| 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 | 65.5 | Low | 76.6 | Confident | 201 Ų | 201 | 129.3 Ų | 129.3 | 99% | 0.99 | 62% | 0.622 | S | S | * | * | 0 | -60.7 | 0 | -91.5 | 167.4 | 56.5 | 0 | 0 | 114.4 | K3 L4 L5 | M1-K3 PolarHBondContact O-N 3.31Å; M1-L4 PolarHBondContact O-N 3.27Å; M1-L4 VanDerWaalsContact O-N 3.11Å; M1-L5 PolarHBondContact O-N 3.33Å | |||
| 2 | R | 75 | Confident | 75.7 | Confident | 214 Ų | 214 | 122.8 Ų | 122.8 | 81% | 0.808 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -56.2 | -40.5 | -173.6 | -134.5 | 176.4 | -175.2 | -178.4 | 1.2 | 115.2 | L5 N6 | R2-L5 PolarHBondContact O-N 3.26Å; R2-N6 PolarHBondContact O-N 3.24Å; R2-N6 PolarHBondContact O-OD1 3.43Å |
| 3 | K | 76.7 | Confident | 74.8 | Confident | 178 Ų | 178 | 121.3 Ų | 121.3 | 77% | 0.774 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.9 | -39.7 | 175.5 | -74.1 | -176.1 | 176.5 | -177.5 | 0 | 113.4 | M1 N6 I7 | M1-K3 PolarHBondContact O-N 3.31Å; K3-N6 PolarHBondContact O-N 2.98Å; K3-I7 WeakPolarHBondContact O-CG1 3.31Å; K3-I7 PolarHBondContact O-N 3.32Å |
| 4 | L | 80.9 | Confident | 73.6 | Confident | 127 Ų | 127 | 121 Ų | 121 | 67% | 0.665 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.7 | -40.3 | 175.8 | -83.9 | 152.3 | 0 | 0 | 0 | 111.3 | M1 I7 F8 | M1-L4 PolarHBondContact O-N 3.27Å; M1-L4 VanDerWaalsContact O-N 3.11Å; L4-I7 PolarHBondContact O-N 3.24Å; L4-F8 WeakPolarHBondContact O-CB 3.49Å; L4-F8 PolarHBondContact O-N 3.41Å |
| 5 | L | 82.7 | Confident | 72.3 | Confident | 101 Ų | 101 | 119 Ų | 119 | 53% | 0.529 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62.6 | -42.9 | 174.9 | -174.1 | 67.6 | 0 | 0 | 0 | 111.6 | M1 R2 F8 I9 | M1-L5 PolarHBondContact O-N 3.33Å; R2-L5 PolarHBondContact O-N 3.26Å; L5-F8 PolarHBondContact O-N 3.01Å; L5-I9 HydrophobicContact CD1-CD1 4.31Å; L5-I9 HydrophobicContact CD2-CD1 4.46Å; L5-I9 HydrophobicContact CG-CD1 3.87Å; L5-I9 HydrophobicContact CG-CG1 4.48Å; L5-I9 WeakPolarHBondContact O-CB 3.17Å; L5-I9 VanDerWaalsContact O-CG1 3.23Å; L5-I9 WeakPolarHBondContact O-CG1 3.24Å; L5-I9 PolarHBondContact O-N 3.05Å |
| 6 | N | 82.6 | Confident | 71.1 | Confident | 99 Ų | 99 | 118.5 Ų | 118.5 | 53% | 0.529 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.3 | -39.7 | 177 | -71 | -3.4 | 0 | 0 | 0 | 112.5 | R2 K3 L10 | R2-N6 PolarHBondContact O-N 3.24Å; R2-N6 PolarHBondContact O-OD1 3.43Å; K3-N6 PolarHBondContact O-N 2.98Å; N6-L10 VanDerWaalsContact O-CB 3.27Å; N6-L10 WeakPolarHBondContact O-CB 3.37Å; N6-L10 PolarHBondContact O-N 3.44Å |
| 7 | I | 80.6 | Confident | 70.5 | Confident | 105 Ų | 105 | 117.7 Ų | 117.7 | 54% | 0.538 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64.4 | -44.7 | 174 | -68.5 | 166.9 | 0 | 0 | 0 | 109.8 | K3 L4 I9 L10 T11 | K3-I7 WeakPolarHBondContact O-CG1 3.31Å; K3-I7 PolarHBondContact O-N 3.32Å; L4-I7 PolarHBondContact O-N 3.24Å; I7-I9 PolarHBondContact O-N 3.06Å; I7-L10 PolarHBondContact O-N 2.86Å; I7-T11 HydrophobicContact CG2-CG2 4.29Å; I7-T11 WeakPolarHBondContact O-CB 3.17Å; I7-T11 WeakPolarHBondContact O-CG2 3.38Å; I7-T11 PolarHBondContact O-N 3.48Å; I7-T11 PolarHBondContact O-OG1 2.9Å |
| 8 | F | 80 | Confident | 70.2 | Confident | 144 Ų | 144 | 115.2 Ų | 115.2 | 63% | 0.632 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -61.1 | -46.5 | 178.7 | -149.1 | -87.4 | 0 | 0 | 0 | 111.3 | L4 L5 L10 T11 S12 | L4-F8 WeakPolarHBondContact O-CB 3.49Å; L4-F8 PolarHBondContact O-N 3.41Å; L5-F8 PolarHBondContact O-N 3.01Å; F8-L10 PolarHBondContact O-N 2.69Å; F8-T11 WeakPolarHBondContact CA-OG1 3.36Å; F8-T11 PolarHBondContact O-N 3.28Å; F8-T11 PolarHBondContact O-OG1 3.2Å; F8-S12 WeakPolarHBondContact O-CB 3.21Å; F8-S12 PolarHBondContact O-N 3.29Å; F8-S12 PolarHBondContact O-OG 3.36Å |
| 9 | I | 78.6 | Confident | 71.2 | Confident | 80 Ų | 80 | 112 Ų | 112 | 41% | 0.41 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -60.4 | -45.6 | 174.5 | -69.3 | 167.1 | 0 | 0 | 0 | 110.6 | L5 I7 S12 I13 | L5-I9 HydrophobicContact CD1-CD1 4.31Å; L5-I9 HydrophobicContact CD2-CD1 4.46Å; L5-I9 HydrophobicContact CG-CD1 3.87Å; L5-I9 HydrophobicContact CG-CG1 4.48Å; L5-I9 WeakPolarHBondContact O-CB 3.17Å; L5-I9 VanDerWaalsContact O-CG1 3.23Å; L5-I9 WeakPolarHBondContact O-CG1 3.24Å; L5-I9 PolarHBondContact O-N 3.05Å; I7-I9 PolarHBondContact O-N 3.06Å; I9-S12 PolarHBondContact O-N 3.14Å; I9-I13 HydrophobicContact CG2-CD1 3.55Å; I9-I13 HydrophobicContact CG2-CG1 4.27Å; I9-I13 WeakPolarHBondContact O-CB 3.38Å; I9-I13 WeakPolarHBondContact O-CG1 3.33Å; I9-I13 PolarHBondContact O-N 2.95Å |
| 10 | L | 71.4 | Confident | 72.5 | Confident | 107 Ų | 107 | 108.2 Ų | 108.2 | 56% | 0.56 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.8 | -43.2 | 179.4 | -160.3 | 79.8 | 0 | 0 | 0 | 111.4 | N6 I7 F8 I13 I14 | N6-L10 VanDerWaalsContact O-CB 3.27Å; N6-L10 WeakPolarHBondContact O-CB 3.37Å; N6-L10 PolarHBondContact O-N 3.44Å; I7-L10 PolarHBondContact O-N 2.86Å; F8-L10 PolarHBondContact O-N 2.69Å; L10-I13 PolarHBondContact O-N 3.09Å; L10-I14 HydrophobicContact CD2-CD1 4.31Å; L10-I14 HydrophobicContact CG-CD1 4Å; L10-I14 WeakPolarHBondContact O-CB 3.17Å; L10-I14 WeakPolarHBondContact O-CD1 3.44Å; L10-I14 WeakPolarHBondContact O-CG1 3.16Å; L10-I14 PolarHBondContact O-N 2.96Å |
| 11 | T | 68.9 | Low | 73.7 | Confident | 66 Ų | 66 | 105.2 Ų | 105.2 | 41% | 0.405 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66 | -37.2 | 174.7 | 50.5 | 0 | 0 | 0 | 0 | 111.7 | I7 F8 I14 S15 | I7-T11 HydrophobicContact CG2-CG2 4.29Å; I7-T11 WeakPolarHBondContact O-CB 3.17Å; I7-T11 WeakPolarHBondContact O-CG2 3.38Å; I7-T11 PolarHBondContact O-N 3.48Å; I7-T11 PolarHBondContact O-OG1 2.9Å; F8-T11 WeakPolarHBondContact CA-OG1 3.36Å; F8-T11 PolarHBondContact O-N 3.28Å; F8-T11 PolarHBondContact O-OG1 3.2Å; T11-I14 PolarHBondContact O-N 3.13Å; T11-S15 WeakPolarHBondContact O-CB 3.25Å; T11-S15 PolarHBondContact O-N 3.47Å; T11-S15 PolarHBondContact O-OG 2.91Å |
| 12 | S | 65.9 | Low | 75.3 | Confident | 51 Ų | 51 | 95.7 Ų | 95.7 | 36% | 0.357 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.7 | -40.2 | 174.5 | -64.6 | 0 | 0 | 0 | 0 | 111.7 | F8 I9 S15 C16 | F8-S12 WeakPolarHBondContact O-CB 3.21Å; F8-S12 PolarHBondContact O-N 3.29Å; F8-S12 PolarHBondContact O-OG 3.36Å; I9-S12 PolarHBondContact O-N 3.14Å; S12-S15 PolarHBondContact O-N 3.44Å; S12-C16 WeakPolarHBondContact O-CB 3.25Å; S12-C16 PolarHBondContact O-N 3.45Å; S12-C16 PolarHBondContact O-SG 2.9Å; S12-C16 VanDerWaalsContact O-SG 3.37Å |
| 13 | I | 63.3 | Low | 76.4 | Confident | 104 Ų | 104 | 85.5 Ų | 85.5 | 53% | 0.533 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66 | -43.2 | 175.4 | -67.9 | 165.8 | 0 | 0 | 0 | 110.7 | I9 L10 S15 C16 | I9-I13 HydrophobicContact CG2-CD1 3.55Å; I9-I13 HydrophobicContact CG2-CG1 4.27Å; I9-I13 WeakPolarHBondContact O-CB 3.38Å; I9-I13 WeakPolarHBondContact O-CG1 3.33Å; I9-I13 PolarHBondContact O-N 2.95Å; L10-I13 PolarHBondContact O-N 3.09Å; I13-S15 VanDerWaalsContact C-N 3.34Å; I13-C16 PolarHBondContact O-N 3.48Å |
| 14 | I | 57.9 | Low | 77.5 | Confident | 117 Ų | 117 | 77 Ų | 77 | 60% | 0.6 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -67 | -36.2 | 176.5 | -66.5 | 164.2 | 0 | 0 | 0 | 111 | L10 T11 C16 | L10-I14 HydrophobicContact CD2-CD1 4.31Å; L10-I14 HydrophobicContact CG-CD1 4Å; L10-I14 WeakPolarHBondContact O-CB 3.17Å; L10-I14 WeakPolarHBondContact O-CD1 3.44Å; L10-I14 WeakPolarHBondContact O-CG1 3.16Å; L10-I14 PolarHBondContact O-N 2.96Å; T11-I14 PolarHBondContact O-N 3.13Å; I14-C16 VanDerWaalsContact C-N 3.31Å; I14-C16 PolarHBondContact O-N 3.04Å |
| 15 | S | 54.8 | Low | 78.3 | Confident | 91 Ų | 91 | 71 Ų | 71 | 64% | 0.636 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -72.5 | -22.6 | 177 | -55 | 0 | 0 | 0 | 0 | 113.1 | T11 S12 I13 V17 | T11-S15 WeakPolarHBondContact O-CB 3.25Å; T11-S15 PolarHBondContact O-N 3.47Å; T11-S15 PolarHBondContact O-OG 2.91Å; S12-S15 PolarHBondContact O-N 3.44Å; I13-S15 VanDerWaalsContact C-N 3.34Å; S15-V17 VanDerWaalsContact C-N 3.32Å |
| 16 | C | 53.5 | Low | 79 | Confident | 111 Ų | 111 | 66.4 Ų | 66.4 | 75% | 0.75 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -10.7 | 179.9 | -85.6 | 0 | 0 | 0 | 0 | 114 | S12 I13 I14 | S12-C16 WeakPolarHBondContact O-CB 3.25Å; S12-C16 PolarHBondContact O-N 3.45Å; S12-C16 PolarHBondContact O-SG 2.9Å; S12-C16 VanDerWaalsContact O-SG 3.37Å; I13-C16 PolarHBondContact O-N 3.48Å; I14-C16 VanDerWaalsContact C-N 3.31Å; I14-C16 PolarHBondContact O-N 3.04Å |
| 17 | V | 60.2 | Low | 79.7 | Confident | 105 Ų | 105 | 62 Ų | 62 | 64% | 0.636 | 35% | 0.35 | S | S | * | . | trans | -109.1 | 69.8 | 174.4 | -168.4 | 0 | 0 | 0 | 0 | 108.9 | S15 S19 | S15-V17 VanDerWaalsContact C-N 3.32Å; V17-S19 VanDerWaalsContact C-N 3.3Å; V17-S19 PolarHBondContact O-N 2.85Å | ||
| 18 | S | 64.8 | Low | 80.4 | Confident | 72 Ų | 72 | 57 Ų | 57 | 50% | 0.503 | 33% | 0.325 | S | S | . | . | trans | -75.7 | 87.5 | 167.6 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | Y20 | S18-Y20 PolarHBondContact O-N 3.34Š| ||
| 19 | S | 89.1 | Confident | 81 | Confident | 55 Ų | 55 | 51 Ų | 51 | 39% | 0.385 | 30% | 0.298 | S | S | . | . | trans | -78.2 | 100.6 | 170.8 | 163.3 | 0 | 0 | 0 | 0 | 109 | V17 G48 N50 | V17-S19 VanDerWaalsContact C-N 3.3Å; V17-S19 PolarHBondContact O-N 2.85Å; S19-G48 WeakPolarHBondContact CB-O 3.45Å; S19-G48 PolarHBondContact OG-O 3.32Å; S19-N50 PolarHBondContact OG-N 3.26Å | ||
| 20 | Y | 97.6 | Very high | 81.4 | Confident | 36 Ų | 36 | 47.9 Ų | 47.9 | 14% | 0.141 | 29% | 0.286 | C | S | . | . | trans | -66.4 | 145.2 | 170.8 | -64.2 | -75.2 | 0 | 0 | 0 | 110.5 | S18 N49 N50 D142 E467 A470 R471 | S18-Y20 PolarHBondContact O-N 3.34Å; Y20-N49 WeakPolarHBondContact CB-OD1 3.2Å; Y20-N49 PolarHBondContact N-OD1 2.9Å; Y20-N50 PolarHBondContact O-N 3.46Å; Y20-D142 WeakPolarHBondContact CA-OD2 3.47Å; Y20-D142 HydrophobicContact CD1-CB 4.12Å; Y20-E467 HydrophobicContact CD2-CB 4.17Å; Y20-E467 HydrophobicContact CD2-CG 3.9Å; Y20-E467 HydrophobicContact CE2-CB 3.86Å; Y20-E467 HydrophobicContact CE2-CG 4Å; Y20-A470 HydrophobicContact CD1-CB 3.55Å; Y20-A470 HydrophobicContact CD2-CB 4.15Å; Y20-A470 HydrophobicContact CE1-CB 3.99Å; Y20-A470 HydrophobicContact CG-CB 3.64Å; Y20-R471 HydrophobicContact CE1-CB 4.45Å; Y20-R471 WeakPolarHBondContact OH-CB 3.45Å | ||
| 21 | K | 98 | Very high | 82.3 | Confident | 46 Ų | 46 | 44.9 Ų | 44.9 | 20% | 0.2 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 111.5 | 175.5 | -160.4 | -178.2 | -172.4 | 169.9 | 0 | 109.6 | N50 E139 Y141 D142 | K21-N50 CarbonylContact C-O 3.55Å; K21-N50 WeakPolarHBondContact CA-O 3.42Å; K21-N50 HydrophobicContact CG-CB 4.45Å; K21-E139 WeakPolarHBondContact CD-O 3.42Å; K21-E139 WeakPolarHBondContact CE-O 2.99Å; K21-E139 WeakPolarHBondContact CE-OE2 3.09Å; K21-E139 PolarHBondContact NZ-O 3Å; K21-E139 IonicContact NZ-OE2 3.19Å; K21-E139 PolarHBondContact NZ-OE2 3.31Å; K21-Y141 HydrophobicContact CB-CD1 4.36Å; K21-Y141 HydrophobicContact CD-CD1 4.18Å; K21-Y141 HydrophobicContact CD-CE1 4.37Å; K21-Y141 HydrophobicContact CG-CD1 3.7Å; K21-Y141 HydrophobicContact CG-CE1 3.95Å; K21-D142 PolarHBondContact N-OD2 3.08Å; K21-D142 PolarHBondContact O-N 3.45Å |
| 22 | I | 98.7 | Very high | 83.3 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 128.6 | -169.7 | -58.6 | 173.8 | 0 | 0 | 0 | 109.6 | L44 N49 N50 V51 T52 L143 I145 V466 | I22-L44 HydrophobicContact CD1-CD1 4.29Å; I22-N49 HydrophobicContact CD1-CB 3.86Å; I22-N50 PolarHBondContact N-O 2.84Å; I22-V51 HydrophobicContact CB-CG2 4.44Å; I22-V51 WeakPolarHBondContact O-CA 3.35Å; I22-T52 PolarHBondContact O-N 3.5Å; I22-L143 WeakPolarHBondContact CA-O 3.39Å; I22-I145 HydrophobicContact CG2-CD1 3.75Å; I22-I145 HydrophobicContact CG2-CG1 3.83Å; I22-V466 HydrophobicContact CD1-CG1 3.59Å |
| 23 | L | 98.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 119.9 | 169.1 | 176.8 | 62.2 | 0 | 0 | 0 | 109.5 | T52 L54 L136 Y141 L143 A144 I145 I160 | L23-T52 HydrophobicContact CD1-CG2 4.39Å; L23-L54 HydrophobicContact CD1-CB 4.3Å; L23-L136 HydrophobicContact CD1-CD2 4.02Å; L23-L136 HydrophobicContact CD2-CD2 4.3Å; L23-Y141 HydrophobicContact CB-CD1 3.69Å; L23-Y141 HydrophobicContact CB-CD2 3.81Å; L23-Y141 HydrophobicContact CB-CE1 3.88Å; L23-Y141 HydrophobicContact CB-CE2 3.97Å; L23-Y141 HydrophobicContact CB-CG 3.67Å; L23-Y141 HydrophobicContact CD1-CE2 4.19Å; L23-Y141 HydrophobicContact CD2-CD2 4.15Å; L23-Y141 HydrophobicContact CD2-CE2 4.12Å; L23-Y141 HydrophobicContact CG-CD2 4.47Å; L23-Y141 HydrophobicContact CG-CE2 4.32Å; L23-L143 PolarHBondContact N-O 3.38Å; L23-A144 HydrophobicContact CB-CB 4.2Å; L23-A144 CarbonylContact O-C 3.57Å; L23-A144 WeakPolarHBondContact O-CA 3.26Å; L23-I145 PolarHBondContact O-N 3.47Å; L23-I160 HydrophobicContact CD2-CD1 3.73Å |
| 24 | L | 98.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 119.4 | 171.6 | -167.1 | 149.8 | 0 | 0 | 0 | 109.7 | S26 L37 A41 V51 T52 V53 L54 I145 | L24-S26 VanDerWaalsContact CD2-CB 3.45Å; L24-L37 HydrophobicContact CD2-CB 4.3Å; L24-A41 HydrophobicContact CD1-CB 4.1Å; L24-V51 HydrophobicContact CB-CG1 4.45Å; L24-T52 PolarHBondContact N-O 3.39Å; L24-V53 HydrophobicContact CB-CG2 4.45Å; L24-V53 HydrophobicContact CD2-CG1 3.91Å; L24-V53 CarbonylContact O-C 3.52Å; L24-V53 VanDerWaalsContact O-CA 3.28Å; L24-V53 WeakPolarHBondContact O-CA 3.5Å; L24-L54 PolarHBondContact O-N 3.41Å; L24-I145 CarbonylContact C-O 3.38Å; L24-I145 WeakPolarHBondContact CA-O 3.45Å; L24-I145 HydrophobicContact CB-CB 4.36Å; L24-I145 HydrophobicContact CD1-CB 4.2Å; L24-I145 HydrophobicContact CD1-CD1 4.49Å; L24-I145 HydrophobicContact CD1-CG2 4.07Å; L24-I145 HydrophobicContact CG-CB 4.03Å; L24-I145 HydrophobicContact CG-CG2 4.19Å |
| 25 | Y | 98.7 | Very high | 87.8 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 115.3 | 170.5 | -174.2 | -82.9 | 0 | 0 | 0 | 108.8 | L54 P56 V126 I145 T146 D150 C152 L156 | Y25-L54 HydrophobicContact CD2-CD2 3.83Å; Y25-L54 HydrophobicContact CD2-CG 4.19Å; Y25-L54 HydrophobicContact CE2-CD2 4.07Å; Y25-L54 HydrophobicContact CE2-CG 4.47Å; Y25-P56 HydrophobicContact CE1-CG 4.28Å; Y25-P56 HydrophobicContact CE2-CG 3.79Å; Y25-P56 WeakPolarHBondContact OH-CG 3.31Å; Y25-V126 HydrophobicContact CE2-CG1 4.19Å; Y25-I145 PolarHBondContact N-O 2.99Å; Y25-T146 WeakPolarHBondContact CD1-OG1 3.46Å; Y25-D150 HydrophobicContact CE1-CB 4.31Å; Y25-D150 WeakPolarHBondContact CE1-OD2 3.39Å; Y25-C152 WeakPolarHBondContact OH-CB 3.41Å; Y25-L156 HydrophobicContact CD2-CD2 3.62Å; Y25-L156 HydrophobicContact CE2-CD2 4.07Å |
