| 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 | 55.9 | Low | 60.4 | Low | 193 Ų | 193 | 108.8 Ų | 108.8 | 95% | 0.951 | 58% | 0.581 | S | S | * | * | 0 | -81.5 | 0 | -79.7 | -173.2 | -87.5 | 0 | 0 | 112.9 | V3 L4 I5 | M1-V3 PolarHBondContact O-N 3.32Å; M1-V3 VanDerWaalsContact O-N 3.14Å; M1-L4 CarbonylContact O-C 3.54Å; M1-L4 WeakPolarHBondContact O-CA 3.3Å; M1-L4 VanDerWaalsContact O-CB 3.29Å; M1-L4 WeakPolarHBondContact O-CB 3.3Å; M1-L4 PolarHBondContact O-N 3.15Å; M1-I5 HydrophobicContact CB-CD1 4.48Å; M1-I5 PolarHBondContact O-N 3.36Å | |||
| 2 | K | 57.2 | Low | 59.3 | Low | 189 Ų | 189 | 106.6 Ų | 106.6 | 82% | 0.822 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -48.3 | -47.6 | -170.1 | -67.6 | -172 | 178.8 | -176 | 0 | 115.5 | L4 I5 A6 | K2-L4 VanDerWaalsContact C-N 3.34Å; K2-L4 PolarHBondContact O-N 3.26Å; K2-I5 PolarHBondContact O-N 3.05Å; K2-A6 PolarHBondContact O-N 3.32Å |
| 3 | V | 64.8 | Low | 58 | Low | 125 Ų | 125 | 107.4 Ų | 107.4 | 76% | 0.758 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.5 | -35.8 | 176.6 | -176.7 | 0 | 0 | 0 | 0 | 112.7 | M1 A6 A7 | M1-V3 PolarHBondContact O-N 3.32Å; M1-V3 VanDerWaalsContact O-N 3.14Å; V3-A6 PolarHBondContact O-N 3.13Å; V3-A7 WeakPolarHBondContact O-CB 3.39Å; V3-A7 PolarHBondContact O-N 3.35Å |
| 4 | L | 65.4 | Low | 56.6 | Low | 116 Ų | 116 | 110.9 Ų | 110.9 | 61% | 0.607 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -70.3 | -35.2 | 176 | -116.2 | 165.1 | 0 | 0 | 0 | 111.9 | M1 K2 L8 | M1-L4 CarbonylContact O-C 3.54Å; M1-L4 WeakPolarHBondContact O-CA 3.3Å; M1-L4 VanDerWaalsContact O-CB 3.29Å; M1-L4 WeakPolarHBondContact O-CB 3.3Å; M1-L4 PolarHBondContact O-N 3.15Å; K2-L4 VanDerWaalsContact C-N 3.34Å; K2-L4 PolarHBondContact O-N 3.26Å; L4-L8 HydrophobicContact CD2-CD1 4.49Å; L4-L8 WeakPolarHBondContact O-CB 3.41Å; L4-L8 VanDerWaalsContact O-CG 3.28Å; L4-L8 WeakPolarHBondContact O-CG 3.3Å; L4-L8 PolarHBondContact O-N 3.5Å |
| 5 | I | 69.1 | Low | 55.4 | Low | 94 Ų | 94 | 112.1 Ų | 112.1 | 48% | 0.482 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -70.5 | -40 | 173.6 | -63.9 | 166.7 | 0 | 0 | 0 | 110.2 | M1 K2 L8 L9 | M1-I5 HydrophobicContact CB-CD1 4.48Å; M1-I5 PolarHBondContact O-N 3.36Å; K2-I5 PolarHBondContact O-N 3.05Å; I5-L8 PolarHBondContact O-N 2.85Å; I5-L9 HydrophobicContact CG2-CD1 4.05Å; I5-L9 WeakPolarHBondContact O-CB 3.26Å; I5-L9 VanDerWaalsContact O-CG 3.31Å; I5-L9 WeakPolarHBondContact O-CG 3.16Å; I5-L9 PolarHBondContact O-N 2.97Å |
| 6 | A | 64.4 | Low | 54.7 | Low | 48 Ų | 48 | 109.4 Ų | 109.4 | 40% | 0.397 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.2 | -41.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K2 V3 L9 L10 | K2-A6 PolarHBondContact O-N 3.32Å; V3-A6 PolarHBondContact O-N 3.13Å; A6-L9 PolarHBondContact O-N 3.26Å; A6-L10 WeakPolarHBondContact O-CB 3.35Å; A6-L10 VanDerWaalsContact O-CG 3.31Å; A6-L10 WeakPolarHBondContact O-CG 3.32Å; A6-L10 PolarHBondContact O-N 3.06Å |
| 7 | A | 63.7 | Low | 54.3 | Low | 40 Ų | 40 | 108 Ų | 108 | 33% | 0.331 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.8 | -44.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V3 L9 L10 I11 | V3-A7 WeakPolarHBondContact O-CB 3.39Å; V3-A7 PolarHBondContact O-N 3.35Å; A7-L9 VanDerWaalsContact C-N 3.34Å; A7-L9 PolarHBondContact O-N 3.03Å; A7-L10 PolarHBondContact O-N 3.29Å; A7-I11 WeakPolarHBondContact O-CB 3.43Å; A7-I11 WeakPolarHBondContact O-CD1 3.43Å; A7-I11 VanDerWaalsContact O-CG1 3.23Å; A7-I11 WeakPolarHBondContact O-CG1 3.43Å; A7-I11 PolarHBondContact O-N 3.43Å |
| 8 | L | 62.7 | Low | 54.5 | Low | 98 Ų | 98 | 106.6 Ų | 106.6 | 51% | 0.513 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.7 | -39.9 | 173.8 | -77.3 | 164.9 | 0 | 0 | 0 | 111.9 | L4 I5 I11 T12 | L4-L8 HydrophobicContact CD2-CD1 4.49Å; L4-L8 WeakPolarHBondContact O-CB 3.41Å; L4-L8 VanDerWaalsContact O-CG 3.28Å; L4-L8 WeakPolarHBondContact O-CG 3.3Å; L4-L8 PolarHBondContact O-N 3.5Å; I5-L8 PolarHBondContact O-N 2.85Å; L8-I11 PolarHBondContact O-N 3.24Å; L8-T12 WeakPolarHBondContact O-CG2 3.48Å; L8-T12 PolarHBondContact O-N 2.92Å; L8-T12 PolarHBondContact O-OG1 3.45Å |
| 9 | L | 56.4 | Low | 55.6 | Low | 102 Ų | 102 | 102.2 Ų | 102.2 | 53% | 0.534 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.7 | -40.3 | 174.3 | -80 | 166.1 | 0 | 0 | 0 | 112.3 | I5 A6 A7 T12 L13 | I5-L9 HydrophobicContact CG2-CD1 4.05Å; I5-L9 WeakPolarHBondContact O-CB 3.26Å; I5-L9 VanDerWaalsContact O-CG 3.31Å; I5-L9 WeakPolarHBondContact O-CG 3.16Å; I5-L9 PolarHBondContact O-N 2.97Å; A6-L9 PolarHBondContact O-N 3.26Å; A7-L9 VanDerWaalsContact C-N 3.34Å; A7-L9 PolarHBondContact O-N 3.03Å; L9-T12 WeakPolarHBondContact CA-OG1 3.34Å; L9-T12 PolarHBondContact O-OG1 3.11Å; L9-T12 VanDerWaalsContact O-OG1 3.12Å; L9-L13 WeakPolarHBondContact O-CB 3.49Å; L9-L13 WeakPolarHBondContact O-CD1 3.05Å; L9-L13 PolarHBondContact O-N 3.02Å |
| 10 | L | 52.4 | Low | 56.9 | Low | 107 Ų | 107 | 99.6 Ų | 99.6 | 56% | 0.56 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.3 | -43.7 | 174.3 | -74.5 | 164.1 | 0 | 0 | 0 | 111.6 | A6 A7 L13 Q14 | A6-L10 WeakPolarHBondContact O-CB 3.35Å; A6-L10 VanDerWaalsContact O-CG 3.31Å; A6-L10 WeakPolarHBondContact O-CG 3.32Å; A6-L10 PolarHBondContact O-N 3.06Å; A7-L10 PolarHBondContact O-N 3.29Å; L10-L13 WeakPolarHBondContact O-CB 3.03Å; L10-L13 PolarHBondContact O-N 3.1Å; L10-L13 VanDerWaalsContact O-N 3.17Å; L10-Q14 WeakPolarHBondContact O-CG 3.46Å; L10-Q14 PolarHBondContact O-N 3.42Å |
| 11 | I | 52.6 | Low | 58.4 | Low | 85 Ų | 85 | 98.4 Ų | 98.4 | 44% | 0.436 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64 | -45.2 | 176.5 | -67.2 | 162.2 | 0 | 0 | 0 | 110.5 | A7 L8 L13 Q14 D15 | A7-I11 WeakPolarHBondContact O-CB 3.43Å; A7-I11 WeakPolarHBondContact O-CD1 3.43Å; A7-I11 VanDerWaalsContact O-CG1 3.23Å; A7-I11 WeakPolarHBondContact O-CG1 3.43Å; A7-I11 PolarHBondContact O-N 3.43Å; L8-I11 PolarHBondContact O-N 3.24Å; I11-L13 PolarHBondContact O-N 2.8Å; I11-Q14 CarbonylContact O-C 3.43Å; I11-Q14 WeakPolarHBondContact O-CA 3.32Å; I11-Q14 WeakPolarHBondContact O-CB 2.91Å; I11-Q14 PolarHBondContact O-N 2.99Å; I11-D15 PolarHBondContact O-N 3.22Å |
| 12 | T | 46.8 | Very low | 59.9 | Low | 82 Ų | 82 | 90.6 Ų | 90.6 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.4 | -16 | 175.1 | 55.3 | 0 | 0 | 0 | 0 | 113.9 | L8 L9 | L8-T12 WeakPolarHBondContact O-CG2 3.48Å; L8-T12 PolarHBondContact O-N 2.92Å; L8-T12 PolarHBondContact O-OG1 3.45Å; L9-T12 WeakPolarHBondContact CA-OG1 3.34Å; L9-T12 PolarHBondContact O-OG1 3.11Å; L9-T12 VanDerWaalsContact O-OG1 3.12Å |
| 13 | L | 42 | Very low | 61.5 | Low | 117 Ų | 117 | 84.3 Ų | 84.3 | 61% | 0.613 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -75.5 | -41 | 165 | -111.4 | 66.7 | 0 | 0 | 0 | 110.6 | L9 L10 I11 S16 | L9-L13 WeakPolarHBondContact O-CB 3.49Å; L9-L13 WeakPolarHBondContact O-CD1 3.05Å; L9-L13 PolarHBondContact O-N 3.02Å; L10-L13 WeakPolarHBondContact O-CB 3.03Å; L10-L13 PolarHBondContact O-N 3.1Å; L10-L13 VanDerWaalsContact O-N 3.17Å; I11-L13 PolarHBondContact O-N 2.8Å; L13-S16 WeakPolarHBondContact O-CB 3.3Å; L13-S16 PolarHBondContact O-N 2.66Å; L13-S16 VanDerWaalsContact O-N 3.13Å; L13-S16 PolarHBondContact O-OG 2.77Å |
| 14 | Q | 39.6 | Very low | 62.7 | Low | 156 Ų | 156 | 78.4 Ų | 78.4 | 73% | 0.729 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -70.2 | -26.6 | 178.9 | -69.5 | 179.3 | -73.6 | 0 | 0 | 113.7 | L10 I11 S16 | L10-Q14 WeakPolarHBondContact O-CG 3.46Å; L10-Q14 PolarHBondContact O-N 3.42Å; I11-Q14 CarbonylContact O-C 3.43Å; I11-Q14 WeakPolarHBondContact O-CA 3.32Å; I11-Q14 WeakPolarHBondContact O-CB 2.91Å; I11-Q14 PolarHBondContact O-N 2.99Å; Q14-S16 PolarHBondContact O-N 3.12Å |
| 15 | D | 38.8 | Very low | 63.8 | Low | 129 Ų | 129 | 76.5 Ų | 76.5 | 69% | 0.69 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | 7.7 | 169.3 | -74.5 | -36.1 | 0 | 0 | 0 | 113.4 | I11 C17 | I11-D15 PolarHBondContact O-N 3.22Å; D15-C17 PolarHBondContact O-N 2.8Å |
| 16 | S | 43 | Very low | 64.8 | Low | 70 Ų | 70 | 75.1 Ų | 75.1 | 49% | 0.49 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -76.5 | 115.9 | 164.8 | -54 | 0 | 0 | 0 | 0 | 109.3 | L13 Q14 A18 | L13-S16 WeakPolarHBondContact O-CB 3.3Å; L13-S16 PolarHBondContact O-N 2.66Å; L13-S16 VanDerWaalsContact O-N 3.13Å; L13-S16 PolarHBondContact O-OG 2.77Å; Q14-S16 PolarHBondContact O-N 3.12Å; S16-A18 PolarHBondContact O-N 2.96Å |
| 17 | C | 49.1 | Very low | 66.1 | Low | 85 Ų | 85 | 73.3 Ų | 73.3 | 57% | 0.574 | 44% | 0.44 | S | S | * | . | trans | -68.4 | 67.8 | 166.4 | -64.8 | 0 | 0 | 0 | 0 | 110.7 | D15 V19 Q495 | D15-C17 PolarHBondContact O-N 2.8Å; C17-V19 PolarHBondContact O-N 2.87Å; C17-V19 VanDerWaalsContact O-N 3.13Å; C17-Q495 HydrophobicContact CB-CG 4.3Å | ||
| 18 | A | 57.1 | Low | 67.4 | Low | 83 Ų | 83 | 73.6 Ų | 73.6 | 69% | 0.686 | 44% | 0.435 | S | S | * | . | trans | -74.6 | 100.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | S16 S20 | S16-A18 PolarHBondContact O-N 2.96Å; A18-S20 PolarHBondContact O-N 2.76Å | ||
| 19 | V | 75.4 | Confident | 68.8 | Low | 22 Ų | 22 | 72.1 Ų | 72.1 | 13% | 0.133 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -54 | 123.8 | 168.8 | -163.8 | 0 | 0 | 0 | 0 | 108.4 | C17 H57 D59 Y68 Q495 P498 | C17-V19 PolarHBondContact O-N 2.87Å; C17-V19 VanDerWaalsContact O-N 3.13Å; V19-H57 HydrophobicContact CB-CB 4.4Å; V19-H57 HydrophobicContact CG1-CB 3.51Å; V19-D59 HydrophobicContact CG1-CB 4.23Å; V19-Y68 HydrophobicContact CG1-CD2 3.41Å; V19-Y68 VanDerWaalsContact CG1-CD2 3.41Å; V19-Y68 HydrophobicContact CG1-CE2 3.58Å; V19-Y68 HydrophobicContact CG1-CG 4.33Å; V19-Y68 HydrophobicContact CG2-CE2 4.14Å; V19-Q495 HydrophobicContact CG2-CB 3.83Å; V19-Q495 HydrophobicContact CG2-CG 4.08Å; V19-P498 HydrophobicContact CB-CG 3.93Å; V19-P498 HydrophobicContact CG1-CG 4.1Å; V19-P498 HydrophobicContact CG2-CG 4.24Å |
| 20 | S | 82.6 | Confident | 70.5 | Confident | 51 Ų | 51 | 68.9 Ų | 68.9 | 36% | 0.357 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 125.1 | -172 | 58.8 | 0 | 0 | 0 | 0 | 111.5 | A18 H57 L58 | A18-S20 PolarHBondContact O-N 2.76Å; S20-H57 CarbonylContact O-C 3.56Å; S20-H57 VanDerWaalsContact O-CA 3.29Å; S20-H57 WeakPolarHBondContact O-CA 3.5Å; S20-L58 PolarHBondContact N-O 3.37Å; S20-L58 PolarHBondContact O-N 2.83Å; S20-L58 PolarHBondContact OG-O 2.85Å |
| 21 | P | 86.9 | Confident | 72.5 | Confident | 75 Ų | 75 | 63.8 Ų | 63.8 | 49% | 0.487 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 146.6 | 173.1 | -21.8 | 32.4 | 0 | 0 | 0 | 111.8 | H57 S502 | P21-H57 WeakPolarHBondContact CA-ND1 3.33Å; P21-S502 WeakPolarHBondContact CB-OG 3.36Å |
| 22 | T | 88.1 | Confident | 74.4 | Confident | 28 Ų | 28 | 62.4 Ų | 62.4 | 17% | 0.172 | 38% | 0.378 | C | S | . | . | trans | -132.8 | 164.1 | 178.8 | -158.6 | 0 | 0 | 0 | 0 | 112.5 | C24 I27 A56 L58 S502 S504 | T22-C24 PolarHBondContact O-N 3.41Å; T22-I27 HydrophobicContact CG2-CB 4.15Å; T22-I27 HydrophobicContact CG2-CG1 4.29Å; T22-I27 HydrophobicContact CG2-CG2 4.27Å; T22-A56 HydrophobicContact CG2-CB 3.63Å; T22-A56 PolarHBondContact N-O 3.43Å; T22-L58 HydrophobicContact CG2-CD1 4.22Å; T22-L58 HydrophobicContact CG2-CD2 4.26Å; T22-L58 HydrophobicContact CG2-CG 3.88Å; T22-S502 PolarHBondContact N-OG 3.15Å; T22-S502 PolarHBondContact O-OG 3.37Å; T22-S504 PolarHBondContact O-OG 3Å | ||
| 23 | D | 89.7 | Confident | 76.6 | Confident | 57 Ų | 57 | 61.6 Ų | 61.6 | 31% | 0.305 | 37% | 0.368 | S | S | . | . | trans | -69.5 | 122.9 | 175.6 | 167.3 | 35.2 | 0 | 0 | 0 | 111 | S25 A26 I27 S504 | D23-S25 VanDerWaalsContact CG-N 3.35Å; D23-S25 PolarHBondContact O-N 3.46Å; D23-S25 WeakPolarHBondContact OD1-CB 3.44Å; D23-S25 PolarHBondContact OD1-N 3.2Å; D23-S25 PolarHBondContact OD1-OG 3.09Å; D23-S25 WeakPolarHBondContact OD2-CB 3.42Å; D23-A26 HydrophobicContact CB-CB 4.06Å; D23-A26 PolarHBondContact O-N 3.09Å; D23-A26 VanDerWaalsContact OD2-CB 3.32Å; D23-A26 WeakPolarHBondContact OD2-CB 3.48Å; D23-A26 PolarHBondContact OD2-N 3.12Å; D23-I27 VanDerWaalsContact O-CG2 3.3Å; D23-I27 WeakPolarHBondContact O-CG2 3.35Å; D23-I27 PolarHBondContact O-N 3.03Å; D23-S504 WeakPolarHBondContact CA-OG 3.37Å | ||
| 24 | C | 91 | Very high | 79 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.007 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -22.8 | 175 | -90.4 | 0 | 0 | 0 | 0 | 113.4 | T22 V53 C505 | T22-C24 PolarHBondContact O-N 3.41Å; C24-V53 HydrophobicContact CB-CB 4.01Å; C24-V53 HydrophobicContact CB-CG1 4.24Å; C24-V53 VanDerWaalsContact SG-CG1 3.54Å; C24-V53 PolarHBondContact SG-O 2.87Å; C24-C505 HydrophobicContact CB-CB 4.1Å; C24-C505 WeakPolarHBondContact CB-SG 3.35Å; C24-C505 WeakPolarHBondContact SG-CB 3.33Å; C24-C505 CovalentContact SG-SG 2.03Å; C24-C505 PolarHBondContact SG-SG 3.04Å |
| 25 | S | 88.7 | Confident | 81.7 | Confident | 76 Ų | 76 | 48.6 Ų | 48.6 | 53% | 0.531 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -47.3 | 178.5 | -35.3 | 0 | 0 | 0 | 0 | 111.7 | D23 I27 E28 | D23-S25 VanDerWaalsContact CG-N 3.35Å; D23-S25 PolarHBondContact O-N 3.46Å; D23-S25 WeakPolarHBondContact OD1-CB 3.44Å; D23-S25 PolarHBondContact OD1-N 3.2Å; D23-S25 PolarHBondContact OD1-OG 3.09Å; D23-S25 WeakPolarHBondContact OD2-CB 3.42Å; S25-I27 VanDerWaalsContact C-N 3.25Å; S25-I27 PolarHBondContact O-N 3.05Å; S25-E28 WeakPolarHBondContact O-CB 3.49Å; S25-E28 PolarHBondContact O-N 3.25Å |
| 26 | A | 89.8 | Confident | 84.2 | Confident | 66 Ų | 66 | 43.6 Ų | 43.6 | 55% | 0.545 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -28.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D23 | D23-A26 HydrophobicContact CB-CB 4.06Å; D23-A26 PolarHBondContact O-N 3.09Å; D23-A26 VanDerWaalsContact OD2-CB 3.32Å; D23-A26 WeakPolarHBondContact OD2-CB 3.48Å; D23-A26 PolarHBondContact OD2-N 3.12Å |
| 27 | I | 91.3 | Very high | 86.5 | Confident | 10 Ų | 10 | 41.4 Ų | 41.4 | 5% | 0.051 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 1.1 | -177.1 | -158 | 58.7 | 0 | 0 | 0 | 114.4 | T22 D23 S25 P29 E30 A31 V53 A56 L58 Y67 L69 | T22-I27 HydrophobicContact CG2-CB 4.15Å; T22-I27 HydrophobicContact CG2-CG1 4.29Å; T22-I27 HydrophobicContact CG2-CG2 4.27Å; D23-I27 VanDerWaalsContact O-CG2 3.3Å; D23-I27 WeakPolarHBondContact O-CG2 3.35Å; D23-I27 PolarHBondContact O-N 3.03Å; S25-I27 VanDerWaalsContact C-N 3.25Å; S25-I27 PolarHBondContact O-N 3.05Å; I27-P29 VanDerWaalsContact C-CD 3.46Å; I27-E30 HydrophobicContact CD1-CB 3.78Å; I27-E30 HydrophobicContact CD1-CG 4.02Å; I27-E30 HydrophobicContact CG1-CB 4.25Å; I27-E30 PolarHBondContact O-N 3Å; I27-A31 PolarHBondContact O-N 3.08Å; I27-V53 HydrophobicContact CG2-CG1 4.03Å; I27-V53 HydrophobicContact CG2-CG2 4.29Å; I27-A56 HydrophobicContact CG2-CB 3.73Å; I27-L58 HydrophobicContact CD1-CD2 4.12Å; I27-Y67 HydrophobicContact CD1-CD1 3.72Å; I27-Y67 HydrophobicContact CD1-CE1 3.63Å; I27-Y67 HydrophobicContact CG1-CD1 4.45Å; I27-L69 HydrophobicContact CG1-CD2 3.96Å |
| 28 | E | 92 | Very high | 88.5 | Confident | 45 Ų | 45 | 37.4 Ų | 37.4 | 21% | 0.21 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.5 | -39.5 | -178.9 | -172.1 | 163.6 | -117.4 | 0 | 0 | 114.2 | S25 E30 A31 E32 L50 V53 K510 | S25-E28 WeakPolarHBondContact O-CB 3.49Å; S25-E28 PolarHBondContact O-N 3.25Å; E28-E30 VanDerWaalsContact C-N 3.34Å; E28-E30 PolarHBondContact O-N 3.25Å; E28-A31 WeakPolarHBondContact O-CB 3.42Å; E28-A31 PolarHBondContact O-N 2.79Å; E28-A31 VanDerWaalsContact O-N 3.16Å; E28-E32 HydrophobicContact CG-CG 4.43Å; E28-E32 PolarHBondContact O-N 2.78Å; E28-L50 HydrophobicContact CG-CD2 4.22Å; E28-V53 HydrophobicContact CB-CG2 4.43Å; E28-K510 VanDerWaalsContact OE1-CE 3.26Å; E28-K510 WeakPolarHBondContact OE1-CE 3.13Å; E28-K510 IonicContact OE1-NZ 3.81Å; E28-K510 PolarHBondContact OE1-NZ 3.2Å; E28-K510 WeakPolarHBondContact OE2-CE 3.48Å; E28-K510 IonicContact OE2-NZ 3Å; E28-K510 PolarHBondContact OE2-NZ 3.14Å |
| 29 | P | 92.1 | Very high | 90.2 | Very high | 67 Ų | 67 | 33.6 Ų | 33.6 | 44% | 0.435 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.2 | -36.1 | 177 | -23 | 35.2 | 0 | 0 | 0 | 113.5 | I27 K33 | I27-P29 VanDerWaalsContact C-CD 3.46Å; P29-K33 WeakPolarHBondContact O-CD 3.35Å; P29-K33 VanDerWaalsContact O-CG 3.22Å; P29-K33 WeakPolarHBondContact O-CG 3.37Å; P29-K33 PolarHBondContact O-N 3.04Å; P29-K33 VanDerWaalsContact O-N 3.15Å |
| 30 | E | 92.2 | Very high | 90.8 | Very high | 34 Ų | 34 | 35.4 Ų | 35.4 | 16% | 0.159 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.9 | -33.9 | 175.3 | -78.2 | 53.8 | -121.5 | 0 | 0 | 111.4 | I27 E28 K33 A34 Y67 L119 | I27-E30 HydrophobicContact CD1-CB 3.78Å; I27-E30 HydrophobicContact CD1-CG 4.02Å; I27-E30 HydrophobicContact CG1-CB 4.25Å; I27-E30 PolarHBondContact O-N 3Å; E28-E30 VanDerWaalsContact C-N 3.34Å; E28-E30 PolarHBondContact O-N 3.25Å; E30-K33 IonicContact OE1-NZ 2.89Å; E30-K33 PolarHBondContact OE1-NZ 2.73Å; E30-A34 VanDerWaalsContact O-CB 3.3Å; E30-A34 WeakPolarHBondContact O-CB 3.36Å; E30-A34 PolarHBondContact O-N 3.29Å; E30-Y67 HydrophobicContact CB-CE1 4.4Å; E30-Y67 HydrophobicContact CG-CE1 3.99Å; E30-L119 WeakPolarHBondContact O-CD2 3.32Å |
| 31 | A | 94 | Very high | 90.9 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.4 | -43.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I27 E28 A34 L35 L50 V53 L69 L71 | I27-A31 PolarHBondContact O-N 3.08Å; E28-A31 WeakPolarHBondContact O-CB 3.42Å; E28-A31 PolarHBondContact O-N 2.79Å; E28-A31 VanDerWaalsContact O-N 3.16Å; A31-A34 PolarHBondContact O-N 3.29Å; A31-L35 WeakPolarHBondContact O-CB 3.35Å; A31-L35 PolarHBondContact O-N 2.72Å; A31-L50 HydrophobicContact CB-CD2 4.11Å; A31-V53 HydrophobicContact CB-CG2 3.62Å; A31-L69 HydrophobicContact CB-CD1 4.24Å; A31-L71 HydrophobicContact CB-CD2 3.68Å |
| 32 | E | 93.3 | Very high | 90.9 | Very high | 56 Ų | 56 | 32.6 Ų | 32.6 | 26% | 0.262 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.4 | -43.2 | 176 | -70.6 | -177.7 | 176.3 | 0 | 0 | 111.2 | E28 L35 D36 L50 W86 K510 | E28-E32 HydrophobicContact CG-CG 4.43Å; E28-E32 PolarHBondContact O-N 2.78Å; E32-L35 PolarHBondContact O-N 3.02Å; E32-D36 PolarHBondContact O-N 2.91Å; E32-L50 HydrophobicContact CG-CD2 3.57Å; E32-W86 HydrophobicContact CG-CZ2 4.21Å; E32-K510 IonicContact OE1-NZ 2.74Å; E32-K510 PolarHBondContact OE1-NZ 3.45Å |
| 33 | K | 92 | Very high | 90.5 | Very high | 66 Ų | 66 | 39 Ų | 39 | 29% | 0.287 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.9 | -42.6 | 171.7 | -68.7 | 166.7 | -165.3 | 170.6 | 0 | 112.5 | P29 E30 L35 D36 L37 S116 L119 | P29-K33 WeakPolarHBondContact O-CD 3.35Å; P29-K33 VanDerWaalsContact O-CG 3.22Å; P29-K33 WeakPolarHBondContact O-CG 3.37Å; P29-K33 PolarHBondContact O-N 3.04Å; P29-K33 VanDerWaalsContact O-N 3.15Å; E30-K33 IonicContact OE1-NZ 2.89Å; E30-K33 PolarHBondContact OE1-NZ 2.73Å; K33-L35 VanDerWaalsContact C-N 3.32Å; K33-L35 PolarHBondContact O-N 3.46Å; K33-D36 PolarHBondContact O-N 2.65Å; K33-L37 WeakPolarHBondContact O-CG 3.46Å; K33-L37 PolarHBondContact O-N 2.8Å; K33-L37 VanDerWaalsContact O-N 3.1Å; K33-S116 PolarHBondContact NZ-O 2.97Å; K33-L119 HydrophobicContact CB-CD2 3.57Å; K33-L119 HydrophobicContact CD-CD2 4.34Å |
| 34 | A | 93.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64 | -38.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E30 A31 L37 I38 L69 V107 L119 V121 | E30-A34 VanDerWaalsContact O-CB 3.3Å; E30-A34 WeakPolarHBondContact O-CB 3.36Å; E30-A34 PolarHBondContact O-N 3.29Å; A31-A34 PolarHBondContact O-N 3.29Å; A34-L37 PolarHBondContact O-N 2.84Å; A34-I38 VanDerWaalsContact O-CG1 3.3Å; A34-I38 WeakPolarHBondContact O-CG1 3.27Å; A34-I38 PolarHBondContact O-N 3.2Å; A34-L69 HydrophobicContact CB-CD1 4.21Å; A34-V107 HydrophobicContact CB-CG1 4.46Å; A34-L119 HydrophobicContact CB-CD2 4.25Å; A34-V121 HydrophobicContact CB-CG2 4.16Å |
| 35 | L | 94.3 | Very high | 90 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.7 | -39.8 | 178.6 | -166.6 | 62.8 | 0 | 0 | 0 | 112.6 | A31 E32 K33 I38 N39 F48 L50 L71 V73 | A31-L35 WeakPolarHBondContact O-CB 3.35Å; A31-L35 PolarHBondContact O-N 2.72Å; E32-L35 PolarHBondContact O-N 3.02Å; K33-L35 VanDerWaalsContact C-N 3.32Å; K33-L35 PolarHBondContact O-N 3.46Å; L35-I38 WeakPolarHBondContact O-CB 3.48Å; L35-I38 PolarHBondContact O-N 3.49Å; L35-N39 PolarHBondContact O-N 3.45Å; L35-N39 PolarHBondContact O-ND2 2.81Å; L35-F48 HydrophobicContact CD1-CB 3.7Å; L35-F48 HydrophobicContact CD1-CD2 4.1Å; L35-F48 HydrophobicContact CD1-CG 4.4Å; L35-F48 HydrophobicContact CD2-CB 4.15Å; L35-F48 HydrophobicContact CG-CB 4.09Å; L35-L50 HydrophobicContact CD2-CB 3.78Å; L35-L50 HydrophobicContact CD2-CD1 4.45Å; L35-L71 HydrophobicContact CD1-CD1 4.45Å; L35-V73 HydrophobicContact CD1-CG1 3.81Å; L35-V73 HydrophobicContact CD2-CG1 4.04Å |
| 36 | D | 92.1 | Very high | 90.2 | Very high | 23 Ų | 23 | 37.4 Ų | 37.4 | 12% | 0.123 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.9 | -46.3 | 170.8 | 172.2 | 60.5 | 0 | 0 | 0 | 112 | E32 K33 I38 N39 K40 H85 | E32-D36 PolarHBondContact O-N 2.91Å; K33-D36 PolarHBondContact O-N 2.65Å; D36-I38 VanDerWaalsContact C-N 3.31Å; D36-I38 PolarHBondContact O-N 2.91Å; D36-N39 PolarHBondContact O-N 2.04Å; D36-K40 WeakPolarHBondContact O-CB 3.48Å; D36-K40 WeakPolarHBondContact O-CG 3.35Å; D36-K40 PolarHBondContact O-N 3.32Å; D36-K40 WeakPolarHBondContact OD1-CD 3.4Å; D36-K40 WeakPolarHBondContact OD1-CE 3.35Å; D36-K40 IonicContact OD1-NZ 3.76Å; D36-K40 PolarHBondContact OD1-NZ 3.08Å; D36-K40 WeakPolarHBondContact OD2-CE 3.42Å; D36-K40 IonicContact OD2-NZ 2.76Å; D36-K40 PolarHBondContact OD2-NZ 3.08Å; D36-H85 IonicContact OD1-CD2 2.88Å; D36-H85 PolarHBondContact OD1-CD2 3.18Å |
| 37 | L | 90.8 | Very high | 90.3 | Very high | 25 Ų | 25 | 34.4 Ų | 34.4 | 13% | 0.131 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.5 | -33.3 | 175.8 | -70.9 | 168.9 | 0 | 0 | 0 | 113.1 | K33 A34 R41 L119 V121 | K33-L37 WeakPolarHBondContact O-CG 3.46Å; K33-L37 PolarHBondContact O-N 2.8Å; K33-L37 VanDerWaalsContact O-N 3.1Å; A34-L37 PolarHBondContact O-N 2.84Å; L37-R41 WeakPolarHBondContact O-CB 3.42Å; L37-R41 PolarHBondContact O-N 2.89Å; L37-R41 VanDerWaalsContact O-N 3.08Å; L37-L119 VanDerWaalsContact CD1-O 3.29Å; L37-L119 WeakPolarHBondContact CD1-O 3.19Å; L37-V121 HydrophobicContact CB-CG2 3.78Å; L37-V121 HydrophobicContact CD1-CG2 4.19Å |
| 38 | I | 92.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.2 | -50.2 | 172.6 | -73.2 | 167.5 | 0 | 0 | 0 | 110.4 | A34 L35 D36 K40 R41 R42 F48 V107 V121 F124 | A34-I38 VanDerWaalsContact O-CG1 3.3Å; A34-I38 WeakPolarHBondContact O-CG1 3.27Å; A34-I38 PolarHBondContact O-N 3.2Å; L35-I38 WeakPolarHBondContact O-CB 3.48Å; L35-I38 PolarHBondContact O-N 3.49Å; D36-I38 VanDerWaalsContact C-N 3.31Å; D36-I38 PolarHBondContact O-N 2.91Å; I38-K40 VanDerWaalsContact C-N 3.32Å; I38-K40 PolarHBondContact O-N 3.22Å; I38-R41 PolarHBondContact O-N 2.67Å; I38-R41 VanDerWaalsContact O-N 3.1Å; I38-R42 HydrophobicContact CG2-CG 4.5Å; I38-R42 WeakPolarHBondContact O-CG 3.36Å; I38-R42 PolarHBondContact O-N 2.72Å; I38-F48 HydrophobicContact CG2-CD2 4.31Å; I38-V107 HydrophobicContact CD1-CB 4.45Å; I38-V107 HydrophobicContact CD1-CG1 3.99Å; I38-V107 HydrophobicContact CD1-CG2 3.56Å; I38-V121 HydrophobicContact CG1-CG1 4.28Å; I38-V121 HydrophobicContact CG1-CG2 4.34Å; I38-F124 HydrophobicContact CB-CE1 4.34Å; I38-F124 HydrophobicContact CD1-CB 4.06Å; I38-F124 HydrophobicContact CD1-CD1 4.26Å; I38-F124 HydrophobicContact CD1-CG 4.06Å; I38-F124 HydrophobicContact CG1-CB 4.4Å; I38-F124 HydrophobicContact CG1-CD1 3.68Å; I38-F124 HydrophobicContact CG1-CE1 3.97Å; I38-F124 HydrophobicContact CG1-CG 3.98Å; I38-F124 HydrophobicContact CG2-CD1 4.41Å; I38-F124 HydrophobicContact CG2-CD2 4.29Å; I38-F124 HydrophobicContact CG2-CE1 4.03Å; I38-F124 HydrophobicContact CG2-CE2 3.96Å; I38-F124 HydrophobicContact CG2-CZ 3.82Å |
| 39 | N | 92.8 | Very high | 90.5 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.7 | -43 | 177.5 | -76.7 | -23.3 | 0 | 0 | 0 | 111.9 | L35 D36 R41 R42 L47 F48 R83 | L35-N39 PolarHBondContact O-N 3.45Å; L35-N39 PolarHBondContact O-ND2 2.81Å; D36-N39 PolarHBondContact O-N 2.04Å; N39-R41 VanDerWaalsContact C-N 3.35Å; N39-R41 PolarHBondContact O-N 2.78Å; N39-R42 PolarHBondContact O-N 3.47Å; N39-L47 HydrophobicContact CB-CD2 3.73Å; N39-F48 PolarHBondContact ND2-N 2.86Å; N39-F48 PolarHBondContact ND2-O 2.94Å; N39-F48 PolarHBondContact OD1-N 2.91Å; N39-R83 PolarHBondContact O-NH1 3.15Å |
| 40 | K | 87.2 | Confident | 90.6 | Very high | 61 Ų | 61 | 31.7 Ų | 31.7 | 27% | 0.265 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -68.1 | -27.5 | 176.1 | -75.3 | 167.9 | 176.4 | 161.2 | 0 | 113.7 | D36 I38 R83 I252 | D36-K40 WeakPolarHBondContact O-CB 3.48Å; D36-K40 WeakPolarHBondContact O-CG 3.35Å; D36-K40 PolarHBondContact O-N 3.32Å; D36-K40 WeakPolarHBondContact OD1-CD 3.4Å; D36-K40 WeakPolarHBondContact OD1-CE 3.35Å; D36-K40 IonicContact OD1-NZ 3.76Å; D36-K40 PolarHBondContact OD1-NZ 3.08Å; D36-K40 WeakPolarHBondContact OD2-CE 3.42Å; D36-K40 IonicContact OD2-NZ 2.76Å; D36-K40 PolarHBondContact OD2-NZ 3.08Å; I38-K40 VanDerWaalsContact C-N 3.32Å; I38-K40 PolarHBondContact O-N 3.22Å; K40-R83 VanDerWaalsContact O-CZ 3.31Å; K40-R83 PolarHBondContact O-NH2 2.85Å; K40-I252 HydrophobicContact CB-CG2 4.44Å; K40-I252 HydrophobicContact CD-CG2 4.49Å |
| 41 | R | 85 | Confident | 90.7 | Very high | 53 Ų | 53 | 30.3 Ų | 30.3 | 20% | 0.2 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -78 | -38.8 | 174.1 | -170.4 | 178 | -63.4 | 171.6 | -1.3 | 112.8 | L37 I38 N39 V121 I122 P456 | L37-R41 WeakPolarHBondContact O-CB 3.42Å; L37-R41 PolarHBondContact O-N 2.89Å; L37-R41 VanDerWaalsContact O-N 3.08Å; I38-R41 PolarHBondContact O-N 2.67Å; I38-R41 VanDerWaalsContact O-N 3.1Å; N39-R41 VanDerWaalsContact C-N 3.35Å; N39-R41 PolarHBondContact O-N 2.78Å; R41-V121 PolarHBondContact NH2-O 3Å; R41-I122 PolarHBondContact NH1-O 2.81Å; R41-P456 WeakPolarHBondContact CD-O 3.4Å; R41-P456 PolarHBondContact NH1-O 2.84Å |
| 42 | R | 86.7 | Confident | 90.7 | Very high | 13 Ų | 13 | 31.5 Ų | 31.5 | 5% | 0.049 | 14% | 0.142 | C | C | . | . | trans | -58.7 | 157.6 | -179.8 | -74.9 | 172.5 | 59.2 | -149.3 | -8.9 | 112.6 | I38 N39 D44 Y46 F48 V80 R83 F124 V459 | I38-R42 HydrophobicContact CG2-CG 4.5Å; I38-R42 WeakPolarHBondContact O-CG 3.36Å; I38-R42 PolarHBondContact O-N 2.72Å; N39-R42 PolarHBondContact O-N 3.47Å; R42-D44 PolarHBondContact NH2-O 2.97Å; R42-Y46 PolarHBondContact NH1-O 2.59Å; R42-Y46 PolarHBondContact NH2-O 3.1Å; R42-F48 VanDerWaalsContact NH1-CD2 3.33Å; R42-F48 VanDerWaalsContact NH1-CE2 3.31Å; R42-V80 HydrophobicContact CB-CB 4.35Å; R42-V80 HydrophobicContact CB-CG1 4.12Å; R42-V80 HydrophobicContact CB-CG2 4.22Å; R42-R83 PolarHBondContact O-NH1 3.16Å; R42-R83 PolarHBondContact O-NH2 2.75Å; R42-F124 HydrophobicContact CG-CZ 4.22Å; R42-V459 HydrophobicContact CG-CG2 4.49Å | ||
| 43 | R | 80.1 | Confident | 90.8 | Very high | 164 Ų | 164 | 28.9 Ų | 28.9 | 62% | 0.619 | 13% | 0.13 | S | C | * | . | trans | -126.3 | -8.6 | 179.3 | -69.8 | -67.8 | -179 | 173.4 | -0.6 | 113.7 | V80 L81 | R43-V80 VanDerWaalsContact C-CG2 3.46Å; R43-L81 WeakPolarHBondContact O-CD2 3.43Å | ||
| 44 | D | 82.7 | Confident | 90.8 | Very high | 86 Ų | 86 | 26.3 Ų | 26.3 | 46% | 0.46 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -139 | 151.4 | -168.4 | 59 | -60.4 | 0 | 0 | 0 | 111.8 | R42 V80 | R42-D44 PolarHBondContact NH2-O 2.97Å; D44-V80 VanDerWaalsContact N-CG2 3.28Å; D44-V80 WeakPolarHBondContact O-CG2 3.35Å |
| 45 | G | 88.1 | Confident | 90.8 | Very high | 11 Ų | 11 | 27 Ų | 27 | 11% | 0.113 | 13% | 0.125 | C | C | . | . | S | Bend | trans | 69.9 | -156.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | V80 | G45-V80 PolarHBondContact O-N 3.03Š|
| 46 | Y | 91.6 | Very high | 90.7 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.008 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 154.3 | -168.9 | -64.3 | -104.8 | 0 | 0 | 0 | 112.6 | R42 F48 S76 C78 E181 R182 D197 F217 | R42-Y46 PolarHBondContact NH1-O 2.59Å; R42-Y46 PolarHBondContact NH2-O 3.1Å; Y46-F48 PolarHBondContact O-N 2.9Å; Y46-S76 WeakPolarHBondContact CB-O 3.4Å; Y46-S76 VanDerWaalsContact CD1-O 3.28Å; Y46-S76 WeakPolarHBondContact CD1-O 3.37Å; Y46-C78 CarbonylContact C-O 3.51Å; Y46-C78 VanDerWaalsContact CA-O 3.29Å; Y46-C78 WeakPolarHBondContact CA-O 3.36Å; Y46-E181 HydrophobicContact CE2-CB 4.38Å; Y46-R182 HydrophobicContact CE2-CG 3.66Å; Y46-R182 VanDerWaalsContact CG-NH2 3.3Å; Y46-R182 VanDerWaalsContact OH-CD 3.29Å; Y46-R182 WeakPolarHBondContact OH-CD 3.26Å; Y46-R182 VanDerWaalsContact OH-CG 3.26Å; Y46-R182 WeakPolarHBondContact OH-CG 3.37Å; Y46-D197 WeakPolarHBondContact OH-CB 3.26Å; Y46-D197 PolarHBondContact OH-OD2 2.8Å; Y46-F217 HydrophobicContact CE1-CE1 4.49Å; Y46-F217 AromaticContact CE1-CZ 3.78Å; Y46-F217 HydrophobicContact CE1-CZ 3.78Å; Y46-F217 AromaticContact CZ-CZ 3.7Å; Y46-F217 WeakPolarHBondContact OH-CZ 3.41Å |
| 47 | L | 92.9 | Very high | 90.6 | Very high | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.016 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 133.2 | 178 | -64.7 | 172.9 | 0 | 0 | 0 | 110.3 | N39 S76 C78 V80 | N39-L47 HydrophobicContact CB-CD2 3.73Å; L47-S76 PolarHBondContact O-N 3.03Å; L47-S76 PolarHBondContact O-OG 3.39Å; L47-C78 HydrophobicContact CD1-CB 3.94Å; L47-C78 HydrophobicContact CG-CB 4.48Å; L47-C78 PolarHBondContact N-O 3.18Å; L47-V80 HydrophobicContact CD2-CB 4.34Å; L47-V80 HydrophobicContact CD2-CG1 4.22Å |
| 48 | F | 94.3 | Very high | 90.6 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 0% | 0.004 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 135.8 | 171 | -65.4 | -35.2 | 0 | 0 | 0 | 111.2 | L35 I38 N39 R42 Y46 V73 Q74 E75 W86 C126 T128 V459 | L35-F48 HydrophobicContact CD1-CB 3.7Å; L35-F48 HydrophobicContact CD1-CD2 4.1Å; L35-F48 HydrophobicContact CD1-CG 4.4Å; L35-F48 HydrophobicContact CD2-CB 4.15Å; L35-F48 HydrophobicContact CG-CB 4.09Å; I38-F48 HydrophobicContact CG2-CD2 4.31Å; N39-F48 PolarHBondContact ND2-N 2.86Å; N39-F48 PolarHBondContact ND2-O 2.94Å; N39-F48 PolarHBondContact OD1-N 2.91Å; R42-F48 VanDerWaalsContact NH1-CD2 3.33Å; R42-F48 VanDerWaalsContact NH1-CE2 3.31Å; Y46-F48 PolarHBondContact O-N 2.9Å; F48-V73 HydrophobicContact CB-CB 4.19Å; F48-V73 HydrophobicContact CB-CG1 4.45Å; F48-V73 HydrophobicContact CD1-CG2 4.16Å; F48-V73 HydrophobicContact CD2-CG2 4.38Å; F48-V73 HydrophobicContact CE1-CG2 4.48Å; F48-V73 HydrophobicContact CG-CB 4.34Å; F48-V73 HydrophobicContact CG-CG2 4.12Å; F48-Q74 CarbonylContact C-O 3.43Å; F48-Q74 WeakPolarHBondContact CA-O 3.38Å; F48-E75 HydrophobicContact CD1-CG 3.95Å; F48-E75 HydrophobicContact CE1-CG 3.83Å; F48-W86 WeakPolarHBondContact O-CB 3.4Å; F48-C126 HydrophobicContact CE2-CB 4.32Å; F48-T128 HydrophobicContact CE1-CG2 3.94Å; F48-T128 HydrophobicContact CZ-CG2 3.87Å; F48-V459 HydrophobicContact CE2-CG2 4.34Å; F48-V459 HydrophobicContact CZ-CG1 4.05Å; F48-V459 HydrophobicContact CZ-CG2 4.33Å |
