 52.1 | 33% | 0.332 | 27% | 0.265 | S | S | . | . | trans | -34 | 102.3 | 177.7 | -64.3 | 97.5 | 0 | 0 | 0 | 114.7 | M490 D491 Y492 D493 | M490-N498 HydrophobicContact CE-CB 4.14Å; M490-N498 WeakPolarHBondContact CE-O 3.28Å; D491-N498 WeakPolarHBondContact O-CB 3.38Å; D491-N498 PolarHBondContact O-ND2 2.98Å; Y492-N498 WeakPolarHBondContact CA-ND2 3.36Å; Y492-N498 WeakPolarHBondContact CD2-ND2 3.47Å; D493-N498 WeakPolarHBondContact OD2-CA 3.43Å; D493-N498 PolarHBondContact OD2-N 3.5Å | ||
| 499 | E | 87.6 | Confident | 88.5 | Confident | 104 Ų | 104 | 57.6 Ų | 57.6 | 49% | 0.486 | 29% | 0.292 | S | S | . | . | trans | -73.4 | 154.9 | -179.8 | -59.3 | -144.7 | 105.2 | 0 | 0 | 112.6 | M430 M490 D491 D493 H497 | M430-E499 HydrophobicContact CE-CB 3.93Å; M430-E499 HydrophobicContact CE-CG 4.44Å; M430-E499 WeakPolarHBondContact CE-OE2 3.41Å; M490-E499 CarbonylContact C-O 3.57Å; M490-E499 WeakPolarHBondContact CA-O 3.46Å; M490-E499 WeakPolarHBondContact CE-O 3.45Å; D491-E499 PolarHBondContact N-O 3.47Å; D493-E499 PolarHBondContact OD2-N 3Å; H497-E499 PolarHBondContact O-N 3.38Å | ||
| 500 | V | 92.6 | Very high | 88 | Confident | 38 Ų | 38 | 57.7 Ų | 57.7 | 23% | 0.23 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 117.8 | 174.7 | -171.2 | 0 | 0 | 0 | 0 | 108.3 | M490 V503 Y538 | M490-V500 HydrophobicContact CE-CG2 3.82Å; M490-V500 HydrophobicContact SD-CB 4.42Å; M490-V500 HydrophobicContact SD-CG1 4.37Å; M490-V500 HydrophobicContact SD-CG2 3.86Å; V500-V503 HydrophobicContact CG1-CG1 3.93Å; V500-Y538 HydrophobicContact CG1-CG 4.43Å; V500-Y538 HydrophobicContact CG2-CD1 4.4Å |
| 501 | I | 92 | Very high | 87.1 | Confident | 5 Ų | 5 | 63.2 Ų | 63.2 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | -49.3 | 174.8 | -70.1 | 169 | 0 | 0 | 0 | 109.3 | L427 K428 M430 P438 V489 D491 | L427-I501 HydrophobicContact CB-CG2 4.44Å; L427-I501 HydrophobicContact CD2-CG2 4.25Å; K428-I501 HydrophobicContact CB-CG2 4.27Å; M430-I501 HydrophobicContact CG-CG1 3.75Å; P438-I501 HydrophobicContact CB-CD1 4.2Å; V489-I501 HydrophobicContact CB-CB 4.37Å; V489-I501 HydrophobicContact CG1-CB 4.22Å; V489-I501 HydrophobicContact CG1-CD1 4.12Å; V489-I501 HydrophobicContact CG1-CG2 4.46Å; V489-I501 PolarHBondContact O-N 3.08Å; D491-I501 HydrophobicContact CB-CD1 4.13Å; D491-I501 HydrophobicContact CB-CG1 4.22Å |
| 502 | G | 93.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.9 | 172.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V489 V536 | V489-G502 PolarHBondContact N-O 3.32Å; V489-G502 PolarHBondContact O-N 3.08Å; G502-V536 WeakPolarHBondContact CA-O 3.17Å |
| 503 | V | 94.6 | Very high | 86.2 | Confident | 10 Ų | 10 | 66.5 Ų | 66.5 | 6% | 0.061 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 158.9 | -177.3 | -57.7 | 0 | 0 | 0 | 0 | 112.6 | L486 I487 A488 V500 V536 Y538 | L486-V503 HydrophobicContact CD1-CB 4.17Å; L486-V503 HydrophobicContact CD1-CG1 4.48Å; L486-V503 HydrophobicContact CD1-CG2 4.47Å; I487-V503 CarbonylContact O-C 3.55Å; I487-V503 VanDerWaalsContact O-CA 3.25Å; I487-V503 WeakPolarHBondContact O-CA 2.95Å; I487-V503 WeakPolarHBondContact O-CB 3.38Å; A488-V503 HydrophobicContact CB-CG1 3.69Å; V500-V503 HydrophobicContact CG1-CG1 3.93Å; V503-V536 HydrophobicContact CG2-CG2 4.07Å; V503-V536 PolarHBondContact N-O 2.62Å; V503-V536 WeakPolarHBondContact O-CG2 3.33Å; V503-V536 PolarHBondContact O-N 2.94Å; V503-Y538 HydrophobicContact CG1-CD2 3.72Å; V503-Y538 HydrophobicContact CG1-CG 4.24Å; V503-Y538 HydrophobicContact CG2-CD2 4.32Å |
| 504 | C | 94.1 | Very high | 86.6 | Confident | 7 Ų | 7 | 64.7 Ų | 64.7 | 5% | 0.047 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 156.3 | 160.3 | 53.6 | 0 | 0 | 0 | 0 | 110 | I487 H533 | I487-C504 PolarHBondContact N-O 2.66Å; I487-C504 PolarHBondContact O-N 2.73Å; C504-H533 HydrophobicContact CB-CB 4.04Å |