| 26 | S | 97.7 | Very high | 89.8 | Confident | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | trans | -143.4 | 103.7 | 177.5 | 174.2 | 0 | 0 | 0 | 0 | 108.9 | L24 L37 L54 M55 | L24-S26 VanDerWaalsContact CD2-CB 3.45Å; S26-L37 WeakPolarHBondContact OG-CD1 3.21Å; S26-L54 PolarHBondContact N-O 2.84Å; S26-M55 VanDerWaalsContact O-CA 3.29Å; S26-M55 WeakPolarHBondContact O-CA 3.25Å | ||
| 27 | N | 96.4 | Very high | 91.9 | Very high | 7 Ų | 7 | 27.2 Ų | 27.2 | 4% | 0.037 | 16% | 0.157 | C | C | . | . | trans | -61.5 | 165.8 | 171.6 | 74.7 | 29.2 | 0 | 0 | 0 | 112.1 | F29 V34 P56 F58 D150 | N27-F29 VanDerWaalsContact OD1-CB 3.28Å; N27-F29 WeakPolarHBondContact OD1-CB 3.31Å; N27-F29 PolarHBondContact OD1-N 3.45Å; N27-V34 WeakPolarHBondContact O-CG2 3.34Å; N27-P56 CarbonylContact C-O 3.58Å; N27-P56 WeakPolarHBondContact CA-O 3.34Å; N27-P56 HydrophobicContact CB-CB 4.19Å; N27-P56 HydrophobicContact CB-CG 4.37Å; N27-F58 HydrophobicContact CB-CD2 3.75Å; N27-F58 HydrophobicContact CB-CE2 3.62Å; N27-D150 VanDerWaalsContact ND2-CB 3.33Å; N27-D150 WeakPolarHBondContact ND2-CB 3.39Å; N27-D150 PolarHBondContact ND2-OD2 3.29Å | ||
| 28 | L | 95.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -101.1 | 56.9 | 171.5 | -59.7 | -179.5 | 0 | 0 | 0 | 110 | V34 M55 P56 V57 D59 L62 T66 F76 | L28-V34 HydrophobicContact CD2-CG1 4.02Å; L28-V34 HydrophobicContact CD2-CG2 4.13Å; L28-M55 HydrophobicContact CD2-CE 3.46Å; L28-M55 VanDerWaalsContact CD2-CE 3.46Å; L28-M55 HydrophobicContact CD2-SD 4.28Å; L28-M55 HydrophobicContact CG-CB 4.3Å; L28-M55 HydrophobicContact CG-CE 4.47Å; L28-P56 PolarHBondContact N-O 2.9Å; L28-V57 HydrophobicContact CD1-CG1 4.49Å; L28-V57 HydrophobicContact CD1-CG2 4.07Å; L28-D59 PolarHBondContact O-N 3.42Å; L28-D59 VanDerWaalsContact O-N 3.14Å; L28-L62 HydrophobicContact CB-CB 4.06Å; L28-T66 HydrophobicContact CD2-CG2 4.41Å; L28-F76 HydrophobicContact CD1-CD1 4.35Å; L28-F76 HydrophobicContact CD1-CE1 4.13Å |
| 29 | F | 91.6 | Very high | 95.2 | Very high | 18 Ų | 18 | 19.8 Ų | 19.8 | 8% | 0.079 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -114.2 | 126.7 | 169.6 | 177.6 | -89 | 0 | 0 | 0 | 109.2 | N27 F58 M87 M90 F119 F149 | N27-F29 VanDerWaalsContact OD1-CB 3.28Å; N27-F29 WeakPolarHBondContact OD1-CB 3.31Å; N27-F29 PolarHBondContact OD1-N 3.45Å; F29-F58 HydrophobicContact CB-CB 4Å; F29-F58 HydrophobicContact CB-CD2 4.07Å; F29-F58 HydrophobicContact CB-CG 4Å; F29-F58 HydrophobicContact CD2-CB 4.28Å; F29-F58 HydrophobicContact CD2-CD1 4.29Å; F29-F58 HydrophobicContact CD2-CG 4.37Å; F29-M87 HydrophobicContact CD2-CE 3.72Å; F29-M87 HydrophobicContact CD2-SD 3.72Å; F29-M87 HydrophobicContact CE2-CE 3.72Å; F29-M87 HydrophobicContact CE2-SD 3.79Å; F29-M90 HydrophobicContact CE2-CE 4.26Å; F29-M90 HydrophobicContact CE2-CG 4.37Å; F29-M90 HydrophobicContact CZ-CE 4.34Å; F29-F119 HydrophobicContact CB-CZ 4.46Å; F29-F119 HydrophobicContact CD1-CE2 4.44Å; F29-F119 AromaticContact CD1-CZ 3.95Å; F29-F119 HydrophobicContact CD1-CZ 3.95Å; F29-F119 HydrophobicContact CD2-CE2 4.18Å; F29-F119 HydrophobicContact CD2-CZ 4.29Å; F29-F119 HydrophobicContact CE1-CE2 4.41Å; F29-F119 HydrophobicContact CE1-CZ 4.24Å; F29-F119 HydrophobicContact CE2-CE2 4.14Å; F29-F119 HydrophobicContact CG-CE2 4.32Å; F29-F119 AromaticContact CG-CZ 3.98Å; F29-F119 HydrophobicContact CG-CZ 3.98Å; F29-F119 HydrophobicContact CZ-CE2 4.26Å; F29-F149 AromaticContact CD1-CE1 3.7Å; F29-F149 HydrophobicContact CD1-CE1 3.7Å; F29-F149 HydrophobicContact CD1-CZ 4.44Å; F29-F149 AromaticContact CE1-CE1 3.53Å; F29-F149 HydrophobicContact CE1-CE1 3.53Å; F29-F149 AromaticContact CE1-CZ 3.85Å; F29-F149 HydrophobicContact CE1-CZ 3.85Å |
| 30 | G | 88.9 | Confident | 95.7 | Very high | 14 Ų | 14 | 17.1 Ų | 17.1 | 14% | 0.144 | 9% | 0.092 | C | C | . | . | trans | 64.9 | 104.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | S32 H33 V34 | G30-S32 PolarHBondContact O-N 2.97Å; G30-H33 PolarHBondContact O-N 3.14Å; G30-V34 PolarHBondContact O-N 3.11Å | ||
| 31 | H | 89.1 | Confident | 95.7 | Very high | 44 Ų | 44 | 15.4 Ų | 15.4 | 20% | 0.204 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -54.8 | -27.7 | -176.3 | -174.6 | -114.6 | 0 | 0 | 0 | 114.5 | K35 L62 S67 | H31-K35 WeakPolarHBondContact O-CB 3.5Å; H31-K35 PolarHBondContact O-N 3.11Å; H31-L62 HydrophobicContact CB-CD2 4Å; H31-S67 PolarHBondContact NE2-OG 3.19Å |
| 32 | S | 89.8 | Confident | 95.7 | Very high | 61 Ų | 61 | 13.9 Ų | 13.9 | 43% | 0.427 | 8% | 0.079 | S | C | . | . | H | α-helix | trans | -64.3 | -40.5 | 174.7 | 48.3 | 0 | 0 | 0 | 0 | 113.4 | G30 V36 | G30-S32 PolarHBondContact O-N 2.97Å; S32-V36 PolarHBondContact O-N 3.17Å |
| 33 | H | 93.6 | Very high | 95.7 | Very high | 28 Ų | 28 | 14.7 Ų | 14.7 | 13% | 0.13 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -68.5 | -50.3 | 177.8 | -66.9 | -108.6 | 0 | 0 | 0 | 109.8 | G30 K35 V36 L37 E147 F149 T170 | G30-H33 PolarHBondContact O-N 3.14Å; H33-K35 VanDerWaalsContact C-N 3.3Å; H33-K35 PolarHBondContact O-N 3.28Å; H33-V36 PolarHBondContact O-N 3.34Å; H33-V36 VanDerWaalsContact O-N 3.12Å; H33-L37 PolarHBondContact O-N 2.92Å; H33-L37 VanDerWaalsContact O-N 3.08Å; H33-E147 IonicContact CE1-OE1 2.58Å; H33-E147 IonicContact CE1-OE2 3.28Å; H33-E147 IonicContact CG-OE2 2.83Å; H33-E147 IonicContact ND1-OE1 3.45Å; H33-E147 PolarHBondContact ND1-OE1 3.41Å; H33-E147 IonicContact ND1-OE2 2.89Å; H33-E147 PolarHBondContact ND1-OE2 2.83Å; H33-F149 AromaticContact CE1-CD2 3.86Å; H33-F149 AromaticContact CE1-CG 3.91Å; H33-T170 HydrophobicContact CB-CG2 4.35Å; H33-T170 PolarHBondContact CE1-OG1 3.31Å; H33-T170 PolarHBondContact ND1-OG1 3.47Å |
| 34 | V | 94.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.006 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -53.8 | -44.7 | 177 | -179.6 | 0 | 0 | 0 | 0 | 111.4 | N27 L28 G30 V36 A38 L62 T66 | N27-V34 WeakPolarHBondContact O-CG2 3.34Å; L28-V34 HydrophobicContact CD2-CG1 4.02Å; L28-V34 HydrophobicContact CD2-CG2 4.13Å; G30-V34 PolarHBondContact O-N 3.11Å; V34-V36 VanDerWaalsContact C-N 3.35Å; V34-V36 PolarHBondContact O-N 3.44Å; V34-A38 WeakPolarHBondContact O-CB 3.39Å; V34-A38 PolarHBondContact O-N 3.37Å; V34-L62 HydrophobicContact CG2-CD1 4.46Å; V34-T66 VanDerWaalsContact CG1-O 3.26Å; V34-T66 WeakPolarHBondContact CG1-O 3.16Å |
| 35 | K | 94.2 | Very high | 95.7 | Very high | 67 Ų | 67 | 16.4 Ų | 16.4 | 29% | 0.291 | 9% | 0.094 | S | C | . | . | H | α-helix | trans | -61.1 | -39.6 | -179.5 | -173.8 | -174.1 | 175.3 | -170.4 | 0 | 112.7 | H31 H33 A39 E383 | H31-K35 WeakPolarHBondContact O-CB 3.5Å; H31-K35 PolarHBondContact O-N 3.11Å; H33-K35 VanDerWaalsContact C-N 3.3Å; H33-K35 PolarHBondContact O-N 3.28Å; K35-A39 WeakPolarHBondContact O-CB 3.46Å; K35-A39 PolarHBondContact O-N 3.46Å; K35-A39 VanDerWaalsContact O-N 3.14Å; K35-E383 IonicContact NZ-OE1 3.48Å; K35-E383 PolarHBondContact NZ-OE1 3.26Å |
| 36 | V | 95.7 | Very high | 95.6 | Very high | 9 Ų | 9 | 21.9 Ų | 21.9 | 6% | 0.055 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -75 | -46.3 | -178.6 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | S32 H33 V34 A39 A40 T170 | S32-V36 PolarHBondContact O-N 3.17Å; H33-V36 PolarHBondContact O-N 3.34Å; H33-V36 VanDerWaalsContact O-N 3.12Å; V34-V36 VanDerWaalsContact C-N 3.35Å; V34-V36 PolarHBondContact O-N 3.44Å; V36-A39 PolarHBondContact O-N 3.49Å; V36-A40 PolarHBondContact O-N 3.42Å; V36-T170 HydrophobicContact CB-CG2 3.68Å; V36-T170 HydrophobicContact CG1-CG2 3.83Å; V36-T170 HydrophobicContact CG2-CG2 4.43Å |
| 37 | L | 97.6 | Very high | 95.6 | Very high | 4 Ų | 4 | 23.9 Ų | 23.9 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.5 | -37.4 | 178.2 | -69 | 173.4 | 0 | 0 | 0 | 112.1 | L24 S26 H33 A40 A41 E147 I168 T170 | L24-L37 HydrophobicContact CD2-CB 4.3Å; S26-L37 WeakPolarHBondContact OG-CD1 3.21Å; H33-L37 PolarHBondContact O-N 2.92Å; H33-L37 VanDerWaalsContact O-N 3.08Å; L37-A40 PolarHBondContact O-N 2.91Å; L37-A41 PolarHBondContact O-N 2.91Å; L37-E147 HydrophobicContact CD1-CB 3.99Å; L37-E147 HydrophobicContact CD2-CB 4.4Å; L37-I168 HydrophobicContact CD2-CB 3.91Å; L37-I168 HydrophobicContact CD2-CD1 4.45Å; L37-I168 HydrophobicContact CD2-CG2 3.93Å; L37-T170 HydrophobicContact CD2-CG2 4.49Å; L37-T170 HydrophobicContact CG-CG2 4.04Å |
| 38 | A | 97.6 | Very high | 95.6 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 2% | 0.017 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.9 | -40.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V34 A40 A41 D42 T66 L68 | V34-A38 WeakPolarHBondContact O-CB 3.39Å; V34-A38 PolarHBondContact O-N 3.37Å; A38-A40 VanDerWaalsContact C-N 3.32Å; A38-A40 PolarHBondContact O-N 2.92Å; A38-A41 PolarHBondContact O-N 3.27Å; A38-D42 WeakPolarHBondContact O-CB 3.31Å; A38-D42 PolarHBondContact O-N 3.24Å; A38-T66 WeakPolarHBondContact CB-O 3.47Å; A38-L68 HydrophobicContact CB-CD2 3.66Å; A38-L68 HydrophobicContact CB-CG 4.03Å |
| 39 | A | 97.4 | Very high | 95.7 | Very high | 18 Ų | 18 | 25.7 Ų | 25.7 | 15% | 0.149 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.4 | -40.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | K35 V36 D42 I43 L275 | K35-A39 WeakPolarHBondContact O-CB 3.46Å; K35-A39 PolarHBondContact O-N 3.46Å; K35-A39 VanDerWaalsContact O-N 3.14Å; V36-A39 PolarHBondContact O-N 3.49Å; A39-D42 PolarHBondContact O-N 2.9Å; A39-I43 WeakPolarHBondContact O-CB 3.26Å; A39-I43 VanDerWaalsContact O-CD1 3.29Å; A39-I43 WeakPolarHBondContact O-CD1 3.43Å; A39-I43 WeakPolarHBondContact O-CG1 3.39Å; A39-I43 PolarHBondContact O-N 2.97Å; A39-L275 HydrophobicContact CB-CB 4.41Å |
| 40 | A | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.4 | -44.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | V36 L37 A38 I43 L44 I168 L275 L462 | V36-A40 PolarHBondContact O-N 3.42Å; L37-A40 PolarHBondContact O-N 2.91Å; A38-A40 VanDerWaalsContact C-N 3.32Å; A38-A40 PolarHBondContact O-N 2.92Å; A40-I43 PolarHBondContact O-N 3.49Å; A40-L44 VanDerWaalsContact O-CG 3.29Å; A40-L44 WeakPolarHBondContact O-CG 3.47Å; A40-L44 PolarHBondContact O-N 2.93Å; A40-L44 VanDerWaalsContact O-N 3.07Å; A40-I168 HydrophobicContact CB-CD1 3.67Å; A40-L275 HydrophobicContact CB-CD1 4.37Å; A40-L462 HydrophobicContact CB-CD2 3.8Å |
| 41 | A | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.4 | -48.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L24 L37 A38 L44 T45 V51 V53 L68 T71 | L24-A41 HydrophobicContact CD1-CB 4.1Å; L37-A41 PolarHBondContact O-N 2.91Å; A38-A41 PolarHBondContact O-N 3.27Å; A41-L44 PolarHBondContact O-N 3.43Å; A41-T45 WeakPolarHBondContact O-CB 3.5Å; A41-T45 PolarHBondContact O-N 3.06Å; A41-T45 PolarHBondContact O-OG1 3.38Å; A41-T45 VanDerWaalsContact O-OG1 3.05Å; A41-V51 HydrophobicContact CB-CG1 4.23Å; A41-V53 HydrophobicContact CB-CG2 3.94Å; A41-L68 HydrophobicContact CB-CD2 3.72Å; A41-T71 HydrophobicContact CB-CG2 4.41Å; A41-T71 PolarHBondContact O-OG1 3.43Å; A41-T71 VanDerWaalsContact O-OG1 3.14Å |
| 42 | D | 98.5 | Very high | 97 | Very high | 13 Ų | 13 | 25.8 Ų | 25.8 | 7% | 0.07 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.9 | -42 | 179.8 | -76.2 | -17.8 | 0 | 0 | 0 | 112 | A38 A39 L44 T45 D46 K69 S70 T71 | A38-D42 WeakPolarHBondContact O-CB 3.31Å; A38-D42 PolarHBondContact O-N 3.24Å; A39-D42 PolarHBondContact O-N 2.9Å; D42-L44 VanDerWaalsContact C-N 3.32Å; D42-L44 PolarHBondContact O-N 3.28Å; D42-T45 PolarHBondContact O-N 3.39Å; D42-D46 VanDerWaalsContact O-CB 3.29Å; D42-D46 WeakPolarHBondContact O-CB 3.07Å; D42-D46 PolarHBondContact O-N 3.49Å; D42-K69 VanDerWaalsContact CG-N 3.34Å; D42-K69 PolarHBondContact OD1-N 3.16Å; D42-K69 VanDerWaalsContact OD1-N 3.14Å; D42-K69 WeakPolarHBondContact OD2-CB 3.35Å; D42-K69 PolarHBondContact OD2-N 3.07Å; D42-S70 WeakPolarHBondContact CA-OG 3.26Å; D42-S70 WeakPolarHBondContact CB-OG 3.43Å; D42-S70 PolarHBondContact O-OG 2.91Å; D42-S70 PolarHBondContact OD1-N 3.44Å; D42-S70 PolarHBondContact OD1-OG 3.18Å; D42-T71 WeakPolarHBondContact CA-OG1 3.41Å; D42-T71 PolarHBondContact N-OG1 3.09Å; D42-T71 WeakPolarHBondContact OD1-CB 3.39Å; D42-T71 PolarHBondContact OD1-N 3.45Å; D42-T71 PolarHBondContact OD1-OG1 3.48Å |
| 43 | I | 98.1 | Very high | 97.4 | Very high | 17 Ų | 17 | 22.9 Ų | 22.9 | 9% | 0.087 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61 | -42.3 | 176.6 | -71.7 | 161.6 | 0 | 0 | 0 | 111.2 | A39 A40 A47 L275 K459 L462 I463 | A39-I43 WeakPolarHBondContact O-CB 3.26Å; A39-I43 VanDerWaalsContact O-CD1 3.29Å; A39-I43 WeakPolarHBondContact O-CD1 3.43Å; A39-I43 WeakPolarHBondContact O-CG1 3.39Å; A39-I43 PolarHBondContact O-N 2.97Å; A40-I43 PolarHBondContact O-N 3.49Å; I43-A47 WeakPolarHBondContact O-CB 3.32Å; I43-A47 PolarHBondContact O-N 2.9Å; I43-A47 VanDerWaalsContact O-N 3.07Å; I43-L275 HydrophobicContact CD1-CB 4.07Å; I43-L275 HydrophobicContact CD1-CD1 4.14Å; I43-L275 HydrophobicContact CD1-CD2 3.91Å; I43-L275 HydrophobicContact CD1-CG 4.26Å; I43-K459 HydrophobicContact CD1-CB 4.28Å; I43-K459 HydrophobicContact CD1-CD 4.09Å; I43-K459 HydrophobicContact CD1-CG 3.77Å; I43-K459 HydrophobicContact CG1-CD 4.23Å; I43-K459 HydrophobicContact CG1-CG 4.33Å; I43-K459 HydrophobicContact CG2-CB 4.14Å; I43-L462 HydrophobicContact CB-CD2 4.09Å; I43-L462 HydrophobicContact CD1-CD2 4.3Å; I43-L462 HydrophobicContact CG2-CD2 3.93Å; I43-I463 HydrophobicContact CG2-CD1 3.83Å; I43-I463 HydrophobicContact CG2-CG1 3.77Å |
| 44 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -69.1 | -40.8 | 178.6 | -68.6 | 170.4 | 0 | 0 | 0 | 111.8 | I22 A40 A41 D42 A47 G48 N49 V51 I145 L462 I463 V466 | I22-L44 HydrophobicContact CD1-CD1 4.29Å; A40-L44 VanDerWaalsContact O-CG 3.29Å; A40-L44 WeakPolarHBondContact O-CG 3.47Å; A40-L44 PolarHBondContact O-N 2.93Å; A40-L44 VanDerWaalsContact O-N 3.07Å; A41-L44 PolarHBondContact O-N 3.43Å; D42-L44 VanDerWaalsContact C-N 3.32Å; D42-L44 PolarHBondContact O-N 3.28Å; L44-A47 PolarHBondContact O-N 3.44Å; L44-G48 PolarHBondContact O-N 2.91Å; L44-N49 VanDerWaalsContact O-CB 3.31Å; L44-N49 WeakPolarHBondContact O-CB 3.42Å; L44-N49 PolarHBondContact O-N 3.32Å; L44-N49 VanDerWaalsContact O-N 3.09Å; L44-N49 PolarHBondContact O-ND2 2.98Å; L44-V51 HydrophobicContact CB-CG2 3.75Å; L44-I145 HydrophobicContact CD1-CD1 3.58Å; L44-L462 HydrophobicContact CD2-CG 4.34Å; L44-L462 HydrophobicContact CG-CD2 4.41Å; L44-I463 HydrophobicContact CD2-CG1 4.44Å; L44-V466 HydrophobicContact CD1-CG1 4.04Å; L44-V466 HydrophobicContact CD1-CG2 4.37Å; L44-V466 HydrophobicContact CD2-CB 3.84Å; L44-V466 HydrophobicContact CD2-CG1 3.63Å; L44-V466 HydrophobicContact CD2-CG2 4.16Å |