| 49 | Q | 93.3 | Very high | 90.3 | Very high | 57 Ų | 57 | 26.5 Ų | 26.5 | 27% | 0.266 | 12% | 0.122 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 145.8 | 167.2 | -60.6 | -178.9 | -30.3 | 0 | 0 | 109.2 | L51 V73 Q74 W86 | Q49-L51 PolarHBondContact O-N 2.64Å; Q49-V73 VanDerWaalsContact O-CA 3.31Å; Q49-V73 WeakPolarHBondContact O-CA 3.37Å; Q49-V73 WeakPolarHBondContact O-CB 3.25Å; Q49-Q74 PolarHBondContact N-O 3Å; Q49-Q74 PolarHBondContact O-N 3.33Å; Q49-W86 HydrophobicContact CB-CE3 4.14Å; Q49-W86 HydrophobicContact CG-CB 4.26Å; Q49-W86 HydrophobicContact CG-CE3 3.91Å; Q49-W86 PolarHBondContact NE2-O 2.97Å; Q49-W86 VanDerWaalsContact NE2-O 3.12Å |
| 50 | L | 94.2 | Very high | 89.8 | Confident | 8 Ų | 8 | 35 Ų | 35 | 4% | 0.042 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 114.6 | -177.1 | -176 | 64.2 | 0 | 0 | 0 | 110.8 | E28 A31 E32 L35 L71 | E28-L50 HydrophobicContact CG-CD2 4.22Å; A31-L50 HydrophobicContact CB-CD2 4.11Å; E32-L50 HydrophobicContact CG-CD2 3.57Å; L35-L50 HydrophobicContact CD2-CB 3.78Å; L35-L50 HydrophobicContact CD2-CD1 4.45Å; L50-L71 HydrophobicContact CD1-CB 4.01Å; L50-L71 HydrophobicContact CD1-CD1 4.42Å; L50-L71 HydrophobicContact CD1-CD2 4.04Å; L50-L71 HydrophobicContact CD1-CG 4.38Å |
| 51 | L | 93.4 | Very high | 89.1 | Confident | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | -40.7 | 172.2 | -61.9 | 179.2 | 0 | 0 | 0 | 111.3 | Q49 D72 V73 Q74 I102 F509 K510 L520 | Q49-L51 PolarHBondContact O-N 2.64Å; L51-D72 HydrophobicContact CB-CB 4Å; L51-D72 WeakPolarHBondContact CB-O 3.45Å; L51-D72 HydrophobicContact CD1-CB 4.46Å; L51-D72 PolarHBondContact N-O 2.75Å; L51-V73 WeakPolarHBondContact CD1-O 3.28Å; L51-Q74 HydrophobicContact CD1-CB 4.08Å; L51-Q74 HydrophobicContact CD2-CB 3.73Å; L51-Q74 HydrophobicContact CG-CB 3.95Å; L51-I102 HydrophobicContact CD1-CG2 4.3Å; L51-F509 HydrophobicContact CB-CD2 4.17Å; L51-F509 HydrophobicContact CB-CE2 3.78Å; L51-F509 HydrophobicContact CB-CZ 4.45Å; L51-F509 HydrophobicContact CD1-CE2 3.92Å; L51-F509 HydrophobicContact CD1-CZ 4.1Å; L51-F509 HydrophobicContact CG-CE2 4.34Å; L51-F509 CarbonylContact O-C 3.56Å; L51-F509 WeakPolarHBondContact O-CA 3.44Å; L51-K510 VanDerWaalsContact CD2-O 3.24Å; L51-K510 WeakPolarHBondContact CD2-O 3.23Å; L51-K510 PolarHBondContact O-N 2.68Å; L51-L520 HydrophobicContact CD1-CD1 3.97Å |
| 52 | R | 93.5 | Very high | 88.5 | Confident | 26 Ų | 26 | 38.6 Ų | 38.6 | 10% | 0.098 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175.6 | 162.2 | 169.2 | 53.7 | 177.4 | 171.2 | -157.6 | -17.4 | 111.2 | A54 D72 G507 K508 F509 H522 | R52-A54 PolarHBondContact O-N 2.68Å; R52-D72 HydrophobicContact CG-CB 3.9Å; R52-D72 IonicContact CZ-OD2 2.75Å; R52-D72 PolarHBondContact N-O 3.36Å; R52-D72 IonicContact NE-OD2 3.51Å; R52-D72 PolarHBondContact NE-OD2 3.28Å; R52-D72 IonicContact NH2-OD2 3.37Å; R52-D72 PolarHBondContact NH2-OD2 2.8Å; R52-D72 PolarHBondContact O-N 2.78Å; R52-G507 VanDerWaalsContact CD-O 3.24Å; R52-G507 WeakPolarHBondContact CD-O 3.46Å; R52-K508 WeakPolarHBondContact CB-O 3.33Å; R52-F509 HydrophobicContact CG-CD2 4.13Å; R52-H522 PolarHBondContact NH2-CE1 3.1Å; R52-H522 PolarHBondContact NH2-NE2 3.21Å |
| 53 | V | 95.3 | Very high | 87.9 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 120.9 | 154.4 | -164.8 | 0 | 0 | 0 | 0 | 108.2 | C24 I27 E28 A31 A56 L71 G507 | C24-V53 HydrophobicContact CB-CB 4.01Å; C24-V53 HydrophobicContact CB-CG1 4.24Å; C24-V53 VanDerWaalsContact SG-CG1 3.54Å; C24-V53 PolarHBondContact SG-O 2.87Å; I27-V53 HydrophobicContact CG2-CG1 4.03Å; I27-V53 HydrophobicContact CG2-CG2 4.29Å; E28-V53 HydrophobicContact CB-CG2 4.43Å; A31-V53 HydrophobicContact CB-CG2 3.62Å; V53-A56 HydrophobicContact CG1-CB 3.89Å; V53-L71 HydrophobicContact CG1-CD2 4.33Å; V53-L71 HydrophobicContact CG2-CD2 4.41Å; V53-G507 PolarHBondContact O-N 2.71Å |
| 54 | A | 92.9 | Very high | 88 | Confident | 12 Ų | 12 | 36 Ų | 36 | 10% | 0.099 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -35.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R52 A70 P506 | R52-A54 PolarHBondContact O-N 2.68Å; A54-A70 HydrophobicContact CB-CB 4.24Å; A54-A70 WeakPolarHBondContact CB-O 3.5Å; A54-A70 PolarHBondContact N-O 2.89Å; A54-P506 WeakPolarHBondContact O-CA 3.36Å |
| 55 | D | 92.9 | Very high | 88.2 | Confident | 15 Ų | 15 | 32.9 Ų | 32.9 | 8% | 0.08 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 151.1 | 172.2 | -172.8 | 26.9 | 0 | 0 | 0 | 109.2 | H57 A70 S502 | D55-H57 IonicContact OD1-CD2 2.95Å; D55-H57 IonicContact OD1-CE1 3.44Å; D55-H57 IonicContact OD1-NE2 2.75Å; D55-H57 PolarHBondContact OD1-NE2 2.85Å; D55-H57 VanDerWaalsContact OD1-NE2 3.08Å; D55-H57 IonicContact OD2-CD2 3.79Å; D55-H57 IonicContact OD2-CE1 2.71Å; D55-H57 IonicContact OD2-NE2 3.36Å; D55-H57 PolarHBondContact OD2-NE2 2.91Å; D55-A70 HydrophobicContact CB-CB 3.91Å; D55-A70 PolarHBondContact N-O 3.22Å; D55-A70 PolarHBondContact O-N 3.39Å; D55-S502 WeakPolarHBondContact OD1-CB 3.43Å; D55-S502 PolarHBondContact OD1-N 2.82Å |
| 56 | A | 92.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 133.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | T22 I27 V53 Y68 L69 | T22-A56 HydrophobicContact CG2-CB 3.63Å; T22-A56 PolarHBondContact N-O 3.43Å; I27-A56 HydrophobicContact CG2-CB 3.73Å; V53-A56 HydrophobicContact CG1-CB 3.89Å; A56-Y68 WeakPolarHBondContact CA-O 3.45Å; A56-L69 HydrophobicContact CB-CD2 3.97Å |
| 57 | H | 91.1 | Very high | 88.2 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 150.3 | 177.3 | -51.1 | -100.8 | 0 | 0 | 0 | 111.5 | V19 S20 P21 D55 Y68 P498 S500 | V19-H57 HydrophobicContact CB-CB 4.4Å; V19-H57 HydrophobicContact CG1-CB 3.51Å; S20-H57 CarbonylContact O-C 3.56Å; S20-H57 VanDerWaalsContact O-CA 3.29Å; S20-H57 WeakPolarHBondContact O-CA 3.5Å; P21-H57 WeakPolarHBondContact CA-ND1 3.33Å; D55-H57 IonicContact OD1-CD2 2.95Å; D55-H57 IonicContact OD1-CE1 3.44Å; D55-H57 IonicContact OD1-NE2 2.75Å; D55-H57 PolarHBondContact OD1-NE2 2.85Å; D55-H57 VanDerWaalsContact OD1-NE2 3.08Å; D55-H57 IonicContact OD2-CD2 3.79Å; D55-H57 IonicContact OD2-CE1 2.71Å; D55-H57 IonicContact OD2-NE2 3.36Å; D55-H57 PolarHBondContact OD2-NE2 2.91Å; H57-Y68 PolarHBondContact N-O 2.79Å; H57-Y68 PolarHBondContact O-N 2.93Å; H57-P498 HydrophobicContact CB-CG 3.92Å; H57-S500 PolarHBondContact CE1-O 2.96Å; H57-S500 PolarHBondContact NE2-O 2.8Å |
| 58 | L | 89.2 | Confident | 88.2 | Confident | 11 Ų | 11 | 33.8 Ų | 33.8 | 6% | 0.058 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 132.9 | -178 | -54.7 | 179.8 | 0 | 0 | 0 | 111.1 | S20 T22 I27 T65 V66 Y67 | S20-L58 PolarHBondContact N-O 3.37Å; S20-L58 PolarHBondContact O-N 2.83Å; S20-L58 PolarHBondContact OG-O 2.85Å; T22-L58 HydrophobicContact CG2-CD1 4.22Å; T22-L58 HydrophobicContact CG2-CD2 4.26Å; T22-L58 HydrophobicContact CG2-CG 3.88Å; I27-L58 HydrophobicContact CD1-CD2 4.12Å; L58-T65 HydrophobicContact CB-CG2 4.21Å; L58-T65 HydrophobicContact CD2-CG2 4.01Å; L58-V66 WeakPolarHBondContact CA-O 3.16Å; L58-Y67 HydrophobicContact CD2-CD1 3.26Å; L58-Y67 HydrophobicContact CD2-CE1 3.62Å; L58-Y67 HydrophobicContact CD2-CG 4.2Å |
| 59 | D | 86.8 | Confident | 88.1 | Confident | 25 Ų | 25 | 33.8 Ų | 33.8 | 13% | 0.134 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 130.6 | 162.8 | 179.7 | 13.6 | 0 | 0 | 0 | 108.5 | V19 T65 V66 Y68 | V19-D59 HydrophobicContact CG1-CB 4.23Å; D59-T65 CarbonylContact O-C 3.58Å; D59-T65 WeakPolarHBondContact O-CA 3.22Å; D59-V66 HydrophobicContact CB-CB 4.16Å; D59-V66 HydrophobicContact CB-CG2 4.39Å; D59-V66 PolarHBondContact N-O 3.32Å; D59-V66 PolarHBondContact O-N 3.25Å; D59-Y68 HydrophobicContact CB-CE2 3.81Å |
| 60 | R | 82.7 | Confident | 88.2 | Confident | 182 Ų | 182 | 31.7 Ų | 31.7 | 69% | 0.687 | 15% | 0.154 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 101.8 | -171.4 | -70.7 | -176.9 | 179.1 | 171.3 | 1.9 | 109.6 | T65 | R60-T65 HydrophobicContact CG-CG2 4.31Å |
| 61 | V | 72.3 | Confident | 88.3 | Confident | 43 Ų | 43 | 31.4 Ų | 31.4 | 26% | 0.261 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 95.6 | -174.9 | -178.4 | 0 | 0 | 0 | 0 | 109.4 | N63 A64 P492 | V61-N63 PolarHBondContact O-N 2.79Å; V61-A64 PolarHBondContact N-O 2.83Å; V61-A64 PolarHBondContact O-N 3.4Å; V61-P492 HydrophobicContact CB-CB 3.99Å; V61-P492 HydrophobicContact CG1-CB 4.26Å; V61-P492 HydrophobicContact CG2-CB 3.77Å |
| 62 | E | 72.5 | Confident | 88.4 | Confident | 146 Ų | 146 | 31.2 Ų | 31.2 | 68% | 0.682 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | -81.1 | -179.4 | -60.6 | -173.6 | 169.2 | 0 | 0 | 115.1 | L490 | E62-L490 WeakPolarHBondContact OE1-CD1 3.48Å; E62-L490 WeakPolarHBondContact OE2-CD1 3.27Å |
| 63 | N | 74.8 | Confident | 88.5 | Confident | 108 Ų | 108 | 30 Ų | 30 | 58% | 0.578 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.1 | -0.3 | -173.9 | -59.1 | -69.2 | 0 | 0 | 0 | 113.3 | V61 S113 | V61-N63 PolarHBondContact O-N 2.79Å; N63-S113 PolarHBondContact O-N 2.74Å; N63-S113 PolarHBondContact O-OG 2.82Å |
| 64 | A | 81.3 | Confident | 88.4 | Confident | 14 Ų | 14 | 31.1 Ų | 31.1 | 12% | 0.116 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 145.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V61 G111 | V61-A64 PolarHBondContact N-O 2.83Å; V61-A64 PolarHBondContact O-N 3.4Å; A64-G111 WeakPolarHBondContact CA-O 3.45Å |
| 65 | T | 86.7 | Confident | 88.4 | Confident | 21 Ų | 21 | 31 Ų | 31 | 13% | 0.129 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 128.6 | 167.1 | -58.1 | 0 | 0 | 0 | 0 | 108.8 | L58 D59 R60 Y67 T110 G111 | L58-T65 HydrophobicContact CB-CG2 4.21Å; L58-T65 HydrophobicContact CD2-CG2 4.01Å; D59-T65 CarbonylContact O-C 3.58Å; D59-T65 WeakPolarHBondContact O-CA 3.22Å; R60-T65 HydrophobicContact CG-CG2 4.31Å; T65-Y67 HydrophobicContact CG2-CD1 4.25Å; T65-Y67 HydrophobicContact CG2-CD2 4.34Å; T65-Y67 HydrophobicContact CG2-CE1 3.83Å; T65-Y67 HydrophobicContact CG2-CE2 3.94Å; T65-Y67 HydrophobicContact CG2-CG 4.49Å; T65-Y67 WeakPolarHBondContact O-CD2 3.16Å; T65-Y67 WeakPolarHBondContact O-CE2 3.18Å; T65-T110 VanDerWaalsContact O-CA 3.27Å; T65-T110 WeakPolarHBondContact O-CA 3.13Å; T65-G111 PolarHBondContact N-O 3.48Å; T65-G111 PolarHBondContact O-N 2.95Å |
| 66 | V | 88.6 | Confident | 88.3 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 131.7 | 165.8 | -163.7 | 0 | 0 | 0 | 0 | 108.1 | L58 D59 Y68 I108 A109 T110 P492 | L58-V66 WeakPolarHBondContact CA-O 3.16Å; D59-V66 HydrophobicContact CB-CB 4.16Å; D59-V66 HydrophobicContact CB-CG2 4.39Å; D59-V66 PolarHBondContact N-O 3.32Å; D59-V66 PolarHBondContact O-N 3.25Å; V66-Y68 HydrophobicContact CB-CE2 3.87Å; V66-Y68 HydrophobicContact CG1-CD2 4.39Å; V66-Y68 HydrophobicContact CG1-CE1 4.3Å; V66-Y68 HydrophobicContact CG1-CE2 3.71Å; V66-I108 HydrophobicContact CG1-CG2 3.88Å; V66-A109 CarbonylContact C-O 3.52Å; V66-A109 WeakPolarHBondContact CA-O 3.33Å; V66-T110 HydrophobicContact CB-CG2 4.32Å; V66-T110 HydrophobicContact CG1-CG2 4.17Å; V66-T110 HydrophobicContact CG2-CG2 4.03Å; V66-P492 HydrophobicContact CG2-CB 3.65Å; V66-P492 HydrophobicContact CG2-CG 3.73Å |
| 67 | Y | 90.9 | Very high | 87.9 | Confident | 35 Ų | 35 | 31.9 Ų | 31.9 | 14% | 0.137 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 121.1 | -179.3 | -58.3 | -91 | 0 | 0 | 0 | 108.8 | I27 E30 L58 T65 I108 A109 L119 | I27-Y67 HydrophobicContact CD1-CD1 3.72Å; I27-Y67 HydrophobicContact CD1-CE1 3.63Å; I27-Y67 HydrophobicContact CG1-CD1 4.45Å; E30-Y67 HydrophobicContact CB-CE1 4.4Å; E30-Y67 HydrophobicContact CG-CE1 3.99Å; L58-Y67 HydrophobicContact CD2-CD1 3.26Å; L58-Y67 HydrophobicContact CD2-CE1 3.62Å; L58-Y67 HydrophobicContact CD2-CG 4.2Å; T65-Y67 HydrophobicContact CG2-CD1 4.25Å; T65-Y67 HydrophobicContact CG2-CD2 4.34Å; T65-Y67 HydrophobicContact CG2-CE1 3.83Å; T65-Y67 HydrophobicContact CG2-CE2 3.94Å; T65-Y67 HydrophobicContact CG2-CG 4.49Å; T65-Y67 WeakPolarHBondContact O-CD2 3.16Å; T65-Y67 WeakPolarHBondContact O-CE2 3.18Å; Y67-I108 WeakPolarHBondContact O-CA 3.44Å; Y67-A109 PolarHBondContact N-O 2.76Å; Y67-A109 PolarHBondContact O-N 2.86Å; Y67-L119 HydrophobicContact CD2-CD1 3.74Å; Y67-L119 HydrophobicContact CE2-CD1 3.67Å |
| 68 | Y | 92.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 101.6 | 173 | -55.2 | -95.9 | 0 | 0 | 0 | 107.1 | V19 A56 H57 D59 V66 I108 I494 Q495 F497 | V19-Y68 HydrophobicContact CG1-CD2 3.41Å; V19-Y68 VanDerWaalsContact CG1-CD2 3.41Å; V19-Y68 HydrophobicContact CG1-CE2 3.58Å; V19-Y68 HydrophobicContact CG1-CG 4.33Å; V19-Y68 HydrophobicContact CG2-CE2 4.14Å; A56-Y68 WeakPolarHBondContact CA-O 3.45Å; H57-Y68 PolarHBondContact N-O 2.79Å; H57-Y68 PolarHBondContact O-N 2.93Å; D59-Y68 HydrophobicContact CB-CE2 3.81Å; V66-Y68 HydrophobicContact CB-CE2 3.87Å; V66-Y68 HydrophobicContact CG1-CD2 4.39Å; V66-Y68 HydrophobicContact CG1-CE1 4.3Å; V66-Y68 HydrophobicContact CG1-CE2 3.71Å; Y68-I108 HydrophobicContact CD1-CD1 4.19Å; Y68-I108 HydrophobicContact CD1-CG1 4.04Å; Y68-I108 HydrophobicContact CE1-CD1 4.12Å; Y68-I108 HydrophobicContact CE1-CG1 4.35Å; Y68-I108 HydrophobicContact CE1-CG2 4.36Å; Y68-I494 HydrophobicContact CE1-CG2 4.23Å; Y68-Q495 WeakPolarHBondContact CE1-O 3.48Å; Y68-Q495 PolarHBondContact OH-N 3.27Å; Y68-F497 HydrophobicContact CD1-CD2 4.21Å |
| 69 | L | 94 | Very high | 87.6 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 129.8 | -171.4 | -54 | 176.5 | 0 | 0 | 0 | 110.2 | I27 A31 A34 A56 L71 K106 V107 | I27-L69 HydrophobicContact CG1-CD2 3.96Å; A31-L69 HydrophobicContact CB-CD1 4.24Å; A34-L69 HydrophobicContact CB-CD1 4.21Å; A56-L69 HydrophobicContact CB-CD2 3.97Å; L69-L71 HydrophobicContact CB-CD2 4.01Å; L69-L71 HydrophobicContact CB-CG 4.34Å; L69-K106 CarbonylContact O-C 3.55Å; L69-K106 WeakPolarHBondContact O-CA 3.26Å; L69-V107 HydrophobicContact CB-CB 4.38Å; L69-V107 PolarHBondContact N-O 2.87Å; L69-V107 PolarHBondContact O-N 2.69Å |
| 70 | A | 94.6 | Very high | 87.7 | Confident | 13 Ų | 13 | 31.5 Ų | 31.5 | 11% | 0.107 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 125.5 | 161.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | A54 D55 C105 F497 | A54-A70 HydrophobicContact CB-CB 4.24Å; A54-A70 WeakPolarHBondContact CB-O 3.5Å; A54-A70 PolarHBondContact N-O 2.89Å; D55-A70 HydrophobicContact CB-CB 3.91Å; D55-A70 PolarHBondContact N-O 3.22Å; D55-A70 PolarHBondContact O-N 3.39Å; A70-C105 CarbonylContact C-O 3.51Å; A70-C105 VanDerWaalsContact CA-O 3.31Å; A70-C105 WeakPolarHBondContact CA-O 3.4Å; A70-F497 HydrophobicContact CB-CZ 4.42Å |
| 71 | L | 95.6 | Very high | 87.7 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 127.6 | -175.4 | -51.2 | -179.7 | 0 | 0 | 0 | 109.3 | A31 L35 L50 V53 L69 V73 Q104 C105 V107 | A31-L71 HydrophobicContact CB-CD2 3.68Å; L35-L71 HydrophobicContact CD1-CD1 4.45Å; L50-L71 HydrophobicContact CD1-CB 4.01Å; L50-L71 HydrophobicContact CD1-CD1 4.42Å; L50-L71 HydrophobicContact CD1-CD2 4.04Å; L50-L71 HydrophobicContact CD1-CG 4.38Å; V53-L71 HydrophobicContact CG1-CD2 4.33Å; V53-L71 HydrophobicContact CG2-CD2 4.41Å; L69-L71 HydrophobicContact CB-CD2 4.01Å; L69-L71 HydrophobicContact CB-CG 4.34Å; L71-V73 HydrophobicContact CB-CG1 4.11Å; L71-Q104 WeakPolarHBondContact O-CA 3.17Å; L71-C105 HydrophobicContact CB-CB 4.38Å; L71-C105 PolarHBondContact N-O 2.78Å; L71-C105 PolarHBondContact O-N 2.88Å; L71-V107 HydrophobicContact CD1-CG2 3.97Å; L71-V107 HydrophobicContact CG-CG2 4.38Å |
| 72 | D | 95.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 131.9 | 161.7 | -72.2 | -5.8 | 0 | 0 | 0 | 107.4 | L51 R52 Q104 L520 H522 | L51-D72 HydrophobicContact CB-CB 4Å; L51-D72 WeakPolarHBondContact CB-O 3.45Å; L51-D72 HydrophobicContact CD1-CB 4.46Å; L51-D72 PolarHBondContact N-O 2.75Å; R52-D72 HydrophobicContact CG-CB 3.9Å; R52-D72 IonicContact CZ-OD2 2.75Å; R52-D72 PolarHBondContact N-O 3.36Å; R52-D72 IonicContact NE-OD2 3.51Å; R52-D72 PolarHBondContact NE-OD2 3.28Å; R52-D72 IonicContact NH2-OD2 3.37Å; R52-D72 PolarHBondContact NH2-OD2 2.8Å; R52-D72 PolarHBondContact O-N 2.78Å; D72-Q104 PolarHBondContact OD1-NE2 3Å; D72-L520 HydrophobicContact CB-CD1 4.12Å; D72-H522 IonicContact OD1-NE2 2.85Å; D72-H522 PolarHBondContact OD1-NE2 2.9Å; D72-H522 VanDerWaalsContact OD1-NE2 3.14Å; D72-H522 IonicContact OD2-CE1 2.78Å; D72-H522 PolarHBondContact OD2-CE1 3Å; D72-H522 IonicContact OD2-NE2 2.75Å; D72-H522 PolarHBondContact OD2-NE2 3.24Å |
| 73 | V | 95.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 159.3 | -174.9 | -61.3 | 0 | 0 | 0 | 0 | 112.2 | L35 F48 Q49 L51 L71 I102 G103 | L35-V73 HydrophobicContact CD1-CG1 3.81Å; L35-V73 HydrophobicContact CD2-CG1 4.04Å; F48-V73 HydrophobicContact CB-CB 4.19Å; F48-V73 HydrophobicContact CB-CG1 4.45Å; F48-V73 HydrophobicContact CD1-CG2 4.16Å; F48-V73 HydrophobicContact CD2-CG2 4.38Å; F48-V73 HydrophobicContact CE1-CG2 4.48Å; F48-V73 HydrophobicContact CG-CB 4.34Å; F48-V73 HydrophobicContact CG-CG2 4.12Å; Q49-V73 VanDerWaalsContact O-CA 3.31Å; Q49-V73 WeakPolarHBondContact O-CA 3.37Å; Q49-V73 WeakPolarHBondContact O-CB 3.25Å; L51-V73 WeakPolarHBondContact CD1-O 3.28Å; L71-V73 HydrophobicContact CB-CG1 4.11Å; V73-I102 CarbonylContact O-C 3.53Å; V73-I102 WeakPolarHBondContact O-CA 3.35Å; V73-G103 PolarHBondContact N-O 3.15Å; V73-G103 PolarHBondContact O-N 3.11Å |
| 74 | Q | 93.8 | Very high | 89.1 | Confident | 25 Ų | 25 | 15.4 Ų | 15.4 | 12% | 0.117 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 143.5 | 171.1 | 178.1 | 174.5 | -21.8 | 0 | 0 | 109 | F48 Q49 L51 V101 S511 | F48-Q74 CarbonylContact C-O 3.43Å; F48-Q74 WeakPolarHBondContact CA-O 3.38Å; Q49-Q74 PolarHBondContact N-O 3Å; Q49-Q74 PolarHBondContact O-N 3.33Å; L51-Q74 HydrophobicContact CD1-CB 4.08Å; L51-Q74 HydrophobicContact CD2-CB 3.73Å; L51-Q74 HydrophobicContact CG-CB 3.95Å; Q74-V101 CarbonylContact C-O 3.58Å; Q74-V101 WeakPolarHBondContact CA-O 2.96Å; Q74-S511 PolarHBondContact OE1-OG 3.26Å |
| 75 | E | 93.2 | Very high | 89.2 | Confident | 11 Ų | 11 | 17.2 Ų | 17.2 | 5% | 0.051 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 137.1 | 168.2 | -68 | -167.2 | 164.4 | 0 | 0 | 110.6 | F48 V101 R182 | F48-E75 HydrophobicContact CD1-CG 3.95Å; F48-E75 HydrophobicContact CE1-CG 3.83Å; E75-V101 HydrophobicContact CB-CB 4.04Å; E75-V101 HydrophobicContact CG-CB 3.92Å; E75-V101 HydrophobicContact CG-CG1 3.92Å; E75-V101 PolarHBondContact N-O 2.87Å; E75-R182 VanDerWaalsContact CB-NH2 3.35Å; E75-R182 IonicContact OE2-CZ 2.83Å; E75-R182 IonicContact OE2-NE 3.48Å; E75-R182 IonicContact OE2-NH2 3.4Å; E75-R182 PolarHBondContact OE2-NH2 2.89Å |
| 76 | S | 89.6 | Confident | 88.8 | Confident | 8 Ų | 8 | 18.1 Ų | 18.1 | 6% | 0.056 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | -173.8 | 165.8 | 76.8 | 0 | 0 | 0 | 0 | 111.5 | Y46 L47 C78 C89 R182 | Y46-S76 WeakPolarHBondContact CB-O 3.4Å; Y46-S76 VanDerWaalsContact CD1-O 3.28Å; Y46-S76 WeakPolarHBondContact CD1-O 3.37Å; L47-S76 PolarHBondContact O-N 3.03Å; L47-S76 PolarHBondContact O-OG 3.39Å; S76-C78 VanDerWaalsContact C-N 3.35Å; S76-C78 PolarHBondContact OG-N 3.12Å; S76-C89 PolarHBondContact OG-SG 3.29Å; S76-C89 VanDerWaalsContact OG-SG 3.35Å; S76-R182 PolarHBondContact O-NH1 3.36Å; S76-R182 PolarHBondContact O-NH2 3.05Å |
| 77 | D | 84.5 | Confident | 88.2 | Confident | 25 Ų | 25 | 23.1 Ų | 23.1 | 13% | 0.134 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 12.1 | 173.4 | -64 | -40.4 | 0 | 0 | 0 | 113.2 | P92 R182 K219 | D77-P92 WeakPolarHBondContact OD2-CG 3.3Å; D77-R182 IonicContact OD1-NH1 3.48Å; D77-R182 PolarHBondContact OD1-NH1 2.88Å; D77-K219 WeakPolarHBondContact O-CE 3.46Å; D77-K219 PolarHBondContact O-NZ 3.16Å |
| 78 | C | 87 | Confident | 87.7 | Confident | 19 Ų | 19 | 27.1 Ų | 27.1 | 13% | 0.128 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 129.3 | 176.4 | -59.9 | 0 | 0 | 0 | 0 | 112 | Y46 L47 S76 C89 | Y46-C78 CarbonylContact C-O 3.51Å; Y46-C78 VanDerWaalsContact CA-O 3.29Å; Y46-C78 WeakPolarHBondContact CA-O 3.36Å; L47-C78 HydrophobicContact CD1-CB 3.94Å; L47-C78 HydrophobicContact CG-CB 4.48Å; L47-C78 PolarHBondContact N-O 3.18Å; S76-C78 VanDerWaalsContact C-N 3.35Å; S76-C78 PolarHBondContact OG-N 3.12Å; C78-C89 HydrophobicContact CB-CB 3.83Å; C78-C89 WeakPolarHBondContact CB-SG 3.35Å; C78-C89 PolarHBondContact N-SG 2.93Å; C78-C89 VanDerWaalsContact N-SG 3.42Å; C78-C89 WeakPolarHBondContact SG-CA 3.42Å; C78-C89 WeakPolarHBondContact SG-CB 3.34Å; C78-C89 CovalentContact SG-SG 2.04Å; C78-C89 PolarHBondContact SG-SG 3.05Å |
| 79 | S | 88.3 | Confident | 87 | Confident | 9 Ų | 9 | 27.8 Ų | 27.8 | 6% | 0.063 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 144.2 | 174.3 | -177.3 | 0 | 0 | 0 | 0 | 111.9 | L81 S82 F217 | S79-L81 PolarHBondContact O-N 3.35Å; S79-L81 VanDerWaalsContact O-N 3.11Å; S79-L81 PolarHBondContact OG-N 2.9Å; S79-S82 WeakPolarHBondContact O-CB 3.37Å; S79-S82 PolarHBondContact O-N 2.94Å; S79-S82 VanDerWaalsContact O-N 3.08Å; S79-S82 PolarHBondContact O-OG 3.42Å; S79-F217 VanDerWaalsContact CB-CD2 3.5Å |
| 80 | V | 88.2 | Confident | 85.6 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -60.2 | -20.7 | 171.9 | -58.4 | 0 | 0 | 0 | 0 | 112.7 | R42 R43 D44 G45 L47 S82 R83 | R42-V80 HydrophobicContact CB-CB 4.35Å; R42-V80 HydrophobicContact CB-CG1 4.12Å; R42-V80 HydrophobicContact CB-CG2 4.22Å; R43-V80 VanDerWaalsContact C-CG2 3.46Å; D44-V80 VanDerWaalsContact N-CG2 3.28Å; D44-V80 WeakPolarHBondContact O-CG2 3.35Å; G45-V80 PolarHBondContact O-N 3.03Å; L47-V80 HydrophobicContact CD2-CB 4.34Å; L47-V80 HydrophobicContact CD2-CG1 4.22Å; V80-S82 PolarHBondContact O-N 2.98Å; V80-R83 WeakPolarHBondContact O-CD 3.39Å; V80-R83 PolarHBondContact O-N 3.2Å; V80-R83 PolarHBondContact O-NH1 2.96Å |
| 81 | L | 83.4 | Confident | 83.7 | Confident | 25 Ų | 25 | 40.6 Ų | 40.6 | 13% | 0.131 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -62.2 | -27.1 | 176 | -62.5 | 177.9 | 0 | 0 | 0 | 112.7 | R43 S79 R83 F215 F244 | R43-L81 WeakPolarHBondContact O-CD2 3.43Å; S79-L81 PolarHBondContact O-N 3.35Å; S79-L81 VanDerWaalsContact O-N 3.11Å; S79-L81 PolarHBondContact OG-N 2.9Å; L81-R83 VanDerWaalsContact C-N 3.26Å; L81-R83 PolarHBondContact O-N 3.25Å; L81-F215 HydrophobicContact CD1-CB 4.18Å; L81-F244 HydrophobicContact CB-CD2 3.46Å; L81-F244 VanDerWaalsContact CB-CD2 3.46Å; L81-F244 HydrophobicContact CB-CE2 3.65Å; L81-F244 HydrophobicContact CB-CG 4.13Å; L81-F244 HydrophobicContact CB-CZ 4.48Å; L81-F244 HydrophobicContact CD1-CD2 4.3Å; L81-F244 HydrophobicContact CD1-CE2 4.46Å |
| 82 | S | 82.1 | Confident | 81.6 | Confident | 10 Ų | 10 | 43 Ų | 43 | 7% | 0.07 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -65.6 | -22.2 | -178.4 | 65.9 | 0 | 0 | 0 | 0 | 115.2 | S79 V80 K84 F244 | S79-S82 WeakPolarHBondContact O-CB 3.37Å; S79-S82 PolarHBondContact O-N 2.94Å; S79-S82 VanDerWaalsContact O-N 3.08Å; S79-S82 PolarHBondContact O-OG 3.42Å; V80-S82 PolarHBondContact O-N 2.98Å; S82-K84 PolarHBondContact O-N 2.86Å; S82-F244 VanDerWaalsContact CA-CE1 3.44Å |
| 83 | R | 82.8 | Confident | 79.5 | Confident | 35 Ų | 35 | 49.6 Ų | 49.6 | 13% | 0.132 | 26% | 0.258 | C | S | . | . | trans | 54.7 | -0.7 | -177.4 | -58.7 | -49 | -168.8 | -153.9 | 16.5 | 117.1 | N39 K40 R42 V80 L81 H249 | N39-R83 PolarHBondContact O-NH1 3.15Å; K40-R83 VanDerWaalsContact O-CZ 3.31Å; K40-R83 PolarHBondContact O-NH2 2.85Å; R42-R83 PolarHBondContact O-NH1 3.16Å; R42-R83 PolarHBondContact O-NH2 2.75Å; V80-R83 WeakPolarHBondContact O-CD 3.39Å; V80-R83 PolarHBondContact O-N 3.2Å; V80-R83 PolarHBondContact O-NH1 2.96Å; L81-R83 VanDerWaalsContact C-N 3.26Å; L81-R83 PolarHBondContact O-N 3.25Å; R83-H249 HydrophobicContact CG-CB 4.23Å; R83-H249 VanDerWaalsContact CG-CD2 3.48Å; R83-H249 WeakPolarHBondContact CG-CD2 3.47Å | ||
| 84 | K | 83.6 | Confident | 77.6 | Confident | 72 Ų | 72 | 55.7 Ų | 55.7 | 31% | 0.313 | 30% | 0.3 | S | S | . | . | trans | -51 | 150 | 165.6 | -62.2 | 171.6 | -169 | 166.5 | 0 | 110.5 | S82 E88 E242 | S82-K84 PolarHBondContact O-N 2.86Å; K84-E88 HydrophobicContact CB-CB 4.27Å; K84-E242 VanDerWaalsContact NZ-CD 3.31Å; K84-E242 IonicContact NZ-OE1 3.21Å; K84-E242 PolarHBondContact NZ-OE1 2.84Å; K84-E242 VanDerWaalsContact NZ-OE1 3.14Å; K84-E242 IonicContact NZ-OE2 2.78Å; K84-E242 PolarHBondContact NZ-OE2 2.89Å | ||
| 85 | H | 83.6 | Confident | 76.2 | Confident | 51 Ų | 51 | 64.6 Ų | 64.6 | 24% | 0.236 | 33% | 0.333 | C | S | . | . | trans | -69 | 151.9 | 169.7 | -168.5 | -106.4 | 0 | 0 | 0 | 110 | D36 N87 E88 C89 | D36-H85 IonicContact OD1-CD2 2.88Å; D36-H85 PolarHBondContact OD1-CD2 3.18Å; H85-N87 PolarHBondContact ND1-OD1 2.96Å; H85-N87 PolarHBondContact O-N 3.12Å; H85-E88 HydrophobicContact CB-CG 4.14Å; H85-E88 PolarHBondContact N-OE2 3.18Å; H85-E88 WeakPolarHBondContact O-CB 3.49Å; H85-E88 PolarHBondContact O-N 2.84Å; H85-C89 PolarHBondContact O-N 3.19Å | ||
| 86 | W | 78 | Confident | 75.5 | Confident | 40 Ų | 40 | 66.2 Ų | 66.2 | 15% | 0.152 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -14 | -168.3 | 59.2 | -98.6 | 0 | 0 | 0 | 114.8 | E32 F48 Q49 | E32-W86 HydrophobicContact CG-CZ2 4.21Å; F48-W86 WeakPolarHBondContact O-CB 3.4Å; Q49-W86 HydrophobicContact CB-CE3 4.14Å; Q49-W86 HydrophobicContact CG-CB 4.26Å; Q49-W86 HydrophobicContact CG-CE3 3.91Å; Q49-W86 PolarHBondContact NE2-O 2.97Å; Q49-W86 VanDerWaalsContact NE2-O 3.12Å |
| 87 | N | 75.8 | Confident | 75 | Confident | 106 Ų | 106 | 67 Ų | 67 | 57% | 0.567 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -9 | 172.5 | 71.7 | -15.6 | 0 | 0 | 0 | 113.9 | H85 C89 | H85-N87 PolarHBondContact ND1-OD1 2.96Å; H85-N87 PolarHBondContact O-N 3.12Å; N87-C89 VanDerWaalsContact C-N 3.27Å |
| 88 | E | 80.9 | Confident | 74.6 | Confident | 119 Ų | 119 | 67.9 Ų | 67.9 | 56% | 0.556 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -87 | -3.8 | 167.5 | -61 | 168.7 | 167.1 | 0 | 0 | 111.1 | K84 H85 E90 | K84-E88 HydrophobicContact CB-CB 4.27Å; H85-E88 HydrophobicContact CB-CG 4.14Å; H85-E88 PolarHBondContact N-OE2 3.18Å; H85-E88 WeakPolarHBondContact O-CB 3.49Å; H85-E88 PolarHBondContact O-N 2.84Å; E88-E90 PolarHBondContact O-N 3.31Å; E88-E90 VanDerWaalsContact O-N 3.12Å |
| 89 | C | 78.1 | Confident | 74.7 | Confident | 13 Ų | 13 | 67.6 Ų | 67.6 | 9% | 0.088 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -69.6 | 102.8 | 163.6 | -171 | 0 | 0 | 0 | 0 | 108.1 | S76 C78 H85 N87 | S76-C89 PolarHBondContact OG-SG 3.29Å; S76-C89 VanDerWaalsContact OG-SG 3.35Å; C78-C89 HydrophobicContact CB-CB 3.83Å; C78-C89 WeakPolarHBondContact CB-SG 3.35Å; C78-C89 PolarHBondContact N-SG 2.93Å; C78-C89 VanDerWaalsContact N-SG 3.42Å; C78-C89 WeakPolarHBondContact SG-CA 3.42Å; C78-C89 WeakPolarHBondContact SG-CB 3.34Å; C78-C89 CovalentContact SG-SG 2.04Å; C78-C89 PolarHBondContact SG-SG 3.05Å; H85-C89 PolarHBondContact O-N 3.19Å; N87-C89 VanDerWaalsContact C-N 3.27Å |
| 90 | E | 62.6 | Low | 74.8 | Confident | 167 Ų | 167 | 67.7 Ų | 67.7 | 78% | 0.78 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 139.6 | 177 | -64 | -178.3 | 139.9 | 0 | 0 | 109.9 | E88 | E88-E90 PolarHBondContact O-N 3.31Å; E88-E90 VanDerWaalsContact O-N 3.12Å |
| 91 | P | 55.3 | Low | 75.1 | Confident | 116 Ų | 116 | 67.7 Ų | 67.7 | 75% | 0.753 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -58 | 141.5 | 173.3 | 27.4 | -34.3 | 0 | 0 | 0 | 108.5 | D93 | P91-D93 PolarHBondContact O-N 2.96Š|
| 92 | P | 52.7 | Low | 75.6 | Confident | 52 Ų | 52 | 66.5 Ų | 66.5 | 34% | 0.338 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 140.4 | -171.8 | 22.1 | -33.9 | 0 | 0 | 0 | 111.6 | D77 S94 | D77-P92 WeakPolarHBondContact OD2-CG 3.3Å; P92-S94 PolarHBondContact O-N 2.8Å; P92-S94 VanDerWaalsContact O-N 3.1Å |
| 93 | D | 51.1 | Low | 76.3 | Confident | 139 Ų | 139 | 66 Ų | 66 | 74% | 0.743 | 34% | 0.338 | S | S | * | . | trans | -44.6 | 122.4 | 162.3 | -93.9 | -55.1 | 0 | 0 | 0 | 108.3 | P91 R95 R96 | P91-D93 PolarHBondContact O-N 2.96Å; D93-R95 PolarHBondContact O-N 3.16Å; D93-R96 PolarHBondContact O-N 3.31Å; D93-R96 VanDerWaalsContact O-N 3.08Å | ||
| 94 | S | 55.4 | Low | 76.9 | Confident | 127 Ų | 127 | 64.6 Ų | 64.6 | 89% | 0.888 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | 18.3 | -161.3 | 56.7 | 0 | 0 | 0 | 0 | 115.7 | P92 | P92-S94 PolarHBondContact O-N 2.8Å; P92-S94 VanDerWaalsContact O-N 3.1Å |
| 95 | R | 63.4 | Low | 77.4 | Confident | 213 Ų | 213 | 61.2 Ų | 61.2 | 80% | 0.804 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.1 | -16 | 176.8 | -54.1 | -179.6 | -173 | 177.6 | 2.7 | 113.1 | D93 F195 | D93-R95 PolarHBondContact O-N 3.16Å; R95-F195 WeakPolarHBondContact O-CE1 3.31Å |
| 96 | R | 79.2 | Confident | 77.9 | Confident | 45 Ų | 45 | 60.4 Ų | 60.4 | 17% | 0.17 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -93.8 | 131.1 | -178.7 | -71.1 | -156.2 | 159.1 | -144.9 | -0.4 | 112.1 | D93 S98 F195 D197 K219 A220 D221 | D93-R96 PolarHBondContact O-N 3.31Å; D93-R96 VanDerWaalsContact O-N 3.08Å; R96-S98 PolarHBondContact O-N 2.82Å; R96-F195 HydrophobicContact CB-CD1 4.19Å; R96-F195 HydrophobicContact CB-CE1 4.32Å; R96-F195 HydrophobicContact CG-CD1 3.74Å; R96-F195 HydrophobicContact CG-CE1 3.92Å; R96-D197 IonicContact CZ-OD1 3.22Å; R96-D197 IonicContact NH1-OD1 2.83Å; R96-D197 PolarHBondContact NH1-OD1 3.11Å; R96-K219 VanDerWaalsContact NH2-C 3.29Å; R96-A220 PolarHBondContact NH2-O 2.98Å; R96-D221 IonicContact CZ-OD1 3.54Å; R96-D221 IonicContact CZ-OD2 3.17Å; R96-D221 IonicContact NE-OD1 2.81Å; R96-D221 PolarHBondContact NE-OD1 3.04Å; R96-D221 IonicContact NE-OD2 2.7Å; R96-D221 PolarHBondContact NE-OD2 3.08Å; R96-D221 VanDerWaalsContact NE-OD2 3.16Å; R96-D221 IonicContact NH2-OD1 2.73Å; R96-D221 PolarHBondContact NH2-OD1 3.33Å; R96-D221 IonicContact NH2-OD2 2.68Å; R96-D221 PolarHBondContact NH2-OD2 2.82Å |
| 97 | P | 80.1 | Confident | 78.7 | Confident | 24 Ų | 24 | 58.5 Ų | 58.5 | 16% | 0.156 | 31% | 0.307 | C | S | . | . | trans | -65 | 113 | 168.1 | -21.6 | 33.3 | 0 | 0 | 0 | 111.5 | E99 L145 F147 F195 | P97-E99 PolarHBondContact O-N 3.08Å; P97-L145 HydrophobicContact CB-CD1 4.18Å; P97-L145 HydrophobicContact CB-CD2 3.83Å; P97-L145 HydrophobicContact CG-CD2 3.5Å; P97-F147 HydrophobicContact CB-CE1 4.39Å; P97-F147 HydrophobicContact CB-CZ 4.16Å; P97-F195 VanDerWaalsContact CD-CE2 3.41Å; P97-F195 HydrophobicContact CG-CD2 3.97Å; P97-F195 HydrophobicContact CG-CE2 3.7Å; P97-F195 HydrophobicContact CG-CZ 4.05Å | ||
| 98 | S | 75.3 | Confident | 79.4 | Confident | 44 Ų | 44 | 53.6 Ų | 53.6 | 31% | 0.308 | 28% | 0.281 | S | S | . | . | trans | -66.4 | 124.5 | 174.9 | -58.1 | 0 | 0 | 0 | 0 | 111.5 | R96 I100 | R96-S98 PolarHBondContact O-N 2.82Å; S98-I100 PolarHBondContact O-N 3.45Å | ||