| 505 | R | 94.3 | Very high | 87.5 | Confident | 96 Ų | 96 | 62.3 Ų | 62.3 | 36% | 0.362 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 147.2 | 174.3 | -81.7 | -172 | 174.6 | -153.8 | 2.9 | 110.4 | L485 L486 A510 G514 | L485-R505 WeakPolarHBondContact O-CA 3.24Å; L486-R505 HydrophobicContact CD1-CG 3.95Å; R505-A510 HydrophobicContact CB-CB 4.27Å; R505-G514 VanDerWaalsContact O-CA 3.32Å; R505-G514 WeakPolarHBondContact O-CA 3.36Å |
| 506 | V | 95.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 135 | 177.4 | -173.5 | 0 | 0 | 0 | 0 | 108.2 | F406 L408 S484 L485 I487 G514 W518 | F406-V506 HydrophobicContact CE2-CG2 3.83Å; F406-V506 HydrophobicContact CZ-CG2 3.5Å; L408-V506 HydrophobicContact CD1-CG1 3.63Å; S484-V506 CarbonylContact C-O 3.58Å; S484-V506 VanDerWaalsContact CA-O 3.31Å; S484-V506 WeakPolarHBondContact CA-O 3.17Å; S484-V506 VanDerWaalsContact CB-O 3.26Å; S484-V506 WeakPolarHBondContact CB-O 3.15Å; L485-V506 HydrophobicContact CB-CB 4.37Å; L485-V506 PolarHBondContact N-O 3.25Å; L485-V506 PolarHBondContact O-N 2.79Å; I487-V506 HydrophobicContact CD1-CG2 3.83Å; V506-G514 WeakPolarHBondContact CA-O 3.2Å; V506-G514 WeakPolarHBondContact CG1-O 3.36Å; V506-W518 HydrophobicContact CG1-CB 4.09Å; V506-W518 HydrophobicContact CG1-CD2 4.38Å; V506-W518 HydrophobicContact CG1-CE3 3.65Å; V506-W518 HydrophobicContact CG1-CZ3 4.43Å |
| 507 | G | 93.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 147.8 | -180 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | D509 A510 G514 | G507-D509 VanDerWaalsContact C-N 3.33Å; G507-D509 PolarHBondContact O-N 3.04Å; G507-A510 WeakPolarHBondContact O-CB 3.17Å; G507-A510 PolarHBondContact O-N 2.9Å; G507-G514 PolarHBondContact N-O 3.32Å |
| 508 | N | 89.1 | Confident | 90.6 | Very high | 82 Ų | 82 | 50.4 Ų | 50.4 | 44% | 0.439 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -39.2 | -178.1 | -154 | 24.7 | 0 | 0 | 0 | 112.3 | A510 R515 | N508-A510 VanDerWaalsContact C-N 3.3Å; N508-A510 PolarHBondContact O-N 3.03Å; N508-R515 WeakPolarHBondContact O-CD 3.48Å; N508-R515 PolarHBondContact O-NE 2.63Å; N508-R515 VanDerWaalsContact O-NE 3.12Å |
| 509 | D | 84.5 | Confident | 91 | Very high | 124 Ų | 124 | 50.7 Ų | 50.7 | 66% | 0.663 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | 8.2 | 179.2 | -51.4 | -42.7 | 0 | 0 | 0 | 114.1 | G507 | G507-D509 VanDerWaalsContact C-N 3.33Å; G507-D509 PolarHBondContact O-N 3.04Å |
| 510 | A | 85.8 | Confident | 91.4 | Very high | 3 Ų | 3 | 48.2 Ų | 48.2 | 3% | 0.025 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -80.1 | 164.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | R505 G507 N508 R515 | R505-A510 HydrophobicContact CB-CB 4.27Å; G507-A510 WeakPolarHBondContact O-CB 3.17Å; G507-A510 PolarHBondContact O-N 2.9Å; N508-A510 VanDerWaalsContact C-N 3.3Å; N508-A510 PolarHBondContact O-N 3.03Å; A510-R515 VanDerWaalsContact O-CZ 3.28Å; A510-R515 PolarHBondContact O-NE 2.99Å; A510-R515 PolarHBondContact O-NH2 3.31Å |
| 511 | D | 78.2 | Confident | 91.6 | Very high | 124 Ų | 124 | 46.4 Ų | 46.4 | 66% | 0.663 | 24% | 0.239 | S | C | * | . | trans | -64.9 | 165 | 169.6 | -49 | -71.4 | 0 | 0 | 0 | 111.3 | L513 G514 R515 | D511-L513 PolarHBondContact O-N 2.83Å; D511-G514 CarbonylContact O-C 3.58Å; D511-G514 WeakPolarHBondContact O-CA 3.12Å; D511-G514 PolarHBondContact O-N 2.75Å; D511-R515 PolarHBondContact O-N 3.03Å | ||
| 512 | S | 79.6 | Confident | 91.8 | Very high | 75 Ų | 75 | 49.4 Ų | 49.4 | 52% | 0.524 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -35.9 | -69.2 | -166.9 | 50.8 | 0 | 0 | 0 | 0 | 114.9 | G514 R515 E516 | S512-G514 VanDerWaalsContact C-N 3.28Å; S512-G514 PolarHBondContact O-N 2.71Å; S512-R515 WeakPolarHBondContact O-CB 3.06Å; S512-R515 PolarHBondContact O-N 2.86Å; S512-E516 WeakPolarHBondContact O-CB 3.31Å; S512-E516 VanDerWaalsContact O-CG 3.29Å; S512-E516 WeakPolarHBondContact O-CG 3.5Å; S512-E516 PolarHBondContact O-N 3.38Å |
| 513 | L | 89.1 | Confident | 91.9 | Very high | 82 Ų | 82 | 53.3 Ų | 53.3 | 43% | 0.429 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.3 | -38.2 | -178.3 | -63.6 | 175.1 | 0 | 0 | 0 | 112.9 | D511 R515 H517 H533 P534 | D511-L513 PolarHBondContact O-N 2.83Å; L513-R515 VanDerWaalsContact C-N 3.31Å; L513-R515 PolarHBondContact O-N 3.43Å; L513-H517 VanDerWaalsContact O-CB 3.31Å; L513-H517 WeakPolarHBondContact O-CB 3.48Å; L513-H517 PolarHBondContact O-N 2.8Å; L513-H533 PolarHBondContact O-CE1 3.24Å; L513-P534 HydrophobicContact CD1-CG 4.43Å |