| 45 | T | 98.4 | Very high | 97.8 | Very high | 36 Ų | 36 | 21.6 Ų | 21.6 | 22% | 0.221 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.2 | -46.7 | 173.5 | -63.7 | 0 | 0 | 0 | 0 | 111.3 | A41 D42 A47 G48 V51 T71 | A41-T45 WeakPolarHBondContact O-CB 3.5Å; A41-T45 PolarHBondContact O-N 3.06Å; A41-T45 PolarHBondContact O-OG1 3.38Å; A41-T45 VanDerWaalsContact O-OG1 3.05Å; D42-T45 PolarHBondContact O-N 3.39Å; T45-A47 PolarHBondContact O-N 3.37Å; T45-G48 WeakPolarHBondContact O-CA 3.27Å; T45-G48 PolarHBondContact O-N 2.86Å; T45-V51 WeakPolarHBondContact OG1-CB 3.25Å; T45-V51 WeakPolarHBondContact OG1-CG2 3.36Å; T45-T71 PolarHBondContact OG1-OG1 2.87Å |
| 46 | D | 97.4 | Very high | 98 | Very high | 117 Ų | 117 | 18.4 Ų | 18.4 | 63% | 0.626 | 12% | 0.118 | S | C | * | . | H | α-helix | trans | -65.5 | -26.4 | 179.6 | -69 | -10 | 0 | 0 | 0 | 112.1 | D42 G48 S70 | D42-D46 VanDerWaalsContact O-CB 3.29Å; D42-D46 WeakPolarHBondContact O-CB 3.07Å; D42-D46 PolarHBondContact O-N 3.49Å; D46-G48 PolarHBondContact O-N 3.24Å; D46-S70 WeakPolarHBondContact OD1-CB 3.46Å; D46-S70 PolarHBondContact OD1-OG 3.35Å |
| 47 | A | 97.2 | Very high | 98 | Very high | 45 Ų | 45 | 18 Ų | 18 | 37% | 0.372 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -4 | 172 | 0 | 0 | 0 | 0 | 0 | 113.7 | I43 L44 T45 I463 | I43-A47 WeakPolarHBondContact O-CB 3.32Å; I43-A47 PolarHBondContact O-N 2.9Å; I43-A47 VanDerWaalsContact O-N 3.07Å; L44-A47 PolarHBondContact O-N 3.44Å; T45-A47 PolarHBondContact O-N 3.37Å; A47-I463 HydrophobicContact CB-CD1 3.68Å; A47-I463 HydrophobicContact CB-CG1 3.87Å; A47-I463 HydrophobicContact CB-CG2 4.02Å |
| 48 | G | 97 | Very high | 97.8 | Very high | 39 Ų | 39 | 17.8 Ų | 17.8 | 40% | 0.402 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 96.6 | 9.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115 | S19 L44 T45 D46 | S19-G48 WeakPolarHBondContact CB-O 3.45Å; S19-G48 PolarHBondContact OG-O 3.32Å; L44-G48 PolarHBondContact O-N 2.91Å; T45-G48 WeakPolarHBondContact O-CA 3.27Å; T45-G48 PolarHBondContact O-N 2.86Å; D46-G48 PolarHBondContact O-N 3.24Å |
| 49 | N | 98 | Very high | 97.5 | Very high | 7 Ų | 7 | 18.8 Ų | 18.8 | 4% | 0.037 | 12% | 0.12 | C | C | . | . | trans | -79.3 | 148.7 | 174 | -63.3 | -81.8 | 0 | 0 | 0 | 111.1 | Y20 I22 L44 V51 E467 | Y20-N49 WeakPolarHBondContact CB-OD1 3.2Å; Y20-N49 PolarHBondContact N-OD1 2.9Å; I22-N49 HydrophobicContact CD1-CB 3.86Å; L44-N49 VanDerWaalsContact O-CB 3.31Å; L44-N49 WeakPolarHBondContact O-CB 3.42Å; L44-N49 PolarHBondContact O-N 3.32Å; L44-N49 VanDerWaalsContact O-N 3.09Å; L44-N49 PolarHBondContact O-ND2 2.98Å; N49-V51 HydrophobicContact CB-CG2 4.22Å; N49-V51 PolarHBondContact O-N 3.37Å; N49-E467 PolarHBondContact ND2-OE1 2.92Å | ||
| 50 | N | 97.8 | Very high | 97.1 | Very high | 72 Ų | 72 | 21.5 Ų | 21.5 | 39% | 0.385 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 94.1 | 174.2 | -177.4 | -1.5 | 0 | 0 | 0 | 109.3 | S19 Y20 K21 I22 | S19-N50 PolarHBondContact OG-N 3.26Å; Y20-N50 PolarHBondContact O-N 3.46Å; K21-N50 CarbonylContact C-O 3.55Å; K21-N50 WeakPolarHBondContact CA-O 3.42Å; K21-N50 HydrophobicContact CG-CB 4.45Å; I22-N50 PolarHBondContact N-O 2.84Å |
| 51 | V | 98.6 | Very high | 96.6 | Very high | 5 Ų | 5 | 26.2 Ų | 26.2 | 3% | 0.03 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 124 | -176.1 | -174.2 | 0 | 0 | 0 | 0 | 110.9 | I22 L24 A41 L44 T45 N49 V53 T71 | I22-V51 HydrophobicContact CB-CG2 4.44Å; I22-V51 WeakPolarHBondContact O-CA 3.35Å; L24-V51 HydrophobicContact CB-CG1 4.45Å; A41-V51 HydrophobicContact CB-CG1 4.23Å; L44-V51 HydrophobicContact CB-CG2 3.75Å; T45-V51 WeakPolarHBondContact OG1-CB 3.25Å; T45-V51 WeakPolarHBondContact OG1-CG2 3.36Å; N49-V51 HydrophobicContact CB-CG2 4.22Å; N49-V51 PolarHBondContact O-N 3.37Å; V51-V53 HydrophobicContact CG1-CG2 4.17Å; V51-T71 HydrophobicContact CB-CG2 4.01Å; V51-T71 HydrophobicContact CG1-CG2 4.02Å |
| 52 | T | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 131 | 165.2 | -53.2 | 0 | 0 | 0 | 0 | 109.2 | I22 L23 L24 N73 I75 Y141 | I22-T52 PolarHBondContact O-N 3.5Å; L23-T52 HydrophobicContact CD1-CG2 4.39Å; L24-T52 PolarHBondContact N-O 3.39Å; T52-N73 CarbonylContact C-O 3.4Å; T52-N73 WeakPolarHBondContact CA-O 3.49Å; T52-N73 PolarHBondContact OG1-ND2 2.83Å; T52-I75 HydrophobicContact CG2-CD1 3.79Å; T52-I75 HydrophobicContact CG2-CG1 4.11Å; T52-Y141 VanDerWaalsContact CB-OH 3.23Å; T52-Y141 WeakPolarHBondContact CB-OH 3.43Å; T52-Y141 WeakPolarHBondContact CG2-OH 3.36Å; T52-Y141 WeakPolarHBondContact OG1-CE1 3.37Å; T52-Y141 PolarHBondContact OG1-OH 3.09Å |
| 53 | V | 98.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 117.7 | 174.9 | -167.5 | 0 | 0 | 0 | 0 | 110.3 | L24 A41 V51 M55 L68 T71 N73 T74 I75 | L24-V53 HydrophobicContact CB-CG2 4.45Å; L24-V53 HydrophobicContact CD2-CG1 3.91Å; L24-V53 CarbonylContact O-C 3.52Å; L24-V53 VanDerWaalsContact O-CA 3.28Å; L24-V53 WeakPolarHBondContact O-CA 3.5Å; A41-V53 HydrophobicContact CB-CG2 3.94Å; V51-V53 HydrophobicContact CG1-CG2 4.17Å; V53-M55 HydrophobicContact CB-CG 4.3Å; V53-M55 HydrophobicContact CG1-CE 4.23Å; V53-M55 HydrophobicContact CG1-CG 3.6Å; V53-M55 HydrophobicContact CG1-SD 4.16Å; V53-L68 HydrophobicContact CB-CD1 4.36Å; V53-L68 HydrophobicContact CG2-CD1 4.22Å; V53-L68 HydrophobicContact CG2-CD2 4.25Å; V53-T71 HydrophobicContact CG2-CG2 3.72Å; V53-N73 PolarHBondContact N-O 3.13Å; V53-T74 HydrophobicContact CB-CG2 4.49Å; V53-T74 CarbonylContact O-C 3.59Å; V53-T74 VanDerWaalsContact O-CA 3.32Å; V53-T74 WeakPolarHBondContact O-CA 3.38Å; V53-I75 PolarHBondContact O-N 2.81Å |
| 54 | L | 98.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 121.6 | 169.2 | 175.1 | 59.9 | 0 | 0 | 0 | 109.2 | L23 L24 Y25 S26 P56 I75 V77 V126 L132 L136 L156 | L23-L54 HydrophobicContact CD1-CB 4.3Å; L24-L54 PolarHBondContact O-N 3.41Å; Y25-L54 HydrophobicContact CD2-CD2 3.83Å; Y25-L54 HydrophobicContact CD2-CG 4.19Å; Y25-L54 HydrophobicContact CE2-CD2 4.07Å; Y25-L54 HydrophobicContact CE2-CG 4.47Å; S26-L54 PolarHBondContact N-O 2.84Å; L54-P56 WeakPolarHBondContact O-CD 3.36Å; L54-I75 CarbonylContact C-O 3.54Å; L54-I75 WeakPolarHBondContact CA-O 3.28Å; L54-I75 HydrophobicContact CD1-CB 3.9Å; L54-I75 HydrophobicContact CD1-CG2 3.68Å; L54-V77 HydrophobicContact CD1-CG2 3.84Å; L54-V126 HydrophobicContact CD2-CG1 4.46Å; L54-L132 HydrophobicContact CD1-CD1 4.31Å; L54-L132 HydrophobicContact CD1-CD2 4.26Å; L54-L132 HydrophobicContact CD2-CD2 4.3Å; L54-L136 HydrophobicContact CD2-CD1 4.02Å; L54-L156 HydrophobicContact CD2-CD2 3.47Å; L54-L156 VanDerWaalsContact CD2-CD2 3.47Å |
| 55 | M | 98.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 85.1 | -171.4 | -55.5 | -167.4 | 101 | 0 | 0 | 112.3 | S26 L28 V53 V57 T66 L68 T74 I75 F76 V77 | S26-M55 VanDerWaalsContact O-CA 3.29Å; S26-M55 WeakPolarHBondContact O-CA 3.25Å; L28-M55 HydrophobicContact CD2-CE 3.46Å; L28-M55 VanDerWaalsContact CD2-CE 3.46Å; L28-M55 HydrophobicContact CD2-SD 4.28Å; L28-M55 HydrophobicContact CG-CB 4.3Å; L28-M55 HydrophobicContact CG-CE 4.47Å; V53-M55 HydrophobicContact CB-CG 4.3Å; V53-M55 HydrophobicContact CG1-CE 4.23Å; V53-M55 HydrophobicContact CG1-CG 3.6Å; V53-M55 HydrophobicContact CG1-SD 4.16Å; M55-V57 PolarHBondContact O-N 3.4Å; M55-T66 HydrophobicContact CE-CG2 4.08Å; M55-T66 HydrophobicContact SD-CG2 3.71Å; M55-L68 HydrophobicContact CE-CD1 4.13Å; M55-L68 HydrophobicContact SD-CD1 3.83Å; M55-T74 HydrophobicContact SD-CG2 4.38Å; M55-I75 PolarHBondContact N-O 3.29Å; M55-F76 HydrophobicContact CB-CD1 3.82Å; M55-F76 HydrophobicContact CB-CE1 3.94Å; M55-F76 HydrophobicContact CG-CE1 4.43Å; M55-F76 WeakPolarHBondContact O-CA 3.43Å; M55-F76 HydrophobicContact SD-CE1 3.88Å; M55-F76 HydrophobicContact SD-CZ 4.21Å; M55-V77 PolarHBondContact O-N 3.34Å |
| 56 | P | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 127.5 | 166.3 | -21.4 | 30.6 | 0 | 0 | 0 | 111.3 | Y25 N27 L28 L54 F58 V77 Q122 V126 | Y25-P56 HydrophobicContact CE1-CG 4.28Å; Y25-P56 HydrophobicContact CE2-CG 3.79Å; Y25-P56 WeakPolarHBondContact OH-CG 3.31Å; N27-P56 CarbonylContact C-O 3.58Å; N27-P56 WeakPolarHBondContact CA-O 3.34Å; N27-P56 HydrophobicContact CB-CB 4.19Å; N27-P56 HydrophobicContact CB-CG 4.37Å; L28-P56 PolarHBondContact N-O 2.9Å; L54-P56 WeakPolarHBondContact O-CD 3.36Å; P56-F58 PolarHBondContact O-N 3.37Å; P56-V77 CarbonylContact C-O 3.53Å; P56-V77 WeakPolarHBondContact CA-O 3.33Å; P56-Q122 HydrophobicContact CB-CG 4.07Å; P56-V126 HydrophobicContact CB-CG2 3.62Å; P56-V126 HydrophobicContact CG-CG2 3.55Å |
| 57 | V | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -90.2 | 107.1 | -176.2 | -174 | 0 | 0 | 0 | 0 | 109 | L28 M55 R63 F76 V77 A79 | L28-V57 HydrophobicContact CD1-CG1 4.49Å; L28-V57 HydrophobicContact CD1-CG2 4.07Å; M55-V57 PolarHBondContact O-N 3.4Å; V57-R63 HydrophobicContact CG1-CB 4.45Å; V57-R63 VanDerWaalsContact CG2-CD 3.5Å; V57-F76 HydrophobicContact CG2-CD1 4.2Å; V57-V77 WeakPolarHBondContact CG2-O 3.38Å; V57-V77 PolarHBondContact N-O 2.88Å; V57-A79 VanDerWaalsContact O-CA 3.22Å; V57-A79 WeakPolarHBondContact O-CA 3.48Å; V57-A79 WeakPolarHBondContact O-CB 3.24Å; V57-A79 PolarHBondContact O-N 2.92Å | ||
| 58 | F | 93.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -89.6 | -55.6 | 168.7 | -79.4 | -103.1 | 0 | 0 | 0 | 110.5 | N27 F29 P56 V83 M87 F119 Q122 | N27-F58 HydrophobicContact CB-CD2 3.75Å; N27-F58 HydrophobicContact CB-CE2 3.62Å; F29-F58 HydrophobicContact CB-CB 4Å; F29-F58 HydrophobicContact CB-CD2 4.07Å; F29-F58 HydrophobicContact CB-CG 4Å; F29-F58 HydrophobicContact CD2-CB 4.28Å; F29-F58 HydrophobicContact CD2-CD1 4.29Å; F29-F58 HydrophobicContact CD2-CG 4.37Å; P56-F58 PolarHBondContact O-N 3.37Å; F58-V83 HydrophobicContact CB-CG1 4.44Å; F58-V83 HydrophobicContact CD1-CG1 4.04Å; F58-V83 HydrophobicContact CG-CG1 4.46Å; F58-M87 HydrophobicContact CB-CG 4.44Å; F58-M87 HydrophobicContact CB-SD 4.17Å; F58-M87 HydrophobicContact CD1-SD 4.37Å; F58-M87 WeakPolarHBondContact O-CG 3.48Å; F58-F119 HydrophobicContact CE1-CD1 4.39Å; F58-F119 AromaticContact CE1-CD2 3.89Å; F58-F119 HydrophobicContact CE1-CD2 3.89Å; F58-F119 HydrophobicContact CE1-CE2 4.06Å; F58-F119 HydrophobicContact CE1-CG 4.06Å; F58-F119 HydrophobicContact CE1-CZ 4.36Å; F58-F119 AromaticContact CZ-CD1 3.9Å; F58-F119 HydrophobicContact CZ-CD1 3.9Å; F58-F119 HydrophobicContact CZ-CD2 4.23Å; F58-F119 HydrophobicContact CZ-CE1 4.06Å; F58-F119 HydrophobicContact CZ-CE2 4.38Å; F58-F119 AromaticContact CZ-CG 3.98Å; F58-F119 HydrophobicContact CZ-CG 3.98Å; F58-F119 HydrophobicContact CZ-CZ 4.27Å; F58-Q122 HydrophobicContact CD1-CB 4.27Å; F58-Q122 HydrophobicContact CD1-CG 4.43Å; F58-Q122 HydrophobicContact CD2-CB 4.48Å; F58-Q122 HydrophobicContact CD2-CG 3.86Å; F58-Q122 HydrophobicContact CE1-CB 3.62Å; F58-Q122 HydrophobicContact CE1-CG 4.07Å; F58-Q122 HydrophobicContact CE2-CB 3.89Å; F58-Q122 HydrophobicContact CE2-CG 3.46Å; F58-Q122 VanDerWaalsContact CE2-CG 3.46Å; F58-Q122 HydrophobicContact CG-CG 4.35Å; F58-Q122 HydrophobicContact CZ-CB 3.42Å; F58-Q122 VanDerWaalsContact CZ-CB 3.42Å; F58-Q122 HydrophobicContact CZ-CG 3.59Å |
| 59 | D | 90 | Very high | 94.7 | Very high | 24 Ų | 24 | 41.4 Ų | 41.4 | 13% | 0.128 | 21% | 0.208 | C | C | . | . | trans | -101.7 | 113.2 | 179 | -172.2 | -8.3 | 0 | 0 | 0 | 110.7 | L28 N61 L62 M87 | L28-D59 PolarHBondContact O-N 3.42Å; L28-D59 VanDerWaalsContact O-N 3.14Å; D59-N61 PolarHBondContact O-N 2.98Å; D59-N61 VanDerWaalsContact O-N 3.12Å; D59-N61 WeakPolarHBondContact OD1-CB 3.31Å; D59-N61 PolarHBondContact OD1-N 2.83Å; D59-N61 PolarHBondContact OD1-ND2 3.44Å; D59-L62 HydrophobicContact CB-CB 4.49Å; D59-L62 HydrophobicContact CB-CD1 4.19Å; D59-L62 HydrophobicContact CB-CG 4.09Å; D59-L62 WeakPolarHBondContact O-CB 3.48Å; D59-L62 PolarHBondContact O-N 2.9Å; D59-M87 HydrophobicContact CB-CE 4.28Å | ||
| 60 | N | 89.5 | Confident | 94.6 | Very high | 74 Ų | 74 | 42.8 Ų | 42.8 | 40% | 0.396 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -57.9 | -25.9 | 176.5 | -76.9 | -54.8 | 0 | 0 | 0 | 113 | L62 R63 E84 | N60-L62 PolarHBondContact O-N 2.97Å; N60-R63 VanDerWaalsContact O-CB 3.26Å; N60-R63 WeakPolarHBondContact O-CB 3.45Å; N60-R63 PolarHBondContact O-N 3.17Å; N60-E84 PolarHBondContact ND2-OE2 2.72Å |
| 61 | N | 87.2 | Confident | 94.7 | Very high | 100 Ų | 100 | 39.5 Ų | 39.5 | 54% | 0.535 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -66.5 | -19.7 | 175.5 | -60.4 | -61.7 | 0 | 0 | 0 | 113 | D59 | D59-N61 PolarHBondContact O-N 2.98Å; D59-N61 VanDerWaalsContact O-N 3.12Å; D59-N61 WeakPolarHBondContact OD1-CB 3.31Å; D59-N61 PolarHBondContact OD1-N 2.83Å; D59-N61 PolarHBondContact OD1-ND2 3.44Å |
| 62 | L | 89.9 | Confident | 94.6 | Very high | 14 Ų | 14 | 46.9 Ų | 46.9 | 7% | 0.073 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -95.7 | -8.7 | 178.1 | -60.1 | -175.5 | 0 | 0 | 0 | 113.1 | L28 H31 V34 D59 N60 N64 K65 | L28-L62 HydrophobicContact CB-CB 4.06Å; H31-L62 HydrophobicContact CB-CD2 4Å; V34-L62 HydrophobicContact CG2-CD1 4.46Å; D59-L62 HydrophobicContact CB-CB 4.49Å; D59-L62 HydrophobicContact CB-CD1 4.19Å; D59-L62 HydrophobicContact CB-CG 4.09Å; D59-L62 WeakPolarHBondContact O-CB 3.48Å; D59-L62 PolarHBondContact O-N 2.9Å; N60-L62 PolarHBondContact O-N 2.97Å; L62-N64 PolarHBondContact O-N 3.03Å; L62-N64 VanDerWaalsContact O-N 3.09Å; L62-K65 HydrophobicContact CD2-CB 4.45Å; L62-K65 CarbonylContact O-C 3.52Å; L62-K65 WeakPolarHBondContact O-CA 3.48Å; L62-K65 PolarHBondContact O-N 3.4Å |
| 63 | R | 92 | Very high | 94.6 | Very high | 63 Ų | 63 | 50.4 Ų | 50.4 | 24% | 0.238 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -35.1 | -177.5 | -175.7 | 60.6 | 178 | 76.2 | -1.5 | 114.1 | V57 N60 F76 E78 | V57-R63 HydrophobicContact CG1-CB 4.45Å; V57-R63 VanDerWaalsContact CG2-CD 3.5Å; N60-R63 VanDerWaalsContact O-CB 3.26Å; N60-R63 WeakPolarHBondContact O-CB 3.45Å; N60-R63 PolarHBondContact O-N 3.17Å; R63-F76 VanDerWaalsContact CZ-CD1 3.45Å; R63-F76 VanDerWaalsContact NH1-CZ 3.3Å; R63-F76 VanDerWaalsContact NH2-CD2 3.35Å; R63-F76 VanDerWaalsContact NH2-CG 3.29Å; R63-E78 IonicContact CZ-OE1 3.63Å; R63-E78 IonicContact NE-OE1 3.21Å; R63-E78 PolarHBondContact NE-OE1 3.43Å; R63-E78 IonicContact NE-OE2 3.86Å; R63-E78 IonicContact NH2-OE1 3.73Å; R63-E78 PolarHBondContact NH2-OE1 3.26Å |