| 99 | E | 88 | Confident | 79.8 | Confident | 12 Ų | 12 | 48 Ų | 48 | 6% | 0.056 | 26% | 0.255 | C | S | . | . | trans | -79.1 | 114.3 | 168.3 | -165.6 | -170.1 | 149.9 | 0 | 0 | 109.4 | P97 V101 S130 S132 F147 R182 R461 | P97-E99 PolarHBondContact O-N 3.08Å; E99-V101 HydrophobicContact CG-CG2 3.99Å; E99-V101 PolarHBondContact O-N 2.85Å; E99-V101 VanDerWaalsContact O-N 3.13Å; E99-V101 WeakPolarHBondContact OE1-CG2 3.2Å; E99-S130 WeakPolarHBondContact CG-OG 3.5Å; E99-S130 WeakPolarHBondContact OE1-CB 3.24Å; E99-S130 PolarHBondContact OE1-OG 2.04Å; E99-S132 WeakPolarHBondContact CG-OG 3.36Å; E99-F147 HydrophobicContact CB-CD1 4.06Å; E99-F147 HydrophobicContact CB-CE1 4.01Å; E99-F147 HydrophobicContact CG-CD1 3.86Å; E99-F147 HydrophobicContact CG-CE1 4.24Å; E99-R182 WeakPolarHBondContact OE2-CD 3.17Å; E99-R182 WeakPolarHBondContact OE2-CG 3.14Å; E99-R182 IonicContact OE2-NE 2.86Å; E99-R461 IonicContact OE1-CZ 2.72Å; E99-R461 IonicContact OE1-NH2 2.64Å; E99-R461 PolarHBondContact OE1-NH2 2.83Å | ||
| 100 | I | 91 | Very high | 80.3 | Confident | 11 Ų | 11 | 48.5 Ų | 48.5 | 6% | 0.056 | 26% | 0.257 | C | S | . | . | trans | -85.3 | 87.8 | 179.9 | -51.8 | 176.7 | 0 | 0 | 0 | 108.6 | S98 V131 S132 L135 F513 V516 | S98-I100 PolarHBondContact O-N 3.45Å; I100-V131 HydrophobicContact CB-CG2 3.96Å; I100-V131 HydrophobicContact CG2-CG2 3.52Å; I100-V131 VanDerWaalsContact O-CG2 3.28Å; I100-V131 WeakPolarHBondContact O-CG2 3.46Å; I100-V131 PolarHBondContact O-N 3.36Å; I100-S132 PolarHBondContact N-OG 2.95Å; I100-S132 PolarHBondContact O-OG 3.44Å; I100-L135 HydrophobicContact CD1-CD1 3.85Å; I100-F513 HydrophobicContact CD1-CD1 4.05Å; I100-F513 HydrophobicContact CD1-CD2 3.96Å; I100-F513 HydrophobicContact CD1-CE1 4.24Å; I100-F513 HydrophobicContact CD1-CE2 4.16Å; I100-F513 HydrophobicContact CD1-CG 3.91Å; I100-F513 HydrophobicContact CD1-CZ 4.29Å; I100-V516 HydrophobicContact CG2-CG2 3.82Å | ||
| 101 | V | 93.9 | Very high | 81.3 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 122.7 | 169.1 | -176.5 | 0 | 0 | 0 | 0 | 109.4 | Q74 E75 E99 S129 | Q74-V101 CarbonylContact C-O 3.58Å; Q74-V101 WeakPolarHBondContact CA-O 2.96Å; E75-V101 HydrophobicContact CB-CB 4.04Å; E75-V101 HydrophobicContact CG-CB 3.92Å; E75-V101 HydrophobicContact CG-CG1 3.92Å; E75-V101 PolarHBondContact N-O 2.87Å; E99-V101 HydrophobicContact CG-CG2 3.99Å; E99-V101 PolarHBondContact O-N 2.85Å; E99-V101 VanDerWaalsContact O-N 3.13Å; E99-V101 WeakPolarHBondContact OE1-CG2 3.2Å; V101-S129 WeakPolarHBondContact CA-O 3.36Å |
| 102 | I | 95.3 | Very high | 82.3 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 163.5 | 174.4 | 52.6 | 171.4 | 0 | 0 | 0 | 112 | L51 V73 T128 S129 V131 L465 V516 F519 L520 | L51-I102 HydrophobicContact CD1-CG2 4.3Å; V73-I102 CarbonylContact O-C 3.53Å; V73-I102 WeakPolarHBondContact O-CA 3.35Å; I102-T128 CarbonylContact O-C 3.52Å; I102-T128 WeakPolarHBondContact O-CA 3.12Å; I102-T128 VanDerWaalsContact O-CB 3.26Å; I102-T128 WeakPolarHBondContact O-CB 3.39Å; I102-S129 WeakPolarHBondContact CG1-O 3.33Å; I102-S129 PolarHBondContact N-O 2.86Å; I102-S129 PolarHBondContact O-N 2.76Å; I102-V131 HydrophobicContact CD1-CG1 3.64Å; I102-V131 HydrophobicContact CG1-CG1 3.94Å; I102-L465 HydrophobicContact CD1-CD1 4.47Å; I102-V516 HydrophobicContact CG2-CG1 3.27Å; I102-F519 HydrophobicContact CD1-CB 3.65Å; I102-L520 HydrophobicContact CB-CD2 4.42Å; I102-L520 HydrophobicContact CD1-CD2 3.92Å; I102-L520 HydrophobicContact CD1-CG 4.07Å |
| 103 | G | 95.6 | Very high | 82.8 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 167 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | V73 T127 | V73-G103 PolarHBondContact N-O 3.15Å; V73-G103 PolarHBondContact O-N 3.11Å; G103-T127 CarbonylContact C-O 3.6Å; G103-T127 WeakPolarHBondContact CA-O 3.29Å |
| 104 | Q | 95.7 | Very high | 82.9 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.019 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 125.9 | 165.7 | -68.4 | -170 | -61 | 0 | 0 | 108.4 | L71 D72 C126 T127 L471 P474 L520 T521 H522 | L71-Q104 WeakPolarHBondContact O-CA 3.17Å; D72-Q104 PolarHBondContact OD1-NE2 3Å; Q104-C126 WeakPolarHBondContact O-CA 3.29Å; Q104-T127 PolarHBondContact N-O 2.97Å; Q104-T127 PolarHBondContact O-N 2.82Å; Q104-L471 HydrophobicContact CB-CD2 4.29Å; Q104-L471 HydrophobicContact CG-CD2 4.07Å; Q104-P474 WeakPolarHBondContact O-CG 3.37Å; Q104-L520 HydrophobicContact CG-CD2 3.56Å; Q104-T521 PolarHBondContact NE2-O 2.77Å; Q104-T521 PolarHBondContact OE1-O 2.99Å; Q104-H522 PolarHBondContact NE2-NE2 3.24Å |
| 105 | C | 95.4 | Very high | 82.8 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.014 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 134.9 | -178.4 | -65.8 | 0 | 0 | 0 | 0 | 110.5 | A70 L71 V107 N125 C126 | A70-C105 CarbonylContact C-O 3.51Å; A70-C105 VanDerWaalsContact CA-O 3.31Å; A70-C105 WeakPolarHBondContact CA-O 3.4Å; L71-C105 HydrophobicContact CB-CB 4.38Å; L71-C105 PolarHBondContact N-O 2.78Å; L71-C105 PolarHBondContact O-N 2.88Å; C105-V107 HydrophobicContact CB-CG2 4.3Å; C105-N125 CarbonylContact C-O 3.6Å; C105-N125 WeakPolarHBondContact CA-O 3.09Å; C105-C126 HydrophobicContact CB-CB 4.1Å; C105-C126 WeakPolarHBondContact CB-SG 3.26Å; C105-C126 WeakPolarHBondContact SG-CB 3.08Å; C105-C126 CovalentContact SG-SG 2.04Å; C105-C126 PolarHBondContact SG-SG 2.93Å |
| 106 | K | 94 | Very high | 82.2 | Confident | 33 Ų | 33 | 37 Ų | 37 | 14% | 0.143 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 135.6 | 158.8 | -76.1 | 170.3 | -173.7 | 161 | 0 | 108.9 | L69 F124 N125 P474 A476 F478 F497 | L69-K106 CarbonylContact O-C 3.55Å; L69-K106 WeakPolarHBondContact O-CA 3.26Å; K106-F124 CarbonylContact O-C 3.56Å; K106-F124 VanDerWaalsContact O-CA 3.26Å; K106-F124 WeakPolarHBondContact O-CA 3.47Å; K106-N125 PolarHBondContact N-O 2.89Å; K106-N125 PolarHBondContact O-N 2.98Å; K106-P474 HydrophobicContact CB-CG 4.33Å; K106-P474 HydrophobicContact CD-CG 4.11Å; K106-P474 WeakPolarHBondContact CE-O 3.35Å; K106-P474 HydrophobicContact CG-CG 3.93Å; K106-P474 PolarHBondContact NZ-O 3.13Å; K106-A476 HydrophobicContact CD-CB 4.02Å; K106-F478 HydrophobicContact CB-CE2 3.88Å; K106-F478 HydrophobicContact CB-CZ 3.85Å; K106-F497 HydrophobicContact CB-CD2 4.25Å; K106-F497 HydrophobicContact CB-CE2 3.86Å; K106-F497 HydrophobicContact CB-CZ 4.21Å; K106-F497 HydrophobicContact CD-CD1 4.26Å; K106-F497 HydrophobicContact CD-CE1 4.28Å; K106-F497 HydrophobicContact CD-CG 4.38Å; K106-F497 HydrophobicContact CD-CZ 4.42Å; K106-F497 HydrophobicContact CG-CD2 4.45Å; K106-F497 HydrophobicContact CG-CE1 4.17Å; K106-F497 HydrophobicContact CG-CE2 4.02Å; K106-F497 HydrophobicContact CG-CZ 3.88Å |
| 107 | V | 93.3 | Very high | 81.2 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 134.3 | -173.9 | -169.8 | 0 | 0 | 0 | 0 | 109.1 | A34 I38 L69 L71 C105 V121 F124 | A34-V107 HydrophobicContact CB-CG1 4.46Å; I38-V107 HydrophobicContact CD1-CB 4.45Å; I38-V107 HydrophobicContact CD1-CG1 3.99Å; I38-V107 HydrophobicContact CD1-CG2 3.56Å; L69-V107 HydrophobicContact CB-CB 4.38Å; L69-V107 PolarHBondContact N-O 2.87Å; L69-V107 PolarHBondContact O-N 2.69Å; L71-V107 HydrophobicContact CD1-CG2 3.97Å; L71-V107 HydrophobicContact CG-CG2 4.38Å; C105-V107 HydrophobicContact CB-CG2 4.3Å; V107-V121 HydrophobicContact CG1-CG1 3.93Å; V107-V121 HydrophobicContact CG1-CG2 4.22Å; V107-F124 HydrophobicContact CG1-CB 4.34Å; V107-F124 HydrophobicContact CG2-CB 4.27Å |
| 108 | I | 90.9 | Very high | 80.9 | Confident | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 120.4 | 165.7 | -56.9 | -175.9 | 0 | 0 | 0 | 107.4 | V66 Y67 Y68 I122 D123 F478 I494 F497 | V66-I108 HydrophobicContact CG1-CG2 3.88Å; Y67-I108 WeakPolarHBondContact O-CA 3.44Å; Y68-I108 HydrophobicContact CD1-CD1 4.19Å; Y68-I108 HydrophobicContact CD1-CG1 4.04Å; Y68-I108 HydrophobicContact CE1-CD1 4.12Å; Y68-I108 HydrophobicContact CE1-CG1 4.35Å; Y68-I108 HydrophobicContact CE1-CG2 4.36Å; I108-I122 HydrophobicContact CG2-CB 4.44Å; I108-I122 HydrophobicContact CG2-CD1 4.37Å; I108-I122 WeakPolarHBondContact O-CB 3.47Å; I108-I122 PolarHBondContact O-N 2.8Å; I108-D123 PolarHBondContact N-O 2.87Å; I108-D123 PolarHBondContact O-N 2.88Å; I108-F478 HydrophobicContact CD1-CB 3.77Å; I108-F478 HydrophobicContact CD1-CD1 4.29Å; I108-F478 HydrophobicContact CD1-CD2 3.61Å; I108-F478 HydrophobicContact CD1-CE2 4.3Å; I108-F478 HydrophobicContact CD1-CG 3.6Å; I108-F478 HydrophobicContact CG1-CD2 4.08Å; I108-F478 HydrophobicContact CG1-CE2 4.28Å; I108-F478 HydrophobicContact CG1-CG 4.26Å; I108-I494 HydrophobicContact CD1-CG2 3.81Å; I108-I494 HydrophobicContact CG2-CG2 4.04Å; I108-F497 HydrophobicContact CG1-CD2 4.43Å |
| 109 | A | 90.6 | Very high | 81.4 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 162.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V66 Y67 L119 R120 V121 | V66-A109 CarbonylContact C-O 3.52Å; V66-A109 WeakPolarHBondContact CA-O 3.33Å; Y67-A109 PolarHBondContact N-O 2.76Å; Y67-A109 PolarHBondContact O-N 2.86Å; A109-L119 HydrophobicContact CB-CD1 4.2Å; A109-R120 CarbonylContact C-O 3.56Å; A109-R120 VanDerWaalsContact CA-O 3.26Å; A109-R120 WeakPolarHBondContact CA-O 3.37Å; A109-V121 HydrophobicContact CB-CG2 4.38Å |
| 110 | T | 87.9 | Confident | 81.4 | Confident | 23 Ų | 23 | 45.3 Ų | 45.3 | 14% | 0.141 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 143.2 | 172.6 | 46 | 0 | 0 | 0 | 0 | 111.4 | T65 V66 L119 R120 I122 | T65-T110 VanDerWaalsContact O-CA 3.27Å; T65-T110 WeakPolarHBondContact O-CA 3.13Å; V66-T110 HydrophobicContact CB-CG2 4.32Å; V66-T110 HydrophobicContact CG1-CG2 4.17Å; V66-T110 HydrophobicContact CG2-CG2 4.03Å; T110-L119 CarbonylContact O-C 3.47Å; T110-L119 WeakPolarHBondContact O-CA 3.32Å; T110-R120 PolarHBondContact N-O 2.87Å; T110-R120 PolarHBondContact O-N 3Å; T110-I122 HydrophobicContact CG2-CD1 3.69Å; T110-I122 HydrophobicContact CG2-CG1 4.49Å |
| 111 | G | 83.8 | Confident | 81.3 | Confident | 5 Ų | 5 | 45 Ų | 45 | 5% | 0.052 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 147.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | A64 T65 | A64-G111 WeakPolarHBondContact CA-O 3.45Å; T65-G111 PolarHBondContact N-O 3.48Å; T65-G111 PolarHBondContact O-N 2.95Å |
| 112 | H | 76.7 | Confident | 81 | Confident | 93 Ų | 93 | 46.7 Ų | 46.7 | 43% | 0.431 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 143.3 | 176.5 | -62.7 | 112.7 | 0 | 0 | 0 | 111.1 | H114 D118 | H112-H114 PolarHBondContact O-N 2.89Å; H112-H114 VanDerWaalsContact O-N 3.1Å; H112-D118 IonicContact CE1-OD2 3.18Å; H112-D118 IonicContact CG-OD2 2.68Å; H112-D118 IonicContact ND1-OD2 2.91Å; H112-D118 PolarHBondContact ND1-OD2 2.69Å |
| 113 | S | 61.4 | Low | 80.6 | Confident | 84 Ų | 84 | 47.2 Ų | 47.2 | 59% | 0.587 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -13.8 | -172.1 | 56.4 | 0 | 0 | 0 | 0 | 115 | N63 | N63-S113 PolarHBondContact O-N 2.74Å; N63-S113 PolarHBondContact O-OG 2.82Å |
| 114 | H | 54.1 | Low | 80.4 | Confident | 173 Ų | 173 | 47.4 Ų | 47.4 | 80% | 0.801 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -23.5 | -172.3 | -141.1 | -79 | 0 | 0 | 0 | 114.3 | H112 | H112-H114 PolarHBondContact O-N 2.89Å; H112-H114 VanDerWaalsContact O-N 3.1Å |
| 115 | E | 53.5 | Low | 80.3 | Confident | 130 Ų | 130 | 48.4 Ų | 48.4 | 61% | 0.607 | 25% | 0.248 | S | C | * | . | trans | -146.6 | 115.1 | -179.2 | -67.4 | -173 | 178.4 | 0 | 0 | 111.5 | Q117 D118 | E115-Q117 PolarHBondContact O-N 3.35Å; E115-D118 PolarHBondContact O-N 2.81Å | ||
| 116 | S | 51 | Low | 80.2 | Confident | 89 Ų | 89 | 48.3 Ų | 48.3 | 62% | 0.622 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | 8.5 | -175.6 | 64.7 | 0 | 0 | 0 | 0 | 115.3 | K33 | K33-S116 PolarHBondContact NZ-O 2.97Š|
| 117 | Q | 56.9 | Low | 80.3 | Confident | 175 Ų | 175 | 47.3 Ų | 47.3 | 82% | 0.818 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -21.1 | 173.4 | -63.4 | -176.6 | -0.6 | 0 | 0 | 112.4 | E115 L119 | E115-Q117 PolarHBondContact O-N 3.35Å; Q117-L119 PolarHBondContact O-N 2.74Å |
| 118 | D | 74.8 | Confident | 80.4 | Confident | 40 Ų | 40 | 47.4 Ų | 47.4 | 21% | 0.214 | 25% | 0.245 | C | C | . | . | trans | -86 | 36 | -173.5 | -162.9 | 31.1 | 0 | 0 | 0 | 113.4 | H112 E115 R120 | H112-D118 IonicContact CE1-OD2 3.18Å; H112-D118 IonicContact CG-OD2 2.68Å; H112-D118 IonicContact ND1-OD2 2.91Å; H112-D118 PolarHBondContact ND1-OD2 2.69Å; E115-D118 PolarHBondContact O-N 2.81Å; D118-R120 IonicContact OD1-CZ 3.16Å; D118-R120 IonicContact OD1-NE 2.77Å; D118-R120 PolarHBondContact OD1-NE 2.91Å; D118-R120 IonicContact OD1-NH2 2.77Å; D118-R120 PolarHBondContact OD1-NH2 3.01Å | ||
| 119 | L | 86.5 | Confident | 80.6 | Confident | 11 Ų | 11 | 47.2 Ų | 47.2 | 6% | 0.058 | 24% | 0.244 | C | C | . | . | trans | -74.6 | 134.4 | 175.3 | -171.3 | 74.4 | 0 | 0 | 0 | 110.1 | E30 K33 A34 L37 Y67 A109 T110 Q117 | E30-L119 WeakPolarHBondContact O-CD2 3.32Å; K33-L119 HydrophobicContact CB-CD2 3.57Å; K33-L119 HydrophobicContact CD-CD2 4.34Å; A34-L119 HydrophobicContact CB-CD2 4.25Å; L37-L119 VanDerWaalsContact CD1-O 3.29Å; L37-L119 WeakPolarHBondContact CD1-O 3.19Å; Y67-L119 HydrophobicContact CD2-CD1 3.74Å; Y67-L119 HydrophobicContact CE2-CD1 3.67Å; A109-L119 HydrophobicContact CB-CD1 4.2Å; T110-L119 CarbonylContact O-C 3.47Å; T110-L119 WeakPolarHBondContact O-CA 3.32Å; Q117-L119 PolarHBondContact O-N 2.74Å | ||
| 120 | R | 87.1 | Confident | 80.8 | Confident | 72 Ų | 72 | 47.2 Ų | 47.2 | 27% | 0.272 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 115.9 | -177.3 | -53 | -172 | 177.4 | -109.3 | 0.9 | 110.2 | A109 T110 D118 I122 G254 | A109-R120 CarbonylContact C-O 3.56Å; A109-R120 VanDerWaalsContact CA-O 3.26Å; A109-R120 WeakPolarHBondContact CA-O 3.37Å; T110-R120 PolarHBondContact N-O 2.87Å; T110-R120 PolarHBondContact O-N 3Å; D118-R120 IonicContact OD1-CZ 3.16Å; D118-R120 IonicContact OD1-NE 2.77Å; D118-R120 PolarHBondContact OD1-NE 2.91Å; D118-R120 IonicContact OD1-NH2 2.77Å; D118-R120 PolarHBondContact OD1-NH2 3.01Å; R120-I122 PolarHBondContact O-N 2.88Å; R120-G254 WeakPolarHBondContact CD-O 3.44Å; R120-G254 VanDerWaalsContact CG-O 3.26Å; R120-G254 WeakPolarHBondContact CG-O 3.32Å; R120-G254 PolarHBondContact NH1-O 2.9Å |
| 121 | V | 88.9 | Confident | 81.1 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.024 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 122.9 | 170 | 176.2 | 0 | 0 | 0 | 0 | 108.6 | A34 L37 I38 R41 V107 A109 F124 | A34-V121 HydrophobicContact CB-CG2 4.16Å; L37-V121 HydrophobicContact CB-CG2 3.78Å; L37-V121 HydrophobicContact CD1-CG2 4.19Å; I38-V121 HydrophobicContact CG1-CG1 4.28Å; I38-V121 HydrophobicContact CG1-CG2 4.34Å; R41-V121 PolarHBondContact NH2-O 3Å; V107-V121 HydrophobicContact CG1-CG1 3.93Å; V107-V121 HydrophobicContact CG1-CG2 4.22Å; A109-V121 HydrophobicContact CB-CG2 4.38Å; V121-F124 HydrophobicContact CG1-CD1 4.07Å |
| 122 | I | 86.8 | Confident | 81.5 | Confident | 37 Ų | 37 | 46.1 Ų | 46.1 | 19% | 0.19 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | -71.9 | 174.2 | -60.8 | -176.7 | 0 | 0 | 0 | 107.7 | R41 I108 T110 R120 P456 I494 | R41-I122 PolarHBondContact NH1-O 2.81Å; I108-I122 HydrophobicContact CG2-CB 4.44Å; I108-I122 HydrophobicContact CG2-CD1 4.37Å; I108-I122 WeakPolarHBondContact O-CB 3.47Å; I108-I122 PolarHBondContact O-N 2.8Å; T110-I122 HydrophobicContact CG2-CD1 3.69Å; T110-I122 HydrophobicContact CG2-CG1 4.49Å; R120-I122 PolarHBondContact O-N 2.88Å; I122-P456 WeakPolarHBondContact O-CB 3.34Å; I122-I494 HydrophobicContact CD1-CD1 3.82Å; I122-I494 HydrophobicContact CG2-CD1 4.12Å |
| 123 | D | 88.6 | Confident | 82.1 | Confident | 11 Ų | 11 | 44.7 Ų | 44.7 | 6% | 0.059 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 156.9 | -178.1 | -156.4 | -1 | 0 | 0 | 0 | 109.6 | I108 R454 G457 F478 | I108-D123 PolarHBondContact N-O 2.87Å; I108-D123 PolarHBondContact O-N 2.88Å; D123-R454 IonicContact OD2-NH1 3.53Å; D123-R454 PolarHBondContact OD2-NH1 2.84Å; D123-G457 PolarHBondContact OD1-N 2.77Å; D123-F478 HydrophobicContact CB-CD1 3.87Å; D123-F478 HydrophobicContact CB-CE1 4.24Å |
| 124 | F | 91.4 | Very high | 83.4 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 2% | 0.022 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 153.5 | 176.9 | 69.5 | -97.8 | 0 | 0 | 0 | 111.5 | I38 R42 K106 V107 V121 G457 S458 V459 | I38-F124 HydrophobicContact CB-CE1 4.34Å; I38-F124 HydrophobicContact CD1-CB 4.06Å; I38-F124 HydrophobicContact CD1-CD1 4.26Å; I38-F124 HydrophobicContact CD1-CG 4.06Å; I38-F124 HydrophobicContact CG1-CB 4.4Å; I38-F124 HydrophobicContact CG1-CD1 3.68Å; I38-F124 HydrophobicContact CG1-CE1 3.97Å; I38-F124 HydrophobicContact CG1-CG 3.98Å; I38-F124 HydrophobicContact CG2-CD1 4.41Å; I38-F124 HydrophobicContact CG2-CD2 4.29Å; I38-F124 HydrophobicContact CG2-CE1 4.03Å; I38-F124 HydrophobicContact CG2-CE2 3.96Å; I38-F124 HydrophobicContact CG2-CZ 3.82Å; R42-F124 HydrophobicContact CG-CZ 4.22Å; K106-F124 CarbonylContact O-C 3.56Å; K106-F124 VanDerWaalsContact O-CA 3.26Å; K106-F124 WeakPolarHBondContact O-CA 3.47Å; V107-F124 HydrophobicContact CG1-CB 4.34Å; V107-F124 HydrophobicContact CG2-CB 4.27Å; V121-F124 HydrophobicContact CG1-CD1 4.07Å; F124-G457 VanDerWaalsContact CD1-CA 3.46Å; F124-G457 VanDerWaalsContact CZ-CA 3.49Å; F124-G457 CarbonylContact O-C 3.55Å; F124-G457 VanDerWaalsContact O-CA 3.28Å; F124-G457 WeakPolarHBondContact O-CA 3.43Å; F124-S458 PolarHBondContact O-N 3.49Å; F124-V459 HydrophobicContact CE2-CG2 4Å |
| 125 | N | 92.9 | Very high | 85 | Confident | 24 Ų | 24 | 35 Ų | 35 | 13% | 0.128 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 117.5 | 172.5 | -166.4 | 22.3 | 0 | 0 | 0 | 110 | C105 K106 S458 P474 E475 F478 | C105-N125 CarbonylContact C-O 3.6Å; C105-N125 WeakPolarHBondContact CA-O 3.09Å; K106-N125 PolarHBondContact N-O 2.89Å; K106-N125 PolarHBondContact O-N 2.98Å; N125-S458 WeakPolarHBondContact CA-O 3.38Å; N125-S458 PolarHBondContact OD1-OG 2.69Å; N125-P474 WeakPolarHBondContact O-CB 3.5Å; N125-E475 PolarHBondContact ND2-O 2.97Å; N125-F478 HydrophobicContact CB-CE1 4.13Å; N125-F478 HydrophobicContact CB-CZ 4.03Å |
| 126 | C | 94 | Very high | 86.6 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 133.8 | 179.4 | -60.7 | 0 | 0 | 0 | 0 | 110.6 | F48 Q104 C105 S458 V459 Y460 | F48-C126 HydrophobicContact CE2-CB 4.32Å; Q104-C126 WeakPolarHBondContact O-CA 3.29Å; C105-C126 HydrophobicContact CB-CB 4.1Å; C105-C126 WeakPolarHBondContact CB-SG 3.26Å; C105-C126 WeakPolarHBondContact SG-CB 3.08Å; C105-C126 CovalentContact SG-SG 2.04Å; C105-C126 PolarHBondContact SG-SG 2.93Å; C126-S458 PolarHBondContact N-O 2.84Å; C126-V459 HydrophobicContact CB-CG1 4.32Å; C126-V459 HydrophobicContact CB-CG2 4.24Å; C126-V459 CarbonylContact O-C 3.56Å; C126-V459 WeakPolarHBondContact O-CA 3.5Å; C126-Y460 PolarHBondContact O-N 3.37Å |
| 127 | T | 95.1 | Very high | 88.1 | Confident | 13 Ų | 13 | 28.9 Ų | 28.9 | 8% | 0.08 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 135.3 | 165.5 | -61 | 0 | 0 | 0 | 0 | 107.8 | G103 Q104 Y460 L462 L471 P472 | G103-T127 CarbonylContact C-O 3.6Å; G103-T127 WeakPolarHBondContact CA-O 3.29Å; Q104-T127 PolarHBondContact N-O 2.97Å; Q104-T127 PolarHBondContact O-N 2.82Å; T127-Y460 CarbonylContact C-O 3.49Å; T127-Y460 WeakPolarHBondContact CA-O 3.46Å; T127-L462 HydrophobicContact CG2-CD1 3.5Å; T127-L462 HydrophobicContact CG2-CG 4.05Å; T127-L471 HydrophobicContact CG2-CD1 4.34Å; T127-L471 HydrophobicContact CG2-CG 4.39Å; T127-P472 HydrophobicContact CG2-CG 4.47Å |
| 128 | T | 95.5 | Very high | 89.1 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 157.7 | -178.8 | 59.6 | 0 | 0 | 0 | 0 | 112.2 | F48 I102 V459 Y460 R461 L462 | F48-T128 HydrophobicContact CE1-CG2 3.94Å; F48-T128 HydrophobicContact CZ-CG2 3.87Å; I102-T128 CarbonylContact O-C 3.52Å; I102-T128 WeakPolarHBondContact O-CA 3.12Å; I102-T128 VanDerWaalsContact O-CB 3.26Å; I102-T128 WeakPolarHBondContact O-CB 3.39Å; T128-V459 HydrophobicContact CG2-CG1 4.05Å; T128-Y460 PolarHBondContact N-O 3.36Å; T128-R461 WeakPolarHBondContact O-CA 3.19Å; T128-R461 WeakPolarHBondContact OG1-CA 3.35Å; T128-L462 PolarHBondContact O-N 2.95Å |
| 129 | S | 95.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 150.3 | 170.6 | 179.3 | 0 | 0 | 0 | 0 | 111.2 | V101 I102 P463 S464 L465 L471 | V101-S129 WeakPolarHBondContact CA-O 3.36Å; I102-S129 WeakPolarHBondContact CG1-O 3.33Å; I102-S129 PolarHBondContact N-O 2.86Å; I102-S129 PolarHBondContact O-N 2.76Å; S129-P463 PolarHBondContact OG-O 3.45Å; S129-S464 WeakPolarHBondContact OG-CA 3.42Å; S129-L465 PolarHBondContact OG-N 3.17Å; S129-L471 VanDerWaalsContact CB-CD1 3.47Å |
| 130 | S | 94.6 | Very high | 88.3 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.014 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 137.3 | 166.2 | -147.1 | 0 | 0 | 0 | 0 | 110.2 | E99 S132 S464 L465 | E99-S130 WeakPolarHBondContact CG-OG 3.5Å; E99-S130 WeakPolarHBondContact OE1-CB 3.24Å; E99-S130 PolarHBondContact OE1-OG 2.04Å; S130-S132 PolarHBondContact OG-OG 3.05Å; S130-S464 CarbonylContact O-C 3.54Å; S130-S464 VanDerWaalsContact O-CA 3.3Å; S130-S464 WeakPolarHBondContact O-CA 3.29Å; S130-L465 PolarHBondContact O-N 3.3Å |
| 131 | V | 93.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -112.4 | -1.5 | 167.7 | -67.8 | 0 | 0 | 0 | 0 | 111.9 | I100 I102 S133 A134 L135 L465 V516 F519 | I100-V131 HydrophobicContact CB-CG2 3.96Å; I100-V131 HydrophobicContact CG2-CG2 3.52Å; I100-V131 VanDerWaalsContact O-CG2 3.28Å; I100-V131 WeakPolarHBondContact O-CG2 3.46Å; I100-V131 PolarHBondContact O-N 3.36Å; I102-V131 HydrophobicContact CD1-CG1 3.64Å; I102-V131 HydrophobicContact CG1-CG1 3.94Å; V131-S133 PolarHBondContact O-N 2.91Å; V131-A134 PolarHBondContact O-N 3Å; V131-L135 HydrophobicContact CB-CD1 4.35Å; V131-L135 HydrophobicContact CG2-CD1 3.82Å; V131-L135 PolarHBondContact O-N 2.99Å; V131-L465 HydrophobicContact CG1-CB 4.2Å; V131-L465 HydrophobicContact CG1-CD1 4.11Å; V131-V516 HydrophobicContact CG2-CG2 4.42Å; V131-F519 HydrophobicContact CB-CD1 4.37Å; V131-F519 HydrophobicContact CB-CD2 4.39Å; V131-F519 HydrophobicContact CB-CE1 4.37Å; V131-F519 HydrophobicContact CB-CE2 4.42Å; V131-F519 HydrophobicContact CB-CG 4.36Å; V131-F519 HydrophobicContact CB-CZ 4.4Å; V131-F519 HydrophobicContact CG1-CB 3.83Å; V131-F519 HydrophobicContact CG1-CD1 3.58Å; V131-F519 HydrophobicContact CG1-CD2 4.04Å; V131-F519 HydrophobicContact CG1-CE1 4.04Å; V131-F519 HydrophobicContact CG1-CE2 4.47Å; V131-F519 HydrophobicContact CG1-CG 3.57Å; V131-F519 HydrophobicContact CG1-CZ 4.46Å | ||
| 132 | S | 91.8 | Very high | 87.2 | Confident | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.028 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -47.7 | -54.4 | -176.5 | -42.9 | 0 | 0 | 0 | 0 | 112.6 | E99 I100 S130 A134 L135 A136 | E99-S132 WeakPolarHBondContact CG-OG 3.36Å; I100-S132 PolarHBondContact N-OG 2.95Å; I100-S132 PolarHBondContact O-OG 3.44Å; S130-S132 PolarHBondContact OG-OG 3.05Å; S132-A134 PolarHBondContact O-N 3.1Å; S132-A134 VanDerWaalsContact O-N 3.16Å; S132-L135 PolarHBondContact O-N 2.88Å; S132-L135 VanDerWaalsContact O-N 3.08Å; S132-A136 VanDerWaalsContact O-CB 3.25Å; S132-A136 WeakPolarHBondContact O-CB 3.36Å; S132-A136 PolarHBondContact O-N 2.87Å |
| 133 | S | 89.3 | Confident | 87.1 | Confident | 63 Ų | 63 | 44 Ų | 44 | 44% | 0.441 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67.7 | -13.6 | -179 | -53.9 | 0 | 0 | 0 | 0 | 114.8 | V131 | V131-S133 PolarHBondContact O-N 2.91Å |
| 134 | A | 89.3 | Confident | 87.1 | Confident | 20 Ų | 20 | 47.7 Ų | 47.7 | 17% | 0.165 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -96.1 | -13.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | V131 S132 L465 K467 F519 | V131-A134 PolarHBondContact O-N 3Å; S132-A134 PolarHBondContact O-N 3.1Å; S132-A134 VanDerWaalsContact O-N 3.16Å; A134-L465 WeakPolarHBondContact CB-O 3.47Å; A134-K467 HydrophobicContact CB-CB 4.34Å; A134-F519 HydrophobicContact CB-CE1 3.91Å; A134-F519 HydrophobicContact CB-CZ 3.79Å |
| 135 | L | 88.1 | Confident | 87 | Confident | 33 Ų | 33 | 49.5 Ų | 49.5 | 17% | 0.173 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -104.8 | -25.8 | 176.2 | -67.1 | 175.2 | 0 | 0 | 0 | 112.8 | I100 V131 S132 Q515 V516 F519 | I100-L135 HydrophobicContact CD1-CD1 3.85Å; V131-L135 HydrophobicContact CB-CD1 4.35Å; V131-L135 HydrophobicContact CG2-CD1 3.82Å; V131-L135 PolarHBondContact O-N 2.99Å; S132-L135 PolarHBondContact O-N 2.88Å; S132-L135 VanDerWaalsContact O-N 3.08Å; L135-Q515 HydrophobicContact CD2-CB 4.02Å; L135-V516 HydrophobicContact CD1-CG2 3.79Å; L135-F519 HydrophobicContact CD2-CE2 3.98Å; L135-F519 HydrophobicContact CD2-CZ 4.45Å; L135-F519 HydrophobicContact CG-CE2 4.28Å |
| 136 | A | 86.6 | Confident | 87 | Confident | 23 Ų | 23 | 50.5 Ų | 50.5 | 19% | 0.19 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -66.3 | 167.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S132 T138 L145 F147 | S132-A136 VanDerWaalsContact O-CB 3.25Å; S132-A136 WeakPolarHBondContact O-CB 3.36Å; S132-A136 PolarHBondContact O-N 2.87Å; A136-T138 VanDerWaalsContact C-N 3.33Å; A136-T138 PolarHBondContact O-N 3.36Å; A136-L145 HydrophobicContact CB-CB 4.28Å; A136-F147 HydrophobicContact CB-CE2 4.17Å |
| 137 | N | 82.8 | Confident | 86.9 | Confident | 69 Ų | 69 | 51.9 Ų | 51.9 | 37% | 0.369 | 29% | 0.292 | S | S | . | . | trans | 54.9 | 44.7 | 170.2 | -53.4 | -37.9 | 0 | 0 | 0 | 113.5 | L144 L145 | N137-L144 HydrophobicContact CB-CD2 4.34Å; N137-L144 WeakPolarHBondContact OD1-CA 3.46Å; N137-L145 PolarHBondContact ND2-O 3Å; N137-L145 PolarHBondContact OD1-N 3.18Å; N137-L145 PolarHBondContact OD1-O 2.89Å | ||
| 138 | T | 77.7 | Confident | 86.7 | Confident | 84 Ų | 84 | 53.6 Ų | 53.6 | 52% | 0.515 | 30% | 0.298 | S | S | . | . | trans | -59.2 | 150.9 | 165.8 | 53.6 | 0 | 0 | 0 | 0 | 110.1 | A136 D140 S141 | A136-T138 VanDerWaalsContact C-N 3.33Å; A136-T138 PolarHBondContact O-N 3.36Å; T138-D140 PolarHBondContact O-N 2.69Å; T138-S141 WeakPolarHBondContact O-CB 3.33Å; T138-S141 PolarHBondContact O-N 3.41Å | ||
| 139 | K | 70.9 | Confident | 86.3 | Confident | 210 Ų | 210 | 59.1 Ų | 59.1 | 91% | 0.913 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -21.4 | -171.1 | -71.1 | -171.8 | 174.9 | -174.6 | 0 | 114.9 | ||
| 140 | D | 74.7 | Confident | 86 | Confident | 151 Ų | 151 | 64.7 Ų | 64.7 | 81% | 0.807 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | 0.7 | -174.2 | -44.2 | -72.9 | 0 | 0 | 0 | 112.2 | T138 P142 | T138-D140 PolarHBondContact O-N 2.69Å; D140-P142 WeakPolarHBondContact O-CD 3.4Å |
| 141 | S | 73.9 | Confident | 85.9 | Confident | 47 Ų | 47 | 65.7 Ų | 65.7 | 33% | 0.329 | 36% | 0.36 | S | S | . | . | trans | -78.8 | 122.5 | 176.3 | -171.4 | 0 | 0 | 0 | 0 | 111.2 | T138 V143 | T138-S141 WeakPolarHBondContact O-CB 3.33Å; T138-S141 PolarHBondContact O-N 3.41Å; S141-V143 PolarHBondContact O-N 2.7Å; S141-V143 PolarHBondContact OG-N 3.06Å; S141-V143 PolarHBondContact OG-O 3.44Å | ||
| 142 | P | 77.1 | Confident | 85.8 | Confident | 126 Ų | 126 | 69.2 Ų | 69.2 | 82% | 0.818 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -76.4 | -11.4 | 172.7 | 32.6 | -34.9 | 0 | 0 | 0 | 112.8 | D140 | D140-P142 WeakPolarHBondContact O-CD 3.4Š|
| 143 | V | 84.6 | Confident | 85.8 | Confident | 38 Ų | 38 | 72.6 Ų | 72.6 | 23% | 0.23 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -111.8 | 138.2 | -177.7 | 168.6 | 0 | 0 | 0 | 0 | 109.2 | S141 L145 E186 | S141-V143 PolarHBondContact O-N 2.7Å; S141-V143 PolarHBondContact OG-N 3.06Å; S141-V143 PolarHBondContact OG-O 3.44Å; V143-L145 HydrophobicContact CG1-CD2 4.32Å; V143-E186 HydrophobicContact CG1-CG 3.28Å; V143-E186 WeakPolarHBondContact CG1-OE1 3.48Å |
| 144 | L | 88.9 | Confident | 86 | Confident | 89 Ų | 89 | 70.6 Ų | 70.6 | 47% | 0.466 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 130.6 | 175.3 | -64.1 | 176.9 | 0 | 0 | 0 | 111.1 | N137 E186 K187 | N137-L144 HydrophobicContact CB-CD2 4.34Å; N137-L144 WeakPolarHBondContact OD1-CA 3.46Å; L144-E186 CarbonylContact O-C 3.57Å; L144-E186 WeakPolarHBondContact O-CA 3.14Å; L144-K187 HydrophobicContact CB-CB 4.39Å; L144-K187 PolarHBondContact N-O 2.88Å; L144-K187 VanDerWaalsContact N-O 3.11Å; L144-K187 PolarHBondContact O-N 2.8Å |
| 145 | L | 90.6 | Very high | 86.2 | Confident | 42 Ų | 42 | 72.8 Ų | 72.8 | 22% | 0.22 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 125.4 | 178.3 | -63.1 | 176.5 | 0 | 0 | 0 | 110.5 | P97 A136 N137 V143 F147 R185 E186 | P97-L145 HydrophobicContact CB-CD1 4.18Å; P97-L145 HydrophobicContact CB-CD2 3.83Å; P97-L145 HydrophobicContact CG-CD2 3.5Å; A136-L145 HydrophobicContact CB-CB 4.28Å; N137-L145 PolarHBondContact ND2-O 3Å; N137-L145 PolarHBondContact OD1-N 3.18Å; N137-L145 PolarHBondContact OD1-O 2.89Å; V143-L145 HydrophobicContact CG1-CD2 4.32Å; L145-F147 HydrophobicContact CB-CE2 4.01Å; L145-R185 CarbonylContact C-O 3.58Å; L145-R185 WeakPolarHBondContact CA-O 3.28Å; L145-E186 HydrophobicContact CD2-CB 3.83Å; L145-E186 HydrophobicContact CD2-CG 3.8Å |
| 146 | D | 91.6 | Very high | 86.5 | Confident | 45 Ų | 45 | 76.3 Ų | 76.3 | 24% | 0.241 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 131.5 | 170.6 | -53.5 | -67.9 | 0 | 0 | 0 | 109.3 | F148 A184 R185 K187 | D146-F148 HydrophobicContact CB-CE2 3.94Å; D146-F148 HydrophobicContact CB-CZ 3.79Å; D146-A184 CarbonylContact O-C 3.53Å; D146-A184 WeakPolarHBondContact O-CA 3.48Å; D146-R185 HydrophobicContact CB-CB 4.35Å; D146-R185 PolarHBondContact N-O 2.84Å; D146-R185 PolarHBondContact O-N 2.69Å; D146-R185 IonicContact OD2-CZ 2.85Å; D146-R185 IonicContact OD2-NE 3.76Å; D146-R185 PolarHBondContact OD2-NE 3.43Å; D146-R185 IonicContact OD2-NH2 3.84Å; D146-R185 PolarHBondContact OD2-NH2 2.84Å; D146-K187 IonicContact OD1-NZ 2.67Å; D146-K187 WeakPolarHBondContact OD2-CE 3.32Å; D146-K187 IonicContact OD2-NZ 3.87Å; D146-K187 PolarHBondContact OD2-NZ 3.38Å |
| 147 | F | 92.5 | Very high | 86.8 | Confident | 30 Ų | 30 | 76 Ų | 76 | 13% | 0.132 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 139.1 | 173.8 | -61.9 | -93.9 | 0 | 0 | 0 | 109.4 | P97 E99 A136 L145 A184 | P97-F147 HydrophobicContact CB-CE1 4.39Å; P97-F147 HydrophobicContact CB-CZ 4.16Å; E99-F147 HydrophobicContact CB-CD1 4.06Å; E99-F147 HydrophobicContact CB-CE1 4.01Å; E99-F147 HydrophobicContact CG-CD1 3.86Å; E99-F147 HydrophobicContact CG-CE1 4.24Å; A136-F147 HydrophobicContact CB-CE2 4.17Å; L145-F147 HydrophobicContact CB-CE2 4.01Å; F147-A184 HydrophobicContact CD1-CB 3.74Å; F147-A184 HydrophobicContact CE1-CB 3.82Å |