| 514 | G | 92.2 | Very high | 91.8 | Very high | 5 Ų | 5 | 58.7 Ų | 58.7 | 5% | 0.052 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.3 | -31 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | R505 V506 G507 D511 S512 | R505-G514 VanDerWaalsContact O-CA 3.32Å; R505-G514 WeakPolarHBondContact O-CA 3.36Å; V506-G514 WeakPolarHBondContact CA-O 3.2Å; V506-G514 WeakPolarHBondContact CG1-O 3.36Å; G507-G514 PolarHBondContact N-O 3.32Å; D511-G514 CarbonylContact O-C 3.58Å; D511-G514 WeakPolarHBondContact O-CA 3.12Å; D511-G514 PolarHBondContact O-N 2.75Å; S512-G514 VanDerWaalsContact C-N 3.28Å; S512-G514 PolarHBondContact O-N 2.71Å |
| 515 | R | 94 | Very high | 91.7 | Very high | 122 Ų | 122 | 60.4 Ų | 60.4 | 46% | 0.46 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -84 | -40.6 | 176.3 | -166.8 | -175.5 | -53.6 | -146.5 | -3.9 | 112 | N508 A510 D511 S512 L513 W518 S519 | N508-R515 WeakPolarHBondContact O-CD 3.48Å; N508-R515 PolarHBondContact O-NE 2.63Å; N508-R515 VanDerWaalsContact O-NE 3.12Å; A510-R515 VanDerWaalsContact O-CZ 3.28Å; A510-R515 PolarHBondContact O-NE 2.99Å; A510-R515 PolarHBondContact O-NH2 3.31Å; D511-R515 PolarHBondContact O-N 3.03Å; S512-R515 WeakPolarHBondContact O-CB 3.06Å; S512-R515 PolarHBondContact O-N 2.86Å; L513-R515 VanDerWaalsContact C-N 3.31Å; L513-R515 PolarHBondContact O-N 3.43Å; R515-W518 PolarHBondContact O-N 3.25Å; R515-S519 WeakPolarHBondContact O-CB 3.5Å; R515-S519 PolarHBondContact O-N 2.58Å |
| 516 | E | 93.9 | Very high | 91.7 | Very high | 114 Ų | 114 | 64 Ų | 64 | 53% | 0.533 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.6 | -47.7 | 176.2 | -73.8 | 160.3 | -151 | 0 | 0 | 111 | S512 W518 S519 E520 | S512-E516 WeakPolarHBondContact O-CB 3.31Å; S512-E516 VanDerWaalsContact O-CG 3.29Å; S512-E516 WeakPolarHBondContact O-CG 3.5Å; S512-E516 PolarHBondContact O-N 3.38Å; E516-W518 VanDerWaalsContact C-N 3.3Å; E516-W518 PolarHBondContact O-N 3.07Å; E516-S519 PolarHBondContact O-N 2.68Å; E516-E520 WeakPolarHBondContact O-CB 3.38Å; E516-E520 PolarHBondContact O-N 2.82Å |
| 517 | H | 96.4 | Very high | 91.6 | Very high | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.009 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.3 | -35.9 | 175.7 | -170.5 | -173.8 | 0 | 0 | 0 | 112.4 | F406 L408 L513 M521 V529 H531 H533 | F406-H517 AromaticContact CD2-CE1 3.6Å; F406-H517 AromaticContact CE2-CE1 3.34Å; F406-H517 WeakPolarHBondContact CE2-CE1 3.44Å; F406-H517 AromaticContact CE2-ND1 3.37Å; F406-H517 WeakPolarHBondContact CE2-ND1 3.34Å; F406-H517 AromaticContact CZ-ND1 3.8Å; F406-H517 PolarHBondContact O-CE1 2.95Å; L408-H517 HydrophobicContact CD1-CB 4.41Å; L513-H517 VanDerWaalsContact O-CB 3.31Å; L513-H517 WeakPolarHBondContact O-CB 3.48Å; L513-H517 PolarHBondContact O-N 2.8Å; H517-M521 WeakPolarHBondContact O-CB 3.37Å; H517-M521 PolarHBondContact O-N 2.98Å; H517-M521 VanDerWaalsContact O-N 3.14Å; H517-V529 PolarHBondContact NE2-O 3.02Å; H517-H531 AromaticContact CD2-CD2 3.44Å; H517-H531 PolarHBondContact CD2-CD2 2.94Å; H517-H531 VanDerWaalsContact CD2-CD2 3.44Å; H517-H531 AromaticContact CG-CD2 3.77Å; H517-H531 AromaticContact NE2-CD2 3.82Å; H517-H533 AromaticContact CE1-NE2 3.97Å; H517-H533 AromaticContact CG-NE2 3.73Å; H517-H533 AromaticContact ND1-CD2 3.88Å; H517-H533 AromaticContact ND1-CE1 3.78Å; H517-H533 AromaticContact ND1-NE2 3Å; H517-H533 PolarHBondContact ND1-NE2 3.41Å |