| 64 | N | 91.6 | Very high | 94.5 | Very high | 150 Ų | 150 | 52.7 Ų | 52.7 | 80% | 0.802 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | 8.6 | 177.8 | -64.7 | -34.4 | 0 | 0 | 0 | 113.2 | L62 | L62-N64 PolarHBondContact O-N 3.03Å; L62-N64 VanDerWaalsContact O-N 3.09Å |
| 65 | K | 90.1 | Very high | 94.5 | Very high | 128 Ų | 128 | 53.8 Ų | 53.8 | 56% | 0.557 | 27% | 0.271 | S | S | * | . | trans | -125.9 | 50 | -177.9 | -61.4 | -179.7 | -178.7 | 174 | 0 | 111 | L62 S67 | L62-K65 HydrophobicContact CD2-CB 4.45Å; L62-K65 CarbonylContact O-C 3.52Å; L62-K65 WeakPolarHBondContact O-CA 3.48Å; L62-K65 PolarHBondContact O-N 3.4Å; K65-S67 PolarHBondContact O-N 3.22Å; K65-S67 VanDerWaalsContact O-N 3.16Å | ||
| 66 | T | 94.1 | Very high | 94.5 | Very high | 25 Ų | 25 | 56.2 Ų | 56.2 | 15% | 0.153 | 28% | 0.281 | C | S | . | . | trans | -67.6 | -12.2 | -178.1 | 62.4 | 0 | 0 | 0 | 0 | 114.1 | L28 V34 A38 M55 L68 F76 | L28-T66 HydrophobicContact CD2-CG2 4.41Å; V34-T66 VanDerWaalsContact CG1-O 3.26Å; V34-T66 WeakPolarHBondContact CG1-O 3.16Å; A38-T66 WeakPolarHBondContact CB-O 3.47Å; M55-T66 HydrophobicContact CE-CG2 4.08Å; M55-T66 HydrophobicContact SD-CG2 3.71Å; T66-L68 PolarHBondContact O-N 3.15Å; T66-L68 PolarHBondContact OG1-N 2.91Å; T66-F76 HydrophobicContact CG2-CE1 3.91Å; T66-F76 HydrophobicContact CG2-CZ 3.88Å | ||
| 67 | S | 93.9 | Very high | 94.5 | Very high | 39 Ų | 39 | 56.3 Ų | 56.3 | 27% | 0.273 | 28% | 0.282 | S | S | . | . | trans | 61.7 | -4.7 | -172.4 | -64.5 | 0 | 0 | 0 | 0 | 116.2 | H31 K65 | H31-S67 PolarHBondContact NE2-OG 3.19Å; K65-S67 PolarHBondContact O-N 3.22Å; K65-S67 VanDerWaalsContact O-N 3.16Å | ||
| 68 | L | 97 | Very high | 94.5 | Very high | 24 Ų | 24 | 60.2 Ų | 60.2 | 13% | 0.126 | 30% | 0.3 | C | S | . | . | trans | -68.9 | 138.6 | 175.8 | -62.8 | 168.7 | 0 | 0 | 0 | 110.9 | A38 A41 V53 M55 T66 T74 | A38-L68 HydrophobicContact CB-CD2 3.66Å; A38-L68 HydrophobicContact CB-CG 4.03Å; A41-L68 HydrophobicContact CB-CD2 3.72Å; V53-L68 HydrophobicContact CB-CD1 4.36Å; V53-L68 HydrophobicContact CG2-CD1 4.22Å; V53-L68 HydrophobicContact CG2-CD2 4.25Å; M55-L68 HydrophobicContact CE-CD1 4.13Å; M55-L68 HydrophobicContact SD-CD1 3.83Å; T66-L68 PolarHBondContact O-N 3.15Å; T66-L68 PolarHBondContact OG1-N 2.91Å; L68-T74 HydrophobicContact CD1-CG2 3.49Å; L68-T74 VanDerWaalsContact CD1-CG2 3.49Å | ||
| 69 | K | 95.9 | Very high | 94.6 | Very high | 142 Ų | 142 | 61.6 Ų | 61.6 | 62% | 0.617 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -120.5 | -55.8 | -178.8 | -63 | 174.6 | -174.2 | 164.5 | 0 | 111.9 | D42 K72 | D42-K69 VanDerWaalsContact CG-N 3.34Å; D42-K69 PolarHBondContact OD1-N 3.16Å; D42-K69 VanDerWaalsContact OD1-N 3.14Å; D42-K69 WeakPolarHBondContact OD2-CB 3.35Å; D42-K69 PolarHBondContact OD2-N 3.07Å; K69-K72 VanDerWaalsContact O-CE 3.3Å; K69-K72 WeakPolarHBondContact O-CE 3.43Å; K69-K72 PolarHBondContact O-NZ 3.37Å |
| 70 | S | 97.3 | Very high | 94.7 | Very high | 36 Ų | 36 | 60.9 Ų | 60.9 | 25% | 0.252 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -97.1 | -31.1 | -177.2 | 53.5 | 0 | 0 | 0 | 0 | 112.2 | D42 D46 K72 | D42-S70 WeakPolarHBondContact CA-OG 3.26Å; D42-S70 WeakPolarHBondContact CB-OG 3.43Å; D42-S70 PolarHBondContact O-OG 2.91Å; D42-S70 PolarHBondContact OD1-N 3.44Å; D42-S70 PolarHBondContact OD1-OG 3.18Å; D46-S70 WeakPolarHBondContact OD1-CB 3.46Å; D46-S70 PolarHBondContact OD1-OG 3.35Å; S70-K72 PolarHBondContact O-N 2.95Å |
| 71 | T | 98.1 | Very high | 94.6 | Very high | 4 Ų | 4 | 61.4 Ų | 61.4 | 3% | 0.025 | 32% | 0.317 | C | S | . | . | trans | -72.6 | 114.8 | 175.7 | -43.8 | 0 | 0 | 0 | 0 | 110.5 | A41 D42 T45 V51 V53 | A41-T71 HydrophobicContact CB-CG2 4.41Å; A41-T71 PolarHBondContact O-OG1 3.43Å; A41-T71 VanDerWaalsContact O-OG1 3.14Å; D42-T71 WeakPolarHBondContact CA-OG1 3.41Å; D42-T71 PolarHBondContact N-OG1 3.09Å; D42-T71 WeakPolarHBondContact OD1-CB 3.39Å; D42-T71 PolarHBondContact OD1-N 3.45Å; D42-T71 PolarHBondContact OD1-OG1 3.48Å; T45-T71 PolarHBondContact OG1-OG1 2.87Å; V51-T71 HydrophobicContact CB-CG2 4.01Å; V51-T71 HydrophobicContact CG1-CG2 4.02Å; V53-T71 HydrophobicContact CG2-CG2 3.72Å | ||
| 72 | K | 97.4 | Very high | 94.7 | Very high | 159 Ų | 159 | 61.1 Ų | 61.1 | 69% | 0.691 | 32% | 0.316 | S | S | * | . | trans | -106.5 | -21.1 | -177.1 | -57.7 | -50.2 | -173.3 | -175.7 | 0 | 114.5 | K69 S70 T74 | K69-K72 VanDerWaalsContact O-CE 3.3Å; K69-K72 WeakPolarHBondContact O-CE 3.43Å; K69-K72 PolarHBondContact O-NZ 3.37Å; S70-K72 PolarHBondContact O-N 2.95Å; K72-T74 PolarHBondContact O-N 2.81Å | ||
| 73 | N | 97.8 | Very high | 94.7 | Very high | 75 Ų | 75 | 60.5 Ų | 60.5 | 40% | 0.401 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 91.6 | -177.9 | -170.3 | 16.3 | 0 | 0 | 0 | 110.1 | T52 V53 | T52-N73 CarbonylContact C-O 3.4Å; T52-N73 WeakPolarHBondContact CA-O 3.49Å; T52-N73 PolarHBondContact OG1-ND2 2.83Å; V53-N73 PolarHBondContact N-O 3.13Å |
| 74 | T | 98 | Very high | 94.6 | Very high | 48 Ų | 48 | 60.6 Ų | 60.6 | 29% | 0.294 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 135.4 | -177.8 | 56.7 | 0 | 0 | 0 | 0 | 111.1 | V53 M55 L68 K72 F76 | V53-T74 HydrophobicContact CB-CG2 4.49Å; V53-T74 CarbonylContact O-C 3.59Å; V53-T74 VanDerWaalsContact O-CA 3.32Å; V53-T74 WeakPolarHBondContact O-CA 3.38Å; M55-T74 HydrophobicContact SD-CG2 4.38Å; L68-T74 HydrophobicContact CD1-CG2 3.49Å; L68-T74 VanDerWaalsContact CD1-CG2 3.49Å; K72-T74 PolarHBondContact O-N 2.81Å; T74-F76 WeakPolarHBondContact OG1-CE2 3.42Å |
| 75 | I | 98.3 | Very high | 94.6 | Very high | 23 Ų | 23 | 59.6 Ų | 59.6 | 12% | 0.118 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 122.3 | 171.7 | -58 | 172.1 | 0 | 0 | 0 | 106.9 | T52 V53 L54 M55 L132 L136 | T52-I75 HydrophobicContact CG2-CD1 3.79Å; T52-I75 HydrophobicContact CG2-CG1 4.11Å; V53-I75 PolarHBondContact O-N 2.81Å; L54-I75 CarbonylContact C-O 3.54Å; L54-I75 WeakPolarHBondContact CA-O 3.28Å; L54-I75 HydrophobicContact CD1-CB 3.9Å; L54-I75 HydrophobicContact CD1-CG2 3.68Å; M55-I75 PolarHBondContact N-O 3.29Å; I75-L132 HydrophobicContact CG2-CD1 3.9Å; I75-L136 HydrophobicContact CD1-CD2 3.97Å |
| 76 | F | 98.1 | Very high | 94.6 | Very high | 53 Ų | 53 | 54.9 Ų | 54.9 | 23% | 0.232 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 140 | 175.2 | -65.4 | -84.9 | 0 | 0 | 0 | 110.1 | L28 M55 V57 R63 T66 T74 | L28-F76 HydrophobicContact CD1-CD1 4.35Å; L28-F76 HydrophobicContact CD1-CE1 4.13Å; M55-F76 HydrophobicContact CB-CD1 3.82Å; M55-F76 HydrophobicContact CB-CE1 3.94Å; M55-F76 HydrophobicContact CG-CE1 4.43Å; M55-F76 WeakPolarHBondContact O-CA 3.43Å; M55-F76 HydrophobicContact SD-CE1 3.88Å; M55-F76 HydrophobicContact SD-CZ 4.21Å; V57-F76 HydrophobicContact CG2-CD1 4.2Å; R63-F76 VanDerWaalsContact CZ-CD1 3.45Å; R63-F76 VanDerWaalsContact NH1-CZ 3.3Å; R63-F76 VanDerWaalsContact NH2-CD2 3.35Å; R63-F76 VanDerWaalsContact NH2-CG 3.29Å; T66-F76 HydrophobicContact CG2-CE1 3.91Å; T66-F76 HydrophobicContact CG2-CZ 3.88Å; T74-F76 WeakPolarHBondContact OG1-CE2 3.42Å |
| 77 | V | 98.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 114.5 | 164.6 | 178.6 | 0 | 0 | 0 | 0 | 106.4 | L54 M55 P56 V57 K125 V126 E129 L132 | L54-V77 HydrophobicContact CD1-CG2 3.84Å; M55-V77 PolarHBondContact O-N 3.34Å; P56-V77 CarbonylContact C-O 3.53Å; P56-V77 WeakPolarHBondContact CA-O 3.33Å; V57-V77 WeakPolarHBondContact CG2-O 3.38Å; V57-V77 PolarHBondContact N-O 2.88Å; V77-K125 HydrophobicContact CG1-CG 3.97Å; V77-V126 HydrophobicContact CB-CG2 4.14Å; V77-V126 HydrophobicContact CG1-CG2 3.97Å; V77-V126 HydrophobicContact CG2-CG2 4.44Å; V77-E129 HydrophobicContact CG1-CB 4.38Å; V77-E129 HydrophobicContact CG1-CG 4.4Å; V77-E129 HydrophobicContact CG2-CB 4.44Å; V77-E129 HydrophobicContact CG2-CG 4.22Å; V77-L132 HydrophobicContact CG2-CD2 3.72Å |
| 78 | E | 96.6 | Very high | 94 | Very high | 83 Ų | 83 | 54.9 Ų | 54.9 | 39% | 0.388 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 162.2 | -176.9 | -57.4 | -57.6 | 151.3 | 0 | 0 | 111.5 | R63 Q122 K125 | R63-E78 IonicContact CZ-OE1 3.63Å; R63-E78 IonicContact NE-OE1 3.21Å; R63-E78 PolarHBondContact NE-OE1 3.43Å; R63-E78 IonicContact NE-OE2 3.86Å; R63-E78 IonicContact NH2-OE1 3.73Å; R63-E78 PolarHBondContact NH2-OE1 3.26Å; E78-Q122 PolarHBondContact O-NE2 2.89Å; E78-K125 WeakPolarHBondContact O-CG 3.25Å |
| 79 | A | 95.4 | Very high | 93.6 | Very high | 29 Ų | 29 | 57.9 Ų | 57.9 | 24% | 0.24 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -55.7 | 138.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V57 V83 | V57-A79 VanDerWaalsContact O-CA 3.22Å; V57-A79 WeakPolarHBondContact O-CA 3.48Å; V57-A79 WeakPolarHBondContact O-CB 3.24Å; V57-A79 PolarHBondContact O-N 2.92Å; A79-V83 HydrophobicContact CB-CB 4.23Å; A79-V83 HydrophobicContact CB-CG1 4.3Å |
| 80 | G | 91.7 | Very high | 93.1 | Very high | 9 Ų | 9 | 51.8 Ų | 51.8 | 9% | 0.093 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 169.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V83 | G80-V83 PolarHBondContact O-N 3.12Š|
| 81 | P | 87.9 | Confident | 92.7 | Very high | 84 Ų | 84 | 53.9 Ų | 53.9 | 55% | 0.545 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 145.1 | 169 | -18.8 | 31.1 | 0 | 0 | 0 | 110.3 | V83 E121 | P81-V83 PolarHBondContact O-N 3.3Å; P81-E121 WeakPolarHBondContact CB-OE1 3.43Å; P81-E121 WeakPolarHBondContact O-CG 3.39Å; P81-E121 VanDerWaalsContact O-OE1 3.08Å |
| 82 | N | 89.4 | Confident | 92.1 | Very high | 95 Ų | 95 | 58.9 Ų | 58.9 | 51% | 0.508 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | -9.9 | 177.3 | -42.7 | -45.3 | 0 | 0 | 0 | 117.2 | E84 E85 L86 | N82-E84 VanDerWaalsContact C-N 3.29Å; N82-E84 PolarHBondContact O-N 2.87Å; N82-E85 WeakPolarHBondContact O-CB 3.46Å; N82-E85 PolarHBondContact O-N 2.88Å; N82-E85 VanDerWaalsContact O-N 3.07Å; N82-L86 WeakPolarHBondContact O-CG 3.35Å; N82-L86 PolarHBondContact O-N 2.91Å |
| 83 | V | 90.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.6 | -38.5 | -178.9 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | F58 A79 G80 P81 E85 L86 M87 E121 Q122 | F58-V83 HydrophobicContact CB-CG1 4.44Å; F58-V83 HydrophobicContact CD1-CG1 4.04Å; F58-V83 HydrophobicContact CG-CG1 4.46Å; A79-V83 HydrophobicContact CB-CB 4.23Å; A79-V83 HydrophobicContact CB-CG1 4.3Å; G80-V83 PolarHBondContact O-N 3.12Å; P81-V83 PolarHBondContact O-N 3.3Å; V83-E85 PolarHBondContact O-N 2.71Å; V83-L86 PolarHBondContact O-N 3.33Å; V83-M87 HydrophobicContact CG1-CG 4.31Å; V83-M87 WeakPolarHBondContact O-CB 3.24Å; V83-M87 VanDerWaalsContact O-CG 3.26Å; V83-M87 WeakPolarHBondContact O-CG 3.42Å; V83-M87 PolarHBondContact O-N 2.99Å; V83-E121 HydrophobicContact CG2-CB 4.15Å; V83-E121 HydrophobicContact CG2-CG 3.84Å; V83-Q122 HydrophobicContact CG2-CB 4.24Å |
| 84 | E | 89.3 | Confident | 91.1 | Very high | 66 Ų | 66 | 51.4 Ų | 51.4 | 31% | 0.308 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.8 | -36.4 | 175.9 | -175.2 | 60.4 | -126.7 | 0 | 0 | 112.7 | N60 N82 M87 S88 R91 | N60-E84 PolarHBondContact ND2-OE2 2.72Å; N82-E84 VanDerWaalsContact C-N 3.29Å; N82-E84 PolarHBondContact O-N 2.87Å; E84-M87 PolarHBondContact O-N 3.21Å; E84-S88 PolarHBondContact O-N 3.41Å; E84-R91 IonicContact OE1-CZ 2.93Å; E84-R91 IonicContact OE1-NH1 2.99Å; E84-R91 PolarHBondContact OE1-NH1 3.43Å; E84-R91 IonicContact OE1-NH2 3.09Å; E84-R91 PolarHBondContact OE1-NH2 3.41Å |
| 85 | E | 90.4 | Very high | 90.7 | Very high | 128 Ų | 128 | 49.8 Ų | 49.8 | 60% | 0.598 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -65.4 | -47.2 | 174.8 | -176.7 | 176.1 | -176.3 | 0 | 0 | 110.4 | N82 V83 M87 S88 D89 | N82-E85 WeakPolarHBondContact O-CB 3.46Å; N82-E85 PolarHBondContact O-N 2.88Å; N82-E85 VanDerWaalsContact O-N 3.07Å; V83-E85 PolarHBondContact O-N 2.71Å; E85-M87 VanDerWaalsContact C-N 3.3Å; E85-M87 PolarHBondContact O-N 3.33Å; E85-S88 WeakPolarHBondContact O-CA 3.46Å; E85-S88 WeakPolarHBondContact O-CB 3.37Å; E85-S88 PolarHBondContact O-N 3.13Å; E85-D89 PolarHBondContact O-N 2.92Å |
| 86 | L | 90 | Very high | 90.3 | Very high | 30 Ų | 30 | 50.5 Ų | 50.5 | 16% | 0.157 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.2 | -36.6 | 175.8 | -66.8 | 166.9 | 0 | 0 | 0 | 112.3 | N82 V83 S88 D89 M90 T117 A118 | N82-L86 WeakPolarHBondContact O-CG 3.35Å; N82-L86 PolarHBondContact O-N 2.91Å; V83-L86 PolarHBondContact O-N 3.33Å; L86-S88 VanDerWaalsContact C-N 3.29Å; L86-S88 PolarHBondContact O-N 3.43Å; L86-D89 PolarHBondContact O-N 2.91Å; L86-M90 PolarHBondContact O-N 3Å; L86-T117 HydrophobicContact CD1-CG2 4.1Å; L86-A118 HydrophobicContact CB-CB 3.9Å; L86-A118 HydrophobicContact CD1-CB 3.83Å; L86-A118 HydrophobicContact CG-CB 4.41Å |
| 87 | M | 89.3 | Confident | 89.9 | Confident | 8 Ų | 8 | 48 Ų | 48 | 4% | 0.039 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.5 | -29.1 | 172.1 | -72.2 | -48.4 | -58.6 | 0 | 0 | 112.3 | F29 F58 D59 V83 E84 E85 M90 R91 | F29-M87 HydrophobicContact CD2-CE 3.72Å; F29-M87 HydrophobicContact CD2-SD 3.72Å; F29-M87 HydrophobicContact CE2-CE 3.72Å; F29-M87 HydrophobicContact CE2-SD 3.79Å; F58-M87 HydrophobicContact CB-CG 4.44Å; F58-M87 HydrophobicContact CB-SD 4.17Å; F58-M87 HydrophobicContact CD1-SD 4.37Å; F58-M87 WeakPolarHBondContact O-CG 3.48Å; D59-M87 HydrophobicContact CB-CE 4.28Å; V83-M87 HydrophobicContact CG1-CG 4.31Å; V83-M87 WeakPolarHBondContact O-CB 3.24Å; V83-M87 VanDerWaalsContact O-CG 3.26Å; V83-M87 WeakPolarHBondContact O-CG 3.42Å; V83-M87 PolarHBondContact O-N 2.99Å; E84-M87 PolarHBondContact O-N 3.21Å; E85-M87 VanDerWaalsContact C-N 3.3Å; E85-M87 PolarHBondContact O-N 3.33Å; M87-M90 HydrophobicContact CE-CB 4.35Å; M87-M90 HydrophobicContact CE-CG 4.4Å; M87-M90 WeakPolarHBondContact O-CB 3.32Å; M87-M90 PolarHBondContact O-N 3.18Å; M87-R91 VanDerWaalsContact O-CG 3.3Å; M87-R91 WeakPolarHBondContact O-CG 3.42Å; M87-R91 PolarHBondContact O-N 3.34Å; M87-R91 PolarHBondContact O-NE 3.09Å |
| 88 | S | 88 | Confident | 89.7 | Confident | 56 Ų | 56 | 48 Ų | 48 | 39% | 0.392 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.7 | -45.9 | 170.8 | -160.6 | 0 | 0 | 0 | 0 | 111.7 | E84 E85 L86 M90 R91 Q92 | E84-S88 PolarHBondContact O-N 3.41Å; E85-S88 WeakPolarHBondContact O-CA 3.46Å; E85-S88 WeakPolarHBondContact O-CB 3.37Å; E85-S88 PolarHBondContact O-N 3.13Å; L86-S88 VanDerWaalsContact C-N 3.29Å; L86-S88 PolarHBondContact O-N 3.43Å; S88-M90 VanDerWaalsContact C-N 3.29Å; S88-M90 PolarHBondContact O-N 3.24Å; S88-R91 VanDerWaalsContact CA-NH2 3.26Å; S88-R91 WeakPolarHBondContact O-CB 3.3Å; S88-R91 PolarHBondContact O-N 3.34Å; S88-R91 VanDerWaalsContact O-N 3.15Å; S88-Q92 PolarHBondContact O-N 3.39Å |