| 148 | F | 91.2 | Very high | 87.4 | Confident | 48 Ų | 48 | 72.7 Ų | 72.7 | 21% | 0.211 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 131.6 | -170 | -57.6 | -93 | 0 | 0 | 0 | 112.6 | D146 T151 Y154 V183 R185 | D146-F148 HydrophobicContact CB-CE2 3.94Å; D146-F148 HydrophobicContact CB-CZ 3.79Å; F148-T151 WeakPolarHBondContact O-CG2 3.41Å; F148-Y154 HydrophobicContact CB-CE2 4.37Å; F148-Y154 HydrophobicContact CD1-CE2 4.1Å; F148-Y154 HydrophobicContact CD2-CE2 4.22Å; F148-Y154 HydrophobicContact CE1-CE2 4.48Å; F148-Y154 WeakPolarHBondContact CE1-OH 3.38Å; F148-Y154 AromaticContact CG-CE2 3.96Å; F148-Y154 HydrophobicContact CG-CE2 3.96Å; F148-Y154 WeakPolarHBondContact CZ-OH 3.26Å; F148-V183 HydrophobicContact CB-CB 4.35Å; F148-V183 HydrophobicContact CD2-CB 4.23Å; F148-V183 HydrophobicContact CD2-CG1 3.86Å; F148-V183 HydrophobicContact CE2-CG1 4.45Å; F148-V183 PolarHBondContact N-O 2.87Å; F148-V183 VanDerWaalsContact N-O 3.1Å; F148-R185 HydrophobicContact CE2-CB 3.69Å; F148-R185 HydrophobicContact CZ-CB 4.13Å |
| 149 | E | 87.5 | Confident | 88.3 | Confident | 118 Ų | 118 | 71.6 Ų | 71.6 | 55% | 0.551 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -83.4 | -35.9 | 171.7 | -63.5 | -177.9 | 179.8 | 0 | 0 | 112.2 | T151 S464 | E149-T151 PolarHBondContact O-N 3.41Å; E149-S464 WeakPolarHBondContact OE1-CB 3.09Å; E149-S464 PolarHBondContact OE1-N 2.93Å; E149-S464 PolarHBondContact OE1-OG 2.78Å |
| 150 | D | 88.8 | Confident | 89.4 | Confident | 117 Ų | 117 | 65.6 Ų | 65.6 | 63% | 0.626 | 34% | 0.343 | S | S | * | . | trans | -86.5 | 80.6 | 172.6 | -172.8 | -1 | 0 | 0 | 0 | 109.8 | S153 | D150-S153 PolarHBondContact O-OG 3.13Å; D150-S153 VanDerWaalsContact O-OG 3.05Å | ||
| 151 | T | 92.3 | Very high | 90.4 | Very high | 22 Ų | 22 | 58.4 Ų | 58.4 | 14% | 0.135 | 31% | 0.305 | C | S | . | . | trans | -77.1 | -26.5 | -175.7 | 56.4 | 0 | 0 | 0 | 0 | 113.3 | F148 E149 S153 Y154 I180 V183 | F148-T151 WeakPolarHBondContact O-CG2 3.41Å; E149-T151 PolarHBondContact O-N 3.41Å; T151-S153 PolarHBondContact O-N 2.85Å; T151-Y154 WeakPolarHBondContact O-CB 3.03Å; T151-Y154 PolarHBondContact O-N 3.42Å; T151-I180 PolarHBondContact OG1-O 3.43Å; T151-V183 HydrophobicContact CG2-CB 4.4Å; T151-V183 HydrophobicContact CG2-CG2 4Å | ||
| 152 | E | 92.2 | Very high | 91.4 | Very high | 74 Ų | 74 | 56.2 Ų | 56.2 | 35% | 0.346 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -69.5 | -20.3 | -173 | -75.6 | -68.1 | 148.7 | 0 | 0 | 113.3 | Y154 R155 I180 | E152-Y154 PolarHBondContact O-N 2.92Å; E152-Y154 VanDerWaalsContact O-N 3.12Å; E152-R155 VanDerWaalsContact CD-NH2 3.3Å; E152-R155 VanDerWaalsContact O-CB 3.32Å; E152-R155 WeakPolarHBondContact O-CB 3.41Å; E152-R155 PolarHBondContact O-N 2.88Å; E152-R155 VanDerWaalsContact O-N 3.09Å; E152-R155 IonicContact OE1-NH2 3.04Å; E152-R155 PolarHBondContact OE1-NH2 2.83Å; E152-R155 IonicContact OE2-CZ 3.17Å; E152-R155 IonicContact OE2-NE 2.73Å; E152-R155 PolarHBondContact OE2-NE 3.3Å; E152-R155 IonicContact OE2-NH2 2.78Å; E152-R155 PolarHBondContact OE2-NH2 2.89Å; E152-I180 PolarHBondContact OE1-N 2.82Å |
| 153 | S | 91.6 | Very high | 92.2 | Very high | 75 Ų | 75 | 54.8 Ų | 54.8 | 52% | 0.524 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -57.5 | -21 | 167.7 | 63.7 | 0 | 0 | 0 | 0 | 113.9 | D150 T151 | D150-S153 PolarHBondContact O-OG 3.13Å; D150-S153 VanDerWaalsContact O-OG 3.05Å; T151-S153 PolarHBondContact O-N 2.85Å |
| 154 | Y | 93.1 | Very high | 92.7 | Very high | 22 Ų | 22 | 56.3 Ų | 56.3 | 9% | 0.086 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -95.8 | 10.5 | 178.6 | -64.5 | -83.3 | 0 | 0 | 0 | 114.2 | F148 T151 E152 K156 Q157 A158 V183 Y194 | F148-Y154 HydrophobicContact CB-CE2 4.37Å; F148-Y154 HydrophobicContact CD1-CE2 4.1Å; F148-Y154 HydrophobicContact CD2-CE2 4.22Å; F148-Y154 HydrophobicContact CE1-CE2 4.48Å; F148-Y154 WeakPolarHBondContact CE1-OH 3.38Å; F148-Y154 AromaticContact CG-CE2 3.96Å; F148-Y154 HydrophobicContact CG-CE2 3.96Å; F148-Y154 WeakPolarHBondContact CZ-OH 3.26Å; T151-Y154 WeakPolarHBondContact O-CB 3.03Å; T151-Y154 PolarHBondContact O-N 3.42Å; E152-Y154 PolarHBondContact O-N 2.92Å; E152-Y154 VanDerWaalsContact O-N 3.12Å; Y154-K156 VanDerWaalsContact C-N 3.28Å; Y154-K156 PolarHBondContact O-N 3.4Å; Y154-Q157 WeakPolarHBondContact O-CB 3.4Å; Y154-Q157 PolarHBondContact O-N 3.22Å; Y154-Q157 VanDerWaalsContact O-N 3.08Å; Y154-Q157 PolarHBondContact O-OE1 2.85Å; Y154-A158 PolarHBondContact O-N 3.08Å; Y154-V183 HydrophobicContact CD1-CG1 4.18Å; Y154-V183 HydrophobicContact CD2-CB 4.12Å; Y154-V183 HydrophobicContact CD2-CG1 3.73Å; Y154-V183 HydrophobicContact CD2-CG2 3.87Å; Y154-V183 HydrophobicContact CE1-CG1 4.4Å; Y154-V183 HydrophobicContact CE2-CG1 3.95Å; Y154-V183 HydrophobicContact CG-CB 4.5Å; Y154-V183 HydrophobicContact CG-CG1 3.85Å; Y154-V183 HydrophobicContact CG-CG2 4.04Å; Y154-Y194 HydrophobicContact CD1-CD1 4.24Å; Y154-Y194 HydrophobicContact CD1-CE1 4.49Å; Y154-Y194 AromaticContact CE1-CD1 3.69Å; Y154-Y194 HydrophobicContact CE1-CD1 3.69Å; Y154-Y194 AromaticContact CE1-CE1 3.55Å; Y154-Y194 HydrophobicContact CE1-CE1 3.55Å |
| 155 | R | 94.1 | Very high | 92.9 | Very high | 66 Ų | 66 | 53.5 Ų | 53.5 | 25% | 0.249 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.1 | -36.8 | 179.4 | 179.4 | 170.9 | -71.3 | -96.8 | 0.4 | 113.4 | E152 Q157 A158 D159 V177 D178 I180 | E152-R155 VanDerWaalsContact CD-NH2 3.3Å; E152-R155 VanDerWaalsContact O-CB 3.32Å; E152-R155 WeakPolarHBondContact O-CB 3.41Å; E152-R155 PolarHBondContact O-N 2.88Å; E152-R155 VanDerWaalsContact O-N 3.09Å; E152-R155 IonicContact OE1-NH2 3.04Å; E152-R155 PolarHBondContact OE1-NH2 2.83Å; E152-R155 IonicContact OE2-CZ 3.17Å; E152-R155 IonicContact OE2-NE 2.73Å; E152-R155 PolarHBondContact OE2-NE 3.3Å; E152-R155 IonicContact OE2-NH2 2.78Å; E152-R155 PolarHBondContact OE2-NH2 2.89Å; R155-Q157 VanDerWaalsContact C-N 3.26Å; R155-Q157 PolarHBondContact O-N 2.85Å; R155-A158 PolarHBondContact O-N 2.04Å; R155-D159 WeakPolarHBondContact CG-OD2 3.39Å; R155-D159 WeakPolarHBondContact O-CB 3.5Å; R155-D159 PolarHBondContact O-N 2.85Å; R155-V177 PolarHBondContact NH1-O 3.33Å; R155-D178 PolarHBondContact NH1-O 3.09Å; R155-D178 PolarHBondContact NH2-O 2.88Å; R155-I180 HydrophobicContact CB-CD1 4.24Å; R155-I180 HydrophobicContact CB-CG1 4.27Å |
| 156 | K | 93.3 | Very high | 93.1 | Very high | 106 Ų | 106 | 52.9 Ų | 52.9 | 46% | 0.461 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.1 | -37.8 | 175.8 | -175.6 | -174.6 | 177.4 | -171.6 | 0 | 112.2 | Y154 K160 E232 | Y154-K156 VanDerWaalsContact C-N 3.28Å; Y154-K156 PolarHBondContact O-N 3.4Å; K156-K160 WeakPolarHBondContact O-CB 3.48Å; K156-K160 PolarHBondContact O-N 2.73Å; K156-E232 IonicContact NZ-OE1 2.66Å; K156-E232 PolarHBondContact NZ-OE1 2.76Å |
| 157 | Q | 94 | Very high | 93.1 | Very high | 16 Ų | 16 | 58.7 Ų | 58.7 | 8% | 0.075 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -71.8 | -42.6 | 178.4 | -71.7 | 78.4 | -3.3 | 0 | 0 | 111.1 | Y154 R155 K160 A161 L222 | Y154-Q157 WeakPolarHBondContact O-CB 3.4Å; Y154-Q157 PolarHBondContact O-N 3.22Å; Y154-Q157 VanDerWaalsContact O-N 3.08Å; Y154-Q157 PolarHBondContact O-OE1 2.85Å; R155-Q157 VanDerWaalsContact C-N 3.26Å; R155-Q157 PolarHBondContact O-N 2.85Å; Q157-K160 PolarHBondContact O-N 3.16Å; Q157-A161 WeakPolarHBondContact O-CB 3.06Å; Q157-A161 PolarHBondContact O-N 2.75Å; Q157-L222 HydrophobicContact CB-CD2 3.75Å; Q157-L222 HydrophobicContact CG-CD2 3.99Å |
| 158 | A | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.5 | -44.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y154 R155 A161 L162 V177 I180 V196 F198 | Y154-A158 PolarHBondContact O-N 3.08Å; R155-A158 PolarHBondContact O-N 2.04Å; A158-A161 PolarHBondContact O-N 2.95Å; A158-L162 WeakPolarHBondContact O-CB 3.29Å; A158-L162 PolarHBondContact O-N 2.95Å; A158-V177 HydrophobicContact CB-CG1 4.12Å; A158-V177 HydrophobicContact CB-CG2 4.04Å; A158-I180 HydrophobicContact CB-CD1 3.51Å; A158-V196 HydrophobicContact CB-CG1 4.13Å; A158-F198 HydrophobicContact CB-CB 4.26Å; A158-F198 HydrophobicContact CB-CD1 3.68Å; A158-F198 HydrophobicContact CB-CD2 4.08Å; A158-F198 HydrophobicContact CB-CE1 3.88Å; A158-F198 HydrophobicContact CB-CE2 4.27Å; A158-F198 HydrophobicContact CB-CG 3.77Å; A158-F198 HydrophobicContact CB-CZ 4.16Å; A158-F198 WeakPolarHBondContact O-CZ 3.3Å |
| 159 | D | 95.2 | Very high | 92.9 | Very high | 61 Ų | 61 | 64 Ų | 64 | 33% | 0.326 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60 | -48.1 | 174.9 | -75.1 | -39.7 | 0 | 0 | 0 | 110.4 | R155 A161 L162 E163 V177 | R155-D159 WeakPolarHBondContact CG-OD2 3.39Å; R155-D159 WeakPolarHBondContact O-CB 3.5Å; R155-D159 PolarHBondContact O-N 2.85Å; D159-A161 VanDerWaalsContact C-N 3.34Å; D159-A161 PolarHBondContact O-N 2.84Å; D159-L162 PolarHBondContact O-N 3.48Å; D159-E163 WeakPolarHBondContact O-CG 3.34Å; D159-E163 PolarHBondContact O-N 2.77Å; D159-V177 WeakPolarHBondContact OD1-CB 3.01Å; D159-V177 WeakPolarHBondContact OD1-CG2 3.46Å |
| 160 | K | 94.1 | Very high | 92.8 | Very high | 85 Ų | 85 | 65.4 Ų | 65.4 | 37% | 0.37 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.8 | -39.9 | 177 | 179.2 | 162.5 | -179.1 | 160.2 | 0 | 112.8 | K156 Q157 K164 E232 | K156-K160 WeakPolarHBondContact O-CB 3.48Å; K156-K160 PolarHBondContact O-N 2.73Å; Q157-K160 PolarHBondContact O-N 3.16Å; K160-K164 PolarHBondContact O-N 3.3Å; K160-E232 PolarHBondContact NZ-O 3.08Å |
| 161 | A | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.9 | -43.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q157 A158 D159 K164 Y165 F198 A220 L237 I239 | Q157-A161 WeakPolarHBondContact O-CB 3.06Å; Q157-A161 PolarHBondContact O-N 2.75Å; A158-A161 PolarHBondContact O-N 2.95Å; D159-A161 VanDerWaalsContact C-N 3.34Å; D159-A161 PolarHBondContact O-N 2.84Å; A161-K164 PolarHBondContact O-N 2.75Å; A161-Y165 PolarHBondContact O-N 2.85Å; A161-F198 HydrophobicContact CB-CE1 4.49Å; A161-F198 HydrophobicContact CB-CZ 4.45Å; A161-A220 HydrophobicContact CB-CB 3.55Å; A161-L237 HydrophobicContact CB-CD1 4.04Å; A161-L237 HydrophobicContact CB-CD2 3.93Å; A161-L237 HydrophobicContact CB-CG 4.45Å; A161-I239 HydrophobicContact CB-CD1 3.82Å |
| 162 | L | 95.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.7 | -39.5 | 177.4 | -178.7 | 60.5 | 0 | 0 | 0 | 112.5 | A158 D159 Y165 K166 F172 V177 F198 V200 | A158-L162 WeakPolarHBondContact O-CB 3.29Å; A158-L162 PolarHBondContact O-N 2.95Å; D159-L162 PolarHBondContact O-N 3.48Å; L162-Y165 PolarHBondContact O-N 2.94Å; L162-K166 WeakPolarHBondContact O-CG 3.05Å; L162-K166 PolarHBondContact O-N 2.81Å; L162-F172 HydrophobicContact CD1-CD1 4.23Å; L162-V177 HydrophobicContact CB-CG2 4.37Å; L162-V177 HydrophobicContact CD2-CG2 3.83Å; L162-F198 HydrophobicContact CB-CE2 4.11Å; L162-F198 HydrophobicContact CB-CZ 4.22Å; L162-V200 HydrophobicContact CD1-CG1 4.18Å; L162-V200 HydrophobicContact CD2-CG1 3.95Å |
| 163 | E | 94.5 | Very high | 92 | Very high | 96 Ų | 96 | 66.2 Ų | 66.2 | 45% | 0.449 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.6 | -42 | 175.1 | -63.9 | -47.4 | 118.6 | 0 | 0 | 111.8 | D159 Y165 K166 E167 | D159-E163 WeakPolarHBondContact O-CG 3.34Å; D159-E163 PolarHBondContact O-N 2.77Å; E163-Y165 VanDerWaalsContact C-N 3.32Å; E163-Y165 PolarHBondContact O-N 3.27Å; E163-K166 WeakPolarHBondContact O-CB 3.28Å; E163-K166 PolarHBondContact O-N 2.86Å; E163-K166 IonicContact OE1-NZ 2.69Å; E163-K166 PolarHBondContact OE1-NZ 3.45Å; E163-K166 IonicContact OE2-NZ 2.65Å; E163-E167 PolarHBondContact O-N 2.99Å; E163-E167 VanDerWaalsContact O-N 3.16Å |
| 164 | K | 93.7 | Very high | 91.8 | Very high | 71 Ų | 71 | 64.2 Ų | 64.2 | 31% | 0.309 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57.5 | -45.8 | 171.2 | -173.5 | -166.9 | 170.8 | -178.9 | 0 | 111.2 | K160 A161 K166 E167 E168 L237 | K160-K164 PolarHBondContact O-N 3.3Å; A161-K164 PolarHBondContact O-N 2.75Å; K164-K166 PolarHBondContact O-N 2.82Å; K164-E167 WeakPolarHBondContact O-CB 3.35Å; K164-E167 PolarHBondContact O-N 2.89Å; K164-E167 VanDerWaalsContact O-N 3.12Å; K164-E168 WeakPolarHBondContact CE-OE1 3.43Å; K164-L237 HydrophobicContact CB-CD2 4.43Å; K164-L237 HydrophobicContact CD-CB 4.46Å; K164-L237 HydrophobicContact CD-CD2 3.81Å; K164-L237 PolarHBondContact NZ-O 3.29Å |
| 165 | Y | 93.8 | Very high | 91.6 | Very high | 30 Ų | 30 | 63.6 Ų | 63.6 | 12% | 0.118 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62 | -33.1 | -179.5 | -170.5 | -94.5 | 0 | 0 | 0 | 112.5 | A161 L162 E163 E168 N169 F172 I239 C241 | A161-Y165 PolarHBondContact O-N 2.85Å; L162-Y165 PolarHBondContact O-N 2.94Å; E163-Y165 VanDerWaalsContact C-N 3.32Å; E163-Y165 PolarHBondContact O-N 3.27Å; Y165-E168 PolarHBondContact O-N 3.11Å; Y165-N169 HydrophobicContact CD1-CB 4.19Å; Y165-N169 HydrophobicContact CE1-CB 3.87Å; Y165-N169 WeakPolarHBondContact O-CB 3.28Å; Y165-N169 PolarHBondContact O-N 2.8Å; Y165-N169 PolarHBondContact O-ND2 3.25Å; Y165-F172 HydrophobicContact CD1-CB 4.25Å; Y165-F172 AromaticContact CD1-CD1 3.88Å; Y165-F172 HydrophobicContact CD1-CD1 3.88Å; Y165-F172 HydrophobicContact CD1-CD2 4.27Å; Y165-F172 HydrophobicContact CD1-CE1 4.2Å; Y165-F172 AromaticContact CD1-CG 3.89Å; Y165-F172 HydrophobicContact CD1-CG 3.89Å; Y165-F172 HydrophobicContact CD1-CZ 4.48Å; Y165-F172 HydrophobicContact CE1-CB 4.41Å; Y165-F172 AromaticContact CE1-CD1 3.81Å; Y165-F172 HydrophobicContact CE1-CD1 3.81Å; Y165-F172 AromaticContact CE1-CD2 3.6Å; Y165-F172 HydrophobicContact CE1-CD2 3.6Å; Y165-F172 AromaticContact CE1-CE1 3.79Å; Y165-F172 HydrophobicContact CE1-CE1 3.79Å; Y165-F172 AromaticContact CE1-CE2 3.58Å; Y165-F172 HydrophobicContact CE1-CE2 3.58Å; Y165-F172 AromaticContact CE1-CG 3.68Å; Y165-F172 HydrophobicContact CE1-CG 3.68Å; Y165-F172 AromaticContact CE1-CZ 3.65Å; Y165-F172 HydrophobicContact CE1-CZ 3.65Å; Y165-I239 HydrophobicContact CD2-CG1 4.21Å; Y165-I239 HydrophobicContact CD2-CG2 4.06Å; Y165-I239 HydrophobicContact CG-CG1 4.49Å; Y165-I239 HydrophobicContact CG-CG2 4.46Å; Y165-C241 HydrophobicContact CD1-CB 4.35Å; Y165-C241 HydrophobicContact CE1-CB 3.85Å; Y165-C241 HydrophobicContact CE2-CB 4.31Å |
| 166 | K | 93.9 | Very high | 91.5 | Very high | 28 Ų | 28 | 64.9 Ų | 64.9 | 12% | 0.122 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -68.8 | -33.7 | 173.7 | -71.7 | 166.9 | 177.3 | 172.4 | 0 | 113.8 | L162 E163 K164 E168 N169 F172 F175 | L162-K166 WeakPolarHBondContact O-CG 3.05Å; L162-K166 PolarHBondContact O-N 2.81Å; E163-K166 WeakPolarHBondContact O-CB 3.28Å; E163-K166 PolarHBondContact O-N 2.86Å; E163-K166 IonicContact OE1-NZ 2.69Å; E163-K166 PolarHBondContact OE1-NZ 3.45Å; E163-K166 IonicContact OE2-NZ 2.65Å; K164-K166 PolarHBondContact O-N 2.82Å; K166-E168 PolarHBondContact O-N 2.91Å; K166-N169 CarbonylContact O-C 3.49Å; K166-N169 PolarHBondContact O-N 3Å; K166-F172 WeakPolarHBondContact CE-O 3.41Å; K166-F172 HydrophobicContact CG-CB 4.02Å; K166-F175 WeakPolarHBondContact CE-O 3.39Å; K166-F175 PolarHBondContact NZ-O 3.29Å |
| 167 | E | 92.1 | Very high | 91.5 | Very high | 167 Ų | 167 | 59.9 Ų | 59.9 | 78% | 0.78 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -60.4 | -27.2 | 174.7 | -66.7 | 176.5 | 166.8 | 0 | 0 | 111.9 | E163 K164 | E163-E167 PolarHBondContact O-N 2.99Å; E163-E167 VanDerWaalsContact O-N 3.16Å; K164-E167 WeakPolarHBondContact O-CB 3.35Å; K164-E167 PolarHBondContact O-N 2.89Å; K164-E167 VanDerWaalsContact O-N 3.12Å |
| 168 | E | 90.9 | Very high | 91.3 | Very high | 137 Ų | 137 | 60.3 Ų | 60.3 | 64% | 0.64 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -97.5 | -19 | 176.9 | -63.6 | 176 | -160.5 | 0 | 0 | 113.3 | K164 Y165 K166 | K164-E168 WeakPolarHBondContact CE-OE1 3.43Å; Y165-E168 PolarHBondContact O-N 3.11Å; K166-E168 PolarHBondContact O-N 2.91Å |
| 169 | N | 89.1 | Confident | 91.1 | Very high | 54 Ų | 54 | 65.6 Ų | 65.6 | 29% | 0.289 | 32% | 0.323 | S | S | . | . | trans | -138.7 | 88.5 | -170.7 | -58.8 | -91.5 | 0 | 0 | 0 | 113 | Y165 K166 D171 F172 | Y165-N169 HydrophobicContact CD1-CB 4.19Å; Y165-N169 HydrophobicContact CE1-CB 3.87Å; Y165-N169 WeakPolarHBondContact O-CB 3.28Å; Y165-N169 PolarHBondContact O-N 2.8Å; Y165-N169 PolarHBondContact O-ND2 3.25Å; K166-N169 CarbonylContact O-C 3.49Å; K166-N169 PolarHBondContact O-N 3Å; N169-D171 PolarHBondContact O-N 3.24Å; N169-D171 VanDerWaalsContact O-N 3.1Å; N169-F172 HydrophobicContact CB-CD2 4.4Å; N169-F172 PolarHBondContact O-N 3.23Å | ||
| 170 | D | 85.2 | Confident | 91 | Very high | 147 Ų | 147 | 62.9 Ų | 62.9 | 79% | 0.786 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -49.7 | -37.1 | 179.8 | -81.9 | -39.3 | 0 | 0 | 0 | 114.4 | F172 A173 | D170-F172 PolarHBondContact O-N 3.13Å; D170-F172 VanDerWaalsContact O-N 3.12Å; D170-A173 WeakPolarHBondContact O-CB 3.46Å; D170-A173 PolarHBondContact O-N 2.82Å |
| 171 | D | 83.3 | Confident | 90.8 | Very high | 147 Ų | 147 | 60 Ų | 60 | 79% | 0.786 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -60.8 | -23.4 | -178.7 | -70.5 | -39.4 | 0 | 0 | 0 | 112.7 | N169 | N169-D171 PolarHBondContact O-N 3.24Å; N169-D171 VanDerWaalsContact O-N 3.1Å |
| 172 | F | 86.9 | Confident | 90.7 | Very high | 13 Ų | 13 | 60.6 Ų | 60.6 | 6% | 0.057 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -85.1 | -6 | 176.4 | -85.6 | -112.2 | 0 | 0 | 0 | 114.1 | L162 Y165 K166 N169 D170 S174 F175 V200 C241 V243 | L162-F172 HydrophobicContact CD1-CD1 4.23Å; Y165-F172 HydrophobicContact CD1-CB 4.25Å; Y165-F172 AromaticContact CD1-CD1 3.88Å; Y165-F172 HydrophobicContact CD1-CD1 3.88Å; Y165-F172 HydrophobicContact CD1-CD2 4.27Å; Y165-F172 HydrophobicContact CD1-CE1 4.2Å; Y165-F172 AromaticContact CD1-CG 3.89Å; Y165-F172 HydrophobicContact CD1-CG 3.89Å; Y165-F172 HydrophobicContact CD1-CZ 4.48Å; Y165-F172 HydrophobicContact CE1-CB 4.41Å; Y165-F172 AromaticContact CE1-CD1 3.81Å; Y165-F172 HydrophobicContact CE1-CD1 3.81Å; Y165-F172 AromaticContact CE1-CD2 3.6Å; Y165-F172 HydrophobicContact CE1-CD2 3.6Å; Y165-F172 AromaticContact CE1-CE1 3.79Å; Y165-F172 HydrophobicContact CE1-CE1 3.79Å; Y165-F172 AromaticContact CE1-CE2 3.58Å; Y165-F172 HydrophobicContact CE1-CE2 3.58Å; Y165-F172 AromaticContact CE1-CG 3.68Å; Y165-F172 HydrophobicContact CE1-CG 3.68Å; Y165-F172 AromaticContact CE1-CZ 3.65Å; Y165-F172 HydrophobicContact CE1-CZ 3.65Å; K166-F172 WeakPolarHBondContact CE-O 3.41Å; K166-F172 HydrophobicContact CG-CB 4.02Å; N169-F172 HydrophobicContact CB-CD2 4.4Å; N169-F172 PolarHBondContact O-N 3.23Å; D170-F172 PolarHBondContact O-N 3.13Å; D170-F172 VanDerWaalsContact O-N 3.12Å; F172-S174 PolarHBondContact O-N 2.84Å; F172-F175 HydrophobicContact CD1-CB 4.38Å; F172-F175 HydrophobicContact CD1-CD2 4.36Å; F172-F175 HydrophobicContact CD1-CG 4.29Å; F172-F175 HydrophobicContact CG-CD2 4.4Å; F172-F175 WeakPolarHBondContact O-CB 3.46Å; F172-F175 PolarHBondContact O-N 3.18Å; F172-V200 HydrophobicContact CE1-CG2 4.4Å; F172-C241 HydrophobicContact CE1-CB 3.49Å; F172-C241 VanDerWaalsContact CE1-CB 3.49Å; F172-C241 HydrophobicContact CZ-CB 3.54Å; F172-V243 HydrophobicContact CE1-CG2 4.12Å; F172-V243 HydrophobicContact CE2-CG2 3.45Å; F172-V243 VanDerWaalsContact CE2-CG2 3.45Å; F172-V243 HydrophobicContact CZ-CG2 3.17Å |
| 173 | A | 87.2 | Confident | 90.6 | Very high | 69 Ų | 69 | 60.6 Ų | 60.6 | 57% | 0.57 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -25.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | D170 | D170-A173 WeakPolarHBondContact O-CB 3.46Å; D170-A173 PolarHBondContact O-N 2.82Å |
| 174 | S | 87.1 | Confident | 90.6 | Very high | 34 Ų | 34 | 56.4 Ų | 56.4 | 24% | 0.238 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -8.4 | 176.8 | 65.2 | 0 | 0 | 0 | 0 | 115.1 | F172 N202 C203 S204 | F172-S174 PolarHBondContact O-N 2.84Å; S174-N202 PolarHBondContact OG-ND2 3.39Å; S174-N202 PolarHBondContact OG-OD1 3.39Å; S174-C203 WeakPolarHBondContact O-CA 3.43Å; S174-C203 WeakPolarHBondContact O-CB 3.47Å; S174-C203 PolarHBondContact O-N 3.26Å; S174-S204 WeakPolarHBondContact CB-OG 3.29Å; S174-S204 PolarHBondContact OG-OG 3.41Å |
| 175 | F | 89.6 | Confident | 90.5 | Very high | 8 Ų | 8 | 55.3 Ų | 55.3 | 4% | 0.035 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 154.6 | -178.2 | -73.7 | -108.3 | 0 | 0 | 0 | 112.5 | K166 F172 V200 R201 N202 V214 V243 | K166-F175 WeakPolarHBondContact CE-O 3.39Å; K166-F175 PolarHBondContact NZ-O 3.29Å; F172-F175 HydrophobicContact CD1-CB 4.38Å; F172-F175 HydrophobicContact CD1-CD2 4.36Å; F172-F175 HydrophobicContact CD1-CG 4.29Å; F172-F175 HydrophobicContact CG-CD2 4.4Å; F172-F175 WeakPolarHBondContact O-CB 3.46Å; F172-F175 PolarHBondContact O-N 3.18Å; F175-V200 HydrophobicContact CD1-CB 4.16Å; F175-V200 HydrophobicContact CD1-CG2 3.79Å; F175-V200 HydrophobicContact CE1-CG2 4.38Å; F175-R201 WeakPolarHBondContact CA-O 3.38Å; F175-N202 HydrophobicContact CD1-CB 4.07Å; F175-N202 HydrophobicContact CD2-CB 4.26Å; F175-N202 HydrophobicContact CE1-CB 3.8Å; F175-N202 HydrophobicContact CE2-CB 4.02Å; F175-N202 WeakPolarHBondContact CE2-ND2 3.47Å; F175-N202 HydrophobicContact CG-CB 4.31Å; F175-N202 HydrophobicContact CZ-CB 3.79Å; F175-V214 HydrophobicContact CE1-CG1 4.22Å; F175-V214 HydrophobicContact CZ-CB 4.23Å; F175-V214 HydrophobicContact CZ-CG1 3.86Å; F175-V243 HydrophobicContact CZ-CG1 4.14Å |
| 176 | R | 91.8 | Very high | 90.4 | Very high | 94 Ų | 94 | 56.3 Ų | 56.3 | 36% | 0.355 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 157.8 | 173.4 | -62.5 | -178.9 | -179.8 | -176.3 | 1.1 | 110.4 | D178 V200 R201 P417 C418 D419 | R176-D178 PolarHBondContact O-N 3.03Å; R176-V200 CarbonylContact O-C 3.57Å; R176-V200 VanDerWaalsContact O-CA 3.28Å; R176-V200 WeakPolarHBondContact O-CA 3.4Å; R176-V200 WeakPolarHBondContact O-CB 3Å; R176-R201 PolarHBondContact N-O 3.1Å; R176-R201 PolarHBondContact O-N 2.72Å; R176-P417 WeakPolarHBondContact CD-O 3.45Å; R176-P417 PolarHBondContact NH1-O 3.33Å; R176-C418 VanDerWaalsContact NH1-C 3.29Å; R176-C418 PolarHBondContact NH1-O 3.46Å; R176-D419 PolarHBondContact NH1-O 2.78Å |
| 177 | V | 92.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 122.9 | 175.5 | -178.5 | 0 | 0 | 0 | 0 | 110 | R155 A158 D159 L162 I180 F198 P417 | R155-V177 PolarHBondContact NH1-O 3.33Å; A158-V177 HydrophobicContact CB-CG1 4.12Å; A158-V177 HydrophobicContact CB-CG2 4.04Å; D159-V177 WeakPolarHBondContact OD1-CB 3.01Å; D159-V177 WeakPolarHBondContact OD1-CG2 3.46Å; L162-V177 HydrophobicContact CB-CG2 4.37Å; L162-V177 HydrophobicContact CD2-CG2 3.83Å; V177-I180 HydrophobicContact CG1-CD1 3.56Å; V177-F198 HydrophobicContact CB-CD2 4.4Å; V177-F198 HydrophobicContact CG1-CB 4.31Å; V177-F198 HydrophobicContact CG1-CD2 3.99Å; V177-F198 HydrophobicContact CG1-CG 4.46Å; V177-F198 HydrophobicContact CG2-CD2 3.84Å; V177-F198 HydrophobicContact CG2-CE2 3.79Å; V177-P417 VanDerWaalsContact O-CB 3.26Å; V177-P417 WeakPolarHBondContact O-CB 3.03Å |
| 178 | D | 89.9 | Confident | 89.5 | Confident | 24 Ų | 24 | 52 Ų | 52 | 13% | 0.128 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | -64.6 | -179.6 | -159 | -1 | 0 | 0 | 0 | 109.7 | R155 R176 S199 R201 F215 P417 | R155-D178 PolarHBondContact NH1-O 3.09Å; R155-D178 PolarHBondContact NH2-O 2.88Å; R176-D178 PolarHBondContact O-N 3.03Å; D178-S199 WeakPolarHBondContact CB-O 3.46Å; D178-S199 PolarHBondContact N-O 2.9Å; D178-R201 HydrophobicContact CB-CB 4.08Å; D178-R201 VanDerWaalsContact CG-NE 3.33Å; D178-R201 IonicContact OD1-CZ 3.85Å; D178-R201 IonicContact OD1-NE 3.83Å; D178-R201 PolarHBondContact OD1-NE 3.25Å; D178-R201 IonicContact OD1-NH2 3.08Å; D178-R201 PolarHBondContact OD1-NH2 3.29Å; D178-R201 IonicContact OD2-CZ 3.14Å; D178-R201 IonicContact OD2-NE 3.14Å; D178-R201 PolarHBondContact OD2-NE 3.24Å; D178-R201 IonicContact OD2-NH2 2.72Å; D178-R201 PolarHBondContact OD2-NH2 3.24Å; D178-F215 WeakPolarHBondContact OD2-CE1 3.36Å; D178-P417 WeakPolarHBondContact OD1-CG 3.43Å |
| 179 | R | 90.3 | Very high | 88.6 | Confident | 112 Ų | 112 | 49.5 Ų | 49.5 | 42% | 0.423 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 147.6 | 178 | -178.2 | 176 | 76 | 162.2 | 9 | 111.3 | E181 F198 S199 | R179-E181 IonicContact CZ-OE1 3.39Å; R179-E181 IonicContact CZ-OE2 2.78Å; R179-E181 IonicContact NE-OE1 3.16Å; R179-E181 PolarHBondContact NE-OE1 2.8Å; R179-E181 IonicContact NE-OE2 3.17Å; R179-E181 PolarHBondContact NE-OE2 2.92Å; R179-E181 IonicContact NH2-OE1 3.39Å; R179-E181 PolarHBondContact NH2-OE1 3.45Å; R179-E181 IonicContact NH2-OE2 3.94Å; R179-E181 PolarHBondContact NH2-OE2 3.14Å; R179-F198 WeakPolarHBondContact O-CA 3.02Å; R179-F198 WeakPolarHBondContact O-CB 3.37Å; R179-S199 PolarHBondContact N-OG 2.97Å; R179-S199 PolarHBondContact O-N 2.87Å; R179-S199 PolarHBondContact O-OG 3.39Å |
| 180 | I | 93.1 | Very high | 88 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.015 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 118.5 | 170.6 | -41.3 | -55.6 | 0 | 0 | 0 | 109.4 | T151 E152 R155 A158 V177 V183 V196 F198 | T151-I180 PolarHBondContact OG1-O 3.43Å; E152-I180 PolarHBondContact OE1-N 2.82Å; R155-I180 HydrophobicContact CB-CD1 4.24Å; R155-I180 HydrophobicContact CB-CG1 4.27Å; A158-I180 HydrophobicContact CB-CD1 3.51Å; V177-I180 HydrophobicContact CG1-CD1 3.56Å; I180-V183 HydrophobicContact CG2-CG2 3.61Å; I180-V196 HydrophobicContact CG2-CG1 3.88Å; I180-F198 HydrophobicContact CD1-CB 3.98Å |
| 181 | E | 91.6 | Very high | 88.1 | Confident | 25 Ų | 25 | 48.1 Ų | 48.1 | 12% | 0.117 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -42.6 | -163.9 | -61.3 | -71.3 | 148.2 | 0 | 0 | 113 | Y46 R179 D197 S199 F217 | Y46-E181 HydrophobicContact CE2-CB 4.38Å; R179-E181 IonicContact CZ-OE1 3.39Å; R179-E181 IonicContact CZ-OE2 2.78Å; R179-E181 IonicContact NE-OE1 3.16Å; R179-E181 PolarHBondContact NE-OE1 2.8Å; R179-E181 IonicContact NE-OE2 3.17Å; R179-E181 PolarHBondContact NE-OE2 2.92Å; R179-E181 IonicContact NH2-OE1 3.39Å; R179-E181 PolarHBondContact NH2-OE1 3.45Å; R179-E181 IonicContact NH2-OE2 3.94Å; R179-E181 PolarHBondContact NH2-OE2 3.14Å; E181-D197 HydrophobicContact CB-CB 4.43Å; E181-D197 PolarHBondContact N-O 3.49Å; E181-S199 PolarHBondContact OE1-OG 2.79Å; E181-F217 HydrophobicContact CB-CE2 4.15Å; E181-F217 HydrophobicContact CB-CZ 4.47Å; E181-F217 HydrophobicContact CG-CE2 3.84Å |
| 182 | R | 92.8 | Very high | 88.5 | Confident | 13 Ų | 13 | 42.6 Ų | 42.6 | 5% | 0.049 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 148 | 170.1 | -66.4 | -178 | -177.5 | 162 | 1.9 | 109.7 | Y46 E75 S76 D77 E99 D197 | Y46-R182 HydrophobicContact CE2-CG 3.66Å; Y46-R182 VanDerWaalsContact CG-NH2 3.3Å; Y46-R182 VanDerWaalsContact OH-CD 3.29Å; Y46-R182 WeakPolarHBondContact OH-CD 3.26Å; Y46-R182 VanDerWaalsContact OH-CG 3.26Å; Y46-R182 WeakPolarHBondContact OH-CG 3.37Å; E75-R182 VanDerWaalsContact CB-NH2 3.35Å; E75-R182 IonicContact OE2-CZ 2.83Å; E75-R182 IonicContact OE2-NE 3.48Å; E75-R182 IonicContact OE2-NH2 3.4Å; E75-R182 PolarHBondContact OE2-NH2 2.89Å; S76-R182 PolarHBondContact O-NH1 3.36Å; S76-R182 PolarHBondContact O-NH2 3.05Å; D77-R182 IonicContact OD1-NH1 3.48Å; D77-R182 PolarHBondContact OD1-NH1 2.88Å; E99-R182 WeakPolarHBondContact OE2-CD 3.17Å; E99-R182 WeakPolarHBondContact OE2-CG 3.14Å; E99-R182 IonicContact OE2-NE 2.86Å; R182-D197 HydrophobicContact CB-CB 4.25Å; R182-D197 PolarHBondContact N-O 3.08Å; R182-D197 PolarHBondContact O-N 3.47Å |
| 183 | V | 94 | Very high | 88.7 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 128.7 | 168.6 | -175.8 | 0 | 0 | 0 | 0 | 110.1 | F148 T151 Y154 I180 F195 V196 | F148-V183 HydrophobicContact CB-CB 4.35Å; F148-V183 HydrophobicContact CD2-CB 4.23Å; F148-V183 HydrophobicContact CD2-CG1 3.86Å; F148-V183 HydrophobicContact CE2-CG1 4.45Å; F148-V183 PolarHBondContact N-O 2.87Å; F148-V183 VanDerWaalsContact N-O 3.1Å; T151-V183 HydrophobicContact CG2-CB 4.4Å; T151-V183 HydrophobicContact CG2-CG2 4Å; Y154-V183 HydrophobicContact CD1-CG1 4.18Å; Y154-V183 HydrophobicContact CD2-CB 4.12Å; Y154-V183 HydrophobicContact CD2-CG1 3.73Å; Y154-V183 HydrophobicContact CD2-CG2 3.87Å; Y154-V183 HydrophobicContact CE1-CG1 4.4Å; Y154-V183 HydrophobicContact CE2-CG1 3.95Å; Y154-V183 HydrophobicContact CG-CB 4.5Å; Y154-V183 HydrophobicContact CG-CG1 3.85Å; Y154-V183 HydrophobicContact CG-CG2 4.04Å; I180-V183 HydrophobicContact CG2-CG2 3.61Å; V183-F195 WeakPolarHBondContact CA-O 3.49Å; V183-V196 HydrophobicContact CG1-CG2 4.42Å; V183-V196 HydrophobicContact CG2-CG1 4.37Å |
| 184 | A | 93.4 | Very high | 89 | Confident | 7 Ų | 7 | 40.8 Ų | 40.8 | 6% | 0.058 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 152 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | D146 F147 F195 | D146-A184 CarbonylContact O-C 3.53Å; D146-A184 WeakPolarHBondContact O-CA 3.48Å; F147-A184 HydrophobicContact CD1-CB 3.74Å; F147-A184 HydrophobicContact CE1-CB 3.82Å; A184-F195 HydrophobicContact CB-CB 4.27Å; A184-F195 HydrophobicContact CB-CD2 4.41Å; A184-F195 PolarHBondContact N-O 2.95Å; A184-F195 PolarHBondContact O-N 3.1Å |
| 185 | R | 92.5 | Very high | 89.3 | Confident | 49 Ų | 49 | 40 Ų | 40 | 19% | 0.185 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 134.3 | 171.5 | 172.9 | 176.9 | 64 | -159 | -2.4 | 109.5 | L145 D146 F148 K187 T192 S193 Y194 | L145-R185 CarbonylContact C-O 3.58Å; L145-R185 WeakPolarHBondContact CA-O 3.28Å; D146-R185 HydrophobicContact CB-CB 4.35Å; D146-R185 PolarHBondContact N-O 2.84Å; D146-R185 PolarHBondContact O-N 2.69Å; D146-R185 IonicContact OD2-CZ 2.85Å; D146-R185 IonicContact OD2-NE 3.76Å; D146-R185 PolarHBondContact OD2-NE 3.43Å; D146-R185 IonicContact OD2-NH2 3.84Å; D146-R185 PolarHBondContact OD2-NH2 2.84Å; F148-R185 HydrophobicContact CE2-CB 3.69Å; F148-R185 HydrophobicContact CZ-CB 4.13Å; R185-K187 HydrophobicContact CG-CG 4.38Å; R185-K187 VanDerWaalsContact NE-CE 3.31Å; R185-T192 HydrophobicContact CG-CG2 3.56Å; R185-S193 CarbonylContact C-O 3.59Å; R185-S193 WeakPolarHBondContact CA-O 3.18Å; R185-Y194 HydrophobicContact CB-CD1 4Å; R185-Y194 HydrophobicContact CB-CE1 3.93Å; R185-Y194 VanDerWaalsContact CD-CZ 3.44Å; R185-Y194 VanDerWaalsContact CD-OH 3.3Å; R185-Y194 WeakPolarHBondContact CD-OH 3.41Å; R185-Y194 HydrophobicContact CG-CD1 4.24Å; R185-Y194 HydrophobicContact CG-CE1 3.89Å; R185-Y194 PolarHBondContact NH1-OH 2.8Å |
| 186 | E | 90.8 | Very high | 89.5 | Confident | 50 Ų | 50 | 39.6 Ų | 39.6 | 23% | 0.234 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 135.3 | 170.8 | -174.1 | -179.3 | 158.3 | 0 | 0 | 109.9 | V143 L144 L145 T192 S193 F195 | V143-E186 HydrophobicContact CG1-CG 3.28Å; V143-E186 WeakPolarHBondContact CG1-OE1 3.48Å; L144-E186 CarbonylContact O-C 3.57Å; L144-E186 WeakPolarHBondContact O-CA 3.14Å; L145-E186 HydrophobicContact CD2-CB 3.83Å; L145-E186 HydrophobicContact CD2-CG 3.8Å; E186-T192 CarbonylContact O-C 3.59Å; E186-T192 WeakPolarHBondContact O-CA 3.4Å; E186-T192 WeakPolarHBondContact O-CG2 3.43Å; E186-S193 PolarHBondContact N-O 3.42Å; E186-S193 PolarHBondContact O-N 2.88Å; E186-F195 HydrophobicContact CB-CE2 3.68Å; E186-F195 HydrophobicContact CB-CZ 4.44Å |