| 518 | W | 96.4 | Very high | 91.8 | Very high | 4 Ų | 4 | 73 Ų | 73 | 2% | 0.015 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -68.5 | -44.9 | 174.7 | -166.2 | -108.8 | 0 | 0 | 0 | 111.8 | L408 L417 I480 I483 L485 V506 R515 E516 M521 L522 | L408-W518 HydrophobicContact CD1-CE3 4.24Å; L417-W518 HydrophobicContact CD1-CH2 4.4Å; L417-W518 HydrophobicContact CD1-CZ3 4.26Å; L417-W518 HydrophobicContact CD2-CH2 3.71Å; L417-W518 HydrophobicContact CD2-CZ3 4.04Å; I480-W518 HydrophobicContact CD1-CH2 4.29Å; I480-W518 HydrophobicContact CD1-CZ2 3.92Å; I480-W518 HydrophobicContact CG1-CZ2 4.32Å; I483-W518 HydrophobicContact CD1-CH2 3.73Å; I483-W518 HydrophobicContact CD1-CZ2 3.95Å; I483-W518 HydrophobicContact CG1-CH2 4.15Å; I483-W518 HydrophobicContact CG1-CZ2 3.89Å; L485-W518 HydrophobicContact CD1-CZ3 4.27Å; L485-W518 HydrophobicContact CG-CZ3 4.28Å; V506-W518 HydrophobicContact CG1-CB 4.09Å; V506-W518 HydrophobicContact CG1-CD2 4.38Å; V506-W518 HydrophobicContact CG1-CE3 3.65Å; V506-W518 HydrophobicContact CG1-CZ3 4.43Å; R515-W518 PolarHBondContact O-N 3.25Å; E516-W518 VanDerWaalsContact C-N 3.3Å; E516-W518 PolarHBondContact O-N 3.07Å; W518-M521 HydrophobicContact CD2-CE 3.71Å; W518-M521 HydrophobicContact CE3-CE 3.57Å; W518-M521 HydrophobicContact CE3-SD 4.2Å; W518-M521 HydrophobicContact CG-CE 4.43Å; W518-M521 HydrophobicContact CH2-CE 4Å; W518-M521 HydrophobicContact CZ2-CE 4.07Å; W518-M521 HydrophobicContact CZ3-CE 3.74Å; W518-M521 HydrophobicContact CZ3-SD 4.19Å; W518-M521 WeakPolarHBondContact O-CB 3.47Å; W518-M521 PolarHBondContact O-N 2.99Å; W518-L522 WeakPolarHBondContact O-CG 3.44Å; W518-L522 PolarHBondContact O-N 3.47Å; W518-L522 VanDerWaalsContact O-N 3.08Å |
| 519 | S | 95.3 | Very high | 92.2 | Very high | 68 Ų | 68 | 69.2 Ų | 69.2 | 48% | 0.476 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 177 | -171.3 | 0 | 0 | 0 | 0 | 111.9 | R515 E516 M521 L522 T523 | R515-S519 WeakPolarHBondContact O-CB 3.5Å; R515-S519 PolarHBondContact O-N 2.58Å; E516-S519 PolarHBondContact O-N 2.68Å; S519-M521 PolarHBondContact O-N 3.33Å; S519-L522 PolarHBondContact O-N 3.05Å; S519-T523 WeakPolarHBondContact O-CB 3.32Å; S519-T523 PolarHBondContact O-N 2.94Å; S519-T523 PolarHBondContact O-OG1 3.36Å |
| 520 | E | 95.8 | Very high | 92.8 | Very high | 51 Ų | 51 | 66 Ų | 66 | 24% | 0.238 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 176.2 | -158.6 | -160.9 | 155.1 | 0 | 0 | 111.6 | E516 L522 T523 Y524 V529 H531 | E516-E520 WeakPolarHBondContact O-CB 3.38Å; E516-E520 PolarHBondContact O-N 2.82Å; E520-L522 VanDerWaalsContact C-N 3.32Å; E520-L522 PolarHBondContact O-N 2.96Å; E520-T523 PolarHBondContact O-N 3.39Å; E520-Y524 HydrophobicContact CG-CD2 3.75Å; E520-Y524 HydrophobicContact CG-CE2 3.83Å; E520-Y524 WeakPolarHBondContact O-CD2 3.37Å; E520-Y524 PolarHBondContact O-N 3.05Å; E520-V529 HydrophobicContact CG-CB 4.47Å; E520-V529 HydrophobicContact CG-CG1 3.93Å; E520-V529 VanDerWaalsContact OE1-CG1 3.29Å; E520-V529 WeakPolarHBondContact OE1-CG1 3.41Å; E520-H531 IonicContact OE2-CD2 2.77Å; E520-H531 IonicContact OE2-CE1 3.8Å; E520-H531 IonicContact OE2-NE2 2.79Å; E520-H531 PolarHBondContact OE2-NE2 3.05Å |
| 521 | M | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60 | -40.8 | 175.1 | 177.9 | -156.2 | 64.4 | 0 | 0 | 112 | L408 L417 H517 W518 S519 V529 | L408-M521 HydrophobicContact CB-CB 3.99Å; L408-M521 HydrophobicContact CB-CG 3.77Å; L408-M521 HydrophobicContact CB-SD 3.68Å; L408-M521 HydrophobicContact CD1-CB 4.43Å; L408-M521 HydrophobicContact CD1-SD 4.32Å; L408-M521 HydrophobicContact CG-SD 4.45Å; L417-M521 HydrophobicContact CD1-CE 4.23Å; L417-M521 HydrophobicContact CD1-SD 3.42Å; L417-M521 WeakPolarHBondContact CD1-SD 3.41Å; H517-M521 WeakPolarHBondContact O-CB 3.37Å; H517-M521 PolarHBondContact O-N 2.98Å; H517-M521 VanDerWaalsContact O-N 3.14Å; W518-M521 HydrophobicContact CD2-CE 3.71Å; W518-M521 HydrophobicContact CE3-CE 3.57Å; W518-M521 HydrophobicContact CE3-SD 4.2Å; W518-M521 HydrophobicContact CG-CE 4.43Å; W518-M521 HydrophobicContact CH2-CE 4Å; W518-M521 HydrophobicContact CZ2-CE 4.07Å; W518-M521 HydrophobicContact CZ3-CE 3.74Å; W518-M521 HydrophobicContact CZ3-SD 4.19Å; W518-M521 WeakPolarHBondContact O-CB 3.47Å; W518-M521 PolarHBondContact O-N 2.99Å; S519-M521 PolarHBondContact O-N 3.33Å; M521-V529 HydrophobicContact CB-CG2 3.78Å |