| 89 | D | 87.3 | Confident | 89.3 | Confident | 87 Ų | 87 | 50.7 Ų | 50.7 | 47% | 0.465 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.8 | -39.1 | 175.1 | -68.7 | -18.7 | 0 | 0 | 0 | 111.4 | E85 L86 R91 Q92 F93 | E85-D89 PolarHBondContact O-N 2.92Å; L86-D89 PolarHBondContact O-N 2.91Å; D89-R91 PolarHBondContact O-N 2.83Å; D89-Q92 WeakPolarHBondContact O-CB 3.17Å; D89-Q92 PolarHBondContact O-N 2.97Å; D89-F93 PolarHBondContact O-N 3.49Å |
| 90 | M | 86.3 | Confident | 88.9 | Confident | 13 Ų | 13 | 52.8 Ų | 52.8 | 6% | 0.064 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.7 | -44.2 | 173.1 | -165.7 | 64.2 | 66.4 | 0 | 0 | 112.4 | F29 L86 M87 S88 Q92 F93 L94 M115 | F29-M90 HydrophobicContact CE2-CE 4.26Å; F29-M90 HydrophobicContact CE2-CG 4.37Å; F29-M90 HydrophobicContact CZ-CE 4.34Å; L86-M90 PolarHBondContact O-N 3Å; M87-M90 HydrophobicContact CE-CB 4.35Å; M87-M90 HydrophobicContact CE-CG 4.4Å; M87-M90 WeakPolarHBondContact O-CB 3.32Å; M87-M90 PolarHBondContact O-N 3.18Å; S88-M90 VanDerWaalsContact C-N 3.29Å; S88-M90 PolarHBondContact O-N 3.24Å; M90-Q92 VanDerWaalsContact C-N 3.28Å; M90-Q92 PolarHBondContact O-N 3.44Å; M90-F93 WeakPolarHBondContact O-CB 3.46Å; M90-F93 PolarHBondContact O-N 2.89Å; M90-L94 HydrophobicContact CG-CD1 4.47Å; M90-L94 VanDerWaalsContact O-CG 3.31Å; M90-L94 WeakPolarHBondContact O-CG 3.4Å; M90-L94 PolarHBondContact O-N 3.08Å; M90-M115 HydrophobicContact CE-CB 4.38Å; M90-M115 HydrophobicContact CE-CE 3.67Å; M90-M115 HydrophobicContact CE-CG 3.26Å; M90-M115 HydrophobicContact CE-SD 4.3Å; M90-M115 HydrophobicContact SD-CE 3.44Å; M90-M115 WeakPolarHBondContact SD-CE 3.3Å; M90-M115 HydrophobicContact SD-CG 4.29Å |
| 91 | R | 87.5 | Confident | 88.4 | Confident | 80 Ų | 80 | 57 Ų | 57 | 30% | 0.302 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.1 | -38.2 | 176.9 | -72.8 | 177.4 | -61.8 | -112.9 | 6.7 | 110.8 | E84 M87 S88 D89 L94 A95 | E84-R91 IonicContact OE1-CZ 2.93Å; E84-R91 IonicContact OE1-NH1 2.99Å; E84-R91 PolarHBondContact OE1-NH1 3.43Å; E84-R91 IonicContact OE1-NH2 3.09Å; E84-R91 PolarHBondContact OE1-NH2 3.41Å; M87-R91 VanDerWaalsContact O-CG 3.3Å; M87-R91 WeakPolarHBondContact O-CG 3.42Å; M87-R91 PolarHBondContact O-N 3.34Å; M87-R91 PolarHBondContact O-NE 3.09Å; S88-R91 VanDerWaalsContact CA-NH2 3.26Å; S88-R91 WeakPolarHBondContact O-CB 3.3Å; S88-R91 PolarHBondContact O-N 3.34Å; S88-R91 VanDerWaalsContact O-N 3.15Å; D89-R91 PolarHBondContact O-N 2.83Å; R91-L94 PolarHBondContact O-N 2.92Å; R91-A95 WeakPolarHBondContact O-CB 3.19Å; R91-A95 PolarHBondContact O-N 3.45Å |
| 92 | Q | 87.1 | Confident | 88 | Confident | 110 Ų | 110 | 53.6 Ų | 53.6 | 51% | 0.514 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.3 | -41.7 | 174.8 | -171.7 | 60.6 | 57.6 | 0 | 0 | 111.9 | S88 D89 M90 L94 A95 N96 | S88-Q92 PolarHBondContact O-N 3.39Å; D89-Q92 WeakPolarHBondContact O-CB 3.17Å; D89-Q92 PolarHBondContact O-N 2.97Å; M90-Q92 VanDerWaalsContact C-N 3.28Å; M90-Q92 PolarHBondContact O-N 3.44Å; Q92-L94 PolarHBondContact O-N 2.97Å; Q92-A95 PolarHBondContact O-N 3.29Å; Q92-N96 PolarHBondContact NE2-OD1 2.86Å; Q92-N96 WeakPolarHBondContact O-CB 3.47Å; Q92-N96 VanDerWaalsContact O-CG 3.3Å; Q92-N96 PolarHBondContact O-N 3.42Å; Q92-N96 PolarHBondContact O-OD1 2.96Å |
| 93 | F | 86.4 | Confident | 87.3 | Confident | 46 Ų | 46 | 51 Ų | 51 | 20% | 0.202 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.3 | -46.3 | 173.5 | 172.6 | -97.4 | 0 | 0 | 0 | 111.6 | D89 M90 A95 N96 A97 T102 T107 A111 | D89-F93 PolarHBondContact O-N 3.49Å; M90-F93 WeakPolarHBondContact O-CB 3.46Å; M90-F93 PolarHBondContact O-N 2.89Å; F93-A95 PolarHBondContact O-N 3.06Å; F93-N96 CarbonylContact O-C 3.58Å; F93-N96 PolarHBondContact O-N 3.47Å; F93-A97 PolarHBondContact O-N 3.19Å; F93-T102 HydrophobicContact CZ-CG2 4.46Å; F93-T107 HydrophobicContact CE2-CG2 3.86Å; F93-A111 HydrophobicContact CE2-CB 4.04Å; F93-A111 HydrophobicContact CZ-CB 4.06Å |
| 94 | L | 87.7 | Confident | 86.7 | Confident | 30 Ų | 30 | 53.7 Ų | 53.7 | 16% | 0.157 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.4 | -38 | 177.4 | -68.3 | 171.7 | 0 | 0 | 0 | 112.6 | M90 R91 Q92 N96 A97 N308 F397 | M90-L94 HydrophobicContact CG-CD1 4.47Å; M90-L94 VanDerWaalsContact O-CG 3.31Å; M90-L94 WeakPolarHBondContact O-CG 3.4Å; M90-L94 PolarHBondContact O-N 3.08Å; R91-L94 PolarHBondContact O-N 2.92Å; Q92-L94 PolarHBondContact O-N 2.97Å; L94-N96 VanDerWaalsContact C-N 3.34Å; L94-A97 VanDerWaalsContact O-CB 3.32Å; L94-A97 WeakPolarHBondContact O-CB 3.35Å; L94-A97 PolarHBondContact O-N 3.02Å; L94-N308 HydrophobicContact CD1-CB 4.22Å; L94-F397 HydrophobicContact CD2-CD2 4.29Å; L94-F397 HydrophobicContact CD2-CE1 4.1Å; L94-F397 HydrophobicContact CD2-CE2 3.65Å; L94-F397 HydrophobicContact CD2-CZ 3.55Å |
| 95 | A | 88.3 | Confident | 86.2 | Confident | 15 Ų | 15 | 54.4 Ų | 54.4 | 12% | 0.124 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65 | -38.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | R91 Q92 F93 A97 D313 | R91-A95 WeakPolarHBondContact O-CB 3.19Å; R91-A95 PolarHBondContact O-N 3.45Å; Q92-A95 PolarHBondContact O-N 3.29Å; F93-A95 PolarHBondContact O-N 3.06Å; A95-A97 VanDerWaalsContact C-N 3.27Å; A95-A97 PolarHBondContact O-N 3.14Å; A95-D313 HydrophobicContact CB-CB 4.13Å |
| 96 | N | 89.9 | Confident | 85.8 | Confident | 38 Ų | 38 | 54.7 Ų | 54.7 | 20% | 0.203 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -72.1 | -17.1 | 177.4 | -73.4 | 3.5 | 0 | 0 | 0 | 113.5 | Q92 F93 L94 W98 K99 E100 | Q92-N96 PolarHBondContact NE2-OD1 2.86Å; Q92-N96 WeakPolarHBondContact O-CB 3.47Å; Q92-N96 VanDerWaalsContact O-CG 3.3Å; Q92-N96 PolarHBondContact O-N 3.42Å; Q92-N96 PolarHBondContact O-OD1 2.96Å; F93-N96 CarbonylContact O-C 3.58Å; F93-N96 PolarHBondContact O-N 3.47Å; L94-N96 VanDerWaalsContact C-N 3.34Å; N96-W98 PolarHBondContact O-N 2.84Å; N96-K99 WeakPolarHBondContact O-CA 3.41Å; N96-K99 PolarHBondContact O-N 3.13Å; N96-E100 HydrophobicContact CB-CG 4.14Å; N96-E100 WeakPolarHBondContact CB-OE1 3.48Å; N96-E100 PolarHBondContact ND2-OE1 3.38Å; N96-E100 PolarHBondContact O-N 3.05Å |
| 97 | A | 91.5 | Very high | 85.4 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.008 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -22.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | F93 L94 A95 K99 T102 F397 K418 | F93-A97 PolarHBondContact O-N 3.19Å; L94-A97 VanDerWaalsContact O-CB 3.32Å; L94-A97 WeakPolarHBondContact O-CB 3.35Å; L94-A97 PolarHBondContact O-N 3.02Å; A95-A97 VanDerWaalsContact C-N 3.27Å; A95-A97 PolarHBondContact O-N 3.14Å; A97-K99 VanDerWaalsContact C-N 3.31Å; A97-T102 HydrophobicContact CB-CG2 3.83Å; A97-F397 HydrophobicContact CB-CB 4.48Å; A97-F397 HydrophobicContact CB-CD1 3.57Å; A97-F397 HydrophobicContact CB-CE1 4.16Å; A97-F397 HydrophobicContact CB-CG 4.34Å; A97-K418 PolarHBondContact O-NZ 3.45Å |
| 98 | W | 92.5 | Very high | 85.1 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -31.9 | 170.1 | -72.4 | 113.5 | 0 | 0 | 0 | 113.8 | N96 F305 A309 K310 M314 P315 F318 L396 L421 | N96-W98 PolarHBondContact O-N 2.84Å; W98-F305 HydrophobicContact CH2-CB 3.96Å; W98-F305 AromaticContact CH2-CD1 3.45Å; W98-F305 HydrophobicContact CH2-CD1 3.45Å; W98-F305 VanDerWaalsContact CH2-CD1 3.45Å; W98-F305 AromaticContact CH2-CD2 3.65Å; W98-F305 HydrophobicContact CH2-CD2 3.65Å; W98-F305 AromaticContact CH2-CE1 3.71Å; W98-F305 HydrophobicContact CH2-CE1 3.71Å; W98-F305 AromaticContact CH2-CE2 3.9Å; W98-F305 HydrophobicContact CH2-CE2 3.9Å; W98-F305 AromaticContact CH2-CG 3.4Å; W98-F305 HydrophobicContact CH2-CG 3.4Å; W98-F305 VanDerWaalsContact CH2-CG 3.4Å; W98-F305 AromaticContact CH2-CZ 3.94Å; W98-F305 HydrophobicContact CH2-CZ 3.94Å; W98-F305 HydrophobicContact CZ2-CB 3.87Å; W98-F305 HydrophobicContact CZ2-CD1 4.23Å; W98-F305 HydrophobicContact CZ2-CD2 4.11Å; W98-F305 AromaticContact CZ2-CG 3.82Å; W98-F305 HydrophobicContact CZ2-CG 3.82Å; W98-F305 HydrophobicContact CZ3-CD1 4.22Å; W98-F305 HydrophobicContact CZ3-CE1 4.18Å; W98-F305 HydrophobicContact CZ3-CZ 4.47Å; W98-A309 HydrophobicContact CZ2-CB 4.14Å; W98-K310 PolarHBondContact NE1-O 3.29Å; W98-M314 HydrophobicContact CD2-CB 4.29Å; W98-M314 HydrophobicContact CD2-CG 4.42Å; W98-M314 HydrophobicContact CE3-CE 4.42Å; W98-M314 HydrophobicContact CE3-CG 4.22Å; W98-M314 HydrophobicContact CH2-CE 3.35Å; W98-M314 HydrophobicContact CZ2-CB 4.47Å; W98-M314 HydrophobicContact CZ2-CE 4.01Å; W98-M314 HydrophobicContact CZ3-CE 3.61Å; W98-M314 HydrophobicContact CZ3-CG 4.3Å; W98-P315 HydrophobicContact CB-CG 4.48Å; W98-F318 HydrophobicContact CE3-CD2 4.22Å; W98-F318 HydrophobicContact CE3-CE2 4.35Å; W98-L396 HydrophobicContact CD2-CD1 4.15Å; W98-L396 HydrophobicContact CD2-CD2 4.38Å; W98-L396 HydrophobicContact CE3-CD1 4.08Å; W98-L396 HydrophobicContact CE3-CD2 3.66Å; W98-L396 HydrophobicContact CH2-CD1 3.79Å; W98-L396 HydrophobicContact CH2-CD2 4.38Å; W98-L396 HydrophobicContact CZ2-CD1 3.85Å; W98-L396 HydrophobicContact CZ3-CD1 3.89Å; W98-L396 HydrophobicContact CZ3-CD2 3.66Å; W98-L396 HydrophobicContact CZ3-CG 4.42Å; W98-L421 HydrophobicContact CZ3-CD1 3.76Å |
| 99 | K | 89.4 | Confident | 84.9 | Confident | 140 Ų | 140 | 55.6 Ų | 55.6 | 61% | 0.609 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | -39.4 | -170.9 | -63.4 | 174 | -173.7 | 174.1 | 0 | 112.7 | N96 A97 P315 | N96-K99 WeakPolarHBondContact O-CA 3.41Å; N96-K99 PolarHBondContact O-N 3.13Å; A97-K99 VanDerWaalsContact C-N 3.31Å; K99-P315 HydrophobicContact CG-CG 3.83Å |
| 100 | E | 85.5 | Confident | 84.8 | Confident | 72 Ų | 72 | 57.8 Ų | 57.8 | 34% | 0.336 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -89.3 | 147.2 | -172.6 | -67.8 | -179.6 | -165.3 | 0 | 0 | 111.8 | N96 T102 K418 | N96-E100 HydrophobicContact CB-CG 4.14Å; N96-E100 WeakPolarHBondContact CB-OE1 3.48Å; N96-E100 PolarHBondContact ND2-OE1 3.38Å; N96-E100 PolarHBondContact O-N 3.05Å; E100-T102 PolarHBondContact O-N 2.92Å; E100-T102 VanDerWaalsContact O-N 3.09Å; E100-K418 PolarHBondContact O-NZ 2.95Å |
| 101 | D | 82.7 | Confident | 84.8 | Confident | 97 Ų | 97 | 57.6 Ų | 57.6 | 52% | 0.519 | 30% | 0.297 | S | S | . | . | trans | -71.9 | 100 | 166.3 | 179.2 | 11.1 | 0 | 0 | 0 | 109.7 | G103 N104 | D101-G103 PolarHBondContact O-N 2.79Å; D101-G103 WeakPolarHBondContact OD1-CA 3.21Å; D101-G103 PolarHBondContact OD1-N 2.84Å; D101-N104 HydrophobicContact CB-CB 4.38Å; D101-N104 VanDerWaalsContact O-CB 3.26Å; D101-N104 WeakPolarHBondContact O-CB 3.44Å; D101-N104 PolarHBondContact O-N 3.13Å | ||
| 102 | T | 79.6 | Confident | 84.8 | Confident | 14 Ų | 14 | 53.8 Ų | 53.8 | 9% | 0.086 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -12.4 | 179.7 | 54.6 | 0 | 0 | 0 | 0 | 112.5 | F93 A97 E100 N104 M108 L396 F397 | F93-T102 HydrophobicContact CZ-CG2 4.46Å; A97-T102 HydrophobicContact CB-CG2 3.83Å; E100-T102 PolarHBondContact O-N 2.92Å; E100-T102 VanDerWaalsContact O-N 3.09Å; T102-N104 VanDerWaalsContact C-N 3.32Å; T102-M108 VanDerWaalsContact O-CG 3.28Å; T102-M108 WeakPolarHBondContact O-CG 3.12Å; T102-L396 PolarHBondContact OG1-O 2.85Å; T102-F397 HydrophobicContact CG2-CB 4.04Å |
| 103 | G | 74.7 | Confident | 84.9 | Confident | 40 Ų | 40 | 52.9 Ų | 52.9 | 41% | 0.412 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -7.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D101 P105 | D101-G103 PolarHBondContact O-N 2.79Å; D101-G103 WeakPolarHBondContact OD1-CA 3.21Å; D101-G103 PolarHBondContact OD1-N 2.84Å; G103-P105 WeakPolarHBondContact O-CD 3.29Å |
| 104 | N | 78.4 | Confident | 85 | Confident | 56 Ų | 56 | 53.6 Ų | 53.6 | 30% | 0.299 | 29% | 0.285 | S | S | . | . | trans | -64.6 | 125.2 | 178 | -174.1 | -63.4 | 0 | 0 | 0 | 110.9 | D101 T102 I106 T107 M108 | D101-N104 HydrophobicContact CB-CB 4.38Å; D101-N104 VanDerWaalsContact O-CB 3.26Å; D101-N104 WeakPolarHBondContact O-CB 3.44Å; D101-N104 PolarHBondContact O-N 3.13Å; T102-N104 VanDerWaalsContact C-N 3.32Å; N104-I106 PolarHBondContact O-N 3.42Å; N104-I106 VanDerWaalsContact O-N 3.13Å; N104-I106 VanDerWaalsContact OD1-CB 3.3Å; N104-I106 WeakPolarHBondContact OD1-CB 3.13Å; N104-I106 PolarHBondContact OD1-N 3.3Å; N104-T107 PolarHBondContact O-N 2.92Å; N104-T107 VanDerWaalsContact O-N 3.13Å; N104-M108 WeakPolarHBondContact O-CG 3.3Å; N104-M108 PolarHBondContact O-N 3.25Å | ||
| 105 | P | 77.5 | Confident | 85.2 | Confident | 82 Ų | 82 | 53.3 Ų | 53.3 | 53% | 0.532 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57.8 | -31 | -177.7 | -27.3 | 35 | 0 | 0 | 0 | 114.9 | G103 M109 | G103-P105 WeakPolarHBondContact O-CD 3.29Å; P105-M109 WeakPolarHBondContact O-CB 3.32Å; P105-M109 PolarHBondContact O-N 2.96Å |
| 106 | I | 82 | Confident | 85.4 | Confident | 134 Ų | 134 | 52.6 Ų | 52.6 | 69% | 0.687 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -71.1 | -47.9 | 178.1 | -59 | 174.3 | 0 | 0 | 0 | 109.9 | N104 M108 M109 K110 | N104-I106 PolarHBondContact O-N 3.42Å; N104-I106 VanDerWaalsContact O-N 3.13Å; N104-I106 VanDerWaalsContact OD1-CB 3.3Å; N104-I106 WeakPolarHBondContact OD1-CB 3.13Å; N104-I106 PolarHBondContact OD1-N 3.3Å; I106-M108 VanDerWaalsContact C-N 3.31Å; I106-M108 PolarHBondContact O-N 3.07Å; I106-M109 PolarHBondContact O-N 2.67Å; I106-K110 PolarHBondContact O-N 3.27Å |
| 107 | T | 82.7 | Confident | 85.6 | Confident | 33 Ų | 33 | 53.5 Ų | 53.5 | 20% | 0.202 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.2 | -45.1 | 175.8 | -57.2 | 0 | 0 | 0 | 0 | 110.6 | F93 N104 K110 A111 | F93-T107 HydrophobicContact CE2-CG2 3.86Å; N104-T107 PolarHBondContact O-N 2.92Å; N104-T107 VanDerWaalsContact O-N 3.13Å; T107-K110 PolarHBondContact O-N 2.95Å; T107-A111 WeakPolarHBondContact O-CB 3.34Å; T107-A111 PolarHBondContact O-N 2.76Å |
| 108 | M | 81.3 | Confident | 85.7 | Confident | 17 Ų | 17 | 53.5 Ų | 53.5 | 8% | 0.084 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.7 | -45.4 | 174.5 | -68 | -180 | 71.5 | 0 | 0 | 111.8 | T102 N104 I106 K110 A111 A112 Q194 V215 F219 | T102-M108 VanDerWaalsContact O-CG 3.28Å; T102-M108 WeakPolarHBondContact O-CG 3.12Å; N104-M108 WeakPolarHBondContact O-CG 3.3Å; N104-M108 PolarHBondContact O-N 3.25Å; I106-M108 VanDerWaalsContact C-N 3.31Å; I106-M108 PolarHBondContact O-N 3.07Å; M108-K110 PolarHBondContact O-N 2.67Å; M108-A111 PolarHBondContact O-N 2.72Å; M108-A112 WeakPolarHBondContact O-CB 3.39Å; M108-A112 PolarHBondContact O-N 3.34Å; M108-Q194 VanDerWaalsContact CE-NE2 3.25Å; M108-V215 HydrophobicContact CE-CG1 4.26Å; M108-F219 WeakPolarHBondContact O-CD2 3.33Å; M108-F219 WeakPolarHBondContact O-CE2 3.48Å |