| 187 | K | 88.7 | Confident | 89.6 | Confident | 70 Ų | 70 | 35.6 Ų | 35.6 | 30% | 0.304 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 119.6 | 172.5 | -60 | 171.7 | -175.4 | 131.9 | 0 | 109.1 | L144 D146 R185 T192 | L144-K187 HydrophobicContact CB-CB 4.39Å; L144-K187 PolarHBondContact N-O 2.88Å; L144-K187 VanDerWaalsContact N-O 3.11Å; L144-K187 PolarHBondContact O-N 2.8Å; D146-K187 IonicContact OD1-NZ 2.67Å; D146-K187 WeakPolarHBondContact OD2-CE 3.32Å; D146-K187 IonicContact OD2-NZ 3.87Å; D146-K187 PolarHBondContact OD2-NZ 3.38Å; R185-K187 HydrophobicContact CG-CG 4.38Å; R185-K187 VanDerWaalsContact NE-CE 3.31Å; K187-T192 HydrophobicContact CG-CG2 4.27Å |
| 188 | G | 79.5 | Confident | 89.7 | Confident | 34 Ų | 34 | 35.6 Ų | 35.6 | 35% | 0.351 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 176.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | E190 G191 | G188-E190 PolarHBondContact O-N 3.45Å; G188-E190 VanDerWaalsContact O-N 3.16Å; G188-G191 PolarHBondContact N-O 3.45Å; G188-G191 VanDerWaalsContact N-O 3.15Å; G188-G191 PolarHBondContact O-N 3.35Å |
| 189 | G | 70.9 | Confident | 89.7 | Confident | 86 Ų | 86 | 34.9 Ų | 34.9 | 89% | 0.887 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -11.4 | -180 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 190 | E | 76.7 | Confident | 89.7 | Confident | 168 Ų | 168 | 29.5 Ų | 29.5 | 79% | 0.785 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | -16.8 | -176.4 | -59.9 | -175.2 | 161.8 | 0 | 0 | 113.3 | G188 | G188-E190 PolarHBondContact O-N 3.45Å; G188-E190 VanDerWaalsContact O-N 3.16Å |
| 191 | G | 87.4 | Confident | 89.4 | Confident | 4 Ų | 4 | 32.8 Ų | 32.8 | 4% | 0.041 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.8 | -164.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | G188 Y224 | G188-G191 PolarHBondContact N-O 3.45Å; G188-G191 VanDerWaalsContact N-O 3.15Å; G188-G191 PolarHBondContact O-N 3.35Å; G191-Y224 WeakPolarHBondContact CA-O 3.31Å |
| 192 | T | 91 | Very high | 89.1 | Confident | 31 Ų | 31 | 32.9 Ų | 32.9 | 19% | 0.19 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 123.6 | 177.5 | -58.2 | 0 | 0 | 0 | 0 | 110.9 | R185 E186 K187 Y194 Y224 | R185-T192 HydrophobicContact CG-CG2 3.56Å; E186-T192 CarbonylContact O-C 3.59Å; E186-T192 WeakPolarHBondContact O-CA 3.4Å; E186-T192 WeakPolarHBondContact O-CG2 3.43Å; K187-T192 HydrophobicContact CG-CG2 4.27Å; T192-Y194 HydrophobicContact CG2-CD2 4.03Å; T192-Y194 HydrophobicContact CG2-CE2 3.45Å; T192-Y194 VanDerWaalsContact CG2-CE2 3.45Å; T192-Y224 PolarHBondContact N-O 3.38Å; T192-Y224 PolarHBondContact O-N 3.19Å |
| 193 | S | 91.9 | Very high | 88.7 | Confident | 29 Ų | 29 | 33.5 Ų | 33.5 | 20% | 0.203 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 136.5 | 172.9 | -50.9 | 0 | 0 | 0 | 0 | 110.4 | R185 E186 L222 | R185-S193 CarbonylContact C-O 3.59Å; R185-S193 WeakPolarHBondContact CA-O 3.18Å; E186-S193 PolarHBondContact N-O 3.42Å; E186-S193 PolarHBondContact O-N 2.88Å; S193-L222 CarbonylContact C-O 3.56Å; S193-L222 WeakPolarHBondContact CA-O 3.47Å |
| 194 | Y | 93.2 | Very high | 87.9 | Confident | 15 Ų | 15 | 35.7 Ų | 35.7 | 6% | 0.059 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 127 | 168.9 | -70.3 | -95 | 0 | 0 | 0 | 109.9 | Y154 R185 T192 L222 Y224 L231 | Y154-Y194 HydrophobicContact CD1-CD1 4.24Å; Y154-Y194 HydrophobicContact CD1-CE1 4.49Å; Y154-Y194 AromaticContact CE1-CD1 3.69Å; Y154-Y194 HydrophobicContact CE1-CD1 3.69Å; Y154-Y194 AromaticContact CE1-CE1 3.55Å; Y154-Y194 HydrophobicContact CE1-CE1 3.55Å; R185-Y194 HydrophobicContact CB-CD1 4Å; R185-Y194 HydrophobicContact CB-CE1 3.93Å; R185-Y194 VanDerWaalsContact CD-CZ 3.44Å; R185-Y194 VanDerWaalsContact CD-OH 3.3Å; R185-Y194 WeakPolarHBondContact CD-OH 3.41Å; R185-Y194 HydrophobicContact CG-CD1 4.24Å; R185-Y194 HydrophobicContact CG-CE1 3.89Å; R185-Y194 PolarHBondContact NH1-OH 2.8Å; T192-Y194 HydrophobicContact CG2-CD2 4.03Å; T192-Y194 HydrophobicContact CG2-CE2 3.45Å; T192-Y194 VanDerWaalsContact CG2-CE2 3.45Å; Y194-L222 PolarHBondContact N-O 2.04Å; Y194-L222 PolarHBondContact O-N 3.45Å; Y194-Y224 AromaticContact CD2-CD2 3.68Å; Y194-Y224 HydrophobicContact CD2-CD2 3.68Å; Y194-Y224 AromaticContact CD2-CE2 3.71Å; Y194-Y224 HydrophobicContact CD2-CE2 3.71Å; Y194-Y224 HydrophobicContact CE2-CD2 4.02Å; Y194-Y224 HydrophobicContact CE2-CE2 4.23Å; Y194-L231 HydrophobicContact CD2-CD2 4.4Å; Y194-L231 HydrophobicContact CE1-CD1 4.33Å; Y194-L231 HydrophobicContact CE2-CD1 4.13Å; Y194-L231 HydrophobicContact CE2-CD2 3.52Å; Y194-L231 HydrophobicContact CE2-CG 4.5Å |
| 195 | F | 93.8 | Very high | 86.3 | Confident | 17 Ų | 17 | 46.7 Ų | 46.7 | 8% | 0.075 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 112.3 | 179.1 | -56.6 | -92.7 | 0 | 0 | 0 | 107.1 | R95 R96 P97 V183 A184 E186 D221 | R95-F195 WeakPolarHBondContact O-CE1 3.31Å; R96-F195 HydrophobicContact CB-CD1 4.19Å; R96-F195 HydrophobicContact CB-CE1 4.32Å; R96-F195 HydrophobicContact CG-CD1 3.74Å; R96-F195 HydrophobicContact CG-CE1 3.92Å; P97-F195 VanDerWaalsContact CD-CE2 3.41Å; P97-F195 HydrophobicContact CG-CD2 3.97Å; P97-F195 HydrophobicContact CG-CE2 3.7Å; P97-F195 HydrophobicContact CG-CZ 4.05Å; V183-F195 WeakPolarHBondContact CA-O 3.49Å; A184-F195 HydrophobicContact CB-CB 4.27Å; A184-F195 HydrophobicContact CB-CD2 4.41Å; A184-F195 PolarHBondContact N-O 2.95Å; A184-F195 PolarHBondContact O-N 3.1Å; E186-F195 HydrophobicContact CB-CE2 3.68Å; E186-F195 HydrophobicContact CB-CZ 4.44Å; F195-D221 WeakPolarHBondContact CD1-OD1 3.48Å; F195-D221 VanDerWaalsContact CE1-OD1 3.29Å; F195-D221 WeakPolarHBondContact CE1-OD1 3.46Å |
| 196 | V | 94.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 112.9 | -174.5 | -173.3 | 0 | 0 | 0 | 0 | 109.1 | A158 I180 V183 F198 A220 L222 | A158-V196 HydrophobicContact CB-CG1 4.13Å; I180-V196 HydrophobicContact CG2-CG1 3.88Å; V183-V196 HydrophobicContact CG1-CG2 4.42Å; V183-V196 HydrophobicContact CG2-CG1 4.37Å; V196-F198 HydrophobicContact CG1-CD1 4.1Å; V196-A220 PolarHBondContact N-O 2.92Å; V196-A220 PolarHBondContact O-N 3.25Å; V196-L222 HydrophobicContact CB-CD1 4.4Å; V196-L222 HydrophobicContact CG2-CD1 3.94Å |
| 197 | D | 93.7 | Very high | 82.2 | Confident | 10 Ų | 10 | 59.7 Ų | 59.7 | 5% | 0.053 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 131.6 | 170.6 | -82.3 | 21.6 | 0 | 0 | 0 | 108.7 | Y46 R96 E181 R182 F217 C218 K219 | Y46-D197 WeakPolarHBondContact OH-CB 3.26Å; Y46-D197 PolarHBondContact OH-OD2 2.8Å; R96-D197 IonicContact CZ-OD1 3.22Å; R96-D197 IonicContact NH1-OD1 2.83Å; R96-D197 PolarHBondContact NH1-OD1 3.11Å; E181-D197 HydrophobicContact CB-CB 4.43Å; E181-D197 PolarHBondContact N-O 3.49Å; R182-D197 HydrophobicContact CB-CB 4.25Å; R182-D197 PolarHBondContact N-O 3.08Å; R182-D197 PolarHBondContact O-N 3.47Å; D197-F217 HydrophobicContact CB-CE1 4.16Å; D197-F217 HydrophobicContact CB-CZ 3.86Å; D197-C218 WeakPolarHBondContact CA-O 3.4Å; D197-K219 WeakPolarHBondContact OD1-CG 3.37Å |
| 198 | F | 93.2 | Very high | 79.9 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 145.1 | -178.2 | 60.2 | -83.3 | 0 | 0 | 0 | 112.9 | A158 A161 L162 V177 R179 I180 V196 V200 C218 A220 I239 | A158-F198 HydrophobicContact CB-CB 4.26Å; A158-F198 HydrophobicContact CB-CD1 3.68Å; A158-F198 HydrophobicContact CB-CD2 4.08Å; A158-F198 HydrophobicContact CB-CE1 3.88Å; A158-F198 HydrophobicContact CB-CE2 4.27Å; A158-F198 HydrophobicContact CB-CG 3.77Å; A158-F198 HydrophobicContact CB-CZ 4.16Å; A158-F198 WeakPolarHBondContact O-CZ 3.3Å; A161-F198 HydrophobicContact CB-CE1 4.49Å; A161-F198 HydrophobicContact CB-CZ 4.45Å; L162-F198 HydrophobicContact CB-CE2 4.11Å; L162-F198 HydrophobicContact CB-CZ 4.22Å; V177-F198 HydrophobicContact CB-CD2 4.4Å; V177-F198 HydrophobicContact CG1-CB 4.31Å; V177-F198 HydrophobicContact CG1-CD2 3.99Å; V177-F198 HydrophobicContact CG1-CG 4.46Å; V177-F198 HydrophobicContact CG2-CD2 3.84Å; V177-F198 HydrophobicContact CG2-CE2 3.79Å; R179-F198 WeakPolarHBondContact O-CA 3.02Å; R179-F198 WeakPolarHBondContact O-CB 3.37Å; I180-F198 HydrophobicContact CD1-CB 3.98Å; V196-F198 HydrophobicContact CG1-CD1 4.1Å; F198-V200 HydrophobicContact CD2-CG1 3.61Å; F198-V200 HydrophobicContact CE2-CG1 3.52Å; F198-C218 HydrophobicContact CD1-CB 4.11Å; F198-C218 HydrophobicContact CD2-CB 3.94Å; F198-C218 HydrophobicContact CE1-CB 3.72Å; F198-C218 HydrophobicContact CE2-CB 3.52Å; F198-C218 HydrophobicContact CG-CB 4.24Å; F198-C218 HydrophobicContact CZ-CB 3.42Å; F198-C218 VanDerWaalsContact CZ-CB 3.42Å; F198-C218 PolarHBondContact N-O 2.72Å; F198-C218 PolarHBondContact O-N 2.84Å; F198-A220 HydrophobicContact CE1-CB 3.98Å; F198-I239 HydrophobicContact CE1-CD1 4.24Å; F198-I239 HydrophobicContact CZ-CD1 3.75Å |
| 199 | S | 90.5 | Very high | 78.2 | Confident | 9 Ų | 9 | 69.3 Ų | 69.3 | 6% | 0.063 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 145.5 | 171 | 48.9 | 0 | 0 | 0 | 0 | 110.2 | D178 R179 E181 | D178-S199 WeakPolarHBondContact CB-O 3.46Å; D178-S199 PolarHBondContact N-O 2.9Å; R179-S199 PolarHBondContact N-OG 2.97Å; R179-S199 PolarHBondContact O-N 2.87Å; R179-S199 PolarHBondContact O-OG 3.39Å; E181-S199 PolarHBondContact OE1-OG 2.79Å |
| 200 | V | 90.3 | Very high | 76.9 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 143.6 | 175.6 | -64.8 | 0 | 0 | 0 | 0 | 111.2 | L162 F172 F175 R176 F198 F215 G216 | L162-V200 HydrophobicContact CD1-CG1 4.18Å; L162-V200 HydrophobicContact CD2-CG1 3.95Å; F172-V200 HydrophobicContact CE1-CG2 4.4Å; F175-V200 HydrophobicContact CD1-CB 4.16Å; F175-V200 HydrophobicContact CD1-CG2 3.79Å; F175-V200 HydrophobicContact CE1-CG2 4.38Å; R176-V200 CarbonylContact O-C 3.57Å; R176-V200 VanDerWaalsContact O-CA 3.28Å; R176-V200 WeakPolarHBondContact O-CA 3.4Å; R176-V200 WeakPolarHBondContact O-CB 3Å; F198-V200 HydrophobicContact CD2-CG1 3.61Å; F198-V200 HydrophobicContact CE2-CG1 3.52Å; V200-F215 WeakPolarHBondContact O-CA 3.41Å; V200-G216 PolarHBondContact N-O 3.36Å; V200-G216 PolarHBondContact O-N 2.75Å |
| 201 | R | 87.4 | Confident | 75.3 | Confident | 72 Ų | 72 | 74.8 Ų | 74.8 | 27% | 0.272 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 132.1 | -177.8 | -171.4 | -178 | -63.3 | -173.9 | 3.2 | 110.5 | F175 R176 D178 C203 N213 F215 | F175-R201 WeakPolarHBondContact CA-O 3.38Å; R176-R201 PolarHBondContact N-O 3.1Å; R176-R201 PolarHBondContact O-N 2.72Å; D178-R201 HydrophobicContact CB-CB 4.08Å; D178-R201 VanDerWaalsContact CG-NE 3.33Å; D178-R201 IonicContact OD1-CZ 3.85Å; D178-R201 IonicContact OD1-NE 3.83Å; D178-R201 PolarHBondContact OD1-NE 3.25Å; D178-R201 IonicContact OD1-NH2 3.08Å; D178-R201 PolarHBondContact OD1-NH2 3.29Å; D178-R201 IonicContact OD2-CZ 3.14Å; D178-R201 IonicContact OD2-NE 3.14Å; D178-R201 PolarHBondContact OD2-NE 3.24Å; D178-R201 IonicContact OD2-NH2 2.72Å; D178-R201 PolarHBondContact OD2-NH2 3.24Å; R201-C203 PolarHBondContact O-N 3.08Å; R201-C203 PolarHBondContact O-SG 2.75Å; R201-N213 HydrophobicContact CG-CB 4.3Å; R201-F215 HydrophobicContact CG-CD1 4.49Å; R201-F215 HydrophobicContact CG-CE1 4.17Å |
| 202 | N | 86 | Confident | 73.6 | Confident | 27 Ų | 27 | 78.3 Ų | 78.3 | 14% | 0.144 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 123.5 | 172.2 | -168.4 | -48.9 | 0 | 0 | 0 | 110.2 | S174 F175 S204 N213 V214 | S174-N202 PolarHBondContact OG-ND2 3.39Å; S174-N202 PolarHBondContact OG-OD1 3.39Å; F175-N202 HydrophobicContact CD1-CB 4.07Å; F175-N202 HydrophobicContact CD2-CB 4.26Å; F175-N202 HydrophobicContact CE1-CB 3.8Å; F175-N202 HydrophobicContact CE2-CB 4.02Å; F175-N202 WeakPolarHBondContact CE2-ND2 3.47Å; F175-N202 HydrophobicContact CG-CB 4.31Å; F175-N202 HydrophobicContact CZ-CB 3.79Å; N202-S204 WeakPolarHBondContact OD1-CB 3.43Å; N202-S204 PolarHBondContact OD1-N 3.46Å; N202-S204 PolarHBondContact OD1-OG 3.38Å; N202-N213 PolarHBondContact O-ND2 3.14Å; N202-V214 HydrophobicContact CB-CB 4.03Å; N202-V214 WeakPolarHBondContact CB-O 3.17Å; N202-V214 PolarHBondContact N-O 3.47Å |
| 203 | C | 83.6 | Confident | 72 | Confident | 26 Ų | 26 | 79.8 Ų | 79.8 | 18% | 0.176 | 37% | 0.372 | C | S | . | . | trans | -109.2 | 21.8 | -177.7 | -58.6 | 0 | 0 | 0 | 0 | 113 | S174 R201 C418 | S174-C203 WeakPolarHBondContact O-CA 3.43Å; S174-C203 WeakPolarHBondContact O-CB 3.47Å; S174-C203 PolarHBondContact O-N 3.26Å; R201-C203 PolarHBondContact O-N 3.08Å; R201-C203 PolarHBondContact O-SG 2.75Å; C203-C418 WeakPolarHBondContact CA-SG 3.44Å; C203-C418 HydrophobicContact CB-CB 3.57Å; C203-C418 WeakPolarHBondContact CB-SG 3.28Å; C203-C418 WeakPolarHBondContact SG-CA 3.5Å; C203-C418 WeakPolarHBondContact SG-CB 3.48Å; C203-C418 CovalentContact SG-SG 2.04Å; C203-C418 PolarHBondContact SG-SG 2.89Å | ||
| 204 | S | 76.3 | Confident | 70.5 | Confident | 45 Ų | 45 | 80.5 Ų | 80.5 | 32% | 0.315 | 38% | 0.375 | S | S | . | . | trans | -56.4 | 137.1 | 169.2 | -66.6 | 0 | 0 | 0 | 0 | 111.2 | S174 N202 H206 | S174-S204 WeakPolarHBondContact CB-OG 3.29Å; S174-S204 PolarHBondContact OG-OG 3.41Å; N202-S204 WeakPolarHBondContact OD1-CB 3.43Å; N202-S204 PolarHBondContact OD1-N 3.46Å; N202-S204 PolarHBondContact OD1-OG 3.38Å; S204-H206 PolarHBondContact O-N 3.27Å | ||
| 205 | R | 60.4 | Low | 69.7 | Low | 239 Ų | 239 | 82.1 Ų | 82.1 | 90% | 0.902 | 38% | 0.382 | S | S | * | . | trans | -71.6 | 87.4 | -172.1 | -72.1 | -176.8 | 173.1 | -176.8 | -2 | 112.9 | ||||
| 206 | H | 52.2 | Low | 69.4 | Low | 163 Ų | 163 | 81.3 Ų | 81.3 | 76% | 0.755 | 38% | 0.379 | S | S | * | . | trans | -110.8 | 130.9 | 168.1 | -64.3 | -56 | 0 | 0 | 0 | 111.8 | S204 F208 | S204-H206 PolarHBondContact O-N 3.27Å; H206-F208 VanDerWaalsContact C-N 3.29Å; H206-F208 PolarHBondContact O-N 3.32Å; H206-F208 VanDerWaalsContact O-N 3.08Å | ||
| 207 | Y | 45.9 | Very low | 69.2 | Low | 209 Ų | 209 | 81.9 Ų | 81.9 | 82% | 0.82 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -84.8 | 27.1 | -158 | -109 | -87.9 | 0 | 0 | 0 | 115.5 | ||
| 208 | F | 38.9 | Very low | 69.1 | Low | 174 Ų | 174 | 81.4 Ų | 81.4 | 76% | 0.763 | 38% | 0.379 | S | S | * | . | trans | -136.2 | 120.7 | -174.1 | -66.5 | -71.5 | 0 | 0 | 0 | 113.5 | H206 R210 | H206-F208 VanDerWaalsContact C-N 3.29Å; H206-F208 PolarHBondContact O-N 3.32Å; H206-F208 VanDerWaalsContact O-N 3.08Å; F208-R210 PolarHBondContact O-N 2.72Å | ||
| 209 | P | 45.3 | Very low | 69.1 | Low | 131 Ų | 131 | 84.1 Ų | 84.1 | 85% | 0.851 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -83.9 | 45.6 | -175.4 | 36.3 | -38.2 | 0 | 0 | 0 | 112.7 | ||
| 210 | R | 42.8 | Very low | 69.3 | Low | 215 Ų | 215 | 83.7 Ų | 83.7 | 81% | 0.811 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -140.5 | 120.3 | 174.2 | -70.3 | -169.7 | 174 | 153.7 | 2.2 | 110 | F208 | F208-R210 PolarHBondContact O-N 2.72Š|
| 211 | H | 43.6 | Very low | 69.4 | Low | 155 Ų | 155 | 85.8 Ų | 85.8 | 72% | 0.718 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -52.2 | 154.6 | -170 | -58.2 | -60.1 | 0 | 0 | 0 | 115.1 | ||
| 212 | P | 50.8 | Low | 69.7 | Low | 78 Ų | 78 | 82.5 Ų | 82.5 | 51% | 0.506 | 39% | 0.387 | S | S | . | . | cis | -118.7 | 142.2 | 15.6 | 38.3 | -26.3 | 0 | 0 | 0 | 116 | P246 | P212-P246 HydrophobicContact CB-CB 4.24Å; P212-P246 HydrophobicContact CB-CG 3.76Å; P212-P246 HydrophobicContact CG-CB 3.74Å; P212-P246 HydrophobicContact CG-CG 3.67Å | ||
| 213 | N | 57.1 | Low | 70 | Confident | 62 Ų | 62 | 83.7 Ų | 83.7 | 33% | 0.332 | 39% | 0.391 | S | S | . | . | trans | -76.5 | 151 | 154.6 | -63.2 | 36.5 | 0 | 0 | 0 | 107.6 | R201 N202 F215 | R201-N213 HydrophobicContact CG-CB 4.3Å; N202-N213 PolarHBondContact O-ND2 3.14Å; N213-F215 WeakPolarHBondContact O-CD2 3.29Å; N213-F215 VanDerWaalsContact O-CE2 3.29Å; N213-F215 WeakPolarHBondContact O-CE2 3.22Å; N213-F215 PolarHBondContact O-N 2.82Å | ||
| 214 | V | 61.7 | Low | 70.4 | Confident | 43 Ų | 43 | 82.5 Ų | 82.5 | 26% | 0.261 | 38% | 0.383 | S | S | . | . | trans | -63.4 | 133.4 | 173.7 | -179 | 0 | 0 | 0 | 0 | 109.3 | F175 N202 V243 | F175-V214 HydrophobicContact CE1-CG1 4.22Å; F175-V214 HydrophobicContact CZ-CB 4.23Å; F175-V214 HydrophobicContact CZ-CG1 3.86Å; N202-V214 HydrophobicContact CB-CB 4.03Å; N202-V214 WeakPolarHBondContact CB-O 3.17Å; N202-V214 PolarHBondContact N-O 3.47Å; V214-V243 HydrophobicContact CG1-CG1 3.34Å | ||
| 215 | F | 76.8 | Confident | 70.9 | Confident | 49 Ų | 49 | 83.1 Ų | 83.1 | 22% | 0.215 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 143.7 | 174.8 | -67.6 | -88.9 | 0 | 0 | 0 | 109.4 | L81 D178 V200 R201 N213 F244 | L81-F215 HydrophobicContact CD1-CB 4.18Å; D178-F215 WeakPolarHBondContact OD2-CE1 3.36Å; V200-F215 WeakPolarHBondContact O-CA 3.41Å; R201-F215 HydrophobicContact CG-CD1 4.49Å; R201-F215 HydrophobicContact CG-CE1 4.17Å; N213-F215 WeakPolarHBondContact O-CD2 3.29Å; N213-F215 VanDerWaalsContact O-CE2 3.29Å; N213-F215 WeakPolarHBondContact O-CE2 3.22Å; N213-F215 PolarHBondContact O-N 2.82Å; F215-F244 PolarHBondContact O-N 2.8Å |
| 216 | G | 86 | Confident | 71.8 | Confident | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 171.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V200 E242 | V200-G216 PolarHBondContact N-O 3.36Å; V200-G216 PolarHBondContact O-N 2.75Å; G216-E242 CarbonylContact C-O 3.2Å; G216-E242 WeakPolarHBondContact CA-O 3.4Å |
| 217 | F | 90.1 | Very high | 72.6 | Confident | 13 Ų | 13 | 77.5 Ų | 77.5 | 6% | 0.057 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 123.5 | 175 | -172 | -81.4 | 0 | 0 | 0 | 108.5 | Y46 S79 E181 D197 K219 C241 E242 F244 | Y46-F217 HydrophobicContact CE1-CE1 4.49Å; Y46-F217 AromaticContact CE1-CZ 3.78Å; Y46-F217 HydrophobicContact CE1-CZ 3.78Å; Y46-F217 AromaticContact CZ-CZ 3.7Å; Y46-F217 WeakPolarHBondContact OH-CZ 3.41Å; S79-F217 VanDerWaalsContact CB-CD2 3.5Å; E181-F217 HydrophobicContact CB-CE2 4.15Å; E181-F217 HydrophobicContact CB-CZ 4.47Å; E181-F217 HydrophobicContact CG-CE2 3.84Å; D197-F217 HydrophobicContact CB-CE1 4.16Å; D197-F217 HydrophobicContact CB-CZ 3.86Å; F217-K219 HydrophobicContact CD1-CG 4.33Å; F217-K219 HydrophobicContact CE1-CG 3.95Å; F217-C241 WeakPolarHBondContact O-CA 3.37Å; F217-E242 PolarHBondContact N-O 3.46Å; F217-E242 PolarHBondContact O-N 2.73Å; F217-F244 HydrophobicContact CB-CE2 3.72Å; F217-F244 HydrophobicContact CB-CZ 4.27Å |
| 218 | C | 92.4 | Very high | 73.7 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 143.7 | -175.6 | -66.1 | 0 | 0 | 0 | 0 | 110.8 | D197 F198 I239 N240 C241 | D197-C218 WeakPolarHBondContact CA-O 3.4Å; F198-C218 HydrophobicContact CD1-CB 4.11Å; F198-C218 HydrophobicContact CD2-CB 3.94Å; F198-C218 HydrophobicContact CE1-CB 3.72Å; F198-C218 HydrophobicContact CE2-CB 3.52Å; F198-C218 HydrophobicContact CG-CB 4.24Å; F198-C218 HydrophobicContact CZ-CB 3.42Å; F198-C218 VanDerWaalsContact CZ-CB 3.42Å; F198-C218 PolarHBondContact N-O 2.72Å; F198-C218 PolarHBondContact O-N 2.84Å; C218-I239 HydrophobicContact CB-CD1 4.18Å; C218-N240 CarbonylContact C-O 3.56Å; C218-N240 WeakPolarHBondContact CA-O 3.45Å; C218-C241 HydrophobicContact CB-CB 4.16Å; C218-C241 WeakPolarHBondContact CB-SG 3.27Å; C218-C241 WeakPolarHBondContact SG-CB 3.42Å; C218-C241 CovalentContact SG-SG 2.04Å; C218-C241 PolarHBondContact SG-SG 2.9Å |
| 219 | K | 92.9 | Very high | 75 | Confident | 57 Ų | 57 | 70 Ų | 70 | 25% | 0.248 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 113.7 | 174.3 | -68.5 | -163 | 170.8 | 179.3 | 0 | 107.7 | D77 R96 D197 F217 I239 N240 | D77-K219 WeakPolarHBondContact O-CE 3.46Å; D77-K219 PolarHBondContact O-NZ 3.16Å; R96-K219 VanDerWaalsContact NH2-C 3.29Å; D197-K219 WeakPolarHBondContact OD1-CG 3.37Å; F217-K219 HydrophobicContact CD1-CG 4.33Å; F217-K219 HydrophobicContact CE1-CG 3.95Å; K219-I239 WeakPolarHBondContact O-CA 3.3Å; K219-N240 PolarHBondContact N-O 2.69Å; K219-N240 PolarHBondContact O-N 3.15Å |
| 220 | A | 94.2 | Very high | 76.1 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 140.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R96 A161 V196 F198 L222 V238 I239 | R96-A220 PolarHBondContact NH2-O 2.98Å; A161-A220 HydrophobicContact CB-CB 3.55Å; V196-A220 PolarHBondContact N-O 2.92Å; V196-A220 PolarHBondContact O-N 3.25Å; F198-A220 HydrophobicContact CE1-CB 3.98Å; A220-L222 HydrophobicContact CB-CD1 3.92Å; A220-V238 CarbonylContact C-O 3.53Å; A220-V238 WeakPolarHBondContact CA-O 3.48Å; A220-I239 HydrophobicContact CB-CB 4.2Å; A220-I239 HydrophobicContact CB-CD1 4.34Å; A220-I239 HydrophobicContact CB-CG1 4.37Å |
| 221 | D | 93.8 | Very high | 77.9 | Confident | 44 Ų | 44 | 60.2 Ų | 60.2 | 24% | 0.235 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 117.9 | 174.3 | -62.9 | -69.3 | 0 | 0 | 0 | 107.2 | R96 F195 L237 V238 | R96-D221 IonicContact CZ-OD1 3.54Å; R96-D221 IonicContact CZ-OD2 3.17Å; R96-D221 IonicContact NE-OD1 2.81Å; R96-D221 PolarHBondContact NE-OD1 3.04Å; R96-D221 IonicContact NE-OD2 2.7Å; R96-D221 PolarHBondContact NE-OD2 3.08Å; R96-D221 VanDerWaalsContact NE-OD2 3.16Å; R96-D221 IonicContact NH2-OD1 2.73Å; R96-D221 PolarHBondContact NH2-OD1 3.33Å; R96-D221 IonicContact NH2-OD2 2.68Å; R96-D221 PolarHBondContact NH2-OD2 2.82Å; F195-D221 WeakPolarHBondContact CD1-OD1 3.48Å; F195-D221 VanDerWaalsContact CE1-OD1 3.29Å; F195-D221 WeakPolarHBondContact CE1-OD1 3.46Å; D221-L237 WeakPolarHBondContact O-CA 3.4Å; D221-V238 HydrophobicContact CB-CB 4.36Å; D221-V238 PolarHBondContact N-O 2.92Å; D221-V238 PolarHBondContact O-N 2.83Å |
| 222 | L | 93.5 | Very high | 79.6 | Confident | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 115.1 | -176.3 | -57.1 | 87.8 | 0 | 0 | 0 | 109.5 | Q157 S193 Y194 V196 A220 Y224 P234 L237 | Q157-L222 HydrophobicContact CB-CD2 3.75Å; Q157-L222 HydrophobicContact CG-CD2 3.99Å; S193-L222 CarbonylContact C-O 3.56Å; S193-L222 WeakPolarHBondContact CA-O 3.47Å; Y194-L222 PolarHBondContact N-O 2.04Å; Y194-L222 PolarHBondContact O-N 3.45Å; V196-L222 HydrophobicContact CB-CD1 4.4Å; V196-L222 HydrophobicContact CG2-CD1 3.94Å; A220-L222 HydrophobicContact CB-CD1 3.92Å; L222-Y224 HydrophobicContact CB-CD2 4.43Å; L222-Y224 HydrophobicContact CB-CE2 3.7Å; L222-Y224 HydrophobicContact CD2-CE2 4.46Å; L222-P234 HydrophobicContact CB-CB 4.19Å; L222-P234 HydrophobicContact CD2-CG 4.31Å; L222-L237 HydrophobicContact CD2-CD1 3.79Å; L222-L237 HydrophobicContact CG-CD1 3.89Å; L222-L237 HydrophobicContact CG-CG 4.13Å |
| 223 | F | 92.4 | Very high | 81.1 | Confident | 52 Ų | 52 | 57.4 Ų | 57.4 | 23% | 0.228 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 133.1 | 177.4 | -176.3 | -95.8 | 0 | 0 | 0 | 111.2 | P234 K235 D236 | F223-P234 CarbonylContact O-C 3.55Å; F223-P234 WeakPolarHBondContact O-CA 3.24Å; F223-P234 WeakPolarHBondContact O-CB 3.24Å; F223-K235 HydrophobicContact CD1-CB 4.34Å; F223-K235 HydrophobicContact CD1-CD 4.31Å; F223-K235 HydrophobicContact CE1-CD 4.23Å; F223-K235 PolarHBondContact O-N 3.43Å; F223-D236 HydrophobicContact CB-CB 4.22Å; F223-D236 PolarHBondContact N-O 3.43Å; F223-D236 PolarHBondContact O-N 3.13Å |
| 224 | Y | 90.8 | Very high | 82.7 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.008 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 140.9 | 179.4 | -64.4 | -93.3 | 0 | 0 | 0 | 110.1 | G191 T192 Y194 L222 D228 L231 P234 | G191-Y224 WeakPolarHBondContact CA-O 3.31Å; T192-Y224 PolarHBondContact N-O 3.38Å; T192-Y224 PolarHBondContact O-N 3.19Å; Y194-Y224 AromaticContact CD2-CD2 3.68Å; Y194-Y224 HydrophobicContact CD2-CD2 3.68Å; Y194-Y224 AromaticContact CD2-CE2 3.71Å; Y194-Y224 HydrophobicContact CD2-CE2 3.71Å; Y194-Y224 HydrophobicContact CE2-CD2 4.02Å; Y194-Y224 HydrophobicContact CE2-CE2 4.23Å; L222-Y224 HydrophobicContact CB-CD2 4.43Å; L222-Y224 HydrophobicContact CB-CE2 3.7Å; L222-Y224 HydrophobicContact CD2-CE2 4.46Å; Y224-D228 HydrophobicContact CD1-CB 4.15Å; Y224-L231 HydrophobicContact CD1-CD2 4.13Å; Y224-L231 HydrophobicContact CD2-CD2 4.09Å; Y224-L231 VanDerWaalsContact CE1-C 3.41Å; Y224-L231 VanDerWaalsContact CE1-CA 3.41Å; Y224-L231 HydrophobicContact CE1-CB 4.03Å; Y224-L231 HydrophobicContact CE1-CD2 4.17Å; Y224-L231 WeakPolarHBondContact CE1-O 3.36Å; Y224-L231 HydrophobicContact CE2-CD2 4.11Å; Y224-L231 HydrophobicContact CG-CD2 4.07Å; Y224-L231 PolarHBondContact OH-O 3.08Å; Y224-P234 HydrophobicContact CD1-CB 4.1Å; Y224-P234 HydrophobicContact CD2-CB 4.36Å; Y224-P234 HydrophobicContact CE1-CB 3.73Å; Y224-P234 HydrophobicContact CE1-CG 4.32Å; Y224-P234 HydrophobicContact CE2-CB 4.03Å; Y224-P234 HydrophobicContact CG-CB 4.42Å |
| 225 | D | 86.7 | Confident | 84 | Confident | 57 Ų | 57 | 60 Ų | 60 | 31% | 0.305 | 31% | 0.306 | S | S | . | . | trans | -72.6 | 163.5 | 174.3 | -86.4 | -11.2 | 0 | 0 | 0 | 110.9 | E227 D228 K235 | D225-E227 PolarHBondContact O-N 3.46Å; D225-D228 PolarHBondContact N-OD2 3.48Å; D225-D228 PolarHBondContact O-N 2.69Å; D225-D228 VanDerWaalsContact O-N 3.09Å; D225-K235 WeakPolarHBondContact OD1-CD 3.49Å; D225-K235 WeakPolarHBondContact OD1-CE 3.38Å; D225-K235 IonicContact OD1-NZ 2.77Å; D225-K235 PolarHBondContact OD1-NZ 2.94Å; D225-K235 VanDerWaalsContact OD2-CD 3.27Å; D225-K235 WeakPolarHBondContact OD2-CD 3.26Å; D225-K235 IonicContact OD2-NZ 3.94Å; D225-K235 PolarHBondContact OD2-NZ 2.86Å | ||
| 226 | V | 80 | Confident | 84.7 | Confident | 106 Ų | 106 | 62 Ų | 62 | 64% | 0.642 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -18.6 | -175.6 | -176.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 227 | E | 70.2 | Confident | 85 | Confident | 179 Ų | 179 | 62.6 Ų | 62.6 | 84% | 0.836 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -12.1 | -179.5 | -56.8 | -171 | 170.9 | 0 | 0 | 113.7 | D225 L229 | D225-E227 PolarHBondContact O-N 3.46Å; E227-L229 PolarHBondContact O-N 3.02Å |
| 228 | D | 67.6 | Low | 85.2 | Confident | 57 Ų | 57 | 65.8 Ų | 65.8 | 31% | 0.305 | 34% | 0.343 | S | S | . | . | trans | -81.7 | 78 | -172.8 | -66.1 | -38 | 0 | 0 | 0 | 112.9 | Y224 D225 D230 | Y224-D228 HydrophobicContact CD1-CB 4.15Å; D225-D228 PolarHBondContact N-OD2 3.48Å; D225-D228 PolarHBondContact O-N 2.69Å; D225-D228 VanDerWaalsContact O-N 3.09Å; D228-D230 PolarHBondContact O-N 3.18Å | ||
| 229 | L | 65.8 | Low | 85.2 | Confident | 167 Ų | 167 | 66.9 Ų | 66.9 | 87% | 0.874 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -16.5 | -175.1 | -66.1 | 177.6 | 0 | 0 | 0 | 115.9 | E227 | E227-L229 PolarHBondContact O-N 3.02Š|
| 230 | D | 69.9 | Low | 85.2 | Confident | 107 Ų | 107 | 68.8 Ų | 68.8 | 57% | 0.572 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -10.1 | -173.2 | 61.4 | 24.5 | 0 | 0 | 0 | 114.7 | D228 E232 | D228-D230 PolarHBondContact O-N 3.18Å; D230-E232 HydrophobicContact CB-CB 4.38Å; D230-E232 PolarHBondContact O-N 3.26Å; D230-E232 VanDerWaalsContact O-N 3.1Å; D230-E232 VanDerWaalsContact OD1-CB 3.3Å; D230-E232 WeakPolarHBondContact OD1-CB 3.49Å; D230-E232 PolarHBondContact OD1-N 2.8Å |
| 231 | L | 79.8 | Confident | 85 | Confident | 35 Ų | 35 | 69.2 Ų | 69.2 | 18% | 0.183 | 37% | 0.365 | C | S | . | . | trans | 52.5 | 19.5 | -171.4 | -53.2 | 179.8 | 0 | 0 | 0 | 114.5 | Y194 Y224 | Y194-L231 HydrophobicContact CD2-CD2 4.4Å; Y194-L231 HydrophobicContact CE1-CD1 4.33Å; Y194-L231 HydrophobicContact CE2-CD1 4.13Å; Y194-L231 HydrophobicContact CE2-CD2 3.52Å; Y194-L231 HydrophobicContact CE2-CG 4.5Å; Y224-L231 HydrophobicContact CD1-CD2 4.13Å; Y224-L231 HydrophobicContact CD2-CD2 4.09Å; Y224-L231 VanDerWaalsContact CE1-C 3.41Å; Y224-L231 VanDerWaalsContact CE1-CA 3.41Å; Y224-L231 HydrophobicContact CE1-CB 4.03Å; Y224-L231 HydrophobicContact CE1-CD2 4.17Å; Y224-L231 WeakPolarHBondContact CE1-O 3.36Å; Y224-L231 HydrophobicContact CE2-CD2 4.11Å; Y224-L231 HydrophobicContact CG-CD2 4.07Å; Y224-L231 PolarHBondContact OH-O 3.08Å | ||
| 232 | E | 78.3 | Confident | 84.8 | Confident | 103 Ų | 103 | 70.8 Ų | 70.8 | 48% | 0.481 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -79 | -37.4 | -174.3 | -175.5 | 139.4 | -85.4 | 0 | 0 | 112.2 | K156 K160 D230 | K156-E232 IonicContact NZ-OE1 2.66Å; K156-E232 PolarHBondContact NZ-OE1 2.76Å; K160-E232 PolarHBondContact NZ-O 3.08Å; D230-E232 HydrophobicContact CB-CB 4.38Å; D230-E232 PolarHBondContact O-N 3.26Å; D230-E232 VanDerWaalsContact O-N 3.1Å; D230-E232 VanDerWaalsContact OD1-CB 3.3Å; D230-E232 WeakPolarHBondContact OD1-CB 3.49Å; D230-E232 PolarHBondContact OD1-N 2.8Å |
| 233 | S | 83.3 | Confident | 84.3 | Confident | 71 Ų | 71 | 74 Ų | 74 | 50% | 0.497 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -128.6 | 97.9 | -179 | -66.7 | 0 | 0 | 0 | 0 | 112.5 | ||
| 234 | P | 89.8 | Confident | 83.7 | Confident | 24 Ų | 24 | 72.5 Ų | 72.5 | 16% | 0.156 | 38% | 0.383 | C | S | . | . | trans | -69.2 | 144.8 | 170 | 29.6 | -33.2 | 0 | 0 | 0 | 110.4 | L222 F223 Y224 L237 | L222-P234 HydrophobicContact CB-CB 4.19Å; L222-P234 HydrophobicContact CD2-CG 4.31Å; F223-P234 CarbonylContact O-C 3.55Å; F223-P234 WeakPolarHBondContact O-CA 3.24Å; F223-P234 WeakPolarHBondContact O-CB 3.24Å; Y224-P234 HydrophobicContact CD1-CB 4.1Å; Y224-P234 HydrophobicContact CD2-CB 4.36Å; Y224-P234 HydrophobicContact CE1-CB 3.73Å; Y224-P234 HydrophobicContact CE1-CG 4.32Å; Y224-P234 HydrophobicContact CE2-CB 4.03Å; Y224-P234 HydrophobicContact CG-CB 4.42Å; P234-L237 HydrophobicContact CG-CB 4.31Å; P234-L237 HydrophobicContact CG-CD1 3.91Å | ||
| 235 | K | 89.8 | Confident | 82.5 | Confident | 134 Ų | 134 | 75.1 Ų | 75.1 | 58% | 0.583 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -79.2 | -34.4 | 179.7 | 171.4 | 174.3 | 173.4 | 178.7 | 0 | 112.8 | F223 D225 | F223-K235 HydrophobicContact CD1-CB 4.34Å; F223-K235 HydrophobicContact CD1-CD 4.31Å; F223-K235 HydrophobicContact CE1-CD 4.23Å; F223-K235 PolarHBondContact O-N 3.43Å; D225-K235 WeakPolarHBondContact OD1-CD 3.49Å; D225-K235 WeakPolarHBondContact OD1-CE 3.38Å; D225-K235 IonicContact OD1-NZ 2.77Å; D225-K235 PolarHBondContact OD1-NZ 2.94Å; D225-K235 VanDerWaalsContact OD2-CD 3.27Å; D225-K235 WeakPolarHBondContact OD2-CD 3.26Å; D225-K235 IonicContact OD2-NZ 3.94Å; D225-K235 PolarHBondContact OD2-NZ 2.86Å |
| 236 | D | 90.8 | Very high | 81.1 | Confident | 91 Ų | 91 | 74.3 Ų | 74.3 | 49% | 0.487 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 144.7 | 164.3 | -168.3 | 13.6 | 0 | 0 | 0 | 109.6 | F223 | F223-D236 HydrophobicContact CB-CB 4.22Å; F223-D236 PolarHBondContact N-O 3.43Å; F223-D236 PolarHBondContact O-N 3.13Å |
| 237 | L | 93.2 | Very high | 79.8 | Confident | 14 Ų | 14 | 76.8 Ų | 76.8 | 7% | 0.073 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 110.2 | 175.4 | -168.5 | 153.9 | 0 | 0 | 0 | 109.1 | A161 K164 D221 L222 P234 I239 | A161-L237 HydrophobicContact CB-CD1 4.04Å; A161-L237 HydrophobicContact CB-CD2 3.93Å; A161-L237 HydrophobicContact CB-CG 4.45Å; K164-L237 HydrophobicContact CB-CD2 4.43Å; K164-L237 HydrophobicContact CD-CB 4.46Å; K164-L237 HydrophobicContact CD-CD2 3.81Å; K164-L237 PolarHBondContact NZ-O 3.29Å; D221-L237 WeakPolarHBondContact O-CA 3.4Å; L222-L237 HydrophobicContact CD2-CD1 3.79Å; L222-L237 HydrophobicContact CG-CD1 3.89Å; L222-L237 HydrophobicContact CG-CG 4.13Å; P234-L237 HydrophobicContact CG-CB 4.31Å; P234-L237 HydrophobicContact CG-CD1 3.91Å; L237-I239 HydrophobicContact CD2-CB 4.18Å; L237-I239 HydrophobicContact CD2-CG2 3.7Å |