| 522 | L | 95 | Very high | 94 | Very high | 68 Ų | 68 | 67 Ų | 67 | 36% | 0.356 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -73.5 | -31.9 | 177.1 | -65.5 | 175.1 | 0 | 0 | 0 | 112.4 | Y410 I480 W518 S519 E520 | Y410-L522 HydrophobicContact CD1-CD2 4.16Å; I480-L522 HydrophobicContact CG1-CD2 3.68Å; W518-L522 WeakPolarHBondContact O-CG 3.44Å; W518-L522 PolarHBondContact O-N 3.47Å; W518-L522 VanDerWaalsContact O-N 3.08Å; S519-L522 PolarHBondContact O-N 3.05Å; E520-L522 VanDerWaalsContact C-N 3.32Å; E520-L522 PolarHBondContact O-N 2.96Å |
| 523 | T | 95.8 | Very high | 94.7 | Very high | 83 Ų | 83 | 63.7 Ų | 63.7 | 51% | 0.509 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -70.8 | -36.1 | 177.8 | -59.8 | 0 | 0 | 0 | 0 | 112.2 | S519 E520 P525 | S519-T523 WeakPolarHBondContact O-CB 3.32Å; S519-T523 PolarHBondContact O-N 2.94Å; S519-T523 PolarHBondContact O-OG1 3.36Å; E520-T523 PolarHBondContact O-N 3.39Å; T523-P525 VanDerWaalsContact O-CD 3.23Å; T523-P525 WeakPolarHBondContact O-CD 3.38Å |
| 524 | Y | 93.6 | Very high | 94.7 | Very high | 122 Ų | 122 | 63 Ų | 63 | 48% | 0.478 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -116.7 | 66.4 | 178.9 | -54.9 | -68.7 | 0 | 0 | 0 | 112.7 | E520 K527 | E520-Y524 HydrophobicContact CG-CD2 3.75Å; E520-Y524 HydrophobicContact CG-CE2 3.83Å; E520-Y524 WeakPolarHBondContact O-CD2 3.37Å; E520-Y524 PolarHBondContact O-N 3.05Å; Y524-K527 HydrophobicContact CG-CD 4.4Å; Y524-K527 VanDerWaalsContact O-CB 3.31Å; Y524-K527 WeakPolarHBondContact O-CB 3.35Å; Y524-K527 PolarHBondContact O-N 3.44Å; Y524-K527 VanDerWaalsContact O-N 3.09Å |
| 525 | P | 91.5 | Very high | 94.8 | Very high | 43 Ų | 43 | 63.2 Ų | 63.2 | 28% | 0.279 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 143.4 | -176.4 | 27.5 | -35.3 | 0 | 0 | 0 | 112 | P412 T523 K527 | P412-P525 HydrophobicContact CG-CB 4.28Å; T523-P525 VanDerWaalsContact O-CD 3.23Å; T523-P525 WeakPolarHBondContact O-CD 3.38Å; P525-K527 PolarHBondContact O-N 3Å |
| 526 | R | 92.8 | Very high | 94.5 | Very high | 171 Ų | 171 | 61.5 Ų | 61.5 | 65% | 0.645 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | -8.9 | -169.5 | -49.9 | 158.5 | -69.7 | -123.8 | -1.6 | 115.9 | C409 Y410 L411 | C409-R526 PolarHBondContact SG-O 2.97Å; Y410-R526 PolarHBondContact O-N 3.44Å; L411-R526 HydrophobicContact CG-CG 4.2Å |
| 527 | K | 94.6 | Very high | 94.1 | Very high | 105 Ų | 105 | 60 Ų | 60 | 46% | 0.457 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -89.1 | 129.9 | 171.4 | -174.3 | -166.3 | 172.1 | -159.9 | 0 | 108.9 | Y524 P525 V529 | Y524-K527 HydrophobicContact CG-CD 4.4Å; Y524-K527 VanDerWaalsContact O-CB 3.31Å; Y524-K527 WeakPolarHBondContact O-CB 3.35Å; Y524-K527 PolarHBondContact O-N 3.44Å; Y524-K527 VanDerWaalsContact O-N 3.09Å; P525-K527 PolarHBondContact O-N 3Å; K527-V529 HydrophobicContact CD-CG1 4.43Å; K527-V529 PolarHBondContact O-N 3.47Å |
| 528 | P | 96.6 | Very high | 93.3 | Very high | 84 Ų | 84 | 63.4 Ų | 63.4 | 55% | 0.545 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -70 | 116.2 | 164.9 | 29 | -31.2 | 0 | 0 | 0 | 109.5 | L408 C409 | L408-P528 WeakPolarHBondContact O-CA 3.5Å; C409-P528 HydrophobicContact CB-CB 4.34Å |
| 529 | V | 97.5 | Very high | 91.8 | Very high | 4 Ų | 4 | 71.2 Ų | 71.2 | 2% | 0.024 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 145.4 | 166.7 | -64.4 | 0 | 0 | 0 | 0 | 108.1 | S407 L408 H517 E520 M521 K527 | S407-V529 CarbonylContact C-O 3.39Å; S407-V529 WeakPolarHBondContact CA-O 3.47Å; S407-V529 WeakPolarHBondContact CB-O 3.41Å; L408-V529 HydrophobicContact CB-CG2 4.2Å; L408-V529 PolarHBondContact N-O 3.26Å; L408-V529 WeakPolarHBondContact O-CG2 3.37Å; L408-V529 PolarHBondContact O-N 3.4Å; H517-V529 PolarHBondContact NE2-O 3.02Å; E520-V529 HydrophobicContact CG-CB 4.47Å; E520-V529 HydrophobicContact CG-CG1 3.93Å; E520-V529 VanDerWaalsContact OE1-CG1 3.29Å; E520-V529 WeakPolarHBondContact OE1-CG1 3.41Å; M521-V529 HydrophobicContact CB-CG2 3.78Å; K527-V529 HydrophobicContact CD-CG1 4.43Å; K527-V529 PolarHBondContact O-N 3.47Å |