| 109 | M | 85 | Confident | 85.9 | Confident | 62 Ų | 62 | 53.6 Ų | 53.6 | 31% | 0.305 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.7 | -41.3 | -179.5 | -169.6 | 60.5 | 60.8 | 0 | 0 | 112.1 | P105 I106 A112 Q113 Y218 | P105-M109 WeakPolarHBondContact O-CB 3.32Å; P105-M109 PolarHBondContact O-N 2.96Å; I106-M109 PolarHBondContact O-N 2.67Å; M109-A112 WeakPolarHBondContact O-CB 3.29Å; M109-A112 PolarHBondContact O-N 2.98Å; M109-Q113 WeakPolarHBondContact O-CG 3.33Å; M109-Q113 PolarHBondContact O-N 3.48Å; M109-Y218 HydrophobicContact CE-CD1 3.8Å; M109-Y218 HydrophobicContact CE-CE1 3.64Å; M109-Y218 HydrophobicContact SD-CD1 4.38Å; M109-Y218 HydrophobicContact SD-CE1 3.83Å |
| 110 | K | 85.5 | Confident | 86.2 | Confident | 133 Ų | 133 | 47.6 Ų | 47.6 | 58% | 0.578 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -62.3 | -47.8 | 174.8 | -176.3 | 178.6 | 176.5 | -172.7 | 0 | 110.9 | I106 T107 M108 A112 Q113 D114 | I106-K110 PolarHBondContact O-N 3.27Å; T107-K110 PolarHBondContact O-N 2.95Å; M108-K110 PolarHBondContact O-N 2.67Å; K110-A112 PolarHBondContact O-N 2.8Å; K110-Q113 WeakPolarHBondContact O-CB 3.45Å; K110-Q113 PolarHBondContact O-N 2.93Å; K110-Q113 VanDerWaalsContact O-N 3.07Å; K110-D114 PolarHBondContact O-N 3.32Å |
| 111 | A | 85.5 | Confident | 86.7 | Confident | 10 Ų | 10 | 46.9 Ų | 46.9 | 8% | 0.083 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.9 | -36 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F93 T107 M108 D114 M115 F219 | F93-A111 HydrophobicContact CE2-CB 4.04Å; F93-A111 HydrophobicContact CZ-CB 4.06Å; T107-A111 WeakPolarHBondContact O-CB 3.34Å; T107-A111 PolarHBondContact O-N 2.76Å; M108-A111 PolarHBondContact O-N 2.72Å; A111-D114 PolarHBondContact O-N 2.79Å; A111-M115 VanDerWaalsContact O-CB 3.27Å; A111-M115 WeakPolarHBondContact O-CB 3.37Å; A111-M115 VanDerWaalsContact O-CG 3.32Å; A111-M115 WeakPolarHBondContact O-CG 3.21Å; A111-M115 PolarHBondContact O-N 3.22Å; A111-F219 HydrophobicContact CB-CE2 4.23Å |
| 112 | A | 87.1 | Confident | 87.4 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.7 | -42.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | M108 M109 K110 G116 F219 L222 | M108-A112 WeakPolarHBondContact O-CB 3.39Å; M108-A112 PolarHBondContact O-N 3.34Å; M109-A112 WeakPolarHBondContact O-CB 3.29Å; M109-A112 PolarHBondContact O-N 2.98Å; K110-A112 PolarHBondContact O-N 2.8Å; A112-G116 WeakPolarHBondContact O-CA 3.45Å; A112-G116 PolarHBondContact O-N 3.48Å; A112-F219 HydrophobicContact CB-CD2 3.24Å; A112-F219 HydrophobicContact CB-CE2 3.39Å; A112-F219 HydrophobicContact CB-CG 3.9Å; A112-F219 HydrophobicContact CB-CZ 4.12Å; A112-F219 VanDerWaalsContact N-CE2 3.26Å; A112-L222 HydrophobicContact CB-CD2 4.06Å |
| 113 | Q | 89.3 | Confident | 88.3 | Confident | 90 Ų | 90 | 41.6 Ų | 41.6 | 42% | 0.421 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67.3 | -45.4 | 178.3 | -70.9 | 176.2 | -21.3 | 0 | 0 | 111.1 | M109 K110 G116 T117 L222 R226 | M109-Q113 WeakPolarHBondContact O-CG 3.33Å; M109-Q113 PolarHBondContact O-N 3.48Å; K110-Q113 WeakPolarHBondContact O-CB 3.45Å; K110-Q113 PolarHBondContact O-N 2.93Å; K110-Q113 VanDerWaalsContact O-N 3.07Å; Q113-G116 PolarHBondContact O-N 2.92Å; Q113-T117 PolarHBondContact O-N 2.89Å; Q113-T117 PolarHBondContact O-OG1 3.42Å; Q113-L222 HydrophobicContact CG-CD2 4.34Å; Q113-R226 PolarHBondContact O-NH1 2.92Å |
| 114 | D | 89.5 | Confident | 89.4 | Confident | 62 Ų | 62 | 41.9 Ų | 41.9 | 33% | 0.332 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -67.1 | -44.9 | -179.5 | -63.4 | -21.2 | 0 | 0 | 0 | 110.8 | K110 A111 T117 A118 | K110-D114 PolarHBondContact O-N 3.32Å; A111-D114 PolarHBondContact O-N 2.79Å; D114-T117 PolarHBondContact O-N 3.46Å; D114-A118 PolarHBondContact O-N 2.91Å |
| 115 | M | 90.5 | Very high | 90.3 | Very high | 23 Ų | 23 | 41.9 Ų | 41.9 | 11% | 0.113 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.8 | -50.5 | 171.5 | -78.3 | -174.7 | -175 | 0 | 0 | 111.4 | M90 A111 T117 A118 F119 F219 I223 | M90-M115 HydrophobicContact CE-CB 4.38Å; M90-M115 HydrophobicContact CE-CE 3.67Å; M90-M115 HydrophobicContact CE-CG 3.26Å; M90-M115 HydrophobicContact CE-SD 4.3Å; M90-M115 HydrophobicContact SD-CE 3.44Å; M90-M115 WeakPolarHBondContact SD-CE 3.3Å; M90-M115 HydrophobicContact SD-CG 4.29Å; A111-M115 VanDerWaalsContact O-CB 3.27Å; A111-M115 WeakPolarHBondContact O-CB 3.37Å; A111-M115 VanDerWaalsContact O-CG 3.32Å; A111-M115 WeakPolarHBondContact O-CG 3.21Å; A111-M115 PolarHBondContact O-N 3.22Å; M115-T117 PolarHBondContact O-N 2.93Å; M115-A118 PolarHBondContact O-N 2.86Å; M115-F119 VanDerWaalsContact O-CD2 3.23Å; M115-F119 WeakPolarHBondContact O-CD2 2.9Å; M115-F119 PolarHBondContact O-N 3.42Å; M115-F219 HydrophobicContact SD-CE1 4.14Å; M115-F219 HydrophobicContact SD-CZ 3.76Å; M115-I223 HydrophobicContact CB-CD1 3.83Å; M115-I223 HydrophobicContact CB-CG1 4.2Å; M115-I223 HydrophobicContact SD-CD1 4.2Å |
| 116 | G | 93.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.1 | -32.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A112 Q113 A120 R226 | A112-G116 WeakPolarHBondContact O-CA 3.45Å; A112-G116 PolarHBondContact O-N 3.48Å; Q113-G116 PolarHBondContact O-N 2.92Å; G116-A120 WeakPolarHBondContact O-CB 3.3Å; G116-A120 PolarHBondContact O-N 3.3Å; G116-A120 VanDerWaalsContact O-N 3.15Å; G116-R226 WeakPolarHBondContact O-CD 3.42Å |
| 117 | T | 94 | Very high | 92.1 | Very high | 58 Ų | 58 | 31.8 Ų | 31.8 | 36% | 0.356 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -67.6 | -48.5 | 171.8 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | L86 Q113 D114 M115 F119 A120 E121 R226 | L86-T117 HydrophobicContact CD1-CG2 4.1Å; Q113-T117 PolarHBondContact O-N 2.89Å; Q113-T117 PolarHBondContact O-OG1 3.42Å; D114-T117 PolarHBondContact O-N 3.46Å; M115-T117 PolarHBondContact O-N 2.93Å; T117-F119 VanDerWaalsContact C-N 3.34Å; T117-F119 PolarHBondContact O-N 2.92Å; T117-A120 PolarHBondContact O-N 2.95Å; T117-E121 WeakPolarHBondContact O-CB 3.43Å; T117-E121 PolarHBondContact O-N 3.15Å; T117-R226 VanDerWaalsContact N-NH1 3.19Å; T117-R226 PolarHBondContact OG1-NH1 2.93Å |
| 118 | A | 93.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.9 | -42.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L86 D114 M115 Q122 | L86-A118 HydrophobicContact CB-CB 3.9Å; L86-A118 HydrophobicContact CD1-CB 3.83Å; L86-A118 HydrophobicContact CG-CB 4.41Å; D114-A118 PolarHBondContact O-N 2.91Å; M115-A118 PolarHBondContact O-N 2.86Å; A118-Q122 WeakPolarHBondContact O-CB 3.34Å; A118-Q122 PolarHBondContact O-N 3.48Å |
| 119 | F | 95.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 35 Ų | 35 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.2 | -44.6 | 178.3 | -84.4 | -106.6 | 0 | 0 | 0 | 111.8 | F29 F58 M115 T117 E121 Q122 C123 F149 D150 I223 D227 | F29-F119 HydrophobicContact CB-CZ 4.46Å; F29-F119 HydrophobicContact CD1-CE2 4.44Å; F29-F119 AromaticContact CD1-CZ 3.95Å; F29-F119 HydrophobicContact CD1-CZ 3.95Å; F29-F119 HydrophobicContact CD2-CE2 4.18Å; F29-F119 HydrophobicContact CD2-CZ 4.29Å; F29-F119 HydrophobicContact CE1-CE2 4.41Å; F29-F119 HydrophobicContact CE1-CZ 4.24Å; F29-F119 HydrophobicContact CE2-CE2 4.14Å; F29-F119 HydrophobicContact CG-CE2 4.32Å; F29-F119 AromaticContact CG-CZ 3.98Å; F29-F119 HydrophobicContact CG-CZ 3.98Å; F29-F119 HydrophobicContact CZ-CE2 4.26Å; F58-F119 HydrophobicContact CE1-CD1 4.39Å; F58-F119 AromaticContact CE1-CD2 3.89Å; F58-F119 HydrophobicContact CE1-CD2 3.89Å; F58-F119 HydrophobicContact CE1-CE2 4.06Å; F58-F119 HydrophobicContact CE1-CG 4.06Å; F58-F119 HydrophobicContact CE1-CZ 4.36Å; F58-F119 AromaticContact CZ-CD1 3.9Å; F58-F119 HydrophobicContact CZ-CD1 3.9Å; F58-F119 HydrophobicContact CZ-CD2 4.23Å; F58-F119 HydrophobicContact CZ-CE1 4.06Å; F58-F119 HydrophobicContact CZ-CE2 4.38Å; F58-F119 AromaticContact CZ-CG 3.98Å; F58-F119 HydrophobicContact CZ-CG 3.98Å; F58-F119 HydrophobicContact CZ-CZ 4.27Å; M115-F119 VanDerWaalsContact O-CD2 3.23Å; M115-F119 WeakPolarHBondContact O-CD2 2.9Å; M115-F119 PolarHBondContact O-N 3.42Å; T117-F119 VanDerWaalsContact C-N 3.34Å; T117-F119 PolarHBondContact O-N 2.92Å; F119-E121 PolarHBondContact O-N 2.86Å; F119-Q122 PolarHBondContact O-N 2.74Å; F119-C123 VanDerWaalsContact O-CB 3.26Å; F119-C123 WeakPolarHBondContact O-CB 3.42Å; F119-C123 PolarHBondContact O-N 3.15Å; F119-F149 HydrophobicContact CE1-CD1 4.12Å; F119-F149 HydrophobicContact CE1-CE1 4.19Å; F119-F149 HydrophobicContact CE2-CE1 4.39Å; F119-F149 AromaticContact CZ-CD1 3.97Å; F119-F149 HydrophobicContact CZ-CD1 3.97Å; F119-F149 AromaticContact CZ-CE1 3.59Å; F119-F149 HydrophobicContact CZ-CE1 3.59Å; F119-D150 HydrophobicContact CD1-CB 4.13Å; F119-D150 HydrophobicContact CE1-CB 3.77Å; F119-I223 HydrophobicContact CB-CG2 3.88Å; F119-I223 HydrophobicContact CD1-CG2 4.06Å; F119-I223 HydrophobicContact CD2-CG2 4.4Å; F119-I223 HydrophobicContact CG-CG2 3.84Å; F119-D227 WeakPolarHBondContact CB-OD1 3.32Å |
| 120 | A | 96.4 | Very high | 94.2 | Very high | 15 Ų | 15 | 37.3 Ų | 37.3 | 12% | 0.124 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.8 | -41.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | G116 T117 C123 T124 R226 D227 A230 | G116-A120 WeakPolarHBondContact O-CB 3.3Å; G116-A120 PolarHBondContact O-N 3.3Å; G116-A120 VanDerWaalsContact O-N 3.15Å; T117-A120 PolarHBondContact O-N 2.95Å; A120-C123 PolarHBondContact O-N 3.37Å; A120-T124 PolarHBondContact O-N 3.21Å; A120-T124 PolarHBondContact O-OG1 2.93Å; A120-R226 HydrophobicContact CB-CB 3.89Å; A120-D227 PolarHBondContact N-OD1 2.94Å; A120-A230 HydrophobicContact CB-CB 3.94Å; A120-A230 VanDerWaalsContact O-CB 3.31Å; A120-A230 WeakPolarHBondContact O-CB 3.26Å |
| 121 | E | 96.3 | Very high | 94.8 | Very high | 56 Ų | 56 | 33 Ų | 33 | 26% | 0.262 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.2 | -48.3 | 176.5 | -173 | 74.2 | -169.4 | 0 | 0 | 110.6 | P81 V83 T117 F119 C123 T124 K125 | P81-E121 WeakPolarHBondContact CB-OE1 3.43Å; P81-E121 WeakPolarHBondContact O-CG 3.39Å; P81-E121 VanDerWaalsContact O-OE1 3.08Å; V83-E121 HydrophobicContact CG2-CB 4.15Å; V83-E121 HydrophobicContact CG2-CG 3.84Å; T117-E121 WeakPolarHBondContact O-CB 3.43Å; T117-E121 PolarHBondContact O-N 3.15Å; F119-E121 PolarHBondContact O-N 2.86Å; E121-C123 VanDerWaalsContact C-N 3.3Å; E121-C123 PolarHBondContact O-N 2.96Å; E121-T124 WeakPolarHBondContact O-CB 3.42Å; E121-T124 PolarHBondContact O-N 3.1Å; E121-K125 PolarHBondContact O-N 2.95Å |
| 122 | Q | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.3 | -35.8 | 176.1 | -170.6 | 60.9 | 25.5 | 0 | 0 | 111.7 | P56 F58 E78 V83 A118 F119 K125 V126 | P56-Q122 HydrophobicContact CB-CG 4.07Å; F58-Q122 HydrophobicContact CD1-CB 4.27Å; F58-Q122 HydrophobicContact CD1-CG 4.43Å; F58-Q122 HydrophobicContact CD2-CB 4.48Å; F58-Q122 HydrophobicContact CD2-CG 3.86Å; F58-Q122 HydrophobicContact CE1-CB 3.62Å; F58-Q122 HydrophobicContact CE1-CG 4.07Å; F58-Q122 HydrophobicContact CE2-CB 3.89Å; F58-Q122 HydrophobicContact CE2-CG 3.46Å; F58-Q122 VanDerWaalsContact CE2-CG 3.46Å; F58-Q122 HydrophobicContact CG-CG 4.35Å; F58-Q122 HydrophobicContact CZ-CB 3.42Å; F58-Q122 VanDerWaalsContact CZ-CB 3.42Å; F58-Q122 HydrophobicContact CZ-CG 3.59Å; E78-Q122 PolarHBondContact O-NE2 2.89Å; V83-Q122 HydrophobicContact CG2-CB 4.24Å; A118-Q122 WeakPolarHBondContact O-CB 3.34Å; A118-Q122 PolarHBondContact O-N 3.48Å; F119-Q122 PolarHBondContact O-N 2.74Å; Q122-K125 WeakPolarHBondContact O-CB 3.41Å; Q122-K125 PolarHBondContact O-N 3.06Å; Q122-V126 VanDerWaalsContact O-CG2 3.31Å; Q122-V126 WeakPolarHBondContact O-CG2 3.44Å; Q122-V126 PolarHBondContact O-N 3.31Å |
| 123 | C | 98 | Very high | 95.9 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.7 | -44.3 | 176.6 | -170.3 | 0 | 0 | 0 | 0 | 111.4 | F119 A120 E121 K125 V126 I127 C152 | F119-C123 VanDerWaalsContact O-CB 3.26Å; F119-C123 WeakPolarHBondContact O-CB 3.42Å; F119-C123 PolarHBondContact O-N 3.15Å; A120-C123 PolarHBondContact O-N 3.37Å; E121-C123 VanDerWaalsContact C-N 3.3Å; E121-C123 PolarHBondContact O-N 2.96Å; C123-K125 VanDerWaalsContact C-N 3.28Å; C123-K125 PolarHBondContact O-N 3.39Å; C123-V126 PolarHBondContact O-N 2.89Å; C123-I127 VanDerWaalsContact O-CG1 3.31Å; C123-I127 WeakPolarHBondContact O-CG1 3.36Å; C123-I127 PolarHBondContact O-N 3.24Å; C123-C152 WeakPolarHBondContact CA-SG 3.43Å; C123-C152 HydrophobicContact CB-CB 3.59Å; C123-C152 WeakPolarHBondContact CB-SG 3.44Å; C123-C152 WeakPolarHBondContact SG-CB 3.28Å; C123-C152 CovalentContact SG-SG 2.04Å; C123-C152 PolarHBondContact SG-SG 2.87Å |
| 124 | T | 97.8 | Very high | 96.4 | Very high | 45 Ų | 45 | 36 Ų | 36 | 28% | 0.276 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -54.8 | -46.9 | 172.5 | -58.4 | 0 | 0 | 0 | 0 | 110.4 | A120 E121 V126 I127 S128 A230 V234 | A120-T124 PolarHBondContact O-N 3.21Å; A120-T124 PolarHBondContact O-OG1 2.93Å; E121-T124 WeakPolarHBondContact O-CB 3.42Å; E121-T124 PolarHBondContact O-N 3.1Å; T124-V126 PolarHBondContact O-N 3.38Å; T124-I127 PolarHBondContact O-N 3.4Å; T124-S128 VanDerWaalsContact O-CB 3.26Å; T124-S128 WeakPolarHBondContact O-CB 3.38Å; T124-S128 PolarHBondContact O-N 3.41Å; T124-S128 PolarHBondContact O-OG 3.39Å; T124-A230 WeakPolarHBondContact OG1-CB 3.29Å; T124-V234 HydrophobicContact CG2-CG2 3.96Å |
| 125 | K | 97.8 | Very high | 96.8 | Very high | 56 Ų | 56 | 38.1 Ų | 38.1 | 24% | 0.243 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.5 | -43.6 | 177.7 | 176.6 | 56 | 175.1 | 149.7 | 0 | 112.5 | V77 E78 E121 Q122 C123 S128 E129 | V77-K125 HydrophobicContact CG1-CG 3.97Å; E78-K125 WeakPolarHBondContact O-CG 3.25Å; E121-K125 PolarHBondContact O-N 2.95Å; Q122-K125 WeakPolarHBondContact O-CB 3.41Å; Q122-K125 PolarHBondContact O-N 3.06Å; C123-K125 VanDerWaalsContact C-N 3.28Å; C123-K125 PolarHBondContact O-N 3.39Å; K125-S128 PolarHBondContact O-OG 2.86Å; K125-E129 WeakPolarHBondContact CE-OE2 3.22Å; K125-E129 IonicContact NZ-OE2 2.68Å; K125-E129 PolarHBondContact NZ-OE2 3.05Å; K125-E129 PolarHBondContact O-N 3.01Å; K125-E129 VanDerWaalsContact O-N 3.13Å |