| 238 | V | 93.4 | Very high | 78.7 | Confident | 79 Ų | 79 | 75.9 Ų | 75.9 | 48% | 0.479 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 137.4 | 171.6 | -179.1 | 0 | 0 | 0 | 0 | 107.9 | A220 D221 | A220-V238 CarbonylContact C-O 3.53Å; A220-V238 WeakPolarHBondContact CA-O 3.48Å; D221-V238 HydrophobicContact CB-CB 4.36Å; D221-V238 PolarHBondContact N-O 2.92Å; D221-V238 PolarHBondContact O-N 2.83Å |
| 239 | I | 93.3 | Very high | 77.7 | Confident | 23 Ų | 23 | 76.4 Ų | 76.4 | 12% | 0.118 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 134.1 | 175.9 | 172.1 | 167.2 | 0 | 0 | 0 | 110.2 | A161 Y165 F198 C218 K219 A220 L237 | A161-I239 HydrophobicContact CB-CD1 3.82Å; Y165-I239 HydrophobicContact CD2-CG1 4.21Å; Y165-I239 HydrophobicContact CD2-CG2 4.06Å; Y165-I239 HydrophobicContact CG-CG1 4.49Å; Y165-I239 HydrophobicContact CG-CG2 4.46Å; F198-I239 HydrophobicContact CE1-CD1 4.24Å; F198-I239 HydrophobicContact CZ-CD1 3.75Å; C218-I239 HydrophobicContact CB-CD1 4.18Å; K219-I239 WeakPolarHBondContact O-CA 3.3Å; A220-I239 HydrophobicContact CB-CB 4.2Å; A220-I239 HydrophobicContact CB-CD1 4.34Å; A220-I239 HydrophobicContact CB-CG1 4.37Å; L237-I239 HydrophobicContact CD2-CB 4.18Å; L237-I239 HydrophobicContact CD2-CG2 3.7Å |
| 240 | N | 92 | Very high | 76.5 | Confident | 98 Ų | 98 | 70.9 Ų | 70.9 | 52% | 0.524 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 141.3 | 169.7 | -177.7 | 26 | 0 | 0 | 0 | 109.2 | C218 K219 | C218-N240 CarbonylContact C-O 3.56Å; C218-N240 WeakPolarHBondContact CA-O 3.45Å; K219-N240 PolarHBondContact N-O 2.69Å; K219-N240 PolarHBondContact O-N 3.15Å |
| 241 | C | 91.1 | Very high | 75.1 | Confident | 9 Ų | 9 | 73.2 Ų | 73.2 | 6% | 0.061 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 125.2 | 178.2 | -65.3 | 0 | 0 | 0 | 0 | 110.9 | Y165 F172 F217 C218 | Y165-C241 HydrophobicContact CD1-CB 4.35Å; Y165-C241 HydrophobicContact CE1-CB 3.85Å; Y165-C241 HydrophobicContact CE2-CB 4.31Å; F172-C241 HydrophobicContact CE1-CB 3.49Å; F172-C241 VanDerWaalsContact CE1-CB 3.49Å; F172-C241 HydrophobicContact CZ-CB 3.54Å; F217-C241 WeakPolarHBondContact O-CA 3.37Å; C218-C241 HydrophobicContact CB-CB 4.16Å; C218-C241 WeakPolarHBondContact CB-SG 3.27Å; C218-C241 WeakPolarHBondContact SG-CB 3.42Å; C218-C241 CovalentContact SG-SG 2.04Å; C218-C241 PolarHBondContact SG-SG 2.9Å |
| 242 | E | 88.6 | Confident | 73.6 | Confident | 76 Ų | 76 | 73.5 Ų | 73.5 | 36% | 0.355 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 143.6 | 168 | -68.2 | -173.5 | -132.4 | 0 | 0 | 110 | K84 G216 F217 F244 | K84-E242 VanDerWaalsContact NZ-CD 3.31Å; K84-E242 IonicContact NZ-OE1 3.21Å; K84-E242 PolarHBondContact NZ-OE1 2.84Å; K84-E242 VanDerWaalsContact NZ-OE1 3.14Å; K84-E242 IonicContact NZ-OE2 2.78Å; K84-E242 PolarHBondContact NZ-OE2 2.89Å; G216-E242 CarbonylContact C-O 3.2Å; G216-E242 WeakPolarHBondContact CA-O 3.4Å; F217-E242 PolarHBondContact N-O 3.46Å; F217-E242 PolarHBondContact O-N 2.73Å; E242-F244 HydrophobicContact CB-CE1 3.66Å; E242-F244 HydrophobicContact CB-CE2 4.23Å; E242-F244 HydrophobicContact CB-CZ 3.4Å; E242-F244 HydrophobicContact CG-CZ 4.44Å |
| 243 | V | 84.6 | Confident | 71.8 | Confident | 69 Ų | 69 | 74.5 Ų | 74.5 | 42% | 0.418 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 138.5 | 175.7 | -172.7 | 0 | 0 | 0 | 0 | 109.4 | F172 F175 V214 | F172-V243 HydrophobicContact CE1-CG2 4.12Å; F172-V243 HydrophobicContact CE2-CG2 3.45Å; F172-V243 VanDerWaalsContact CE2-CG2 3.45Å; F172-V243 HydrophobicContact CZ-CG2 3.17Å; F175-V243 HydrophobicContact CZ-CG1 4.14Å; V214-V243 HydrophobicContact CG1-CG1 3.34Å |
| 244 | F | 78.8 | Confident | 69.9 | Low | 21 Ų | 21 | 71.6 Ų | 71.6 | 9% | 0.092 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 115.2 | -176.8 | -44.9 | -67.5 | 0 | 0 | 0 | 110.7 | L81 S82 F215 F217 E242 P246 | L81-F244 HydrophobicContact CB-CD2 3.46Å; L81-F244 VanDerWaalsContact CB-CD2 3.46Å; L81-F244 HydrophobicContact CB-CE2 3.65Å; L81-F244 HydrophobicContact CB-CG 4.13Å; L81-F244 HydrophobicContact CB-CZ 4.48Å; L81-F244 HydrophobicContact CD1-CD2 4.3Å; L81-F244 HydrophobicContact CD1-CE2 4.46Å; S82-F244 VanDerWaalsContact CA-CE1 3.44Å; F215-F244 PolarHBondContact O-N 2.8Å; F217-F244 HydrophobicContact CB-CE2 3.72Å; F217-F244 HydrophobicContact CB-CZ 4.27Å; E242-F244 HydrophobicContact CB-CE1 3.66Å; E242-F244 HydrophobicContact CB-CE2 4.23Å; E242-F244 HydrophobicContact CB-CZ 3.4Å; E242-F244 HydrophobicContact CG-CZ 4.44Å; F244-P246 WeakPolarHBondContact O-CD 3.29Å |
| 245 | D | 66.1 | Low | 67.7 | Low | 57 Ų | 57 | 72 Ų | 72 | 31% | 0.305 | 39% | 0.386 | S | S | . | . | trans | -82.9 | 118.8 | 170.6 | -168.6 | -30.8 | 0 | 0 | 0 | 109.9 | Q247 E248 | D245-Q247 PolarHBondContact O-N 2.88Å; D245-Q247 VanDerWaalsContact O-N 3.11Å; D245-Q247 VanDerWaalsContact OD1-CB 3.26Å; D245-Q247 WeakPolarHBondContact OD1-CB 3.49Å; D245-Q247 WeakPolarHBondContact OD1-CG 3Å; D245-Q247 PolarHBondContact OD1-N 2.81Å; D245-Q247 PolarHBondContact OD1-NE2 3.27Å; D245-Q247 PolarHBondContact OD2-NE2 2.84Å; D245-E248 HydrophobicContact CB-CG 4.37Å; D245-E248 PolarHBondContact O-N 2.82Å | ||
| 246 | P | 57.1 | Low | 65.1 | Low | 40 Ų | 40 | 67.6 Ų | 67.6 | 26% | 0.26 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -16.8 | 177.2 | -25.2 | 38.1 | 0 | 0 | 0 | 115.2 | P212 F244 | P212-P246 HydrophobicContact CB-CB 4.24Å; P212-P246 HydrophobicContact CB-CG 3.76Å; P212-P246 HydrophobicContact CG-CB 3.74Å; P212-P246 HydrophobicContact CG-CG 3.67Å; F244-P246 WeakPolarHBondContact O-CD 3.29Å |
| 247 | Q | 51.6 | Low | 62.4 | Low | 158 Ų | 158 | 67 Ų | 67 | 74% | 0.738 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -36.9 | -178.9 | -62.1 | 172.5 | 104.6 | 0 | 0 | 112.6 | D245 H249 G250 | D245-Q247 PolarHBondContact O-N 2.88Å; D245-Q247 VanDerWaalsContact O-N 3.11Å; D245-Q247 VanDerWaalsContact OD1-CB 3.26Å; D245-Q247 WeakPolarHBondContact OD1-CB 3.49Å; D245-Q247 WeakPolarHBondContact OD1-CG 3Å; D245-Q247 PolarHBondContact OD1-N 2.81Å; D245-Q247 PolarHBondContact OD1-NE2 3.27Å; D245-Q247 PolarHBondContact OD2-NE2 2.84Å; Q247-H249 PolarHBondContact O-N 3.3Å; Q247-H249 VanDerWaalsContact O-N 3.13Å; Q247-G250 PolarHBondContact O-N 3.44Å |
| 248 | E | 48.4 | Very low | 59.7 | Low | 161 Ų | 161 | 72.7 Ų | 72.7 | 75% | 0.752 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -12.6 | 179.2 | -66.8 | -157.8 | 144.9 | 0 | 0 | 113.1 | D245 | D245-E248 HydrophobicContact CB-CG 4.37Å; D245-E248 PolarHBondContact O-N 2.82Å |
| 249 | H | 46.7 | Very low | 56.8 | Low | 67 Ų | 67 | 73.7 Ų | 73.7 | 31% | 0.31 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | 20.7 | -175 | -55.7 | -20.5 | 0 | 0 | 0 | 113.3 | R83 Q247 N251 I252 | R83-H249 HydrophobicContact CG-CB 4.23Å; R83-H249 VanDerWaalsContact CG-CD2 3.48Å; R83-H249 WeakPolarHBondContact CG-CD2 3.47Å; Q247-H249 PolarHBondContact O-N 3.3Å; Q247-H249 VanDerWaalsContact O-N 3.13Å; H249-N251 VanDerWaalsContact C-N 3.35Å; H249-N251 PolarHBondContact O-N 2.77Å; H249-I252 WeakPolarHBondContact O-CG1 3.42Å |
| 250 | G | 41.1 | Very low | 54 | Low | 52 Ų | 52 | 78.1 Ų | 78.1 | 54% | 0.536 | 41% | 0.411 | S | S | . | . | trans | -68.8 | -24.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q247 I252 | Q247-G250 PolarHBondContact O-N 3.44Å; G250-I252 VanDerWaalsContact C-N 3.35Å; G250-I252 PolarHBondContact O-N 3.32Å; G250-I252 VanDerWaalsContact O-N 3.08Å | ||
| 251 | N | 38.7 | Very low | 50.8 | Low | 155 Ų | 155 | 80.7 Ų | 80.7 | 83% | 0.829 | 42% | 0.419 | S | S | * | . | trans | -87.4 | 67.4 | -176.1 | -70 | -24.9 | 0 | 0 | 0 | 112.1 | H249 | H249-N251 VanDerWaalsContact C-N 3.35Å; H249-N251 PolarHBondContact O-N 2.77Å | ||
| 252 | I | 48.3 | Very low | 47.9 | Very low | 42 Ų | 42 | 85 Ų | 85 | 22% | 0.215 | 45% | 0.447 | C | S | . | . | trans | -95.6 | 109.2 | 171.9 | -47.2 | 179.5 | 0 | 0 | 0 | 109.3 | K40 H249 G250 V255 R260 | K40-I252 HydrophobicContact CB-CG2 4.44Å; K40-I252 HydrophobicContact CD-CG2 4.49Å; H249-I252 WeakPolarHBondContact O-CG1 3.42Å; G250-I252 VanDerWaalsContact C-N 3.35Å; G250-I252 PolarHBondContact O-N 3.32Å; G250-I252 VanDerWaalsContact O-N 3.08Å; I252-V255 HydrophobicContact CB-CG2 4.16Å; I252-V255 HydrophobicContact CG2-CG2 3.66Å; I252-R260 PolarHBondContact O-NH2 2.9Å | ||
| 253 | D | 40.9 | Very low | 45 | Very low | 123 Ų | 123 | 89.4 Ų | 89.4 | 66% | 0.658 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -75.5 | 168.4 | 171.3 | -68.5 | -43.1 | 0 | 0 | 0 | 112.2 | V255 R260 | D253-V255 PolarHBondContact O-N 2.98Å; D253-R260 IonicContact OD1-NH2 3.95Å; D253-R260 PolarHBondContact OD1-NH2 3.15Å |
| 254 | G | 44.1 | Very low | 42.2 | Very low | 10 Ų | 10 | 95.2 Ų | 95.2 | 10% | 0.103 | 49% | 0.488 | C | S | . | . | S | Bend | trans | 73.3 | -29.8 | -171 | 0 | 0 | 0 | 0 | 0 | 115.3 | R120 | R120-G254 WeakPolarHBondContact CD-O 3.44Å; R120-G254 VanDerWaalsContact CG-O 3.26Å; R120-G254 WeakPolarHBondContact CG-O 3.32Å; R120-G254 PolarHBondContact NH1-O 2.9Å |
| 255 | V | 42.9 | Very low | 39.7 | Very low | 34 Ų | 34 | 105.3 Ų | 105.3 | 21% | 0.206 | 53% | 0.525 | C | S | . | . | S | Bend | trans | -66.7 | 130.6 | 178.2 | -179.7 | 0 | 0 | 0 | 0 | 111.5 | I252 D253 F259 | I252-V255 HydrophobicContact CB-CG2 4.16Å; I252-V255 HydrophobicContact CG2-CG2 3.66Å; D253-V255 PolarHBondContact O-N 2.98Å; V255-F259 HydrophobicContact CG1-CB 4.12Å |
| 256 | P | 35.3 | Very low | 37.8 | Very low | 41 Ų | 41 | 106.6 Ų | 106.6 | 27% | 0.266 | 55% | 0.553 | S | S | . | * | trans | -62.7 | 141.3 | -178.5 | -26.3 | 35.5 | 0 | 0 | 0 | 114.1 | H258 F259 | P256-H258 PolarHBondContact O-N 3.46Å; P256-F259 HydrophobicContact CB-CD2 4.42Å; P256-F259 PolarHBondContact O-N 2.97Å | ||
| 257 | P | 34 | Very low | 36.3 | Very low | 78 Ų | 78 | 107.9 Ų | 107.9 | 51% | 0.506 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.2 | -17 | -179.9 | -28.5 | 36.1 | 0 | 0 | 0 | 116.1 | F259 R260 | P257-F259 PolarHBondContact O-N 2.91Å; P257-R260 CarbonylContact O-C 3.57Å; P257-R260 VanDerWaalsContact O-CA 3.29Å; P257-R260 WeakPolarHBondContact O-CA 3.26Å; P257-R260 WeakPolarHBondContact O-CB 3.31Å; P257-R260 PolarHBondContact O-N 3.12Å |
| 258 | H | 35.9 | Very low | 35.1 | Very low | 133 Ų | 133 | 109.2 Ų | 109.2 | 62% | 0.616 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -9 | 176.4 | -58.7 | -55.9 | 0 | 0 | 0 | 113.9 | P256 H486 | P256-H258 PolarHBondContact O-N 3.46Å; H258-H486 AromaticContact CE1-CE1 3.48Å; H258-H486 PolarHBondContact CE1-CE1 2.81Å; H258-H486 VanDerWaalsContact CE1-CE1 3.48Å; H258-H486 AromaticContact CE1-NE2 3.08Å; H258-H486 PolarHBondContact CE1-NE2 2.74Å; H258-H486 AromaticContact NE2-CD2 3.15Å; H258-H486 PolarHBondContact NE2-CD2 3.45Å; H258-H486 AromaticContact NE2-CE1 3.87Å; H258-H486 AromaticContact NE2-NE2 2.69Å; H258-H486 PolarHBondContact NE2-NE2 3.13Å |
| 259 | F | 33.4 | Very low | 33.9 | Very low | 101 Ų | 101 | 109.8 Ų | 109.8 | 44% | 0.443 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.9 | -15.4 | 162 | -64.5 | -80.1 | 0 | 0 | 0 | 112.3 | V255 P256 P257 H261 P456 | V255-F259 HydrophobicContact CG1-CB 4.12Å; P256-F259 HydrophobicContact CB-CD2 4.42Å; P256-F259 PolarHBondContact O-N 2.97Å; P257-F259 PolarHBondContact O-N 2.91Å; F259-H261 PolarHBondContact O-N 2.88Å; F259-P456 HydrophobicContact CE1-CG 4.31Å; F259-P456 HydrophobicContact CE2-CG 4.03Å; F259-P456 HydrophobicContact CZ-CG 3.54Å |
| 260 | R | 34 | Very low | 32.9 | Very low | 116 Ų | 116 | 115.2 Ų | 115.2 | 44% | 0.438 | 61% | 0.606 | S | S | . | * | trans | -87.7 | 79.9 | 166.3 | -59.2 | -174.6 | -175.7 | -179.8 | 2.3 | 108.9 | I252 D253 P257 P262 | I252-R260 PolarHBondContact O-NH2 2.9Å; D253-R260 IonicContact OD1-NH2 3.95Å; D253-R260 PolarHBondContact OD1-NH2 3.15Å; P257-R260 CarbonylContact O-C 3.57Å; P257-R260 VanDerWaalsContact O-CA 3.29Å; P257-R260 WeakPolarHBondContact O-CA 3.26Å; P257-R260 WeakPolarHBondContact O-CB 3.31Å; P257-R260 PolarHBondContact O-N 3.12Å; R260-P262 VanDerWaalsContact C-CD 3.49Å; R260-P262 WeakPolarHBondContact O-CD 3.09Å | ||
| 261 | H | 25.5 | Very low | 32.2 | Very low | 151 Ų | 151 | 117.4 Ų | 117.4 | 70% | 0.699 | 61% | 0.614 | S | S | * | * | trans | -93.8 | 95.3 | 152 | -86.6 | -60.1 | 0 | 0 | 0 | 108.4 | F259 F263 | F259-H261 PolarHBondContact O-N 2.88Å; H261-F263 PolarHBondContact O-N 3.01Å | ||
| 262 | P | 30.7 | Very low | 31.6 | Very low | 100 Ų | 100 | 115.6 Ų | 115.6 | 65% | 0.649 | 61% | 0.613 | S | S | * | * | trans | -60 | 123.3 | 160.9 | -13.3 | 26.6 | 0 | 0 | 0 | 107.7 | R260 H264 | R260-P262 VanDerWaalsContact C-CD 3.49Å; R260-P262 WeakPolarHBondContact O-CD 3.09Å; P262-H264 PolarHBondContact O-N 2.99Å; P262-H264 VanDerWaalsContact O-N 3.13Å | ||
| 263 | F | 26.9 | Very low | 30.5 | Very low | 169 Ų | 169 | 119.9 Ų | 119.9 | 74% | 0.741 | 64% | 0.642 | S | S | * | * | trans | -67.1 | 110.6 | 159.6 | -70.6 | -80.8 | 0 | 0 | 0 | 106.6 | H261 W265 | H261-F263 PolarHBondContact O-N 3.01Å; F263-W265 HydrophobicContact CB-CE3 4.42Å; F263-W265 HydrophobicContact CB-CZ3 4.44Å; F263-W265 PolarHBondContact O-N 2.78Å | ||
| 264 | H | 26.3 | Very low | 29.8 | Very low | 191 Ų | 191 | 120.8 Ų | 120.8 | 88% | 0.884 | 65% | 0.652 | S | S | * | * | trans | -62.9 | 94.8 | 178.1 | -92 | -67.5 | 0 | 0 | 0 | 110.5 | P262 | P262-H264 PolarHBondContact O-N 2.99Å; P262-H264 VanDerWaalsContact O-N 3.13Å | ||
| 265 | W | 26.3 | Very low | 28.9 | Very low | 232 Ų | 232 | 126.7 Ų | 126.7 | 88% | 0.879 | 69% | 0.686 | S | S | * | * | trans | -95.8 | 103.3 | 155.3 | -94.1 | -64.2 | 0 | 0 | 0 | 109.2 | F263 G267 | F263-W265 HydrophobicContact CB-CE3 4.42Å; F263-W265 HydrophobicContact CB-CZ3 4.44Å; F263-W265 PolarHBondContact O-N 2.78Å; W265-G267 PolarHBondContact O-N 3.4Å | ||
| 266 | G | 26.3 | Very low | 28.2 | Very low | 85 Ų | 85 | 134.6 Ų | 134.6 | 88% | 0.876 | 72% | 0.717 | S | S | * | * | trans | -71.8 | 100.6 | 162 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 267 | G | 24 | Very low | 27.8 | Very low | 66 Ų | 66 | 138.3 Ų | 138.3 | 68% | 0.68 | 75% | 0.745 | S | S | * | * | trans | -133.2 | 127.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | W265 | W265-G267 PolarHBondContact O-N 3.4Š| ||
| 268 | H | 26.4 | Very low | 27.7 | Very low | 187 Ų | 187 | 140.6 Ų | 140.6 | 87% | 0.866 | 76% | 0.759 | S | S | * | * | trans | -68.5 | 136 | -167.3 | -75.3 | -87 | 0 | 0 | 0 | 112.9 | H270 | H268-H270 PolarHBondContact O-N 2.79Š| ||
| 269 | E | 23.3 | Very low | 27.3 | Very low | 172 Ų | 172 | 141.3 Ų | 141.3 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -63.8 | 128.1 | 168.1 | -63 | 176.5 | 122.7 | 0 | 0 | 110.7 | ||||
| 270 | H | 26.5 | Very low | 27.2 | Very low | 181 Ų | 181 | 145.1 Ų | 145.1 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -123.4 | 85.5 | 156.2 | -76.8 | -16.1 | 0 | 0 | 0 | 108.2 | H268 S272 | H268-H270 PolarHBondContact O-N 2.79Å; H270-S272 PolarHBondContact O-N 3.48Å | ||
| 271 | S | 25.9 | Very low | 27.1 | Very low | 99 Ų | 99 | 145.8 Ų | 145.8 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | trans | -58.1 | 131.8 | 178.9 | -50.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 272 | S | 27.1 | Very low | 27.2 | Very low | 116 Ų | 116 | 147.9 Ų | 147.9 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | trans | -146.2 | 107.1 | 167.3 | -77.8 | 0 | 0 | 0 | 0 | 108.6 | H270 | H270-S272 PolarHBondContact O-N 3.48Š| ||
| 273 | T | 24.8 | Very low | 26.9 | Very low | 133 Ų | 133 | 146.5 Ų | 146.5 | 82% | 0.816 | 82% | 0.816 | S | S | * | * | trans | -86.7 | 121.9 | -172 | 49.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 274 | T | 25.8 | Very low | 26.8 | Very low | 142 Ų | 142 | 143.5 Ų | 143.5 | 87% | 0.871 | 82% | 0.816 | S | S | * | * | trans | -149.7 | 144.7 | 160 | -13 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 275 | T | 25.1 | Very low | 26.8 | Very low | 134 Ų | 134 | 145.1 Ų | 145.1 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | trans | -61 | 152 | -174 | -48.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 276 | K | 29.1 | Very low | 26.7 | Very low | 199 Ų | 199 | 139 Ų | 139 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | trans | -57.5 | 134.6 | 170.8 | -63.4 | -177.4 | 175.3 | -172.4 | 0 | 113.5 | ||||
| 277 | S | 26.9 | Very low | 26.7 | Very low | 120 Ų | 120 | 142 Ų | 142 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | trans | -175.2 | 161.1 | 143.4 | -87.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 278 | P | 30.8 | Very low | 26.8 | Very low | 125 Ų | 125 | 150.2 Ų | 150.2 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | -93.3 | 168.7 | -154.2 | 35.7 | -37.9 | 0 | 0 | 0 | 117.4 | ||||
| 279 | L | 27.5 | Very low | 26.9 | Very low | 149 Ų | 149 | 150.1 Ų | 150.1 | 78% | 0.78 | 80% | 0.8 | S | S | * | * | trans | -54.1 | 153.1 | 161.8 | -59.8 | 155.5 | 0 | 0 | 0 | 110.8 | ||||
| 280 | K | 33 | Very low | 27.6 | Very low | 180 Ų | 180 | 147.4 Ų | 147.4 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | cis | -160.2 | 164.2 | -6.1 | -123.9 | 172.5 | -174 | 168.8 | 0 | 106.6 | ||||
| 281 | P | 31.3 | Very low | 27.6 | Very low | 130 Ų | 130 | 147.9 Ų | 147.9 | 84% | 0.844 | 80% | 0.8 | S | S | * | * | -149.7 | -177.8 | 106.9 | 36.8 | -18.2 | 0 | 0 | 0 | 115.9 | |||||
| 282 | H | 26.3 | Very low | 27.7 | Very low | 195 Ų | 195 | 151.7 Ų | 151.7 | 90% | 0.903 | 81% | 0.807 | S | S | * | * | trans | -60.7 | 148.5 | -168.2 | -135.3 | -90.2 | 0 | 0 | 0 | 117.2 | ||||
| 283 | G | 24.4 | Very low | 28 | Very low | 71 Ų | 71 | 150 Ų | 150 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | trans | -167.6 | 153.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 284 | S | 25.4 | Very low | 28.1 | Very low | 106 Ų | 106 | 152.1 Ų | 152.1 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | -136.5 | 152.8 | -168.1 | 64.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 285 | R | 25.8 | Very low | 28.1 | Very low | 225 Ų | 225 | 154.3 Ų | 154.3 | 85% | 0.849 | 79% | 0.794 | S | S | * | * | trans | 65.5 | 157 | 168.7 | -74.6 | 179.7 | 158.7 | 147.2 | 0.3 | 115.8 | ||||
| 286 | D | 25.5 | Very low | 28.2 | Very low | 104 Ų | 104 | 159.5 Ų | 159.5 | 56% | 0.556 | 80% | 0.798 | S | S | * | * | cis | -153.1 | 157.9 | -7.8 | -117.5 | -31.9 | 0 | 0 | 0 | 112 | ||||
| 287 | H | 26.6 | Very low | 28.1 | Very low | 149 Ų | 149 | 153.8 Ų | 153.8 | 69% | 0.69 | 80% | 0.796 | S | S | * | * | trans | 56.5 | 127.4 | 145.8 | -68.2 | -16 | 0 | 0 | 0 | 125.5 | ||||
| 288 | R | 26.3 | Very low | 28.3 | Very low | 237 Ų | 237 | 159.8 Ų | 159.8 | 89% | 0.894 | 80% | 0.8 | S | S | * | * | trans | 97.6 | 118.2 | 138 | -73.2 | 170.7 | -171.1 | -149.3 | 2.5 | 122.8 | ||||
| 289 | Q | 28.6 | Very low | 28.9 | Very low | 185 Ų | 185 | 159.5 Ų | 159.5 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | -75.1 | -179.2 | 150.9 | -76.3 | 176.4 | -58.9 | 0 | 0 | 111.6 | ||||
| 290 | P | 37.9 | Very low | 29.3 | Very low | 116 Ų | 116 | 158.1 Ų | 158.1 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | cis | -133.3 | -174.4 | 7.2 | 40.9 | -22.2 | 0 | 0 | 0 | 116.5 | ||||
| 291 | H | 25.3 | Very low | 29.5 | Very low | 191 Ų | 191 | 155.2 Ų | 155.2 | 88% | 0.884 | 80% | 0.798 | S | S | * | * | trans | -122.6 | 155.2 | 165.1 | -83.8 | -78.3 | 0 | 0 | 0 | 111.3 | ||||
| 292 | E | 27.3 | Very low | 30 | Very low | 178 Ų | 178 | 155 Ų | 155 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -151.7 | 165.7 | 178.8 | -102.3 | -93 | 111.6 | 0 | 0 | 107.8 | ||||
| 293 | P | 35.1 | Very low | 30.3 | Very low | 81 Ų | 81 | 154 Ų | 154 | 53% | 0.526 | 80% | 0.798 | S | S | . | * | -133.5 | -176.3 | -115.2 | 41.9 | -26.1 | 0 | 0 | 0 | 117.8 | |||||
| 294 | H | 25.8 | Very low | 30.5 | Very low | 177 Ų | 177 | 157.9 Ų | 157.9 | 82% | 0.819 | 80% | 0.797 | S | S | * | * | trans | 75.9 | 159.7 | 166.2 | -61.6 | -39.5 | 0 | 0 | 0 | 116.5 | ||||
| 295 | E | 27.1 | Very low | 30.9 | Very low | 189 Ų | 189 | 162.3 Ų | 162.3 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | cis | -133.1 | -164.6 | 23.5 | -104.9 | -150.9 | 135.4 | 0 | 0 | 116.2 | ||||
| 296 | R | 26.9 | Very low | 31 | Very low | 242 Ų | 242 | 157.7 Ų | 157.7 | 91% | 0.913 | 79% | 0.79 | S | S | * | * | trans | -105.5 | 158.2 | -168.6 | -62.2 | 171.8 | 171.3 | 168.7 | -2.8 | 114.4 | ||||
| 297 | G | 26.6 | Very low | 31.3 | Very low | 79 Ų | 79 | 160.7 Ų | 160.7 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | trans | -149.1 | 155.2 | 163.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 298 | R | 31.3 | Very low | 31.5 | Very low | 246 Ų | 246 | 160.3 Ų | 160.3 | 93% | 0.928 | 80% | 0.802 | S | S | * | * | trans | -114.4 | 155.6 | 175.5 | -73.6 | -167.2 | -170.5 | -170.2 | 5.3 | 111.5 | ||||
| 299 | P | 43.2 | Very low | 31.6 | Very low | 119 Ų | 119 | 157.5 Ų | 157.5 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -89.5 | 159 | -178.9 | 36 | -36.6 | 0 | 0 | 0 | 114.8 | ||||
| 300 | P | 35 | Very low | 31.4 | Very low | 120 Ų | 120 | 151.6 Ų | 151.6 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | -91.9 | 174.6 | 165.9 | 37.3 | -33.3 | 0 | 0 | 0 | 113.6 | ||||
| 301 | P | 37.1 | Very low | 32 | Very low | 120 Ų | 120 | 152.3 Ų | 152.3 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | trans | -103.2 | -178.5 | -165 | 41.9 | -36.1 | 0 | 0 | 0 | 115.1 | ||||
| 302 | P | 42 | Very low | 32.8 | Very low | 124 Ų | 124 | 148.9 Ų | 148.9 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | trans | -100.5 | 171.9 | -170 | 39.8 | -35.4 | 0 | 0 | 0 | 115.8 | ||||
| 303 | D | 32.6 | Very low | 33.1 | Very low | 174 Ų | 174 | 148 Ų | 148 | 93% | 0.93 | 79% | 0.787 | S | S | * | * | trans | -109.5 | 173.4 | 176 | -90.9 | -52.2 | 0 | 0 | 0 | 113.8 | ||||
| 304 | E | 29.4 | Very low | 33.2 | Very low | 154 Ų | 154 | 150.1 Ų | 150.1 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | trans | -140.6 | 170.2 | -158.9 | -170.1 | -173.1 | -132.2 | 0 | 0 | 112.8 | ||||
| 305 | R | 33.6 | Very low | 33.3 | Very low | 199 Ų | 199 | 151.1 Ų | 151.1 | 75% | 0.751 | 81% | 0.806 | S | S | * | * | trans | 93.4 | 154.7 | 166.7 | -61.5 | 173.3 | -136.3 | -109.3 | -17.2 | 117.8 | ||||
| 306 | D | 28.8 | Very low | 33.2 | Very low | 128 Ų | 128 | 145.7 Ų | 145.7 | 68% | 0.684 | 80% | 0.8 | S | S | * | * | cis | -146.7 | -179.3 | 3.4 | -131 | -43.6 | 0 | 0 | 0 | 113.4 | ||||
| 307 | H | 30.3 | Very low | 33.2 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -88.8 | 179.8 | -174.4 | -52.5 | -80.3 | 0 | 0 | 0 | 114.4 | ||||
| 308 | L | 30.3 | Very low | 34 | Very low | 141 Ų | 141 | 142.1 Ų | 142.1 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | 178.4 | 173.5 | 52.7 | -128.2 | 164.2 | 0 | 0 | 0 | 112.8 | |||||
| 309 | H | 28.3 | Very low | 34.5 | Very low | 178 Ų | 178 | 135.7 Ų | 135.7 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | 87.6 | 144 | 159.5 | -70.1 | -65.9 | 0 | 0 | 0 | 124.5 | ||||
| 310 | G | 25.3 | Very low | 33.6 | Very low | 61 Ų | 61 | 138 Ų | 138 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | trans | -160.4 | -158.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 311 | P | 49.7 | Very low | 33.3 | Very low | 130 Ų | 130 | 139.2 Ų | 139.2 | 84% | 0.844 | 79% | 0.786 | S | S | * | * | cis | -116.5 | -117.4 | 0.5 | 39.1 | -17.9 | 0 | 0 | 0 | 109.4 | ||||
| 312 | P | 43.4 | Very low | 33.1 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | cis | -122.1 | -150.4 | -5.1 | 44.4 | -26.7 | 0 | 0 | 0 | 113.8 | ||||
| 313 | L | 32.5 | Very low | 32.4 | Very low | 161 Ų | 161 | 141 Ų | 141 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | -146.5 | 166.2 | 178.2 | -81.6 | 152.1 | 0 | 0 | 0 | 110.4 | ||||
| 314 | P | 37.5 | Very low | 32.1 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | trans | -104.6 | 160.9 | 149.3 | 35.5 | -28 | 0 | 0 | 0 | 112.7 | ||||
| 315 | Q | 27.7 | Very low | 31.9 | Very low | 197 Ų | 197 | 136.2 Ų | 136.2 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | trans | -116.8 | 160.2 | -172.4 | -65.4 | 176.4 | -24.9 | 0 | 0 | 113.5 | ||||
| 316 | G | 25.6 | Very low | 31.7 | Very low | 75 Ų | 75 | 132.3 Ų | 132.3 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -163.2 | 143.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 317 | T | 27.7 | Very low | 31.6 | Very low | 135 Ų | 135 | 137.5 Ų | 137.5 | 83% | 0.828 | 80% | 0.796 | S | S | * | * | trans | -121.7 | 144.2 | -157.6 | -55.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 318 | P | 42.4 | Very low | 31.4 | Very low | 111 Ų | 111 | 134.7 Ų | 134.7 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | trans | -90.1 | -172.6 | -176.6 | 40.9 | -39.9 | 0 | 0 | 0 | 112.5 | ||||
| 319 | P | 41.4 | Very low | 31.2 | Very low | 112 Ų | 112 | 136.3 Ų | 136.3 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | -158.3 | -176.3 | 89.7 | 40.7 | -19.5 | 0 | 0 | 0 | 118 | |||||
| 320 | L | 25.9 | Very low | 31.3 | Very low | 168 Ų | 168 | 137 Ų | 137 | 88% | 0.88 | 80% | 0.8 | S | S | * | * | trans | 92.7 | 125.8 | 155.4 | -63 | 173.7 | 0 | 0 | 0 | 121.9 | ||||
| 321 | L | 28.4 | Very low | 31.3 | Very low | 145 Ų | 145 | 138.8 Ų | 138.8 | 76% | 0.759 | 81% | 0.809 | S | S | * | * | trans | -92 | 174.1 | 157 | -69.8 | 163.8 | 0 | 0 | 0 | 109.5 | ||||
| 322 | P | 32.3 | Very low | 30.2 | Very low | 130 Ų | 130 | 138 Ų | 138 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | -133.3 | 154.2 | 93.4 | 37.9 | -30.2 | 0 | 0 | 0 | 114.4 | |||||
| 323 | M | 27.2 | Very low | 29.3 | Very low | 151 Ų | 151 | 142.4 Ų | 142.4 | 74% | 0.744 | 81% | 0.81 | S | S | * | * | trans | -76.7 | 151.4 | 167 | -63.8 | 166.8 | 61.2 | 0 | 0 | 110.9 | ||||
| 324 | S | 25.7 | Very low | 28.9 | Very low | 118 Ų | 118 | 137.5 Ų | 137.5 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | -139.1 | 125.7 | 149.4 | 57.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 325 | C | 25.4 | Very low | 28.5 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | trans | -108.5 | 133 | 175.1 | -62.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 326 | S | 28.8 | Very low | 28.4 | Very low | 117 Ų | 117 | 136 Ų | 136 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -141.5 | 75.2 | 172.1 | 41.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 327 | R | 27.6 | Very low | 28.4 | Very low | 237 Ų | 237 | 135.8 Ų | 135.8 | 89% | 0.894 | 79% | 0.792 | S | S | * | * | trans | -74.6 | 118 | 160.4 | 171 | -161.4 | -73.4 | -176.2 | -4.6 | 108.7 | ||||
| 328 | C | 25 | Very low | 28.3 | Very low | 108 Ų | 108 | 134 Ų | 134 | 73% | 0.73 | 79% | 0.791 | S | S | * | * | trans | -176.7 | 150 | 163.5 | -86.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 329 | H | 28 | Very low | 27.5 | Very low | 175 Ų | 175 | 137.6 Ų | 137.6 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | cis | -158.4 | 157.2 | -28 | -108.1 | -55.1 | 0 | 0 | 0 | 106.9 | ||||
| 330 | H | 28.7 | Very low | 26.7 | Very low | 192 Ų | 192 | 143.9 Ų | 143.9 | 89% | 0.889 | 81% | 0.807 | S | S | * | * | trans | -72.8 | 147.4 | 167 | -74.3 | -88.9 | 0 | 0 | 0 | 111 | ||||
| 331 | A | 25.5 | Very low | 26.7 | Very low | 100 Ų | 100 | 143.1 Ų | 143.1 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | trans | -138.9 | 144.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 332 | T | 27.5 | Very low | 26.9 | Very low | 114 Ų | 114 | 142.2 Ų | 142.2 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | trans | -142.7 | 153.4 | -178.5 | 49.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 333 | F | 25.2 | Very low | 26.6 | Very low | 211 Ų | 211 | 142.6 Ų | 142.6 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | trans | 63.9 | 150.6 | -178.8 | -57.8 | -88.8 | 0 | 0 | 0 | 115.9 | ||||
| 334 | G | 24 | Very low | 26.5 | Very low | 58 Ų | 58 | 142.5 Ų | 142.5 | 60% | 0.598 | 80% | 0.795 | S | S | * | * | cis | 169.9 | 161.7 | -10.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 335 | T | 28.9 | Very low | 26.6 | Very low | 127 Ų | 127 | 142.6 Ų | 142.6 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | 65.9 | 147.9 | 157.2 | 60.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 336 | N | 25.6 | Very low | 26.5 | Very low | 163 Ų | 163 | 145.1 Ų | 145.1 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | trans | 71.9 | 141.2 | 165.9 | -50.6 | -34.4 | 0 | 0 | 0 | 117.9 | ||||
| 337 | G | 24.3 | Very low | 26.5 | Very low | 70 Ų | 70 | 143.7 Ų | 143.7 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | cis | 171.4 | 172.3 | -7.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 338 | A | 25.6 | Very low | 26.5 | Very low | 99 Ų | 99 | 138.6 Ų | 138.6 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | 79.8 | 103.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 339 | Q | 26.7 | Very low | 26.6 | Very low | 185 Ų | 185 | 140.2 Ų | 140.2 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | 19.9 | 132.1 | 136.8 | -61.8 | 173.6 | -34.9 | 0 | 0 | 122.2 | ||||
| 340 | R | 23.4 | Very low | 26.6 | Very low | 244 Ų | 244 | 139.3 Ų | 139.3 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | -172.8 | 148.5 | 101.7 | -102.3 | 176.7 | -178.7 | -174.9 | 0.3 | 114.1 | |||||
| 341 | H | 27.8 | Very low | 26.6 | Very low | 153 Ų | 153 | 137.3 Ų | 137.3 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | trans | -79.4 | 164.8 | 165.3 | -88.1 | -79.4 | 0 | 0 | 0 | 111.7 | ||||
| 342 | P | 31 | Very low | 27 | Very low | 125 Ų | 125 | 138.4 Ų | 138.4 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | -126.9 | 174.2 | 108.5 | 36.7 | -31.6 | 0 | 0 | 0 | 114 | |||||
| 343 | H | 26.3 | Very low | 27 | Very low | 138 Ų | 138 | 140.6 Ų | 140.6 | 64% | 0.639 | 78% | 0.776 | S | S | * | * | trans | -118.1 | 151.1 | -175.9 | -63.3 | -104.7 | 0 | 0 | 0 | 112.8 | ||||
| 344 | N | 24.5 | Very low | 27 | Very low | 150 Ų | 150 | 139.9 Ų | 139.9 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | -174.3 | 135.4 | 128.7 | -93.7 | -21.2 | 0 | 0 | 0 | 107.9 | |||||
| 345 | N | 28.2 | Very low | 27.1 | Very low | 119 Ų | 119 | 145.3 Ų | 145.3 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | cis | 102.4 | 95.7 | 28 | -74.2 | -4.8 | 0 | 0 | 0 | 113.1 | ||||
| 346 | N | 24.6 | Very low | 27.1 | Very low | 162 Ų | 162 | 147.6 Ų | 147.6 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | trans | 163.9 | 155.1 | 130.2 | -91.3 | -2 | 0 | 0 | 0 | 110.8 | ||||
| 347 | S | 27.2 | Very low | 27.1 | Very low | 88 Ų | 88 | 145.5 Ų | 145.5 | 62% | 0.615 | 78% | 0.782 | S | S | * | * | cis | -166.6 | 137.9 | -34.3 | -172.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 348 | S | 28.1 | Very low | 27.3 | Very low | 130 Ų | 130 | 150.1 Ų | 150.1 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | trans | -146 | 128.5 | 163.8 | -73.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 349 | D | 28.5 | Very low | 27.2 | Very low | 141 Ų | 141 | 153 Ų | 153 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | trans | -135.9 | 173 | -159.9 | -154.3 | -11.6 | 0 | 0 | 0 | 112.2 | ||||