| 530 | A | 97.3 | Very high | 89.6 | Confident | 56 Ų | 56 | 70 Ų | 70 | 46% | 0.463 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 130.1 | -171 | 0 | 0 | 0 | 0 | 0 | 112 | F406 I422 | F406-A530 WeakPolarHBondContact O-CA 3.39Å; I422-A530 HydrophobicContact CD1-CB 4.3Å |
| 531 | H | 94.8 | Very high | 87 | Confident | 73 Ų | 73 | 71.7 Ų | 71.7 | 34% | 0.338 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 156.9 | -174.6 | -76.5 | -85.7 | 0 | 0 | 0 | 111.9 | M405 F406 H517 E520 | M405-H531 WeakPolarHBondContact CA-O 3.42Å; F406-H531 PolarHBondContact N-O 3.19Å; F406-H531 PolarHBondContact O-N 2.89Å; F406-H531 VanDerWaalsContact O-N 3.15Å; H517-H531 AromaticContact CD2-CD2 3.44Å; H517-H531 PolarHBondContact CD2-CD2 2.94Å; H517-H531 VanDerWaalsContact CD2-CD2 3.44Å; H517-H531 AromaticContact CG-CD2 3.77Å; H517-H531 AromaticContact NE2-CD2 3.82Å; E520-H531 IonicContact OE2-CD2 2.77Å; E520-H531 IonicContact OE2-CE1 3.8Å; E520-H531 IonicContact OE2-NE2 2.79Å; E520-H531 PolarHBondContact OE2-NE2 3.05Å |
| 532 | W | 94.9 | Very high | 83.7 | Confident | 76 Ų | 76 | 78.2 Ų | 78.2 | 29% | 0.288 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 138.3 | 163.9 | -72.2 | 99.1 | 0 | 0 | 0 | 109.8 | D403 M405 Q423 R425 | D403-W532 HydrophobicContact CB-CD2 4.4Å; D403-W532 HydrophobicContact CB-CE3 3.48Å; D403-W532 VanDerWaalsContact CB-CE3 3.48Å; D403-W532 HydrophobicContact CB-CZ3 3.96Å; M405-W532 HydrophobicContact CB-CD2 3.72Å; M405-W532 HydrophobicContact CB-CE3 3.59Å; M405-W532 HydrophobicContact CB-CG 4.41Å; M405-W532 HydrophobicContact CB-CH2 3.99Å; M405-W532 HydrophobicContact CB-CZ2 4.09Å; M405-W532 HydrophobicContact CB-CZ3 3.73Å; M405-W532 HydrophobicContact CG-CD2 3.89Å; M405-W532 HydrophobicContact CG-CE3 4.29Å; M405-W532 HydrophobicContact CG-CG 4.17Å; M405-W532 HydrophobicContact CG-CZ2 4.36Å; M405-W532 HydrophobicContact SD-CD2 4.08Å; M405-W532 HydrophobicContact SD-CG 4.44Å; M405-W532 HydrophobicContact SD-CH2 4.49Å; M405-W532 HydrophobicContact SD-CZ2 3.71Å; M405-W532 PolarHBondContact SD-NE1 2.96Å; M405-W532 VanDerWaalsContact SD-NE1 3.41Å; Q423-W532 HydrophobicContact CG-CH2 3.77Å; Q423-W532 HydrophobicContact CG-CZ2 4.33Å; Q423-W532 HydrophobicContact CG-CZ3 4.41Å; Q423-W532 VanDerWaalsContact NE2-CZ2 3.35Å; R425-W532 HydrophobicContact CB-CH2 4.13Å; R425-W532 HydrophobicContact CB-CZ3 4.2Å; R425-W532 HydrophobicContact CG-CE3 4.41Å; R425-W532 HydrophobicContact CG-CH2 3.84Å; R425-W532 HydrophobicContact CG-CZ3 3.63Å |
| 533 | H | 94.1 | Very high | 80.8 | Confident | 5 Ų | 5 | 80.3 Ų | 80.3 | 2% | 0.023 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 122.5 | 174.2 | -72.4 | -104.2 | 0 | 0 | 0 | 108.6 | D403 L404 F406 C504 L513 H517 | D403-H533 WeakPolarHBondContact CA-O 3.45Å; L404-H533 PolarHBondContact N-O 3.42Å; L404-H533 PolarHBondContact O-N 3.45Å; F406-H533 HydrophobicContact CE1-CB 3.94Å; F406-H533 AromaticContact CE1-CD2 3.4Å; F406-H533 VanDerWaalsContact CE1-CD2 3.4Å; F406-H533 WeakPolarHBondContact CE1-CD2 3.24Å; F406-H533 AromaticContact CE1-CG 3.6Å; F406-H533 HydrophobicContact CZ-CB 4.48Å; F406-H533 AromaticContact CZ-CD2 3.38Å; F406-H533 WeakPolarHBondContact CZ-CD2 3.33Å; F406-H533 AromaticContact CZ-CG 3.69Å; F406-H533 AromaticContact CZ-NE2 3.68Å; C504-H533 HydrophobicContact CB-CB 4.04Å; L513-H533 PolarHBondContact O-CE1 3.24Å; H517-H533 AromaticContact CE1-NE2 3.97Å; H517-H533 AromaticContact CG-NE2 3.73Å; H517-H533 AromaticContact ND1-CD2 3.88Å; H517-H533 AromaticContact ND1-CE1 3.78Å; H517-H533 AromaticContact ND1-NE2 3Å; H517-H533 PolarHBondContact ND1-NE2 3.41Å |
| 534 | P | 90.3 | Very high | 77.5 | Confident | 66 Ų | 66 | 81.1 Ų | 81.1 | 43% | 0.429 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 143.8 | 171.1 | 28.8 | -34.2 | 0 | 0 | 0 | 109.4 | D403 L513 | D403-P534 WeakPolarHBondContact OD1-CA 3.18Å; L513-P534 HydrophobicContact CD1-CG 4.43Å |