| 126 | V | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.8 | -48.8 | 177.8 | 172.8 | 0 | 0 | 0 | 0 | 112.1 | Y25 L54 P56 V77 Q122 C123 T124 S128 E129 L132 | Y25-V126 HydrophobicContact CE2-CG1 4.19Å; L54-V126 HydrophobicContact CD2-CG1 4.46Å; P56-V126 HydrophobicContact CB-CG2 3.62Å; P56-V126 HydrophobicContact CG-CG2 3.55Å; V77-V126 HydrophobicContact CB-CG2 4.14Å; V77-V126 HydrophobicContact CG1-CG2 3.97Å; V77-V126 HydrophobicContact CG2-CG2 4.44Å; Q122-V126 VanDerWaalsContact O-CG2 3.31Å; Q122-V126 WeakPolarHBondContact O-CG2 3.44Å; Q122-V126 PolarHBondContact O-N 3.31Å; C123-V126 PolarHBondContact O-N 2.89Å; T124-V126 PolarHBondContact O-N 3.38Å; V126-S128 VanDerWaalsContact C-N 3.3Å; V126-S128 PolarHBondContact O-N 3.27Å; V126-E129 WeakPolarHBondContact O-CB 3.44Å; V126-E129 PolarHBondContact O-N 3.23Å; V126-L132 HydrophobicContact CG1-CD2 4.23Å; V126-L132 WeakPolarHBondContact O-CD2 3.41Å |
| 127 | I | 98.3 | Very high | 97.3 | Very high | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70 | -30 | -176.3 | -61.7 | -62.7 | 0 | 0 | 0 | 111.6 | C123 T124 L133 L156 A231 V234 V235 | C123-I127 VanDerWaalsContact O-CG1 3.31Å; C123-I127 WeakPolarHBondContact O-CG1 3.36Å; C123-I127 PolarHBondContact O-N 3.24Å; T124-I127 PolarHBondContact O-N 3.4Å; I127-L133 HydrophobicContact CG2-CD1 4.34Å; I127-L156 HydrophobicContact CD1-CB 4.25Å; I127-L156 HydrophobicContact CD1-CD1 4.22Å; I127-A231 HydrophobicContact CG1-CB 3.92Å; I127-V234 HydrophobicContact CB-CB 4.49Å; I127-V234 HydrophobicContact CB-CG1 4.46Å; I127-V234 HydrophobicContact CG2-CB 3.79Å; I127-V234 HydrophobicContact CG2-CG1 3.77Å; I127-V235 HydrophobicContact CG2-CB 3.9Å; I127-V235 HydrophobicContact CG2-CG1 3.5Å; I127-V235 VanDerWaalsContact CG2-CG1 3.5Å |
| 128 | S | 97.5 | Very high | 97.5 | Very high | 60 Ų | 60 | 43.6 Ų | 43.6 | 42% | 0.42 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -0.1 | 176.8 | 63.4 | 0 | 0 | 0 | 0 | 114.5 | T124 K125 V126 P130 | T124-S128 VanDerWaalsContact O-CB 3.26Å; T124-S128 WeakPolarHBondContact O-CB 3.38Å; T124-S128 PolarHBondContact O-N 3.41Å; T124-S128 PolarHBondContact O-OG 3.39Å; K125-S128 PolarHBondContact O-OG 2.86Å; V126-S128 VanDerWaalsContact C-N 3.3Å; V126-S128 PolarHBondContact O-N 3.27Å; S128-P130 WeakPolarHBondContact O-CD 3.41Å |
| 129 | E | 98.1 | Very high | 97.7 | Very high | 56 Ų | 56 | 46.5 Ų | 46.5 | 26% | 0.262 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -61.7 | 121.2 | -178.4 | -173.9 | 63.3 | -151.7 | 0 | 0 | 110.6 | V77 K125 V126 G131 L132 | V77-E129 HydrophobicContact CG1-CB 4.38Å; V77-E129 HydrophobicContact CG1-CG 4.4Å; V77-E129 HydrophobicContact CG2-CB 4.44Å; V77-E129 HydrophobicContact CG2-CG 4.22Å; K125-E129 WeakPolarHBondContact CE-OE2 3.22Å; K125-E129 IonicContact NZ-OE2 2.68Å; K125-E129 PolarHBondContact NZ-OE2 3.05Å; K125-E129 PolarHBondContact O-N 3.01Å; K125-E129 VanDerWaalsContact O-N 3.13Å; V126-E129 WeakPolarHBondContact O-CB 3.44Å; V126-E129 PolarHBondContact O-N 3.23Å; E129-G131 PolarHBondContact O-N 3.42Å; E129-L132 HydrophobicContact CB-CB 3.87Å; E129-L132 HydrophobicContact CB-CD2 3.89Å; E129-L132 HydrophobicContact CG-CB 4.08Å; E129-L132 HydrophobicContact CG-CD2 4.29Å; E129-L132 WeakPolarHBondContact O-CB 3.42Å; E129-L132 PolarHBondContact O-N 2.9Å; E129-L132 VanDerWaalsContact O-N 3.12Å |
| 130 | P | 97.7 | Very high | 97.7 | Very high | 112 Ų | 112 | 52.6 Ų | 52.6 | 73% | 0.727 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 123 | -171.1 | -28.4 | 35.7 | 0 | 0 | 0 | 113.8 | S128 L132 | S128-P130 WeakPolarHBondContact O-CD 3.41Å; P130-L132 PolarHBondContact O-N 3.02Å |
| 131 | G | 97.7 | Very high | 97.8 | Very high | 43 Ų | 43 | 52.5 Ų | 52.5 | 44% | 0.443 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | -1.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | E129 E134 K135 | E129-G131 PolarHBondContact O-N 3.42Å; G131-E134 VanDerWaalsContact C-OE2 3.27Å; G131-E134 WeakPolarHBondContact CA-OE2 3.24Å; G131-K135 VanDerWaalsContact O-CB 3.25Å; G131-K135 WeakPolarHBondContact O-CB 3.43Å; G131-K135 PolarHBondContact O-N 2.8Å |
| 132 | L | 98.6 | Very high | 97.9 | Very high | 10 Ų | 10 | 52.6 Ų | 52.6 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.4 | -49.7 | -176.5 | 178.8 | 62.7 | 0 | 0 | 0 | 111.4 | L54 I75 V77 V126 E129 P130 E134 K135 L136 | L54-L132 HydrophobicContact CD1-CD1 4.31Å; L54-L132 HydrophobicContact CD1-CD2 4.26Å; L54-L132 HydrophobicContact CD2-CD2 4.3Å; I75-L132 HydrophobicContact CG2-CD1 3.9Å; V77-L132 HydrophobicContact CG2-CD2 3.72Å; V126-L132 HydrophobicContact CG1-CD2 4.23Å; V126-L132 WeakPolarHBondContact O-CD2 3.41Å; E129-L132 HydrophobicContact CB-CB 3.87Å; E129-L132 HydrophobicContact CB-CD2 3.89Å; E129-L132 HydrophobicContact CG-CB 4.08Å; E129-L132 HydrophobicContact CG-CD2 4.29Å; E129-L132 WeakPolarHBondContact O-CB 3.42Å; E129-L132 PolarHBondContact O-N 2.9Å; E129-L132 VanDerWaalsContact O-N 3.12Å; P130-L132 PolarHBondContact O-N 3.02Å; L132-E134 VanDerWaalsContact C-N 3.35Å; L132-E134 PolarHBondContact O-N 2.85Å; L132-K135 PolarHBondContact O-N 2.78Å; L132-L136 HydrophobicContact CD1-CD1 3.9Å; L132-L136 HydrophobicContact CD1-CG 4.03Å; L132-L136 HydrophobicContact CG-CD1 3.9Å; L132-L136 HydrophobicContact CG-CG 4.39Å; L132-L136 WeakPolarHBondContact O-CB 3.49Å; L132-L136 VanDerWaalsContact O-CG 3.27Å; L132-L136 WeakPolarHBondContact O-CG 3.38Å; L132-L136 PolarHBondContact O-N 3.44Å |
| 133 | L | 98.3 | Very high | 97.9 | Very high | 26 Ų | 26 | 52.6 Ų | 52.6 | 14% | 0.136 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.1 | -42.7 | -178.1 | -62.7 | -176.4 | 0 | 0 | 0 | 111.4 | I127 L136 K137 L156 A159 I160 V235 | I127-L133 HydrophobicContact CG2-CD1 4.34Å; L133-L136 PolarHBondContact O-N 3.42Å; L133-K137 WeakPolarHBondContact O-CB 3.46Å; L133-K137 PolarHBondContact O-N 3Å; L133-L156 HydrophobicContact CD2-CD1 3.38Å; L133-A159 HydrophobicContact CD1-CB 4.29Å; L133-A159 HydrophobicContact CD2-CB 4.23Å; L133-I160 HydrophobicContact CD2-CG2 4.21Å; L133-V235 HydrophobicContact CD1-CB 4.49Å; L133-V235 HydrophobicContact CD1-CG2 4.13Å |
| 134 | E | 98 | Very high | 98 | Very high | 127 Ų | 127 | 52.6 Ų | 52.6 | 59% | 0.593 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -61.9 | -45.3 | 177 | -65.1 | 76.8 | -171.6 | 0 | 0 | 111 | G131 L132 K137 A138 | G131-E134 VanDerWaalsContact C-OE2 3.27Å; G131-E134 WeakPolarHBondContact CA-OE2 3.24Å; L132-E134 VanDerWaalsContact C-N 3.35Å; L132-E134 PolarHBondContact O-N 2.85Å; E134-K137 PolarHBondContact O-N 2.93Å; E134-A138 WeakPolarHBondContact O-CB 3.2Å; E134-A138 PolarHBondContact O-N 3.38Å |
| 135 | K | 98.2 | Very high | 98 | Very high | 105 Ų | 105 | 50.4 Ų | 50.4 | 46% | 0.457 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.8 | -53.2 | 175.8 | -179.2 | -179.3 | 177.1 | -176.7 | 0 | 110.7 | G131 L132 K137 A138 E139 | G131-K135 VanDerWaalsContact O-CB 3.25Å; G131-K135 WeakPolarHBondContact O-CB 3.43Å; G131-K135 PolarHBondContact O-N 2.8Å; L132-K135 PolarHBondContact O-N 2.78Å; K135-K137 VanDerWaalsContact C-N 3.3Å; K135-K137 PolarHBondContact O-N 3.36Å; K135-A138 WeakPolarHBondContact O-CB 3.17Å; K135-A138 PolarHBondContact O-N 2.99Å; K135-A138 VanDerWaalsContact O-N 3.13Å; K135-E139 WeakPolarHBondContact O-CG 3.43Å; K135-E139 PolarHBondContact O-N 2.93Å; K135-E139 VanDerWaalsContact O-N 3.16Å |
| 136 | L | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.1 | -37.2 | -178.1 | -68 | 174.8 | 0 | 0 | 0 | 112.5 | L23 L54 I75 L132 L133 E139 Y141 L156 I160 | L23-L136 HydrophobicContact CD1-CD2 4.02Å; L23-L136 HydrophobicContact CD2-CD2 4.3Å; L54-L136 HydrophobicContact CD2-CD1 4.02Å; I75-L136 HydrophobicContact CD1-CD2 3.97Å; L132-L136 HydrophobicContact CD1-CD1 3.9Å; L132-L136 HydrophobicContact CD1-CG 4.03Å; L132-L136 HydrophobicContact CG-CD1 3.9Å; L132-L136 HydrophobicContact CG-CG 4.39Å; L132-L136 WeakPolarHBondContact O-CB 3.49Å; L132-L136 VanDerWaalsContact O-CG 3.27Å; L132-L136 WeakPolarHBondContact O-CG 3.38Å; L132-L136 PolarHBondContact O-N 3.44Å; L133-L136 PolarHBondContact O-N 3.42Å; L136-E139 PolarHBondContact O-N 2.77Å; L136-Y141 HydrophobicContact CD2-CE2 4.02Å; L136-L156 HydrophobicContact CD1-CD1 3.88Å; L136-L156 HydrophobicContact CD1-CD2 4.12Å; L136-L156 HydrophobicContact CD1-CG 4.38Å; L136-I160 HydrophobicContact CB-CD1 4.35Å; L136-I160 HydrophobicContact CB-CG2 3.94Å |
| 137 | K | 97.7 | Very high | 98 | Very high | 124 Ų | 124 | 48.1 Ų | 48.1 | 54% | 0.539 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.1 | -40.6 | 174.6 | -172.1 | 173.8 | -176 | 173 | 0 | 111.9 | L133 E134 K135 E139 N140 I160 | L133-K137 WeakPolarHBondContact O-CB 3.46Å; L133-K137 PolarHBondContact O-N 3Å; E134-K137 PolarHBondContact O-N 2.93Å; K135-K137 VanDerWaalsContact C-N 3.3Å; K135-K137 PolarHBondContact O-N 3.36Å; K137-E139 PolarHBondContact O-N 2.89Å; K137-N140 PolarHBondContact O-N 2.89Å; K137-I160 HydrophobicContact CB-CB 4.41Å |
| 138 | A | 97.9 | Very high | 97.9 | Very high | 71 Ų | 71 | 47.9 Ų | 47.9 | 59% | 0.587 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -65.9 | -25.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E134 K135 N140 | E134-A138 WeakPolarHBondContact O-CB 3.2Å; E134-A138 PolarHBondContact O-N 3.38Å; K135-A138 WeakPolarHBondContact O-CB 3.17Å; K135-A138 PolarHBondContact O-N 2.99Å; K135-A138 VanDerWaalsContact O-N 3.13Å; A138-N140 VanDerWaalsContact C-N 3.26Å; A138-N140 PolarHBondContact O-N 3.45Å; A138-N140 PolarHBondContact O-ND2 3.19Å |
| 139 | E | 97.1 | Very high | 97.8 | Very high | 63 Ų | 63 | 45.9 Ų | 45.9 | 29% | 0.294 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -22.1 | 178.7 | -67.3 | -64.3 | 156.5 | 0 | 0 | 113.4 | K21 K135 L136 K137 Y141 | K21-E139 WeakPolarHBondContact CD-O 3.42Å; K21-E139 WeakPolarHBondContact CE-O 2.99Å; K21-E139 WeakPolarHBondContact CE-OE2 3.09Å; K21-E139 PolarHBondContact NZ-O 3Å; K21-E139 IonicContact NZ-OE2 3.19Å; K21-E139 PolarHBondContact NZ-OE2 3.31Å; K135-E139 WeakPolarHBondContact O-CG 3.43Å; K135-E139 PolarHBondContact O-N 2.93Å; K135-E139 VanDerWaalsContact O-N 3.16Å; L136-E139 PolarHBondContact O-N 2.77Å; K137-E139 PolarHBondContact O-N 2.89Å; E139-Y141 HydrophobicContact CB-CD2 3.83Å; E139-Y141 HydrophobicContact CB-CE1 4.38Å; E139-Y141 HydrophobicContact CB-CE2 3.36Å; E139-Y141 HydrophobicContact CG-CE2 3.87Å |
| 140 | N | 96 | Very high | 97.6 | Very high | 129 Ų | 129 | 43.5 Ų | 43.5 | 69% | 0.69 | 24% | 0.24 | S | C | * | . | trans | 50 | 56.8 | -179.7 | -64.5 | -76 | 0 | 0 | 0 | 113.4 | K137 A138 | K137-N140 PolarHBondContact O-N 2.89Å; A138-N140 VanDerWaalsContact C-N 3.26Å; A138-N140 PolarHBondContact O-N 3.45Å; A138-N140 PolarHBondContact O-ND2 3.19Å | ||
| 141 | Y | 98.3 | Very high | 97.6 | Very high | 13 Ų | 13 | 38.3 Ų | 38.3 | 5% | 0.051 | 21% | 0.206 | C | C | . | . | trans | -60.4 | 139.3 | 177.9 | -66.3 | -80.3 | 0 | 0 | 0 | 112.5 | K21 L23 T52 L136 E139 | K21-Y141 HydrophobicContact CB-CD1 4.36Å; K21-Y141 HydrophobicContact CD-CD1 4.18Å; K21-Y141 HydrophobicContact CD-CE1 4.37Å; K21-Y141 HydrophobicContact CG-CD1 3.7Å; K21-Y141 HydrophobicContact CG-CE1 3.95Å; L23-Y141 HydrophobicContact CB-CD1 3.69Å; L23-Y141 HydrophobicContact CB-CD2 3.81Å; L23-Y141 HydrophobicContact CB-CE1 3.88Å; L23-Y141 HydrophobicContact CB-CE2 3.97Å; L23-Y141 HydrophobicContact CB-CG 3.67Å; L23-Y141 HydrophobicContact CD1-CE2 4.19Å; L23-Y141 HydrophobicContact CD2-CD2 4.15Å; L23-Y141 HydrophobicContact CD2-CE2 4.12Å; L23-Y141 HydrophobicContact CG-CD2 4.47Å; L23-Y141 HydrophobicContact CG-CE2 4.32Å; T52-Y141 VanDerWaalsContact CB-OH 3.23Å; T52-Y141 WeakPolarHBondContact CB-OH 3.43Å; T52-Y141 WeakPolarHBondContact CG2-OH 3.36Å; T52-Y141 WeakPolarHBondContact OG1-CE1 3.37Å; T52-Y141 PolarHBondContact OG1-OH 3.09Å; L136-Y141 HydrophobicContact CD2-CE2 4.02Å; E139-Y141 HydrophobicContact CB-CD2 3.83Å; E139-Y141 HydrophobicContact CB-CE1 4.38Å; E139-Y141 HydrophobicContact CB-CE2 3.36Å; E139-Y141 HydrophobicContact CG-CE2 3.87Å | ||
| 142 | D | 98.1 | Very high | 97.6 | Very high | 58 Ų | 58 | 36.3 Ų | 36.3 | 31% | 0.31 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -73.2 | -32.2 | 176.7 | -63 | -59.8 | 0 | 0 | 0 | 111.8 | Y20 K21 A470 | Y20-D142 WeakPolarHBondContact CA-OD2 3.47Å; Y20-D142 HydrophobicContact CD1-CB 4.12Å; K21-D142 PolarHBondContact N-OD2 3.08Å; K21-D142 PolarHBondContact O-N 3.45Å; D142-A470 HydrophobicContact CB-CB 4.27Å |
| 143 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 149 | -178.6 | -168.4 | 76.7 | 0 | 0 | 0 | 110.4 | I22 L23 I145 A164 V166 V466 A469 A470 | I22-L143 WeakPolarHBondContact CA-O 3.39Å; L23-L143 PolarHBondContact N-O 3.38Å; L143-I145 HydrophobicContact CD2-CG1 4.42Å; L143-A164 HydrophobicContact CD1-CB 3.82Å; L143-V166 HydrophobicContact CD2-CG1 4.3Å; L143-V166 HydrophobicContact CD2-CG2 4.09Å; L143-V466 HydrophobicContact CD2-CB 4.47Å; L143-V466 HydrophobicContact CD2-CG1 3.7Å; L143-A469 HydrophobicContact CD1-CB 3.76Å; L143-A469 HydrophobicContact CD2-CB 4.13Å; L143-A470 HydrophobicContact CB-CB 3.94Å; L143-A470 HydrophobicContact CD2-CB 4.43Å |
| 144 | A | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 155 | 163.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L23 F157 I162 A164 H165 V166 | L23-A144 HydrophobicContact CB-CB 4.2Å; L23-A144 CarbonylContact O-C 3.57Å; L23-A144 WeakPolarHBondContact O-CA 3.26Å; A144-F157 HydrophobicContact CB-CD1 3.73Å; A144-F157 HydrophobicContact CB-CD2 4.18Å; A144-F157 HydrophobicContact CB-CE1 3.33Å; A144-F157 HydrophobicContact CB-CE2 3.8Å; A144-F157 HydrophobicContact CB-CG 4.16Å; A144-F157 HydrophobicContact CB-CZ 3.36Å; A144-I162 HydrophobicContact CB-CD1 4.05Å; A144-I162 HydrophobicContact CB-CG1 3.76Å; A144-A164 PolarHBondContact N-O 3.23Å; A144-H165 HydrophobicContact CB-CB 4.45Å; A144-H165 CarbonylContact O-C 3.54Å; A144-H165 WeakPolarHBondContact O-CA 3.31Å; A144-H165 WeakPolarHBondContact O-CB 3.46Å; A144-V166 PolarHBondContact O-N 3.43Å |