| 350 | L | 26.9 | Very low | 27.3 | Very low | 156 Ų | 156 | 153 Ų | 153 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | trans | 77.8 | 88.3 | 173.8 | -53.4 | 177.2 | 0 | 0 | 0 | 117.3 | ||||
| 351 | H | 29.9 | Very low | 27.6 | Very low | 150 Ų | 150 | 148 Ų | 148 | 69% | 0.694 | 77% | 0.767 | S | S | * | * | trans | -94.8 | 163.7 | 143.9 | -134.1 | 84.1 | 0 | 0 | 0 | 109.1 | H353 | H351-H353 AromaticContact CD2-CE1 3.76Å; H351-H353 AromaticContact CD2-ND1 3.72Å | ||
| 352 | P | 33.3 | Very low | 27.9 | Very low | 123 Ų | 123 | 146.5 Ų | 146.5 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | -139.6 | 146.5 | 126.4 | 35 | -22.7 | 0 | 0 | 0 | 114.3 | |||||
| 353 | H | 27.9 | Very low | 27.9 | Very low | 161 Ų | 161 | 147.9 Ų | 147.9 | 75% | 0.745 | 77% | 0.766 | S | S | * | * | trans | -87.1 | 166.9 | -177.2 | -53.9 | -79.3 | 0 | 0 | 0 | 113.6 | H351 | H351-H353 AromaticContact CD2-CE1 3.76Å; H351-H353 AromaticContact CD2-ND1 3.72Å | ||
| 354 | K | 24.2 | Very low | 28.1 | Very low | 195 Ų | 195 | 145 Ų | 145 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | trans | -147.4 | 98.5 | 154.5 | -147.5 | 172.6 | -172.2 | 178.8 | 0 | 114.7 | ||||
| 355 | H | 27 | Very low | 28.3 | Very low | 172 Ų | 172 | 146.7 Ų | 146.7 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | trans | 43.2 | 146.3 | 151.1 | -59.4 | -68.8 | 0 | 0 | 0 | 124 | ||||
| 356 | H | 28.4 | Very low | 28.5 | Very low | 176 Ų | 176 | 149.3 Ų | 149.3 | 82% | 0.815 | 78% | 0.784 | S | S | * | * | trans | -78.2 | 160.8 | 175 | -57.8 | -102.6 | 0 | 0 | 0 | 114.1 | ||||
| 357 | S | 25.3 | Very low | 29 | Very low | 119 Ų | 119 | 146.9 Ų | 146.9 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -149.6 | 131.6 | 136.8 | 55.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 358 | H | 28.9 | Very low | 29.2 | Very low | 167 Ų | 167 | 151.1 Ų | 151.1 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -83.5 | 153.2 | 163.6 | -70 | -103 | 0 | 0 | 0 | 109.2 | ||||
| 359 | E | 23.9 | Very low | 29.3 | Very low | 160 Ų | 160 | 149.8 Ų | 149.8 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | 173.1 | 149 | 110.6 | -95.2 | -173.9 | 165.1 | 0 | 0 | 115.2 | |||||
| 360 | H | 27.6 | Very low | 29.4 | Very low | 185 Ų | 185 | 151.5 Ų | 151.5 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | trans | 51.6 | 134.7 | 153.7 | -57.6 | -44.5 | 0 | 0 | 0 | 125.6 | ||||
| 361 | H | 31 | Very low | 29.6 | Very low | 137 Ų | 137 | 152.7 Ų | 152.7 | 63% | 0.634 | 79% | 0.788 | S | S | * | * | trans | -76.6 | 158.8 | 161.7 | -132.4 | 64.6 | 0 | 0 | 0 | 110.2 | H363 | H361-H363 AromaticContact CD2-CE1 3.35Å; H361-H363 PolarHBondContact CD2-CE1 3.22Å; H361-H363 AromaticContact CD2-ND1 3.5Å; H361-H363 PolarHBondContact CD2-ND1 3.06Å; H361-H363 AromaticContact CD2-NE2 3.76Å; H361-H363 AromaticContact NE2-CE1 3.32Å; H361-H363 PolarHBondContact NE2-CE1 3.48Å; H361-H363 VanDerWaalsContact NE2-CE1 3.32Å; H361-H363 AromaticContact NE2-ND1 3.36Å; H361-H363 PolarHBondContact NE2-ND1 3.31Å | ||
| 362 | P | 33.2 | Very low | 29.9 | Very low | 123 Ų | 123 | 151.3 Ų | 151.3 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | -143.3 | 170.7 | 98.3 | 37.8 | -23.6 | 0 | 0 | 0 | 115.1 | |||||
| 363 | H | 31.4 | Very low | 29.9 | Very low | 154 Ų | 154 | 154.2 Ų | 154.2 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | trans | -76.3 | 145.5 | -174.7 | -55.1 | -73.2 | 0 | 0 | 0 | 114.2 | H361 | H361-H363 AromaticContact CD2-CE1 3.35Å; H361-H363 PolarHBondContact CD2-CE1 3.22Å; H361-H363 AromaticContact CD2-ND1 3.5Å; H361-H363 PolarHBondContact CD2-ND1 3.06Å; H361-H363 AromaticContact CD2-NE2 3.76Å; H361-H363 AromaticContact NE2-CE1 3.32Å; H361-H363 PolarHBondContact NE2-CE1 3.48Å; H361-H363 VanDerWaalsContact NE2-CE1 3.32Å; H361-H363 AromaticContact NE2-ND1 3.36Å; H361-H363 PolarHBondContact NE2-ND1 3.31Å | ||
| 364 | G | 29.8 | Very low | 30 | Very low | 76 Ų | 76 | 156.1 Ų | 156.1 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | -104.7 | 135 | 162.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 365 | H | 29.3 | Very low | 30.3 | Very low | 186 Ų | 186 | 156 Ų | 156 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 145.3 | -175.1 | -74.3 | -90.4 | 0 | 0 | 0 | 113.5 | ||
| 366 | H | 31.4 | Very low | 30.4 | Very low | 175 Ų | 175 | 151.2 Ų | 151.2 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 124.4 | 175.3 | -159.5 | 77.9 | 0 | 0 | 0 | 110 | ||
| 367 | P | 35 | Very low | 30.5 | Very low | 111 Ų | 111 | 149.7 Ų | 149.7 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 129.7 | -176.5 | 30.6 | -33.4 | 0 | 0 | 0 | 112.4 | ||
| 368 | H | 33 | Very low | 30.9 | Very low | 176 Ų | 176 | 153 Ų | 153 | 82% | 0.815 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 141.1 | 172.6 | -74.3 | -89.3 | 0 | 0 | 0 | 111.9 | ||
| 369 | A | 30.3 | Very low | 30.8 | Very low | 103 Ų | 103 | 157.1 Ų | 157.1 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 130.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 370 | H | 30.8 | Very low | 31.1 | Very low | 177 Ų | 177 | 158.5 Ų | 158.5 | 82% | 0.819 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 135 | -178.1 | -73.5 | -84.9 | 0 | 0 | 0 | 112.9 | ||
| 371 | H | 31.1 | Very low | 31.2 | Very low | 181 Ų | 181 | 156.8 Ų | 156.8 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 135 | 165.6 | -103.3 | 22.6 | 0 | 0 | 0 | 111.1 | ||
| 372 | P | 36 | Very low | 31.4 | Very low | 120 Ų | 120 | 155.7 Ų | 155.7 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 117.6 | 175.5 | 32.5 | -31.9 | 0 | 0 | 0 | 112.2 | ||
| 373 | H | 33.4 | Very low | 31.5 | Very low | 184 Ų | 184 | 158 Ų | 158 | 85% | 0.852 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 152.6 | 165 | -78 | -81.4 | 0 | 0 | 0 | 111.6 | ||
| 374 | K | 29.9 | Very low | 31.3 | Very low | 202 Ų | 202 | 153.9 Ų | 153.9 | 88% | 0.878 | 82% | 0.817 | S | S | * | * | trans | -123.1 | 144 | 159.8 | -80.9 | -171.9 | 175.2 | -179.1 | 0 | 110.4 | ||||
| 375 | H | 30.8 | Very low | 31.2 | Very low | 193 Ų | 193 | 159.7 Ų | 159.7 | 89% | 0.894 | 82% | 0.823 | S | S | * | * | trans | -66.2 | 155.5 | 165.5 | -41.4 | -85.1 | 0 | 0 | 0 | 109.8 | ||||
| 376 | G | 28.3 | Very low | 31.4 | Very low | 70 Ų | 70 | 156.9 Ų | 156.9 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | cis | 129.4 | 107.3 | 2.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 377 | T | 30.3 | Very low | 31.6 | Very low | 145 Ų | 145 | 154.5 Ų | 154.5 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | trans | -139.6 | 142.6 | 173.8 | 47.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 378 | H | 32.9 | Very low | 31.8 | Very low | 188 Ų | 188 | 157 Ų | 157 | 87% | 0.87 | 81% | 0.812 | S | S | * | * | trans | -86.1 | 149.7 | -171.1 | -63.2 | -97 | 0 | 0 | 0 | 113.7 | ||||
| 379 | R | 27.4 | Very low | 31.6 | Very low | 253 Ų | 253 | 152 Ų | 152 | 96% | 0.955 | 81% | 0.808 | S | S | * | * | trans | -141.6 | 160.1 | 135.1 | -121.3 | 173.8 | -179 | 170.5 | 0.7 | 110.9 | ||||
| 380 | Q | 29.9 | Very low | 31.5 | Very low | 190 Ų | 190 | 155.9 Ų | 155.9 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | trans | -92.8 | 160.6 | -154.5 | -69.9 | -177.6 | -17.3 | 0 | 0 | 115 | ||||
| 381 | H | 30.6 | Very low | 31.9 | Very low | 148 Ų | 148 | 156 Ų | 156 | 69% | 0.685 | 81% | 0.808 | S | S | * | * | trans | -105.6 | 132.1 | 178.7 | -175.2 | 78 | 0 | 0 | 0 | 110.1 | H383 | H381-H383 AromaticContact CD2-ND1 3.99Š| ||
| 382 | P | 34.9 | Very low | 32.1 | Very low | 114 Ų | 114 | 152.1 Ų | 152.1 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | trans | -95.3 | 138 | 160.3 | -6.2 | 26 | 0 | 0 | 0 | 110.9 | ||||
| 383 | H | 34.2 | Very low | 32 | Very low | 171 Ų | 171 | 154.3 Ų | 154.3 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | trans | -79.2 | 154.6 | 179.8 | -66.5 | -79.6 | 0 | 0 | 0 | 113.2 | H381 | H381-H383 AromaticContact CD2-ND1 3.99Š| ||
| 384 | G | 27.6 | Very low | 31.7 | Very low | 69 Ų | 69 | 149.5 Ų | 149.5 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | -145.2 | 45.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 385 | H | 28.9 | Very low | 31.7 | Very low | 197 Ų | 197 | 149 Ų | 149 | 91% | 0.912 | 80% | 0.799 | S | S | * | * | trans | 62 | 159.3 | 166.4 | -65 | -77.4 | 0 | 0 | 0 | 120.1 | ||||
| 386 | H | 33.3 | Very low | 31.8 | Very low | 128 Ų | 128 | 148.6 Ų | 148.6 | 59% | 0.593 | 80% | 0.798 | S | S | * | * | trans | -143.7 | 146 | -167.5 | 171.9 | 77.4 | 0 | 0 | 0 | 108.5 | H388 | H386-H388 AromaticContact CE1-CD2 3.26Å; H386-H388 PolarHBondContact CE1-CD2 3.1Å; H386-H388 AromaticContact CE1-CE1 3.78Å; H386-H388 AromaticContact CE1-CG 3.31Å; H386-H388 PolarHBondContact CE1-N 3.41Å; H386-H388 VanDerWaalsContact CE1-N 3.32Å; H386-H388 AromaticContact CE1-ND1 3.65Å; H386-H388 AromaticContact CE1-NE2 3.56Å; H386-H388 AromaticContact NE2-CD2 3.15Å; H386-H388 PolarHBondContact NE2-CD2 3.07Å; H386-H388 AromaticContact NE2-CG 3.37Å; H386-H388 PolarHBondContact NE2-N 3.02Å; H386-H388 AromaticContact NE2-NE2 3.88Å | ||
| 387 | P | 36 | Very low | 32 | Very low | 124 Ų | 124 | 150.1 Ų | 150.1 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | -142.5 | 139.4 | 124.9 | 33.5 | -18.6 | 0 | 0 | 0 | 114.6 | |||||
| 388 | H | 38.9 | Very low | 32.1 | Very low | 164 Ų | 164 | 151.3 Ų | 151.3 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | trans | -72.2 | 153.9 | 164.2 | -85.8 | -50.4 | 0 | 0 | 0 | 112.1 | H386 | H386-H388 AromaticContact CE1-CD2 3.26Å; H386-H388 PolarHBondContact CE1-CD2 3.1Å; H386-H388 AromaticContact CE1-CE1 3.78Å; H386-H388 AromaticContact CE1-CG 3.31Å; H386-H388 PolarHBondContact CE1-N 3.41Å; H386-H388 VanDerWaalsContact CE1-N 3.32Å; H386-H388 AromaticContact CE1-ND1 3.65Å; H386-H388 AromaticContact CE1-NE2 3.56Å; H386-H388 AromaticContact NE2-CD2 3.15Å; H386-H388 PolarHBondContact NE2-CD2 3.07Å; H386-H388 AromaticContact NE2-CG 3.37Å; H386-H388 PolarHBondContact NE2-N 3.02Å; H386-H388 AromaticContact NE2-NE2 3.88Å | ||
| 389 | G | 28.2 | Very low | 31.9 | Very low | 71 Ų | 71 | 146.2 Ų | 146.2 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | trans | -140.4 | 80.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 390 | H | 28.9 | Very low | 32 | Very low | 185 Ų | 185 | 142.8 Ų | 142.8 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | trans | 17.8 | 129.7 | 164.2 | -56.3 | -76 | 0 | 0 | 0 | 121.8 | ||||
| 391 | H | 38.5 | Very low | 32 | Very low | 178 Ų | 178 | 141.8 Ų | 141.8 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | -111.5 | 131.9 | 163.5 | -174.4 | 92.3 | 0 | 0 | 0 | 110.2 | ||||
| 392 | P | 35.8 | Very low | 32 | Very low | 101 Ų | 101 | 139.9 Ų | 139.9 | 66% | 0.656 | 78% | 0.778 | S | S | * | * | trans | -131.5 | 122.2 | 163.1 | 33.2 | -17.2 | 0 | 0 | 0 | 114.2 | ||||
| 393 | H | 32.4 | Very low | 31.8 | Very low | 166 Ų | 166 | 142 Ų | 142 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | 24 | 112.8 | 148.5 | -56 | -75.1 | 0 | 0 | 0 | 120 | ||||
| 394 | G | 27.7 | Very low | 31.4 | Very low | 83 Ų | 83 | 137.8 Ų | 137.8 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | trans | -77 | 140.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 395 | H | 29.8 | Very low | 31.4 | Very low | 190 Ų | 190 | 142.4 Ų | 142.4 | 88% | 0.88 | 78% | 0.783 | S | S | * | * | trans | -90.1 | 146.1 | 169.5 | -74.2 | -85.5 | 0 | 0 | 0 | 111.4 | ||||
| 396 | H | 33.4 | Very low | 31.2 | Very low | 185 Ų | 185 | 141 Ų | 141 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | trans | -114.1 | 120.2 | 179.9 | -161.7 | 87.5 | 0 | 0 | 0 | 110.6 | ||||
| 397 | P | 33.3 | Very low | 31 | Very low | 102 Ų | 102 | 140.2 Ų | 140.2 | 66% | 0.662 | 78% | 0.783 | S | S | * | * | trans | -123.4 | 123.4 | 165.6 | 33.9 | -20.6 | 0 | 0 | 0 | 112.9 | ||||
| 398 | H | 31.1 | Very low | 30.7 | Very low | 171 Ų | 171 | 141.8 Ų | 141.8 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | trans | 30.5 | 105.3 | 151.3 | -59 | -75.2 | 0 | 0 | 0 | 119.2 | ||||
| 399 | G | 29 | Very low | 30 | Very low | 80 Ų | 80 | 140.2 Ų | 140.2 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -70.5 | 130.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 400 | H | 29 | Very low | 29.9 | Very low | 181 Ų | 181 | 144.3 Ų | 144.3 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | -91.8 | 139.4 | 153.2 | -74 | -77.4 | 0 | 0 | 0 | 108.7 | P402 | H400-P402 VanDerWaalsContact O-CD 3.3Å; H400-P402 WeakPolarHBondContact O-CD 3.03Å | ||
| 401 | H | 30.4 | Very low | 30 | Very low | 169 Ų | 169 | 141.9 Ų | 141.9 | 78% | 0.782 | 78% | 0.779 | S | S | * | * | trans | -92 | 109.6 | -175.2 | -176.2 | 90.6 | 0 | 0 | 0 | 110.6 | ||||
| 402 | P | 29.9 | Very low | 29.4 | Very low | 109 Ų | 109 | 142.6 Ų | 142.6 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | trans | -83.1 | 140.2 | 170.3 | -1 | 22.2 | 0 | 0 | 0 | 108.9 | H400 G404 | H400-P402 VanDerWaalsContact O-CD 3.3Å; H400-P402 WeakPolarHBondContact O-CD 3.03Å; P402-G404 PolarHBondContact O-N 2.93Å | ||
| 403 | H | 30.9 | Very low | 29.2 | Very low | 159 Ų | 159 | 145.3 Ų | 145.3 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | trans | -59.4 | 136.3 | 178.3 | -65.1 | -82.3 | 0 | 0 | 0 | 111.3 | H405 | H403-H405 PolarHBondContact O-CD2 3.48Å; H403-H405 PolarHBondContact O-N 3.12Å | ||
| 404 | G | 26 | Very low | 29.1 | Very low | 81 Ų | 81 | 144.3 Ų | 144.3 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | trans | -65.2 | 96.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | P402 | P402-G404 PolarHBondContact O-N 2.93Š| ||
| 405 | H | 27.8 | Very low | 29.9 | Very low | 167 Ų | 167 | 148 Ų | 148 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | -68.5 | 130.2 | 165.1 | -77.7 | -87 | 0 | 0 | 0 | 109.3 | H403 | H403-H405 PolarHBondContact O-CD2 3.48Å; H403-H405 PolarHBondContact O-N 3.12Å | ||
| 406 | H | 25.3 | Very low | 31.3 | Very low | 166 Ų | 166 | 140.3 Ų | 140.3 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | trans | -58.1 | 141.2 | 177.3 | -158.3 | 62 | 0 | 0 | 0 | 109.8 | H408 | H406-H408 PolarHBondContact O-N 3.31Š| ||
| 407 | P | 28.3 | Very low | 32.9 | Very low | 113 Ų | 113 | 133.2 Ų | 133.2 | 73% | 0.734 | 72% | 0.716 | S | S | * | * | trans | -58.7 | 115.1 | -177.7 | -24.9 | 34.8 | 0 | 0 | 0 | 111.3 | ||||
| 408 | H | 29.7 | Very low | 34.9 | Very low | 156 Ų | 156 | 130.3 Ų | 130.3 | 72% | 0.722 | 70% | 0.697 | S | S | * | * | trans | -66.3 | 133.4 | 162.8 | -77.6 | -88.8 | 0 | 0 | 0 | 108 | H406 H410 | H406-H408 PolarHBondContact O-N 3.31Å; H408-H410 PolarHBondContact O-N 3.45Å | ||
| 409 | C | 24.2 | Very low | 36.7 | Very low | 132 Ų | 132 | 125.8 Ų | 125.8 | 89% | 0.892 | 68% | 0.679 | S | S | * | * | trans | -63 | 111.7 | 174.9 | -162.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 410 | H | 27.6 | Very low | 37.8 | Very low | 157 Ų | 157 | 126.6 Ų | 126.6 | 73% | 0.727 | 67% | 0.67 | S | S | * | * | trans | -94.5 | 146.2 | 168.5 | -86.3 | -70.7 | 0 | 0 | 0 | 109.3 | H408 F412 | H408-H410 PolarHBondContact O-N 3.45Å; H410-F412 PolarHBondContact O-N 2.87Å | ||
| 411 | D | 29.9 | Very low | 38.2 | Very low | 134 Ų | 134 | 122.6 Ų | 122.6 | 72% | 0.717 | 66% | 0.66 | S | S | * | * | trans | -61.6 | 121.4 | -170.8 | -45.7 | -92.3 | 0 | 0 | 0 | 111.9 | Q413 | D411-Q413 HydrophobicContact CB-CG 4.17Å; D411-Q413 PolarHBondContact O-N 2.7Å | ||
| 412 | F | 25.3 | Very low | 38.5 | Very low | 192 Ų | 192 | 118.9 Ų | 118.9 | 84% | 0.842 | 65% | 0.651 | S | S | * | * | trans | -73.8 | 111.1 | 143.4 | -85.1 | -91.5 | 0 | 0 | 0 | 106.5 | H410 D414 | H410-F412 PolarHBondContact O-N 2.87Å; F412-D414 PolarHBondContact O-N 2.83Å | ||
| 413 | Q | 32.1 | Very low | 38.9 | Very low | 158 Ų | 158 | 122.3 Ų | 122.3 | 74% | 0.738 | 66% | 0.657 | S | S | * | * | trans | -78.8 | 74.1 | 171.1 | -68.6 | -178.7 | -9 | 0 | 0 | 108.7 | D411 Y415 | D411-Q413 HydrophobicContact CB-CG 4.17Å; D411-Q413 PolarHBondContact O-N 2.7Å; Q413-Y415 PolarHBondContact O-N 2.85Å | ||
| 414 | D | 31.3 | Very low | 39.1 | Very low | 145 Ų | 145 | 122.4 Ų | 122.4 | 78% | 0.775 | 66% | 0.663 | S | S | * | * | trans | -61.2 | 116.9 | 160.1 | -78.6 | -35.7 | 0 | 0 | 0 | 107.5 | F412 G416 | F412-D414 PolarHBondContact O-N 2.83Å; D414-G416 PolarHBondContact O-N 2.94Å; D414-G416 VanDerWaalsContact O-N 3.12Å | ||
| 415 | Y | 44.5 | Very low | 39.5 | Very low | 161 Ų | 161 | 126.7 Ų | 126.7 | 63% | 0.631 | 66% | 0.661 | S | S | * | * | trans | -61.4 | 114.5 | 174.7 | -69.5 | -85.1 | 0 | 0 | 0 | 108.6 | Q413 D419 | Q413-Y415 PolarHBondContact O-N 2.85Å; Y415-D419 HydrophobicContact CD1-CB 4.32Å | ||
| 416 | G | 59.1 | Low | 39.6 | Very low | 29 Ų | 29 | 125 Ų | 125 | 30% | 0.299 | 67% | 0.666 | S | S | . | * | trans | -67.4 | 155.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | D414 C418 D419 | D414-G416 PolarHBondContact O-N 2.94Å; D414-G416 VanDerWaalsContact O-N 3.12Å; G416-C418 PolarHBondContact O-N 2.81Å; G416-D419 PolarHBondContact N-OD2 3.44Å; G416-D419 WeakPolarHBondContact O-CB 3.33Å; G416-D419 PolarHBondContact O-N 3.21Å | ||
| 417 | P | 65.9 | Low | 39.8 | Very low | 36 Ų | 36 | 124 Ų | 124 | 23% | 0.234 | 66% | 0.662 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -59.5 | -20.9 | -177.7 | 21.8 | -32.6 | 0 | 0 | 0 | 113.3 | R176 V177 D178 | R176-P417 WeakPolarHBondContact CD-O 3.45Å; R176-P417 PolarHBondContact NH1-O 3.33Å; V177-P417 VanDerWaalsContact O-CB 3.26Å; V177-P417 WeakPolarHBondContact O-CB 3.03Å; D178-P417 WeakPolarHBondContact OD1-CG 3.43Å |
| 418 | C | 76.7 | Confident | 40.1 | Very low | 40 Ų | 40 | 126 Ų | 126 | 27% | 0.27 | 66% | 0.661 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.3 | -9.8 | 174.7 | -63.2 | 0 | 0 | 0 | 0 | 115.5 | R176 C203 G416 | R176-C418 VanDerWaalsContact NH1-C 3.29Å; R176-C418 PolarHBondContact NH1-O 3.46Å; C203-C418 WeakPolarHBondContact CA-SG 3.44Å; C203-C418 HydrophobicContact CB-CB 3.57Å; C203-C418 WeakPolarHBondContact CB-SG 3.28Å; C203-C418 WeakPolarHBondContact SG-CA 3.5Å; C203-C418 WeakPolarHBondContact SG-CB 3.48Å; C203-C418 CovalentContact SG-SG 2.04Å; C203-C418 PolarHBondContact SG-SG 2.89Å; G416-C418 PolarHBondContact O-N 2.81Å |
| 419 | D | 68.1 | Low | 40.1 | Very low | 77 Ų | 77 | 125 Ų | 125 | 41% | 0.412 | 67% | 0.67 | S | S | . | * | S | Bend | trans | -72.2 | 153.8 | -178.3 | -71.5 | -36.9 | 0 | 0 | 0 | 111.9 | R176 Y415 G416 | R176-D419 PolarHBondContact NH1-O 2.78Å; Y415-D419 HydrophobicContact CD1-CB 4.32Å; G416-D419 PolarHBondContact N-OD2 3.44Å; G416-D419 WeakPolarHBondContact O-CB 3.33Å; G416-D419 PolarHBondContact O-N 3.21Å |
| 420 | P | 51.4 | Low | 40.5 | Very low | 97 Ų | 97 | 126.7 Ų | 126.7 | 63% | 0.63 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -71 | 136.7 | 171.2 | 29.8 | -33.2 | 0 | 0 | 0 | 110 | ||
| 421 | P | 38.9 | Very low | 40.7 | Very low | 96 Ų | 96 | 122.8 Ų | 122.8 | 62% | 0.623 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 145.8 | 175 | 26.6 | -34.5 | 0 | 0 | 0 | 110.6 | H423 | P421-H423 PolarHBondContact O-N 3.46Š|
| 422 | P | 35.8 | Very low | 40.8 | Very low | 92 Ų | 92 | 125.3 Ų | 125.3 | 60% | 0.597 | 67% | 0.674 | S | S | * | * | trans | -66.4 | 103.8 | -176.1 | 25.9 | -34.1 | 0 | 0 | 0 | 111.3 | N424 | P422-N424 PolarHBondContact O-N 2.9Š| ||
| 423 | H | 37.3 | Very low | 40.9 | Very low | 180 Ų | 180 | 119.3 Ų | 119.3 | 83% | 0.833 | 67% | 0.666 | S | S | * | * | trans | -67.4 | 117.1 | 174.1 | -88.1 | -31.4 | 0 | 0 | 0 | 111.2 | P421 Q425 | P421-H423 PolarHBondContact O-N 3.46Å; H423-Q425 VanDerWaalsContact C-N 3.27Å; H423-Q425 PolarHBondContact O-N 3.43Å | ||
| 424 | N | 36.6 | Very low | 41 | Very low | 161 Ų | 161 | 117.7 Ų | 117.7 | 86% | 0.861 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -67.6 | 80.9 | 167.3 | -87.7 | -29.9 | 0 | 0 | 0 | 111.1 | P422 | P422-N424 PolarHBondContact O-N 2.9Š|
| 425 | Q | 33.1 | Very low | 41 | Very low | 172 Ų | 172 | 116.5 Ų | 116.5 | 80% | 0.804 | 67% | 0.67 | S | S | * | * | trans | -162.2 | 80.7 | 164 | -115.3 | 152.7 | 99.1 | 0 | 0 | 112.4 | H423 H427 | H423-Q425 VanDerWaalsContact C-N 3.27Å; H423-Q425 PolarHBondContact O-N 3.43Å; Q425-H427 PolarHBondContact O-N 2.03Å; Q425-H427 VanDerWaalsContact O-N 3.13Å | ||
| 426 | C | 30.2 | Very low | 40.6 | Very low | 130 Ų | 130 | 115.3 Ų | 115.3 | 88% | 0.878 | 68% | 0.681 | S | S | * | * | trans | -75.6 | 91.6 | 167 | -71.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 427 | H | 30.8 | Very low | 39 | Very low | 147 Ų | 147 | 117 Ų | 117 | 68% | 0.681 | 70% | 0.698 | S | S | * | * | trans | -139.9 | 109.8 | 164.9 | -85.4 | -70.6 | 0 | 0 | 0 | 113.4 | Q425 | Q425-H427 PolarHBondContact O-N 2.03Å; Q425-H427 VanDerWaalsContact O-N 3.13Å | ||
| 428 | H | 34.4 | Very low | 37.3 | Very low | 153 Ų | 153 | 124.2 Ų | 124.2 | 71% | 0.708 | 73% | 0.729 | S | S | * | * | trans | 57.3 | 92.1 | 155.3 | -46.6 | -61.9 | 0 | 0 | 0 | 119.7 | ||||
| 429 | C | 29.4 | Very low | 35.2 | Very low | 135 Ų | 135 | 130.9 Ų | 130.9 | 91% | 0.912 | 76% | 0.761 | S | S | * | * | trans | -114.4 | 134.3 | 137.3 | -78.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 430 | H | 31.8 | Very low | 33.2 | Very low | 169 Ų | 169 | 138.8 Ų | 138.8 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | trans | -78.9 | 151.6 | 175.5 | -82.2 | 9.2 | 0 | 0 | 0 | 111.6 | ||||
| 431 | G | 32.7 | Very low | 32.2 | Very low | 75 Ų | 75 | 146.5 Ų | 146.5 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | -78.1 | 132.6 | -173 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 432 | H | 30.6 | Very low | 31.7 | Very low | 186 Ų | 186 | 153.5 Ų | 153.5 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | trans | -121.1 | 113.4 | 155.5 | -70 | -66.2 | 0 | 0 | 0 | 108.4 | ||||
| 433 | G | 28.2 | Very low | 31.3 | Very low | 66 Ų | 66 | 151.7 Ų | 151.7 | 68% | 0.68 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 153.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 434 | P | 35.1 | Very low | 31.2 | Very low | 124 Ų | 124 | 150 Ų | 150 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 143.4 | 179.8 | 27.5 | -34.6 | 0 | 0 | 0 | 111.8 | ||
| 435 | P | 30.8 | Very low | 30.7 | Very low | 121 Ų | 121 | 145.6 Ų | 145.6 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 150.3 | -178.2 | 29.8 | -35.4 | 0 | 0 | 0 | 112.7 | ||
| 436 | P | 35 | Very low | 30.6 | Very low | 135 Ų | 135 | 146.7 Ų | 146.7 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -89 | 140 | -176.2 | 34.2 | -34.7 | 0 | 0 | 0 | 114 | ||
| 437 | G | 27.3 | Very low | 30.4 | Very low | 64 Ų | 64 | 148 Ų | 148 | 66% | 0.66 | 81% | 0.807 | S | S | * | * | trans | 132.3 | 137.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 438 | H | 28.2 | Very low | 30.3 | Very low | 189 Ų | 189 | 149.6 Ų | 149.6 | 88% | 0.875 | 81% | 0.814 | S | S | * | * | cis | -138.3 | 149 | 1.7 | -77.1 | -98.7 | 0 | 0 | 0 | 110.9 | R440 | H438-R440 PolarHBondContact O-N 3.13Š| ||
| 439 | L | 33.2 | Very low | 29.9 | Very low | 180 Ų | 180 | 151.5 Ų | 151.5 | 94% | 0.942 | 82% | 0.815 | S | S | * | * | trans | -66.6 | 118.9 | 166 | -80.5 | 82.1 | 0 | 0 | 0 | 110.1 | ||||
| 440 | R | 27.1 | Very low | 29.9 | Very low | 243 Ų | 243 | 149.6 Ų | 149.6 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | trans | -117.3 | 108.2 | 161.8 | -136.6 | 178.2 | -175.7 | -169.3 | 0.3 | 109 | H438 R442 | H438-R440 PolarHBondContact O-N 3.13Å; R440-R442 PolarHBondContact O-N 3.2Å; R440-R442 VanDerWaalsContact O-N 3.11Å | ||
| 441 | R | 30.4 | Very low | 29.7 | Very low | 258 Ų | 258 | 150.7 Ų | 150.7 | 97% | 0.974 | 80% | 0.804 | S | S | * | * | trans | -54.2 | 116.5 | 174.1 | -81.2 | -177 | 168.8 | -169.6 | -2.9 | 109.5 | ||||
| 442 | R | 28.6 | Very low | 29.7 | Very low | 243 Ų | 243 | 155.1 Ų | 155.1 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | trans | -97.5 | 128 | 163 | -175.1 | 174.1 | -80 | -167.9 | -4.1 | 107.3 | R440 | R440-R442 PolarHBondContact O-N 3.2Å; R440-R442 VanDerWaalsContact O-N 3.11Å | ||
| 443 | G | 27.4 | Very low | 29.8 | Very low | 54 Ų | 54 | 151.5 Ų | 151.5 | 56% | 0.557 | 80% | 0.799 | S | S | * | * | trans | -69.5 | 175.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G445 | G443-G445 PolarHBondContact O-N 2.77Š| ||
| 444 | P | 33.8 | Very low | 30.6 | Very low | 144 Ų | 144 | 154.1 Ų | 154.1 | 94% | 0.935 | 79% | 0.788 | S | S | * | * | trans | -66.8 | 89.9 | -178.9 | 28.2 | -34.8 | 0 | 0 | 0 | 111.4 | ||||
| 445 | G | 27.2 | Very low | 31.5 | Very low | 69 Ų | 69 | 155.2 Ų | 155.2 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | trans | -77.1 | 136.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | G443 | G443-G445 PolarHBondContact O-N 2.77Š| ||
| 446 | K | 31 | Very low | 33.2 | Very low | 196 Ų | 196 | 150.5 Ų | 150.5 | 85% | 0.852 | 75% | 0.751 | S | S | * | * | trans | -47.2 | 137.8 | -179.8 | -64.3 | 171.9 | 177.8 | 177.8 | 0 | 112.4 | H448 | K446-H448 PolarHBondContact O-N 3.2Å; K446-H448 VanDerWaalsContact O-N 3.08Å | ||
| 447 | E | 25.1 | Very low | 35.3 | Very low | 158 Ų | 158 | 145 Ų | 145 | 74% | 0.738 | 72% | 0.72 | S | S | * | * | trans | -50.3 | 115.2 | 167.6 | -65.7 | -173.1 | 142.9 | 0 | 0 | 110.4 | R449 | E447-R449 PolarHBondContact O-N 3.49Å; E447-R449 IonicContact OE2-NE 3.65Å | ||
| 448 | H | 28.5 | Very low | 38.1 | Very low | 180 Ų | 180 | 143.9 Ų | 143.9 | 83% | 0.833 | 70% | 0.701 | S | S | * | * | trans | -80.4 | 98.3 | 155.2 | -90 | 58.6 | 0 | 0 | 0 | 107.1 | K446 P450 | K446-H448 PolarHBondContact O-N 3.2Å; K446-H448 VanDerWaalsContact O-N 3.08Å; H448-P450 VanDerWaalsContact O-CD 3.3Å; H448-P450 WeakPolarHBondContact O-CD 3.29Å | ||
| 449 | R | 26.8 | Very low | 41 | Very low | 192 Ų | 192 | 137.2 Ų | 137.2 | 73% | 0.725 | 67% | 0.674 | S | S | * | * | trans | -65.1 | 119.7 | 160.8 | -68 | -173.8 | 177.7 | -158.5 | -3.5 | 107.4 | E447 F451 | E447-R449 PolarHBondContact O-N 3.49Å; E447-R449 IonicContact OE2-NE 3.65Å; R449-F451 PolarHBondContact O-N 3.43Å; R449-F451 VanDerWaalsContact O-N 3.15Å | ||
| 450 | P | 29.1 | Very low | 43.7 | Very low | 96 Ų | 96 | 135.7 Ų | 135.7 | 62% | 0.623 | 66% | 0.657 | S | S | * | * | trans | -66.6 | 116.5 | 173.2 | -15.2 | 30.3 | 0 | 0 | 0 | 108.1 | H448 H452 | H448-P450 VanDerWaalsContact O-CD 3.3Å; H448-P450 WeakPolarHBondContact O-CD 3.29Å; P450-H452 VanDerWaalsContact C-N 3.28Å; P450-H452 PolarHBondContact O-CD2 3.26Å; P450-H452 PolarHBondContact O-N 2.84Å | ||
| 451 | F | 28.9 | Very low | 46.8 | Very low | 192 Ų | 192 | 129 Ų | 129 | 84% | 0.842 | 63% | 0.631 | S | S | * | * | trans | -71.9 | 92.5 | 166.2 | -79 | -87.6 | 0 | 0 | 0 | 107.6 | R449 C453 | R449-F451 PolarHBondContact O-N 3.43Å; R449-F451 VanDerWaalsContact O-N 3.15Å; F451-C453 PolarHBondContact O-N 2.76Å | ||
| 452 | H | 31.2 | Very low | 49.8 | Very low | 168 Ų | 168 | 118.7 Ų | 118.7 | 78% | 0.778 | 60% | 0.596 | S | S | * | * | trans | -68.7 | 84.1 | 169.1 | -66.2 | -83.5 | 0 | 0 | 0 | 108.8 | P450 R454 | P450-H452 VanDerWaalsContact C-N 3.28Å; P450-H452 PolarHBondContact O-CD2 3.26Å; P450-H452 PolarHBondContact O-N 2.84Å; H452-R454 PolarHBondContact O-N 2.88Å | ||
| 453 | C | 33.8 | Very low | 52.9 | Low | 110 Ų | 110 | 111.3 Ų | 111.3 | 74% | 0.743 | 58% | 0.579 | S | S | * | * | trans | -59.3 | 110.5 | 167.8 | -66.9 | 0 | 0 | 0 | 0 | 108.3 | F451 Q455 | F451-C453 PolarHBondContact O-N 2.76Å; C453-Q455 PolarHBondContact O-N 2.92Å | ||
| 454 | R | 45 | Very low | 56 | Low | 120 Ų | 120 | 110.1 Ų | 110.1 | 45% | 0.453 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -54.2 | 131.3 | 172.1 | -168.1 | -166.4 | -172.4 | -156 | 7.4 | 108.1 | D123 H452 P456 | D123-R454 IonicContact OD2-NH1 3.53Å; D123-R454 PolarHBondContact OD2-NH1 2.84Å; H452-R454 PolarHBondContact O-N 2.88Å; R454-P456 VanDerWaalsContact O-CD 3.26Å; R454-P456 WeakPolarHBondContact O-CD 3.36Å |
| 455 | Q | 53.8 | Low | 58.9 | Low | 148 Ų | 148 | 104 Ų | 104 | 69% | 0.692 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -60 | 118.2 | 164.2 | -71.7 | -75.5 | 2.4 | 0 | 0 | 107.2 | C453 | C453-Q455 PolarHBondContact O-N 2.92Š|
| 456 | P | 66.3 | Low | 61.9 | Low | 21 Ų | 21 | 109.3 Ų | 109.3 | 14% | 0.136 | 52% | 0.52 | C | S | . | . | S | Bend | trans | -84.4 | 120.8 | -176.5 | 30.7 | -29.8 | 0 | 0 | 0 | 109.8 | R41 I122 F259 R454 | R41-P456 WeakPolarHBondContact CD-O 3.4Å; R41-P456 PolarHBondContact NH1-O 2.84Å; I122-P456 WeakPolarHBondContact O-CB 3.34Å; F259-P456 HydrophobicContact CE1-CG 4.31Å; F259-P456 HydrophobicContact CE2-CG 4.03Å; F259-P456 HydrophobicContact CZ-CG 3.54Å; R454-P456 VanDerWaalsContact O-CD 3.26Å; R454-P456 WeakPolarHBondContact O-CD 3.36Å |
| 457 | G | 79.5 | Confident | 64.6 | Low | 20 Ų | 20 | 108.5 Ų | 108.5 | 21% | 0.206 | 52% | 0.517 | C | S | . | . | trans | 113.9 | 129.9 | -165.9 | 0 | 0 | 0 | 0 | 0 | 113 | D123 F124 | D123-G457 PolarHBondContact OD1-N 2.77Å; F124-G457 VanDerWaalsContact CD1-CA 3.46Å; F124-G457 VanDerWaalsContact CZ-CA 3.49Å; F124-G457 CarbonylContact O-C 3.55Å; F124-G457 VanDerWaalsContact O-CA 3.28Å; F124-G457 WeakPolarHBondContact O-CA 3.43Å | ||
| 458 | S | 84.4 | Confident | 67.6 | Low | 40 Ų | 40 | 104.6 Ų | 104.6 | 28% | 0.28 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 143.5 | 167.9 | 44.1 | 0 | 0 | 0 | 0 | 111.7 | F124 N125 C126 | F124-S458 PolarHBondContact O-N 3.49Å; N125-S458 WeakPolarHBondContact CA-O 3.38Å; N125-S458 PolarHBondContact OD1-OG 2.69Å; C126-S458 PolarHBondContact N-O 2.84Å |
| 459 | V | 89.5 | Confident | 70.6 | Confident | 49 Ų | 49 | 100.1 Ų | 100.1 | 30% | 0.297 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 132.9 | 167.9 | -174.4 | 0 | 0 | 0 | 0 | 107.6 | R42 F48 F124 C126 T128 | R42-V459 HydrophobicContact CG-CG2 4.49Å; F48-V459 HydrophobicContact CE2-CG2 4.34Å; F48-V459 HydrophobicContact CZ-CG1 4.05Å; F48-V459 HydrophobicContact CZ-CG2 4.33Å; F124-V459 HydrophobicContact CE2-CG2 4Å; C126-V459 HydrophobicContact CB-CG1 4.32Å; C126-V459 HydrophobicContact CB-CG2 4.24Å; C126-V459 CarbonylContact O-C 3.56Å; C126-V459 WeakPolarHBondContact O-CA 3.5Å; T128-V459 HydrophobicContact CG2-CG1 4.05Å |
| 460 | Y | 91.1 | Very high | 73.8 | Confident | 148 Ų | 148 | 94.6 Ų | 94.6 | 58% | 0.58 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 108.2 | -179.4 | -175.7 | -108.4 | 0 | 0 | 0 | 110.2 | C126 T127 T128 L462 | C126-Y460 PolarHBondContact O-N 3.37Å; T127-Y460 CarbonylContact C-O 3.49Å; T127-Y460 WeakPolarHBondContact CA-O 3.46Å; T128-Y460 PolarHBondContact N-O 3.36Å; Y460-L462 HydrophobicContact CD1-CD2 4.33Å; Y460-L462 HydrophobicContact CD1-CG 4.32Å; Y460-L462 HydrophobicContact CE1-CD2 3.66Å; Y460-L462 HydrophobicContact CE1-CG 4.13Å |