| 535 | L | 92.7 | Very high | 74.5 | Confident | 10 Ų | 10 | 81.1 Ų | 81.1 | 5% | 0.052 | 46% | 0.461 | C | S | . | . | trans | -89 | 129.2 | 177.7 | -62.8 | 171 | 0 | 0 | 0 | 110 | L401 G402 L404 L427 V489 | L401-L535 HydrophobicContact CB-CB 3.87Å; G402-L535 VanDerWaalsContact O-CB 3.26Å; G402-L535 WeakPolarHBondContact O-CB 3.21Å; G402-L535 VanDerWaalsContact O-CG 3.26Å; G402-L535 WeakPolarHBondContact O-CG 3.47Å; G402-L535 PolarHBondContact O-N 3.44Å; L404-L535 HydrophobicContact CB-CD2 4.04Å; L404-L535 HydrophobicContact CB-CG 4.42Å; L427-L535 HydrophobicContact CD2-CD1 3.5Å; V489-L535 HydrophobicContact CB-CD1 4.03Å; V489-L535 HydrophobicContact CG2-CD1 3.66Å; V489-L535 HydrophobicContact CG2-CD2 3.85Å; V489-L535 HydrophobicContact CG2-CG 4.43Å | ||
| 536 | V | 89.1 | Confident | 71.6 | Confident | 87 Ų | 87 | 87.1 Ų | 87.1 | 53% | 0.527 | 49% | 0.485 | S | S | . | . | B | Isolated β-bridge | trans | -104.8 | 160.9 | 175.3 | -60.6 | 0 | 0 | 0 | 0 | 111.2 | G502 V503 Y538 | G502-V536 WeakPolarHBondContact CA-O 3.17Å; V503-V536 HydrophobicContact CG2-CG2 4.07Å; V503-V536 PolarHBondContact N-O 2.62Å; V503-V536 WeakPolarHBondContact O-CG2 3.33Å; V503-V536 PolarHBondContact O-N 2.94Å; V536-Y538 PolarHBondContact O-N 2.89Å |
| 537 | E | 84.8 | Confident | 68.8 | Low | 81 Ų | 81 | 83.2 Ų | 83.2 | 38% | 0.379 | 50% | 0.498 | S | S | . | . | trans | -62.2 | 138.1 | 179.2 | -178.2 | 168.8 | -170.1 | 0 | 0 | 110.9 | R363 S396 L401 Q539 | R363-E537 IonicContact CZ-OE1 3.06Å; R363-E537 IonicContact NH1-OE1 2.67Å; R363-E537 PolarHBondContact NH1-OE1 2.83Å; S396-E537 VanDerWaalsContact CB-OE2 3.28Å; S396-E537 WeakPolarHBondContact CB-OE2 3.33Å; S396-E537 PolarHBondContact OG-OE2 2.91Å; L401-E537 HydrophobicContact CD1-CB 4.41Å; E537-Q539 VanDerWaalsContact C-N 3.32Å; E537-Q539 PolarHBondContact O-N 2.9Å | ||
| 538 | Y | 78.9 | Confident | 65.6 | Low | 74 Ų | 74 | 80.3 Ų | 80.3 | 29% | 0.29 | 50% | 0.498 | S | S | . | . | trans | -69.5 | 89.5 | 172.5 | -176.4 | -112.2 | 0 | 0 | 0 | 111 | R363 L486 V500 V503 V536 G540 | R363-Y538 PolarHBondContact NH1-O 3.27Å; R363-Y538 VanDerWaalsContact NH1-O 3.1Å; L486-Y538 HydrophobicContact CD2-CE2 4.36Å; V500-Y538 HydrophobicContact CG1-CG 4.43Å; V500-Y538 HydrophobicContact CG2-CD1 4.4Å; V503-Y538 HydrophobicContact CG1-CD2 3.72Å; V503-Y538 HydrophobicContact CG1-CG 4.24Å; V503-Y538 HydrophobicContact CG2-CD2 4.32Å; V536-Y538 PolarHBondContact O-N 2.89Å; Y538-G540 PolarHBondContact O-N 3.48Å | ||
| 539 | Q | 64.6 | Low | 62.5 | Low | 168 Ų | 168 | 81.6 Ų | 81.6 | 79% | 0.785 | 51% | 0.509 | S | S | * | . | trans | -65.7 | 105.4 | 160.5 | -64.1 | -174 | 8.8 | 0 | 0 | 108.1 | E537 T541 | E537-Q539 VanDerWaalsContact C-N 3.32Å; E537-Q539 PolarHBondContact O-N 2.9Å; Q539-T541 PolarHBondContact O-N 3.4Å | ||
| 540 | G | 50.3 | Low | 59.3 | Low | 44 Ų | 44 | 86 Ų | 86 | 45% | 0.454 | 54% | 0.538 | S | S | . | . | trans | -70.4 | 101.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y538 T542 | Y538-G540 PolarHBondContact O-N 3.48Å; G540-T542 PolarHBondContact O-N 2.88Å | ||
| 541 | T | 40.4 | Very low | 56.3 | Low | 86 Ų | 86 | 90.2 Ų | 90.2 | 53% | 0.528 | 55% | 0.554 | S | S | . | * | trans | -60.9 | 100.9 | 171.1 | 53.3 | 0 | 0 | 0 | 0 | 109.6 | Q539 S543 | Q539-T541 PolarHBondContact O-N 3.4Å; T541-S543 VanDerWaalsContact C-N 3.31Å; T541-S543 PolarHBondContact O-N 3.2Å | ||
| 542 | T | 28.3 | Very low | 53.4 | Low | 137 Ų | 137 | 92.3 Ų | 92.3 | 84% | 0.84 | 58% | 0.576 | S | S | * | * | trans | -67.9 | 88.8 | 173.3 | 38.5 | 0 | 0 | 0 | 0 | 108.8 | G540 S544 | G540-T542 PolarHBondContact O-N 2.88Å; T542-S544 VanDerWaalsContact C-N 3.26Å; T542-S544 PolarHBondContact O-N 2.88Å | ||
| 543 | S | 33.3 | Very low | 50.7 | Low | 111 Ų | 111 | 95.9 Ų | 95.9 | 78% | 0.776 | 60% | 0.6 | S | S | * | * | trans | -67.7 | 85.2 | 177.8 | 61.3 | 0 | 0 | 0 | 0 | 110.1 | T541 S545 | T541-S543 VanDerWaalsContact C-N 3.31Å; T541-S543 PolarHBondContact O-N 3.2Å; S543-S545 PolarHBondContact O-N 3.35Å | ||
| 544 | S | 26.3 | Very low | 47.8 | Very low | 100 Ų | 100 | 105.2 Ų | 105.2 | 70% | 0.699 | 64% | 0.641 | S | S | * | * | trans | -56.2 | 125.8 | 166.6 | 53.7 | 0 | 0 | 0 | 0 | 108.3 | T542 Q546 | T542-S544 VanDerWaalsContact C-N 3.26Å; T542-S544 PolarHBondContact O-N 2.88Å; S544-Q546 VanDerWaalsContact C-N 3.26Å; S544-Q546 PolarHBondContact O-N 3.38Å | ||
| 545 | S | 31.7 | Very low | 45.1 | Very low | 123 Ų | 123 | 106 Ų | 106 | 86% | 0.86 | 65% | 0.653 | S | S | * | * | trans | -79.4 | 70.7 | -169.1 | 56.5 | 0 | 0 | 0 | 0 | 111.8 | S543 G547 | S543-S545 PolarHBondContact O-N 3.35Å; S545-G547 PolarHBondContact O-N 3.37Å | ||
| 546 | Q | 30.1 | Very low | 42.8 | Very low | 169 Ų | 169 | 111 Ų | 111 | 79% | 0.79 | 69% | 0.685 | S | S | * | * | trans | -72.2 | 110.8 | 165.3 | -73.1 | -162.6 | -6.7 | 0 | 0 | 109.9 | R449 S544 G548 | R449-Q546 PolarHBondContact NH2-O 3.49Å; S544-Q546 VanDerWaalsContact C-N 3.26Å; S544-Q546 PolarHBondContact O-N 3.38Å; Q546-G548 VanDerWaalsContact C-N 3.29Å; Q546-G548 PolarHBondContact O-N 2.74Å | ||
| 547 | G | 33.8 | Very low | 40.7 | Very low | 88 Ų | 88 | 112.7 Ų | 112.7 | 91% | 0.907 | 70% | 0.699 | S | S | * | * | trans | -73.7 | 68.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S545 | S545-G547 PolarHBondContact O-N 3.37Š| ||
| 548 | G | 28.2 | Very low | 38.5 | Very low | 44 Ų | 44 | 114.1 Ų | 114.1 | 45% | 0.454 | 72% | 0.718 | S | S | . | * | trans | -81.6 | 111.2 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | R449 Q546 C550 | R449-G548 VanDerWaalsContact CZ-O 3.32Å; R449-G548 PolarHBondContact NH1-O 2.89Å; R449-G548 PolarHBondContact NH2-O 2.96Å; Q546-G548 VanDerWaalsContact C-N 3.29Å; Q546-G548 PolarHBondContact O-N 2.74Å; G548-C550 PolarHBondContact O-N 3.01Å; G548-C550 VanDerWaalsContact O-N 3.16Å | ||
| 549 | S | 30.3 | Very low | 37.3 | Very low | 111 Ų | 111 | 120.2 Ų | 120.2 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | -72 | 103.6 | 179.8 | -177.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 550 | C | 32 | Very low | 35.9 | Very low | 96 Ų | 96 | 117.8 Ų | 117.8 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 116.4 | 169.2 | 52.3 | 0 | 0 | 0 | 0 | 109.2 | R449 G548 | R449-C550 PolarHBondContact NH1-SG 3.33Å; R449-C550 VanDerWaalsContact NH1-SG 3.4Å; G548-C550 PolarHBondContact O-N 3.01Å; G548-C550 VanDerWaalsContact O-N 3.16Å |
| 551 | N | 32.5 | Very low | 35.2 | Very low | 146 Ų | 146 | 121.7 Ų | 121.7 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 138.4 | -177.5 | -74.3 | -33.6 | 0 | 0 | 0 | 111.5 | L553 | N551-L553 PolarHBondContact O-N 3.42Š|
| 552 | S | 34.8 | Very low | 34.9 | Very low | 116 Ų | 116 | 123.7 Ų | 123.7 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 129.5 | -179.9 | -167.6 | 0 | 0 | 0 | 0 | 111 | K554 | S552-K554 PolarHBondContact O-N 3.36Š|
| 553 | L | 38.3 | Very low | 35.2 | Very low | 152 Ų | 152 | 122.9 Ų | 122.9 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -62 | 118.2 | 176.6 | -73.3 | 169.7 | 0 | 0 | 0 | 109.7 | N551 A555 | N551-L553 PolarHBondContact O-N 3.42Å; L553-A555 PolarHBondContact O-N 3.18Å |
| 554 | K | 32.7 | Very low | 35.4 | Very low | 201 Ų | 201 | 123.6 Ų | 123.6 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 118.6 | -173.3 | -165.2 | 176 | -175.6 | -179.4 | 0 | 109.7 | S552 | S552-K554 PolarHBondContact O-N 3.36Š|
| 555 | A | 34.9 | Very low | 36 | Very low | 83 Ų | 83 | 125.2 Ų | 125.2 | 69% | 0.686 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 142.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L553 | L553-A555 PolarHBondContact O-N 3.18Š|
| 556 | P | 42.7 | Very low | 36.3 | Very low | 113 Ų | 113 | 125.4 Ų | 125.4 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 147.3 | 173.6 | 29.8 | -34.7 | 0 | 0 | 0 | 110.4 | ||
| 557 | P | 45.1 | Very low | 36.8 | Very low | 124 Ų | 124 | 122 Ų | 122 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 134.4 | 170.6 | 29.8 | -33.2 | 0 | 0 | 0 | 110.2 | ||
| 558 | S | 38.4 | Very low | 37 | Very low | 111 Ų | 111 | 124.8 Ų | 124.8 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 153 | 161.5 | -59.3 | 0 | 0 | 0 | 0 | 110.2 | ||
| 559 | P | 54.3 | Low | 37.8 | Very low | 201 Ų | 201 | 132.2 Ų | 132.2 | 100% | 1.305 | 82% | 0.818 | S | S | * | * | trans | -68.7 | 0 | 175 | 31.6 | -36.9 | 0 | 0 | 0 | 113.1 |
Retrieved 559 of 559 residues in 191.2 ms
(Link to these results)