| 461 | R | 91.5 | Very high | 76.8 | Confident | 103 Ų | 103 | 90 Ų | 90 | 39% | 0.389 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 120.4 | 178.3 | -173.5 | 168.5 | 172.2 | 144.7 | -1.3 | 109.9 | E99 T128 | E99-R461 IonicContact OE1-CZ 2.72Å; E99-R461 IonicContact OE1-NH2 2.64Å; E99-R461 PolarHBondContact OE1-NH2 2.83Å; T128-R461 WeakPolarHBondContact O-CA 3.19Å; T128-R461 WeakPolarHBondContact OG1-CA 3.35Å |
| 462 | L | 93.5 | Very high | 79.7 | Confident | 42 Ų | 42 | 84.2 Ų | 84.2 | 22% | 0.22 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -84.5 | 162.3 | 171 | -74.8 | 168.2 | 0 | 0 | 0 | 111 | T127 T128 Y460 L471 P472 | T127-L462 HydrophobicContact CG2-CD1 3.5Å; T127-L462 HydrophobicContact CG2-CG 4.05Å; T128-L462 PolarHBondContact O-N 2.95Å; Y460-L462 HydrophobicContact CD1-CD2 4.33Å; Y460-L462 HydrophobicContact CD1-CG 4.32Å; Y460-L462 HydrophobicContact CE1-CD2 3.66Å; Y460-L462 HydrophobicContact CE1-CG 4.13Å; L462-L471 HydrophobicContact CD1-CD1 4.07Å; L462-P472 HydrophobicContact CD1-CG 3.6Å |
| 463 | P | 93.6 | Very high | 82.4 | Confident | 88 Ų | 88 | 79.2 Ų | 79.2 | 57% | 0.571 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 154.8 | 163.1 | -20.9 | 33.4 | 0 | 0 | 0 | 111.8 | S129 | S129-P463 PolarHBondContact OG-O 3.45Š|
| 464 | S | 93.4 | Very high | 84.9 | Confident | 29 Ų | 29 | 74.1 Ų | 74.1 | 20% | 0.203 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 132.1 | -173.3 | -52.2 | 0 | 0 | 0 | 0 | 112.6 | S129 S130 E149 | S129-S464 WeakPolarHBondContact OG-CA 3.42Å; S130-S464 CarbonylContact O-C 3.54Å; S130-S464 VanDerWaalsContact O-CA 3.3Å; S130-S464 WeakPolarHBondContact O-CA 3.29Å; E149-S464 WeakPolarHBondContact OE1-CB 3.09Å; E149-S464 PolarHBondContact OE1-N 2.93Å; E149-S464 PolarHBondContact OE1-OG 2.78Å |
| 465 | L | 93.3 | Very high | 86.6 | Confident | 15 Ų | 15 | 74.5 Ų | 74.5 | 8% | 0.079 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 136.8 | 178.6 | -66.2 | 173.4 | 0 | 0 | 0 | 110.6 | I102 S129 S130 V131 A134 E469 L471 F519 | I102-L465 HydrophobicContact CD1-CD1 4.47Å; S129-L465 PolarHBondContact OG-N 3.17Å; S130-L465 PolarHBondContact O-N 3.3Å; V131-L465 HydrophobicContact CG1-CB 4.2Å; V131-L465 HydrophobicContact CG1-CD1 4.11Å; A134-L465 WeakPolarHBondContact CB-O 3.47Å; L465-E469 HydrophobicContact CB-CB 4.38Å; L465-E469 HydrophobicContact CD2-CB 4.01Å; L465-L471 HydrophobicContact CD1-CB 4Å; L465-L471 HydrophobicContact CD1-CD1 4.08Å; L465-F519 HydrophobicContact CB-CD1 3.98Å; L465-F519 HydrophobicContact CB-CE1 4.35Å; L465-F519 HydrophobicContact CD1-CB 4.12Å; L465-F519 HydrophobicContact CD1-CD1 4.12Å |
| 466 | R | 91.3 | Very high | 87.3 | Confident | 181 Ų | 181 | 69.2 Ų | 69.2 | 68% | 0.683 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -87.2 | 162.7 | 172.6 | -53.7 | 177.2 | 176.8 | -179.3 | -2.6 | 110.5 | G468 E469 | R466-G468 PolarHBondContact O-N 3.12Å; R466-E469 HydrophobicContact CB-CG 4.18Å; R466-E469 WeakPolarHBondContact CB-OE2 3.26Å; R466-E469 WeakPolarHBondContact CD-OE1 3.42Å; R466-E469 WeakPolarHBondContact CG-OE2 3.48Å; R466-E469 PolarHBondContact N-OE2 2.91Å; R466-E469 WeakPolarHBondContact O-CB 3.44Å; R466-E469 PolarHBondContact O-N 3.28Å |
| 467 | K | 87.6 | Confident | 87.4 | Confident | 179 Ų | 179 | 73.6 Ų | 73.6 | 78% | 0.778 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 112.5 | -179.8 | -175 | 167.8 | -172.9 | 158.8 | 0 | 111.5 | A134 | A134-K467 HydrophobicContact CB-CB 4.34Š|
| 468 | G | 86.8 | Confident | 86.8 | Confident | 76 Ų | 76 | 74.2 Ų | 74.2 | 78% | 0.784 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.2 | -3.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | R466 | R466-G468 PolarHBondContact O-N 3.12Š|
| 469 | E | 92.8 | Very high | 85.4 | Confident | 85 Ų | 85 | 74.5 Ų | 74.5 | 40% | 0.397 | 39% | 0.391 | S | S | . | . | trans | -85.6 | 156 | 164.8 | -62.8 | 171.7 | 178.5 | 0 | 0 | 109.9 | L465 R466 F519 | L465-E469 HydrophobicContact CB-CB 4.38Å; L465-E469 HydrophobicContact CD2-CB 4.01Å; R466-E469 HydrophobicContact CB-CG 4.18Å; R466-E469 WeakPolarHBondContact CB-OE2 3.26Å; R466-E469 WeakPolarHBondContact CD-OE1 3.42Å; R466-E469 WeakPolarHBondContact CG-OE2 3.48Å; R466-E469 PolarHBondContact N-OE2 2.91Å; R466-E469 WeakPolarHBondContact O-CB 3.44Å; R466-E469 PolarHBondContact O-N 3.28Å; E469-F519 WeakPolarHBondContact O-CD1 3.46Å | ||
| 470 | V | 93.1 | Very high | 83.4 | Confident | 77 Ų | 77 | 77 Ų | 77 | 47% | 0.467 | 41% | 0.41 | S | S | . | . | trans | -129.5 | 147.4 | -179.3 | -63 | 0 | 0 | 0 | 0 | 110.6 | T521 | V470-T521 WeakPolarHBondContact CG2-OG1 3.49Š| ||
| 471 | L | 92.8 | Very high | 81.1 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 41% | 0.408 | C | S | . | . | B | Isolated β-bridge | trans | -67.9 | 129.5 | 177.2 | -160.5 | 74.1 | 0 | 0 | 0 | 109.5 | Q104 T127 S129 L462 L465 F519 L520 T521 | Q104-L471 HydrophobicContact CB-CD2 4.29Å; Q104-L471 HydrophobicContact CG-CD2 4.07Å; T127-L471 HydrophobicContact CG2-CD1 4.34Å; T127-L471 HydrophobicContact CG2-CG 4.39Å; S129-L471 VanDerWaalsContact CB-CD1 3.47Å; L462-L471 HydrophobicContact CD1-CD1 4.07Å; L465-L471 HydrophobicContact CD1-CB 4Å; L465-L471 HydrophobicContact CD1-CD1 4.08Å; L471-F519 WeakPolarHBondContact CB-O 3.49Å; L471-F519 PolarHBondContact N-O 3.32Å; L471-L520 HydrophobicContact CD2-CD2 4.5Å; L471-T521 WeakPolarHBondContact O-CB 3.36Å; L471-T521 PolarHBondContact O-OG1 2.9Å |
| 472 | P | 90.3 | Very high | 78.5 | Confident | 69 Ų | 69 | 75.8 Ų | 75.8 | 45% | 0.448 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 142.9 | 173.7 | 30 | -34 | 0 | 0 | 0 | 110.5 | T127 L462 | T127-P472 HydrophobicContact CG2-CG 4.47Å; L462-P472 HydrophobicContact CD1-CG 3.6Å |
| 473 | L | 87.3 | Confident | 75.9 | Confident | 64 Ų | 64 | 77.5 Ų | 77.5 | 34% | 0.335 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 137.1 | 175 | -73.7 | 167.8 | 0 | 0 | 0 | 110.8 | T521 | L473-T521 WeakPolarHBondContact CD2-O 3.44Å; L473-T521 HydrophobicContact CG-CG2 4.48Å |
| 474 | P | 86.9 | Confident | 73.1 | Confident | 3 Ų | 3 | 77.3 Ų | 77.3 | 2% | 0.019 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 149.2 | 179.8 | 28.4 | -38.5 | 0 | 0 | 0 | 111.8 | Q104 K106 N125 A476 | Q104-P474 WeakPolarHBondContact O-CG 3.37Å; K106-P474 HydrophobicContact CB-CG 4.33Å; K106-P474 HydrophobicContact CD-CG 4.11Å; K106-P474 WeakPolarHBondContact CE-O 3.35Å; K106-P474 HydrophobicContact CG-CG 3.93Å; K106-P474 PolarHBondContact NZ-O 3.13Å; N125-P474 WeakPolarHBondContact O-CB 3.5Å; P474-A476 PolarHBondContact O-N 2.78Å |
| 475 | E | 79.3 | Confident | 70.2 | Confident | 127 Ų | 127 | 84.4 Ų | 84.4 | 59% | 0.593 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 133.3 | 175.3 | -67.4 | -167.2 | 169.1 | 0 | 0 | 111.5 | N125 N477 | N125-E475 PolarHBondContact ND2-O 2.97Å; E475-N477 HydrophobicContact CB-CB 4.36Å; E475-N477 PolarHBondContact O-N 2.75Å; E475-N477 PolarHBondContact OE2-ND2 2.95Å |
| 476 | A | 70 | Confident | 67.3 | Low | 38 Ų | 38 | 89 Ų | 89 | 31% | 0.314 | 48% | 0.48 | S | S | . | . | trans | -87 | 24.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K106 P474 F478 F497 | K106-A476 HydrophobicContact CD-CB 4.02Å; P474-A476 PolarHBondContact O-N 2.78Å; A476-F478 WeakPolarHBondContact O-CD2 3.47Å; A476-F478 PolarHBondContact O-N 2.96Å; A476-F497 HydrophobicContact CB-CB 3.76Å; A476-F497 HydrophobicContact CB-CG 4.42Å | ||
| 477 | N | 67.3 | Low | 64.6 | Low | 113 Ų | 113 | 89.6 Ų | 89.6 | 60% | 0.604 | 49% | 0.487 | S | S | * | . | trans | -78.7 | 58 | -173.6 | -72.8 | -31.1 | 0 | 0 | 0 | 111.9 | E475 P479 | E475-N477 HydrophobicContact CB-CB 4.36Å; E475-N477 PolarHBondContact O-N 2.75Å; E475-N477 PolarHBondContact OE2-ND2 2.95Å; N477-P479 WeakPolarHBondContact O-CD 3.41Å | ||
| 478 | F | 67.4 | Low | 62.1 | Low | 32 Ų | 32 | 89.4 Ų | 89.4 | 14% | 0.14 | 49% | 0.489 | C | S | . | . | trans | -78.1 | 117.3 | 173.2 | -61.8 | -67.2 | 0 | 0 | 0 | 109.5 | K106 I108 D123 N125 A476 S480 F497 | K106-F478 HydrophobicContact CB-CE2 3.88Å; K106-F478 HydrophobicContact CB-CZ 3.85Å; I108-F478 HydrophobicContact CD1-CB 3.77Å; I108-F478 HydrophobicContact CD1-CD1 4.29Å; I108-F478 HydrophobicContact CD1-CD2 3.61Å; I108-F478 HydrophobicContact CD1-CE2 4.3Å; I108-F478 HydrophobicContact CD1-CG 3.6Å; I108-F478 HydrophobicContact CG1-CD2 4.08Å; I108-F478 HydrophobicContact CG1-CE2 4.28Å; I108-F478 HydrophobicContact CG1-CG 4.26Å; D123-F478 HydrophobicContact CB-CD1 3.87Å; D123-F478 HydrophobicContact CB-CE1 4.24Å; N125-F478 HydrophobicContact CB-CE1 4.13Å; N125-F478 HydrophobicContact CB-CZ 4.03Å; A476-F478 WeakPolarHBondContact O-CD2 3.47Å; A476-F478 PolarHBondContact O-N 2.96Å; F478-S480 PolarHBondContact O-N 2.75Å; F478-F497 HydrophobicContact CD2-CD2 4.38Å; F478-F497 AromaticContact CE2-CD2 3.93Å; F478-F497 HydrophobicContact CE2-CD2 3.93Å | ||
| 479 | P | 54.5 | Low | 60.2 | Low | 47 Ų | 47 | 91.1 Ų | 91.1 | 31% | 0.305 | 49% | 0.486 | S | S | . | . | trans | -66.2 | 124.2 | 177.8 | 26.4 | -33.9 | 0 | 0 | 0 | 110.6 | N477 F481 | N477-P479 WeakPolarHBondContact O-CD 3.41Å; P479-F481 HydrophobicContact CB-CD1 4.29Å; P479-F481 HydrophobicContact CB-CD2 4.07Å; P479-F481 HydrophobicContact CB-CE1 3.96Å; P479-F481 HydrophobicContact CB-CE2 3.75Å; P479-F481 HydrophobicContact CB-CG 4.33Å; P479-F481 HydrophobicContact CB-CZ 3.68Å; P479-F481 HydrophobicContact CG-CD2 3.74Å; P479-F481 HydrophobicContact CG-CE1 4.35Å; P479-F481 HydrophobicContact CG-CE2 3.24Å; P479-F481 HydrophobicContact CG-CG 4.48Å; P479-F481 HydrophobicContact CG-CZ 3.59Å; P479-F481 PolarHBondContact O-N 2.92Å | ||
| 480 | S | 48.3 | Very low | 57.8 | Low | 101 Ų | 101 | 93 Ų | 93 | 71% | 0.706 | 50% | 0.498 | S | S | * | . | trans | -69.9 | 75 | 175.4 | 46.8 | 0 | 0 | 0 | 0 | 111.3 | F478 P482 | F478-S480 PolarHBondContact O-N 2.75Å; S480-P482 WeakPolarHBondContact O-CD 3.22Å | ||
| 481 | F | 41.6 | Very low | 55.6 | Low | 121 Ų | 121 | 93.9 Ų | 93.9 | 53% | 0.531 | 50% | 0.496 | S | S | . | . | trans | -82.6 | 124.2 | -179.3 | -70.3 | -48.6 | 0 | 0 | 0 | 112.1 | P479 L483 | P479-F481 HydrophobicContact CB-CD1 4.29Å; P479-F481 HydrophobicContact CB-CD2 4.07Å; P479-F481 HydrophobicContact CB-CE1 3.96Å; P479-F481 HydrophobicContact CB-CE2 3.75Å; P479-F481 HydrophobicContact CB-CG 4.33Å; P479-F481 HydrophobicContact CB-CZ 3.68Å; P479-F481 HydrophobicContact CG-CD2 3.74Å; P479-F481 HydrophobicContact CG-CE1 4.35Å; P479-F481 HydrophobicContact CG-CE2 3.24Å; P479-F481 HydrophobicContact CG-CG 4.48Å; P479-F481 HydrophobicContact CG-CZ 3.59Å; P479-F481 PolarHBondContact O-N 2.92Å; F481-L483 VanDerWaalsContact C-N 3.34Å; F481-L483 PolarHBondContact O-N 3Å | ||
| 482 | P | 37.5 | Very low | 53.6 | Low | 105 Ų | 105 | 95.3 Ų | 95.3 | 68% | 0.682 | 51% | 0.505 | S | S | * | . | trans | -66.6 | 96.7 | 159.5 | 28.2 | -32.3 | 0 | 0 | 0 | 108.6 | S480 | S480-P482 WeakPolarHBondContact O-CD 3.22Š| ||
| 483 | L | 38.9 | Very low | 52.2 | Low | 78 Ų | 78 | 98.1 Ų | 98.1 | 41% | 0.408 | 52% | 0.517 | S | S | . | . | trans | -50.3 | 139.6 | 179.1 | -73.6 | 166.7 | 0 | 0 | 0 | 110.5 | F481 H485 K491 | F481-L483 VanDerWaalsContact C-N 3.34Å; F481-L483 PolarHBondContact O-N 3Å; L483-H485 PolarHBondContact O-N 2.74Å; L483-K491 VanDerWaalsContact C-NZ 3.29Å; L483-K491 HydrophobicContact CB-CD 4.11Å; L483-K491 PolarHBondContact O-NZ 3.07Å | ||
| 484 | P | 34.9 | Very low | 51.2 | Low | 84 Ų | 84 | 96.8 Ų | 96.8 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | trans | -43.9 | 133.7 | -168.6 | -33.1 | 35.1 | 0 | 0 | 0 | 115.7 | H486 K491 | P484-H486 PolarHBondContact O-N 3.25Å; P484-K491 PolarHBondContact O-NZ 3.16Å | ||
| 485 | H | 31.2 | Very low | 50.4 | Low | 177 Ų | 177 | 99.1 Ų | 99.1 | 82% | 0.819 | 52% | 0.52 | S | S | * | . | trans | -68.8 | 86.9 | -175.6 | -72.1 | -65.8 | 0 | 0 | 0 | 113 | L483 | L483-H485 PolarHBondContact O-N 2.74Š| ||
| 486 | H | 33.7 | Very low | 50.1 | Low | 111 Ų | 111 | 98.2 Ų | 98.2 | 51% | 0.514 | 53% | 0.525 | S | S | . | . | trans | -80.3 | 146.7 | 150.3 | -63.7 | -53.9 | 0 | 0 | 0 | 109.1 | H258 P484 H488 | H258-H486 AromaticContact CE1-CE1 3.48Å; H258-H486 PolarHBondContact CE1-CE1 2.81Å; H258-H486 VanDerWaalsContact CE1-CE1 3.48Å; H258-H486 AromaticContact CE1-NE2 3.08Å; H258-H486 PolarHBondContact CE1-NE2 2.74Å; H258-H486 AromaticContact NE2-CD2 3.15Å; H258-H486 PolarHBondContact NE2-CD2 3.45Å; H258-H486 AromaticContact NE2-CE1 3.87Å; H258-H486 AromaticContact NE2-NE2 2.69Å; H258-H486 PolarHBondContact NE2-NE2 3.13Å; P484-H486 PolarHBondContact O-N 3.25Å; H486-H488 PolarHBondContact O-N 3.22Å | ||
| 487 | K | 34.9 | Very low | 50.3 | Low | 194 Ų | 194 | 97.1 Ų | 97.1 | 84% | 0.843 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -84.9 | 100 | -163.9 | -70.7 | -174.5 | 176.1 | -177.6 | 0 | 112.9 | ||
| 488 | H | 34.8 | Very low | 50.6 | Low | 176 Ų | 176 | 93 Ų | 93 | 82% | 0.815 | 49% | 0.493 | S | S | * | . | trans | 71.7 | 155.8 | 169.8 | -49.4 | -79.6 | 0 | 0 | 0 | 116.7 | H486 | H486-H488 PolarHBondContact O-N 3.22Š| ||
| 489 | P | 47.3 | Very low | 50.7 | Low | 112 Ų | 112 | 100.6 Ų | 100.6 | 73% | 0.727 | 53% | 0.529 | S | S | * | . | S | Bend | cis | -96.1 | -173.8 | -15.4 | 37.8 | -30.7 | 0 | 0 | 0 | 112.5 | ||
| 490 | L | 42.4 | Very low | 51.4 | Low | 124 Ų | 124 | 101.8 Ų | 101.8 | 65% | 0.649 | 54% | 0.538 | S | S | * | . | trans | -12.1 | 115.9 | 172 | -63.7 | 161.8 | 0 | 0 | 0 | 116.6 | E62 | E62-L490 WeakPolarHBondContact OE1-CD1 3.48Å; E62-L490 WeakPolarHBondContact OE2-CD1 3.27Å | ||
| 491 | K | 45.8 | Very low | 52.7 | Low | 96 Ų | 96 | 97.5 Ų | 97.5 | 42% | 0.417 | 51% | 0.509 | S | S | . | . | trans | -95.5 | 147.1 | 160.6 | -61.8 | -175.7 | -172.6 | 179.1 | 0 | 108.7 | L483 P484 D493 | L483-K491 VanDerWaalsContact C-NZ 3.29Å; L483-K491 HydrophobicContact CB-CD 4.11Å; L483-K491 PolarHBondContact O-NZ 3.07Å; P484-K491 PolarHBondContact O-NZ 3.16Å; K491-D493 PolarHBondContact O-N 3.23Å | ||
| 492 | P | 52.2 | Low | 54.4 | Low | 30 Ų | 30 | 91.8 Ų | 91.8 | 20% | 0.195 | 48% | 0.484 | C | S | . | . | trans | -63.5 | 130.2 | 167.3 | 27.2 | -33.6 | 0 | 0 | 0 | 110.2 | V61 V66 I494 | V61-P492 HydrophobicContact CB-CB 3.99Å; V61-P492 HydrophobicContact CG1-CB 4.26Å; V61-P492 HydrophobicContact CG2-CB 3.77Å; V66-P492 HydrophobicContact CG2-CB 3.65Å; V66-P492 HydrophobicContact CG2-CG 3.73Å; P492-I494 PolarHBondContact O-N 2.91Å | ||
| 493 | D | 59.5 | Low | 56.2 | Low | 128 Ų | 128 | 95.4 Ų | 95.4 | 68% | 0.684 | 49% | 0.492 | S | S | * | . | trans | -74.4 | 110.6 | 165.9 | -87.1 | -34.8 | 0 | 0 | 0 | 108.2 | K491 Q495 | K491-D493 PolarHBondContact O-N 3.23Å; D493-Q495 PolarHBondContact O-N 2.94Å; D493-Q495 VanDerWaalsContact O-N 3.15Å; D493-Q495 PolarHBondContact O-NE2 3.38Å | ||
| 494 | I | 67.3 | Low | 58.2 | Low | 35 Ų | 35 | 94.4 Ų | 94.4 | 18% | 0.179 | 49% | 0.491 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 116.4 | -175.1 | -56.8 | 172.9 | 0 | 0 | 0 | 109.3 | Y68 I108 I122 P492 | Y68-I494 HydrophobicContact CE1-CG2 4.23Å; I108-I494 HydrophobicContact CD1-CG2 3.81Å; I108-I494 HydrophobicContact CG2-CG2 4.04Å; I122-I494 HydrophobicContact CD1-CD1 3.82Å; I122-I494 HydrophobicContact CG2-CD1 4.12Å; P492-I494 PolarHBondContact O-N 2.91Å |
| 495 | Q | 70.4 | Confident | 60.7 | Low | 52 Ų | 52 | 91.1 Ų | 91.1 | 24% | 0.243 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 157.2 | 178.8 | -60.4 | -55 | -52.6 | 0 | 0 | 111.2 | C17 V19 Y68 D493 | C17-Q495 HydrophobicContact CB-CG 4.3Å; V19-Q495 HydrophobicContact CG2-CB 3.83Å; V19-Q495 HydrophobicContact CG2-CG 4.08Å; Y68-Q495 WeakPolarHBondContact CE1-O 3.48Å; Y68-Q495 PolarHBondContact OH-N 3.27Å; D493-Q495 PolarHBondContact O-N 2.94Å; D493-Q495 VanDerWaalsContact O-N 3.15Å; D493-Q495 PolarHBondContact O-NE2 3.38Å |
| 496 | P | 71.2 | Confident | 63.4 | Low | 109 Ų | 109 | 85.3 Ų | 85.3 | 71% | 0.708 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -56 | 144.2 | 166.1 | -22.1 | 33.9 | 0 | 0 | 0 | 111 | ||
| 497 | F | 75.3 | Confident | 65.9 | Low | 15 Ų | 15 | 80.6 Ų | 80.6 | 7% | 0.066 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 131.2 | 178.4 | -155.5 | -77.6 | 0 | 0 | 0 | 110.4 | Y68 A70 K106 I108 A476 F478 | Y68-F497 HydrophobicContact CD1-CD2 4.21Å; A70-F497 HydrophobicContact CB-CZ 4.42Å; K106-F497 HydrophobicContact CB-CD2 4.25Å; K106-F497 HydrophobicContact CB-CE2 3.86Å; K106-F497 HydrophobicContact CB-CZ 4.21Å; K106-F497 HydrophobicContact CD-CD1 4.26Å; K106-F497 HydrophobicContact CD-CE1 4.28Å; K106-F497 HydrophobicContact CD-CG 4.38Å; K106-F497 HydrophobicContact CD-CZ 4.42Å; K106-F497 HydrophobicContact CG-CD2 4.45Å; K106-F497 HydrophobicContact CG-CE1 4.17Å; K106-F497 HydrophobicContact CG-CE2 4.02Å; K106-F497 HydrophobicContact CG-CZ 3.88Å; I108-F497 HydrophobicContact CG1-CD2 4.43Å; A476-F497 HydrophobicContact CB-CB 3.76Å; A476-F497 HydrophobicContact CB-CG 4.42Å; F478-F497 HydrophobicContact CD2-CD2 4.38Å; F478-F497 AromaticContact CE2-CD2 3.93Å; F478-F497 HydrophobicContact CE2-CD2 3.93Å |
| 498 | P | 73.3 | Confident | 68.5 | Low | 26 Ų | 26 | 79.5 Ų | 79.5 | 17% | 0.169 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -55.3 | 146.3 | -176.6 | -31.5 | 39.2 | 0 | 0 | 0 | 114.6 | V19 H57 | V19-P498 HydrophobicContact CB-CG 3.93Å; V19-P498 HydrophobicContact CG1-CG 4.1Å; V19-P498 HydrophobicContact CG2-CG 4.24Å; H57-P498 HydrophobicContact CB-CG 3.92Å |
| 499 | Q | 70 | Confident | 71.1 | Confident | 191 Ų | 191 | 73.3 Ų | 73.3 | 89% | 0.893 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -103.2 | -11.4 | -179.6 | -64.2 | -171.9 | -2 | 0 | 0 | 113.8 | ||
| 500 | S | 68.4 | Low | 72.9 | Confident | 72 Ų | 72 | 71.6 Ų | 71.6 | 50% | 0.503 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -101.9 | 128.7 | 172.2 | 47.1 | 0 | 0 | 0 | 0 | 108.9 | H57 | H57-S500 PolarHBondContact CE1-O 2.96Å; H57-S500 PolarHBondContact NE2-O 2.8Å |
| 501 | A | 75.3 | Confident | 74.7 | Confident | 11 Ų | 11 | 67.4 Ų | 67.4 | 9% | 0.091 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 152.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | S523 | A501-S523 VanDerWaalsContact CB-O 3.22Å; A501-S523 WeakPolarHBondContact CB-O 3.32Å |
| 502 | S | 78.1 | Confident | 76.1 | Confident | 2 Ų | 2 | 71.6 Ų | 71.6 | 1% | 0.014 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 137.4 | 170.8 | -173.9 | 0 | 0 | 0 | 0 | 111.5 | P21 T22 D55 S504 C505 | P21-S502 WeakPolarHBondContact CB-OG 3.36Å; T22-S502 PolarHBondContact N-OG 3.15Å; T22-S502 PolarHBondContact O-OG 3.37Å; D55-S502 WeakPolarHBondContact OD1-CB 3.43Å; D55-S502 PolarHBondContact OD1-N 2.82Å; S502-S504 PolarHBondContact O-N 2.92Å; S502-S504 PolarHBondContact OG-OG 2.73Å; S502-C505 PolarHBondContact O-N 2.8Å; S502-C505 VanDerWaalsContact O-N 3.13Å |
| 503 | E | 76.1 | Confident | 77.2 | Confident | 181 Ų | 181 | 74.7 Ų | 74.7 | 85% | 0.846 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -22.2 | -179.6 | -62.1 | 179.4 | 177.3 | 0 | 0 | 113.2 | ||
| 504 | S | 81.1 | Confident | 78.2 | Confident | 57 Ų | 57 | 72.3 Ų | 72.3 | 40% | 0.399 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 17.3 | 178.9 | 43.7 | 0 | 0 | 0 | 0 | 113.4 | T22 D23 S502 | T22-S504 PolarHBondContact O-OG 3Å; D23-S504 WeakPolarHBondContact CA-OG 3.37Å; S502-S504 PolarHBondContact O-N 2.92Å; S502-S504 PolarHBondContact OG-OG 2.73Å |
| 505 | C | 85.9 | Confident | 79.1 | Confident | 14 Ų | 14 | 76.2 Ų | 76.2 | 10% | 0.095 | 40% | 0.4 | C | S | . | . | trans | -124.1 | 156.1 | 177.4 | -70.4 | 0 | 0 | 0 | 0 | 110.8 | C24 S502 | C24-C505 HydrophobicContact CB-CB 4.1Å; C24-C505 WeakPolarHBondContact CB-SG 3.35Å; C24-C505 WeakPolarHBondContact SG-CB 3.33Å; C24-C505 CovalentContact SG-SG 2.03Å; C24-C505 PolarHBondContact SG-SG 3.04Å; S502-C505 PolarHBondContact O-N 2.8Å; S502-C505 VanDerWaalsContact O-N 3.13Å | ||
| 506 | P | 88.4 | Confident | 79.9 | Confident | 56 Ų | 56 | 73.7 Ų | 73.7 | 36% | 0.364 | 39% | 0.389 | S | S | . | . | S | Bend | cis | -77.8 | 155.1 | 2.7 | 32.9 | -37 | 0 | 0 | 0 | 113.8 | A54 | A54-P506 WeakPolarHBondContact O-CA 3.36Š|
| 507 | G | 86.8 | Confident | 80.7 | Confident | 12 Ų | 12 | 70.6 Ų | 70.6 | 12% | 0.124 | 37% | 0.369 | C | S | . | . | trans | -72.1 | 178.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | R52 V53 F509 | R52-G507 VanDerWaalsContact CD-O 3.24Å; R52-G507 WeakPolarHBondContact CD-O 3.46Å; V53-G507 PolarHBondContact O-N 2.71Å; G507-F509 PolarHBondContact O-N 2.91Å | ||
| 508 | K | 88.9 | Confident | 81.4 | Confident | 170 Ų | 170 | 75.4 Ų | 75.4 | 74% | 0.739 | 40% | 0.396 | S | S | * | . | trans | -61.5 | 120.5 | -178.6 | -178.7 | -175.1 | 174.7 | -173.1 | 0 | 111.5 | R52 | R52-K508 WeakPolarHBondContact CB-O 3.33Š| ||
| 509 | F | 88.8 | Confident | 82.3 | Confident | 46 Ų | 46 | 74.7 Ų | 74.7 | 20% | 0.202 | 39% | 0.39 | C | S | . | . | trans | -69.6 | 128.6 | 174.9 | -164.7 | -109.3 | 0 | 0 | 0 | 111.8 | L51 R52 G507 V516 L520 | L51-F509 HydrophobicContact CB-CD2 4.17Å; L51-F509 HydrophobicContact CB-CE2 3.78Å; L51-F509 HydrophobicContact CB-CZ 4.45Å; L51-F509 HydrophobicContact CD1-CE2 3.92Å; L51-F509 HydrophobicContact CD1-CZ 4.1Å; L51-F509 HydrophobicContact CG-CE2 4.34Å; L51-F509 CarbonylContact O-C 3.56Å; L51-F509 WeakPolarHBondContact O-CA 3.44Å; R52-F509 HydrophobicContact CG-CD2 4.13Å; G507-F509 PolarHBondContact O-N 2.91Å; F509-V516 HydrophobicContact CZ-CB 4.46Å; F509-V516 HydrophobicContact CZ-CG1 4.41Å; F509-L520 HydrophobicContact CE2-CD1 3.83Å; F509-L520 HydrophobicContact CZ-CD1 4.29Å | ||
| 510 | K | 86.1 | Confident | 83.2 | Confident | 77 Ų | 77 | 66 Ų | 66 | 34% | 0.335 | 35% | 0.35 | S | S | . | . | trans | -115.7 | 93.9 | 178.4 | -65.7 | 170.4 | 174.8 | 166 | 0 | 108.9 | E28 E32 L51 | E28-K510 VanDerWaalsContact OE1-CE 3.26Å; E28-K510 WeakPolarHBondContact OE1-CE 3.13Å; E28-K510 IonicContact OE1-NZ 3.81Å; E28-K510 PolarHBondContact OE1-NZ 3.2Å; E28-K510 WeakPolarHBondContact OE2-CE 3.48Å; E28-K510 IonicContact OE2-NZ 3Å; E28-K510 PolarHBondContact OE2-NZ 3.14Å; E32-K510 IonicContact OE1-NZ 2.74Å; E32-K510 PolarHBondContact OE1-NZ 3.45Å; L51-K510 VanDerWaalsContact CD2-O 3.24Å; L51-K510 WeakPolarHBondContact CD2-O 3.23Å; L51-K510 PolarHBondContact O-N 2.68Å | ||
| 511 | S | 80.9 | Confident | 83.9 | Confident | 36 Ų | 36 | 64.7 Ų | 64.7 | 25% | 0.252 | 34% | 0.339 | S | S | . | . | trans | -155.3 | 146.7 | 168.9 | -169.2 | 0 | 0 | 0 | 0 | 110 | Q74 F513 | Q74-S511 PolarHBondContact OE1-OG 3.26Å; S511-F513 VanDerWaalsContact C-N 3.32Å; S511-F513 PolarHBondContact OG-N 3.27Å | ||
| 512 | E | 73.5 | Confident | 83.7 | Confident | 183 Ų | 183 | 66.6 Ų | 66.6 | 86% | 0.855 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -68.7 | -36.5 | 169.3 | -55.8 | -171.6 | 154.1 | 0 | 0 | 110.5 | S514 | E512-S514 PolarHBondContact O-N 3.26Š|
| 513 | F | 76.4 | Confident | 82.8 | Confident | 95 Ų | 95 | 69.6 Ų | 69.6 | 42% | 0.417 | 37% | 0.367 | S | S | . | . | trans | -90.5 | 72.5 | 178.2 | -60.1 | -81.2 | 0 | 0 | 0 | 110.8 | I100 S511 Q515 V516 | I100-F513 HydrophobicContact CD1-CD1 4.05Å; I100-F513 HydrophobicContact CD1-CD2 3.96Å; I100-F513 HydrophobicContact CD1-CE1 4.24Å; I100-F513 HydrophobicContact CD1-CE2 4.16Å; I100-F513 HydrophobicContact CD1-CG 3.91Å; I100-F513 HydrophobicContact CD1-CZ 4.29Å; S511-F513 VanDerWaalsContact C-N 3.32Å; S511-F513 PolarHBondContact OG-N 3.27Å; F513-Q515 PolarHBondContact O-N 2.97Å; F513-V516 HydrophobicContact CB-CG2 3.6Å; F513-V516 WeakPolarHBondContact O-CB 3.48Å; F513-V516 VanDerWaalsContact O-CG2 3.27Å; F513-V516 WeakPolarHBondContact O-CG2 3.31Å; F513-V516 PolarHBondContact O-N 2.85Å | ||
| 514 | S | 81 | Confident | 81.8 | Confident | 79 Ų | 79 | 67.7 Ų | 67.7 | 55% | 0.552 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -49.3 | -29.7 | 179.5 | 61 | 0 | 0 | 0 | 0 | 114.6 | E512 V516 S517 | E512-S514 PolarHBondContact O-N 3.26Å; S514-V516 PolarHBondContact O-N 2.84Å; S514-S517 WeakPolarHBondContact O-CB 3.37Å; S514-S517 PolarHBondContact O-N 2.88Å; S514-S517 PolarHBondContact O-OG 3.22Å |
| 515 | Q | 84.7 | Confident | 80.4 | Confident | 116 Ų | 116 | 67.9 Ų | 67.9 | 54% | 0.542 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -60.5 | -24.3 | 175.7 | -58.3 | -176.2 | 31.7 | 0 | 0 | 114.1 | L135 F513 S517 N518 | L135-Q515 HydrophobicContact CD2-CB 4.02Å; F513-Q515 PolarHBondContact O-N 2.97Å; Q515-S517 PolarHBondContact O-N 2.95Å; Q515-N518 WeakPolarHBondContact O-CB 3.3Å; Q515-N518 PolarHBondContact O-N 3.36Å; Q515-N518 PolarHBondContact O-ND2 3.44Å |
| 516 | V | 88.1 | Confident | 78.6 | Confident | 0 Ų | 0 | 79.9 Ų | 79.9 | 0% | 0 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -60.6 | -30.3 | 177.3 | 171.7 | 0 | 0 | 0 | 0 | 112 | I100 I102 V131 L135 F509 F513 S514 N518 F519 | I100-V516 HydrophobicContact CG2-CG2 3.82Å; I102-V516 HydrophobicContact CG2-CG1 3.27Å; V131-V516 HydrophobicContact CG2-CG2 4.42Å; L135-V516 HydrophobicContact CD1-CG2 3.79Å; F509-V516 HydrophobicContact CZ-CB 4.46Å; F509-V516 HydrophobicContact CZ-CG1 4.41Å; F513-V516 HydrophobicContact CB-CG2 3.6Å; F513-V516 WeakPolarHBondContact O-CB 3.48Å; F513-V516 VanDerWaalsContact O-CG2 3.27Å; F513-V516 WeakPolarHBondContact O-CG2 3.31Å; F513-V516 PolarHBondContact O-N 2.85Å; S514-V516 PolarHBondContact O-N 2.84Å; V516-N518 PolarHBondContact O-N 3.18Å; V516-N518 VanDerWaalsContact O-N 3.09Å; V516-F519 PolarHBondContact O-N 2.84Å |
| 517 | S | 88.4 | Confident | 78.1 | Confident | 43 Ų | 43 | 81.1 Ų | 81.1 | 30% | 0.301 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -58.2 | -24.3 | 178.4 | 62.2 | 0 | 0 | 0 | 0 | 114.1 | S514 Q515 F519 L520 | S514-S517 WeakPolarHBondContact O-CB 3.37Å; S514-S517 PolarHBondContact O-N 2.88Å; S514-S517 PolarHBondContact O-OG 3.22Å; Q515-S517 PolarHBondContact O-N 2.95Å; S517-F519 PolarHBondContact O-N 3.38Å; S517-L520 PolarHBondContact O-N 2.77Å |
| 518 | N | 89.4 | Confident | 77.6 | Confident | 117 Ų | 117 | 84.7 Ų | 84.7 | 63% | 0.626 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -70.5 | -15.2 | 177.6 | -60.2 | -73.8 | 0 | 0 | 0 | 113.8 | Q515 V516 | Q515-N518 WeakPolarHBondContact O-CB 3.3Å; Q515-N518 PolarHBondContact O-N 3.36Å; Q515-N518 PolarHBondContact O-ND2 3.44Å; V516-N518 PolarHBondContact O-N 3.18Å; V516-N518 VanDerWaalsContact O-N 3.09Å |
| 519 | F | 91.4 | Very high | 77 | Confident | 10 Ų | 10 | 80 Ų | 80 | 4% | 0.044 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -99.3 | 2.5 | -178.4 | -63.7 | -95.6 | 0 | 0 | 0 | 113 | I102 V131 A134 L135 L465 E469 L471 V516 S517 | I102-F519 HydrophobicContact CD1-CB 3.65Å; V131-F519 HydrophobicContact CB-CD1 4.37Å; V131-F519 HydrophobicContact CB-CD2 4.39Å; V131-F519 HydrophobicContact CB-CE1 4.37Å; V131-F519 HydrophobicContact CB-CE2 4.42Å; V131-F519 HydrophobicContact CB-CG 4.36Å; V131-F519 HydrophobicContact CB-CZ 4.4Å; V131-F519 HydrophobicContact CG1-CB 3.83Å; V131-F519 HydrophobicContact CG1-CD1 3.58Å; V131-F519 HydrophobicContact CG1-CD2 4.04Å; V131-F519 HydrophobicContact CG1-CE1 4.04Å; V131-F519 HydrophobicContact CG1-CE2 4.47Å; V131-F519 HydrophobicContact CG1-CG 3.57Å; V131-F519 HydrophobicContact CG1-CZ 4.46Å; A134-F519 HydrophobicContact CB-CE1 3.91Å; A134-F519 HydrophobicContact CB-CZ 3.79Å; L135-F519 HydrophobicContact CD2-CE2 3.98Å; L135-F519 HydrophobicContact CD2-CZ 4.45Å; L135-F519 HydrophobicContact CG-CE2 4.28Å; L465-F519 HydrophobicContact CB-CD1 3.98Å; L465-F519 HydrophobicContact CB-CE1 4.35Å; L465-F519 HydrophobicContact CD1-CB 4.12Å; L465-F519 HydrophobicContact CD1-CD1 4.12Å; E469-F519 WeakPolarHBondContact O-CD1 3.46Å; L471-F519 WeakPolarHBondContact CB-O 3.49Å; L471-F519 PolarHBondContact N-O 3.32Å; V516-F519 PolarHBondContact O-N 2.84Å; S517-F519 PolarHBondContact O-N 3.38Å |
| 520 | L | 90.2 | Very high | 76.3 | Confident | 10 Ų | 10 | 82 Ų | 82 | 5% | 0.052 | 43% | 0.425 | C | S | . | . | B | Isolated β-bridge | trans | -110.2 | 131.4 | -176.2 | -67.7 | 161.8 | 0 | 0 | 0 | 109.8 | L51 D72 I102 Q104 L471 F509 S517 H522 | L51-L520 HydrophobicContact CD1-CD1 3.97Å; D72-L520 HydrophobicContact CB-CD1 4.12Å; I102-L520 HydrophobicContact CB-CD2 4.42Å; I102-L520 HydrophobicContact CD1-CD2 3.92Å; I102-L520 HydrophobicContact CD1-CG 4.07Å; Q104-L520 HydrophobicContact CG-CD2 3.56Å; L471-L520 HydrophobicContact CD2-CD2 4.5Å; F509-L520 HydrophobicContact CE2-CD1 3.83Å; F509-L520 HydrophobicContact CZ-CD1 4.29Å; S517-L520 PolarHBondContact O-N 2.77Å; L520-H522 PolarHBondContact O-CE1 2.91Å; L520-H522 PolarHBondContact O-ND1 2.99Å |
| 521 | T | 82.3 | Confident | 75.7 | Confident | 44 Ų | 44 | 82.3 Ų | 82.3 | 27% | 0.27 | 43% | 0.431 | S | S | . | . | trans | -95.8 | 135.8 | -176.3 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | Q104 V470 L471 L473 | Q104-T521 PolarHBondContact NE2-O 2.77Å; Q104-T521 PolarHBondContact OE1-O 2.99Å; V470-T521 WeakPolarHBondContact CG2-OG1 3.49Å; L471-T521 WeakPolarHBondContact O-CB 3.36Å; L471-T521 PolarHBondContact O-OG1 2.9Å; L473-T521 WeakPolarHBondContact CD2-O 3.44Å; L473-T521 HydrophobicContact CG-CG2 4.48Å | ||
| 522 | H | 70.8 | Confident | 75.3 | Confident | 51 Ų | 51 | 85.4 Ų | 85.4 | 24% | 0.236 | 44% | 0.443 | C | S | . | . | trans | -123.4 | 138.2 | 178 | -59 | 86.2 | 0 | 0 | 0 | 112.1 | R52 D72 Q104 L520 L524 | R52-H522 PolarHBondContact NH2-CE1 3.1Å; R52-H522 PolarHBondContact NH2-NE2 3.21Å; D72-H522 IonicContact OD1-NE2 2.85Å; D72-H522 PolarHBondContact OD1-NE2 2.9Å; D72-H522 VanDerWaalsContact OD1-NE2 3.14Å; D72-H522 IonicContact OD2-CE1 2.78Å; D72-H522 PolarHBondContact OD2-CE1 3Å; D72-H522 IonicContact OD2-NE2 2.75Å; D72-H522 PolarHBondContact OD2-NE2 3.24Å; Q104-H522 PolarHBondContact NE2-NE2 3.24Å; L520-H522 PolarHBondContact O-CE1 2.91Å; L520-H522 PolarHBondContact O-ND1 2.99Å; H522-L524 PolarHBondContact O-N 2.88Å | ||
| 523 | S | 60.5 | Low | 75.5 | Confident | 65 Ų | 65 | 78.4 Ų | 78.4 | 46% | 0.455 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 118.5 | 162.1 | -62.9 | 0 | 0 | 0 | 0 | 108 | A501 | A501-S523 VanDerWaalsContact CB-O 3.22Å; A501-S523 WeakPolarHBondContact CB-O 3.32Å |
| 524 | L | 54.1 | Low | 75.4 | Confident | 140 Ų | 140 | 77.2 Ų | 77.2 | 73% | 0.733 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -77.3 | 147.2 | 170 | -63.7 | 173.8 | 0 | 0 | 0 | 109.9 | H522 | H522-L524 PolarHBondContact O-N 2.88Š|
| 525 | P | 52.8 | Low | 74.9 | Confident | 61 Ų | 61 | 77 Ų | 77 | 40% | 0.396 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 154.1 | 163.7 | 26.9 | -33.4 | 0 | 0 | 0 | 110.3 | ||
| 526 | K | 46.5 | Very low | 74 | Confident | 267 Ų | 267 | 73.5 Ų | 73.5 | 100% | 1.161 | 39% | 0.388 | S | S | * | . | trans | -102.6 | 0 | -171.3 | -76.3 | -175.5 | 177.1 | 173.8 | 0 | 113.2 |
Retrieved 526 of 526 residues in 1580 ms
(Link to these results)