| 145 | I | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 132.3 | -178.3 | -51.7 | -169.2 | 0 | 0 | 0 | 108.2 | I22 L23 L24 Y25 L44 L143 V166 I168 V466 | I22-I145 HydrophobicContact CG2-CD1 3.75Å; I22-I145 HydrophobicContact CG2-CG1 3.83Å; L23-I145 PolarHBondContact O-N 3.47Å; L24-I145 CarbonylContact C-O 3.38Å; L24-I145 WeakPolarHBondContact CA-O 3.45Å; L24-I145 HydrophobicContact CB-CB 4.36Å; L24-I145 HydrophobicContact CD1-CB 4.2Å; L24-I145 HydrophobicContact CD1-CD1 4.49Å; L24-I145 HydrophobicContact CD1-CG2 4.07Å; L24-I145 HydrophobicContact CG-CB 4.03Å; L24-I145 HydrophobicContact CG-CG2 4.19Å; Y25-I145 PolarHBondContact N-O 2.99Å; L44-I145 HydrophobicContact CD1-CD1 3.58Å; L143-I145 HydrophobicContact CD2-CG1 4.42Å; I145-V166 WeakPolarHBondContact CA-O 3.43Å; I145-V166 HydrophobicContact CB-CG2 4.22Å; I145-V166 HydrophobicContact CD1-CG2 3.95Å; I145-V166 HydrophobicContact CG1-CG2 3.6Å; I145-V166 HydrophobicContact CG2-CG2 4.12Å; I145-I168 HydrophobicContact CG2-CD1 3.55Å; I145-I168 HydrophobicContact CG2-CG1 3.77Å; I145-V466 HydrophobicContact CD1-CG1 4.2Å; I145-V466 HydrophobicContact CD1-CG2 4.13Å |
| 146 | T | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 163.4 | 170 | -165.7 | 0 | 0 | 0 | 0 | 110.6 | Y25 Y154 F157 V166 A167 I168 | Y25-T146 WeakPolarHBondContact CD1-OG1 3.46Å; T146-Y154 HydrophobicContact CG2-CD1 4.16Å; T146-Y154 HydrophobicContact CG2-CD2 4.35Å; T146-Y154 HydrophobicContact CG2-CE1 3.65Å; T146-Y154 HydrophobicContact CG2-CE2 3.85Å; T146-Y154 HydrophobicContact CG2-CG 4.47Å; T146-Y154 VanDerWaalsContact CG2-CZ 3.43Å; T146-F157 HydrophobicContact CG2-CE2 3.68Å; T146-F157 HydrophobicContact CG2-CZ 3.97Å; T146-V166 PolarHBondContact N-O 2.93Å; T146-A167 WeakPolarHBondContact O-CA 2.98Å; T146-I168 PolarHBondContact O-N 3.26Å |
| 147 | E | 98 | Very high | 97.6 | Very high | 7 Ų | 7 | 23.8 Ų | 23.8 | 3% | 0.033 | 13% | 0.128 | C | C | . | . | trans | -92.8 | 130.3 | 165.2 | 178.7 | 177.7 | -145.3 | 0 | 0 | 110.1 | H33 L37 F149 D150 I168 T170 F174 | H33-E147 IonicContact CE1-OE1 2.58Å; H33-E147 IonicContact CE1-OE2 3.28Å; H33-E147 IonicContact CG-OE2 2.83Å; H33-E147 IonicContact ND1-OE1 3.45Å; H33-E147 PolarHBondContact ND1-OE1 3.41Å; H33-E147 IonicContact ND1-OE2 2.89Å; H33-E147 PolarHBondContact ND1-OE2 2.83Å; L37-E147 HydrophobicContact CD1-CB 3.99Å; L37-E147 HydrophobicContact CD2-CB 4.4Å; E147-F149 HydrophobicContact CG-CB 3.65Å; E147-F149 PolarHBondContact O-N 2.92Å; E147-D150 PolarHBondContact O-N 3.26Å; E147-I168 VanDerWaalsContact CA-O 3.24Å; E147-I168 WeakPolarHBondContact CA-O 3.38Å; E147-I168 VanDerWaalsContact CB-O 3.28Å; E147-I168 WeakPolarHBondContact CB-O 3.41Å; E147-I168 VanDerWaalsContact CG-O 3.29Å; E147-I168 WeakPolarHBondContact CG-O 3.46Å; E147-T170 VanDerWaalsContact OE1-CB 3.26Å; E147-T170 WeakPolarHBondContact OE1-CB 3.43Å; E147-T170 VanDerWaalsContact OE1-CG2 3.31Å; E147-T170 WeakPolarHBondContact OE1-CG2 3.42Å; E147-T170 PolarHBondContact OE1-N 3.15Å; E147-T170 PolarHBondContact OE1-OG1 2.95Å; E147-F174 HydrophobicContact CG-CE2 4.12Å; E147-F174 WeakPolarHBondContact OE1-CZ 3.32Å | ||
| 148 | P | 96.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | 16.4 | 177.1 | 30.3 | -34.9 | 0 | 0 | 0 | 114.9 | Y154 A167 L169 F174 H176 V177 L245 | P148-Y154 HydrophobicContact CB-CE2 3.92Å; P148-A167 HydrophobicContact CG-CB 4.42Å; P148-L169 HydrophobicContact CG-CD1 3.61Å; P148-L169 HydrophobicContact CG-CG 4.09Å; P148-F174 HydrophobicContact CG-CD2 4.27Å; P148-H176 PolarHBondContact O-NE2 3.45Å; P148-V177 HydrophobicContact CB-CG2 3.61Å; P148-V177 HydrophobicContact CG-CG2 3.39Å; P148-L245 HydrophobicContact CB-CD1 4.25Å; P148-L245 HydrophobicContact CB-CD2 4.29Å |
| 149 | F | 93.5 | Very high | 97.6 | Very high | 18 Ų | 18 | 17.3 Ų | 17.3 | 8% | 0.079 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -39.2 | 166.9 | -173.7 | -92.5 | 0 | 0 | 0 | 110.3 | F29 H33 F119 E147 F174 F220 | F29-F149 AromaticContact CD1-CE1 3.7Å; F29-F149 HydrophobicContact CD1-CE1 3.7Å; F29-F149 HydrophobicContact CD1-CZ 4.44Å; F29-F149 AromaticContact CE1-CE1 3.53Å; F29-F149 HydrophobicContact CE1-CE1 3.53Å; F29-F149 AromaticContact CE1-CZ 3.85Å; F29-F149 HydrophobicContact CE1-CZ 3.85Å; H33-F149 AromaticContact CE1-CD2 3.86Å; H33-F149 AromaticContact CE1-CG 3.91Å; F119-F149 HydrophobicContact CE1-CD1 4.12Å; F119-F149 HydrophobicContact CE1-CE1 4.19Å; F119-F149 HydrophobicContact CE2-CE1 4.39Å; F119-F149 AromaticContact CZ-CD1 3.97Å; F119-F149 HydrophobicContact CZ-CD1 3.97Å; F119-F149 AromaticContact CZ-CE1 3.59Å; F119-F149 HydrophobicContact CZ-CE1 3.59Å; E147-F149 HydrophobicContact CG-CB 3.65Å; E147-F149 PolarHBondContact O-N 2.92Å; F149-F174 HydrophobicContact CB-CE2 4.1Å; F149-F174 HydrophobicContact CB-CZ 4.12Å; F149-F174 HydrophobicContact CD2-CE1 4.14Å; F149-F174 AromaticContact CD2-CZ 3.94Å; F149-F174 HydrophobicContact CD2-CZ 3.94Å; F149-F174 HydrophobicContact CG-CZ 4.47Å; F149-F220 HydrophobicContact CD2-CD1 4.32Å; F149-F220 AromaticContact CD2-CE1 3.94Å; F149-F220 HydrophobicContact CD2-CE1 3.94Å; F149-F220 HydrophobicContact CE2-CD1 4.22Å; F149-F220 AromaticContact CE2-CE1 3.49Å; F149-F220 HydrophobicContact CE2-CE1 3.49Å; F149-F220 VanDerWaalsContact CE2-CE1 3.49Å; F149-F220 HydrophobicContact CE2-CZ 4.3Å; F149-F220 HydrophobicContact CZ-CE1 4.41Å |
| 150 | D | 94.9 | Very high | 97.6 | Very high | 5 Ų | 5 | 14.8 Ų | 14.8 | 3% | 0.027 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -106.3 | 105.4 | 167.9 | -173.1 | -23.3 | 0 | 0 | 0 | 108.7 | Y25 N27 F119 E147 C152 | Y25-D150 HydrophobicContact CE1-CB 4.31Å; Y25-D150 WeakPolarHBondContact CE1-OD2 3.39Å; N27-D150 VanDerWaalsContact ND2-CB 3.33Å; N27-D150 WeakPolarHBondContact ND2-CB 3.39Å; N27-D150 PolarHBondContact ND2-OD2 3.29Å; F119-D150 HydrophobicContact CD1-CB 4.13Å; F119-D150 HydrophobicContact CE1-CB 3.77Å; E147-D150 PolarHBondContact O-N 3.26Å; D150-C152 VanDerWaalsContact C-N 3.29Å; D150-C152 PolarHBondContact O-N 2.89Å; D150-C152 WeakPolarHBondContact OD1-CB 3.45Å; D150-C152 PolarHBondContact OD1-N 2.87Å |
| 151 | T | 96.7 | Very high | 97.6 | Very high | 4 Ų | 4 | 14.6 Ų | 14.6 | 3% | 0.025 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -5.3 | -174.6 | 75.7 | 0 | 0 | 0 | 0 | 112.9 | G153 Y154 A155 G224 D227 W241 | T151-G153 PolarHBondContact O-N 3.45Å; T151-Y154 WeakPolarHBondContact O-CB 3.06Å; T151-Y154 PolarHBondContact O-N 3Å; T151-A155 PolarHBondContact O-N 3.09Å; T151-G224 WeakPolarHBondContact OG1-CA 3.49Å; T151-G224 PolarHBondContact OG1-O 3.43Å; T151-D227 PolarHBondContact N-OD2 3.26Å; T151-D227 VanDerWaalsContact OG1-CB 3.27Å; T151-D227 WeakPolarHBondContact OG1-CB 3.22Å; T151-D227 PolarHBondContact OG1-OD2 2.85Å; T151-W241 HydrophobicContact CG2-CB 4.21Å; T151-W241 HydrophobicContact CG2-CD2 4.13Å; T151-W241 HydrophobicContact CG2-CE3 4.5Å; T151-W241 HydrophobicContact CG2-CG 3.99Å |
| 152 | C | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -57.3 | -30.3 | 173.1 | -168.3 | 0 | 0 | 0 | 0 | 111.8 | Y25 C123 D150 Y154 A155 L156 D227 | Y25-C152 WeakPolarHBondContact OH-CB 3.41Å; C123-C152 WeakPolarHBondContact CA-SG 3.43Å; C123-C152 HydrophobicContact CB-CB 3.59Å; C123-C152 WeakPolarHBondContact CB-SG 3.44Å; C123-C152 WeakPolarHBondContact SG-CB 3.28Å; C123-C152 CovalentContact SG-SG 2.04Å; C123-C152 PolarHBondContact SG-SG 2.87Å; D150-C152 VanDerWaalsContact C-N 3.29Å; D150-C152 PolarHBondContact O-N 2.89Å; D150-C152 WeakPolarHBondContact OD1-CB 3.45Å; D150-C152 PolarHBondContact OD1-N 2.87Å; C152-Y154 PolarHBondContact O-N 3.5Å; C152-A155 WeakPolarHBondContact O-CB 3.37Å; C152-A155 PolarHBondContact O-N 3.25Å; C152-A155 VanDerWaalsContact O-N 3.1Å; C152-L156 PolarHBondContact O-N 3.27Å; C152-D227 HydrophobicContact CB-CB 4.43Å; C152-D227 PolarHBondContact N-OD2 3.39Å |
| 153 | G | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -52.9 | -38.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T151 L156 F157 | T151-G153 PolarHBondContact O-N 3.45Å; G153-L156 WeakPolarHBondContact O-CB 3.4Å; G153-L156 PolarHBondContact O-N 3.45Å; G153-F157 WeakPolarHBondContact O-CB 3.38Å; G153-F157 WeakPolarHBondContact O-CD1 3.4Å; G153-F157 WeakPolarHBondContact O-CE1 3.23Å; G153-F157 WeakPolarHBondContact O-CG 3.27Å; G153-F157 PolarHBondContact O-N 2.94Å |
| 154 | Y | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -73.2 | -36.6 | 176.6 | -61.3 | -67.2 | 0 | 0 | 0 | 112.9 | T146 P148 T151 C152 L156 F157 E158 H165 W241 I244 L245 | T146-Y154 HydrophobicContact CG2-CD1 4.16Å; T146-Y154 HydrophobicContact CG2-CD2 4.35Å; T146-Y154 HydrophobicContact CG2-CE1 3.65Å; T146-Y154 HydrophobicContact CG2-CE2 3.85Å; T146-Y154 HydrophobicContact CG2-CG 4.47Å; T146-Y154 VanDerWaalsContact CG2-CZ 3.43Å; P148-Y154 HydrophobicContact CB-CE2 3.92Å; T151-Y154 WeakPolarHBondContact O-CB 3.06Å; T151-Y154 PolarHBondContact O-N 3Å; C152-Y154 PolarHBondContact O-N 3.5Å; Y154-L156 VanDerWaalsContact C-N 3.31Å; Y154-F157 HydrophobicContact CD1-CD2 4.14Å; Y154-F157 HydrophobicContact CD1-CE2 4.48Å; Y154-F157 PolarHBondContact O-N 3.02Å; Y154-E158 PolarHBondContact O-N 2.64Å; Y154-H165 AromaticContact CE1-CD2 3.77Å; Y154-H165 AromaticContact CE1-NE2 3.79Å; Y154-W241 HydrophobicContact CD2-CB 3.84Å; Y154-W241 HydrophobicContact CG-CB 4.27Å; Y154-I244 HydrophobicContact CD1-CB 4.29Å; Y154-I244 HydrophobicContact CD1-CG2 3.67Å; Y154-I244 HydrophobicContact CG-CG2 4.29Å; Y154-I244 WeakPolarHBondContact O-CD1 3.46Å; Y154-L245 HydrophobicContact CE1-CB 4.28Å; Y154-L245 HydrophobicContact CE1-CD1 4.37Å; Y154-L245 HydrophobicContact CE2-CB 4.37Å; Y154-L245 HydrophobicContact CE2-CD1 4.48Å; Y154-L245 VanDerWaalsContact OH-CD1 3.28Å; Y154-L245 WeakPolarHBondContact OH-CD1 3.26Å |
| 155 | A | 98.4 | Very high | 97.5 | Very high | 4 Ų | 4 | 19.6 Ų | 19.6 | 3% | 0.033 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.6 | -41.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | T151 C152 E158 A159 A231 I237 | T151-A155 PolarHBondContact O-N 3.09Å; C152-A155 WeakPolarHBondContact O-CB 3.37Å; C152-A155 PolarHBondContact O-N 3.25Å; C152-A155 VanDerWaalsContact O-N 3.1Å; A155-E158 PolarHBondContact O-N 3.27Å; A155-A159 WeakPolarHBondContact O-CB 3.35Å; A155-A159 PolarHBondContact O-N 2.92Å; A155-A231 HydrophobicContact CB-CB 3.47Å; A155-A231 VanDerWaalsContact CB-CB 3.47Å; A155-I237 HydrophobicContact CB-CD1 3.65Å |
| 156 | L | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.9 | -46.6 | 173 | -178.4 | 74.3 | 0 | 0 | 0 | 111.7 | Y25 L54 I127 L133 L136 C152 G153 Y154 E158 A159 I160 | Y25-L156 HydrophobicContact CD2-CD2 3.62Å; Y25-L156 HydrophobicContact CE2-CD2 4.07Å; L54-L156 HydrophobicContact CD2-CD2 3.47Å; L54-L156 VanDerWaalsContact CD2-CD2 3.47Å; I127-L156 HydrophobicContact CD1-CB 4.25Å; I127-L156 HydrophobicContact CD1-CD1 4.22Å; L133-L156 HydrophobicContact CD2-CD1 3.38Å; L136-L156 HydrophobicContact CD1-CD1 3.88Å; L136-L156 HydrophobicContact CD1-CD2 4.12Å; L136-L156 HydrophobicContact CD1-CG 4.38Å; C152-L156 PolarHBondContact O-N 3.27Å; G153-L156 WeakPolarHBondContact O-CB 3.4Å; G153-L156 PolarHBondContact O-N 3.45Å; Y154-L156 VanDerWaalsContact C-N 3.31Å; L156-E158 VanDerWaalsContact C-N 3.28Å; L156-E158 PolarHBondContact O-N 3.27Å; L156-A159 PolarHBondContact O-N 3.36Å; L156-A159 VanDerWaalsContact O-N 3.15Å; L156-I160 HydrophobicContact CD1-CG2 4.43Å; L156-I160 WeakPolarHBondContact O-CG1 3.39Å; L156-I160 PolarHBondContact O-N 3.48Å |
| 157 | F | 98.2 | Very high | 97.5 | Very high | 3 Ų | 3 | 19.5 Ų | 19.5 | 1% | 0.013 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59.4 | -39.1 | 179.3 | -70.1 | 0.2 | 0 | 0 | 0 | 112.3 | A144 T146 G153 Y154 N161 I162 H165 | A144-F157 HydrophobicContact CB-CD1 3.73Å; A144-F157 HydrophobicContact CB-CD2 4.18Å; A144-F157 HydrophobicContact CB-CE1 3.33Å; A144-F157 HydrophobicContact CB-CE2 3.8Å; A144-F157 HydrophobicContact CB-CG 4.16Å; A144-F157 HydrophobicContact CB-CZ 3.36Å; T146-F157 HydrophobicContact CG2-CE2 3.68Å; T146-F157 HydrophobicContact CG2-CZ 3.97Å; G153-F157 WeakPolarHBondContact O-CB 3.38Å; G153-F157 WeakPolarHBondContact O-CD1 3.4Å; G153-F157 WeakPolarHBondContact O-CE1 3.23Å; G153-F157 WeakPolarHBondContact O-CG 3.27Å; G153-F157 PolarHBondContact O-N 2.94Å; Y154-F157 HydrophobicContact CD1-CD2 4.14Å; Y154-F157 HydrophobicContact CD1-CE2 4.48Å; Y154-F157 PolarHBondContact O-N 3.02Å; F157-N161 PolarHBondContact O-N 2.83Å; F157-N161 VanDerWaalsContact O-N 3.17Å; F157-I162 HydrophobicContact CB-CB 4.45Å; F157-I162 HydrophobicContact CB-CG2 3.57Å; F157-I162 HydrophobicContact CD2-CG2 4.4Å; F157-I162 HydrophobicContact CG-CG2 3.97Å; F157-I162 PolarHBondContact O-N 2.85Å; F157-H165 HydrophobicContact CD2-CB 3.87Å; F157-H165 HydrophobicContact CE2-CB 3.82Å |
| 158 | E | 97.6 | Very high | 97.5 | Very high | 34 Ų | 34 | 19.2 Ų | 19.2 | 16% | 0.159 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -65.1 | -48.2 | 172.7 | -172.9 | 69.8 | 172.8 | 0 | 0 | 111.6 | Y154 A155 L156 I160 N161 I237 R239 I244 | Y154-E158 PolarHBondContact O-N 2.64Å; A155-E158 PolarHBondContact O-N 3.27Å; L156-E158 VanDerWaalsContact C-N 3.28Å; L156-E158 PolarHBondContact O-N 3.27Å; E158-I160 VanDerWaalsContact C-N 3.3Å; E158-I160 PolarHBondContact O-N 3.23Å; E158-N161 PolarHBondContact O-N 2.89Å; E158-N161 VanDerWaalsContact O-N 3.07Å; E158-I237 HydrophobicContact CB-CB 4.37Å; E158-I237 HydrophobicContact CB-CG2 3.87Å; E158-I237 HydrophobicContact CG-CB 3.79Å; E158-I237 HydrophobicContact CG-CG2 3.55Å; E158-R239 VanDerWaalsContact CD-NE 3.33Å; E158-R239 IonicContact OE1-CZ 3.69Å; E158-R239 IonicContact OE1-NE 3.94Å; E158-R239 PolarHBondContact OE1-NE 3.28Å; E158-R239 IonicContact OE1-NH2 2.87Å; E158-R239 IonicContact OE2-CZ 3.65Å; E158-R239 IonicContact OE2-NE 2.85Å; E158-R239 PolarHBondContact OE2-NE 3.42Å; E158-R239 VanDerWaalsContact OE2-NE 3.09Å; E158-R239 IonicContact OE2-NH2 2.8Å; E158-R239 PolarHBondContact OE2-NH2 3.45Å; E158-I244 HydrophobicContact CB-CD1 3.85Å; E158-I244 HydrophobicContact CG-CD1 4.42Å |
| 159 | A | 97.9 | Very high | 97.5 | Very high | 24 Ų | 24 | 19.4 Ų | 19.4 | 20% | 0.198 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.3 | -36.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | L133 A155 L156 V235 I237 | L133-A159 HydrophobicContact CD1-CB 4.29Å; L133-A159 HydrophobicContact CD2-CB 4.23Å; A155-A159 WeakPolarHBondContact O-CB 3.35Å; A155-A159 PolarHBondContact O-N 2.92Å; L156-A159 PolarHBondContact O-N 3.36Å; L156-A159 VanDerWaalsContact O-N 3.15Å; A159-V235 HydrophobicContact CB-CG1 4.17Å; A159-V235 HydrophobicContact CB-CG2 4.02Å; A159-I237 HydrophobicContact CB-CG2 4.08Å |
| 160 | I | 97.7 | Very high | 97.6 | Very high | 11 Ų | 11 | 19 Ų | 19 | 6% | 0.056 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -2.3 | 178.2 | 73.8 | 178.2 | 0 | 0 | 0 | 113.3 | L23 L133 L136 K137 L156 E158 I162 | L23-I160 HydrophobicContact CD2-CD1 3.73Å; L133-I160 HydrophobicContact CD2-CG2 4.21Å; L136-I160 HydrophobicContact CB-CD1 4.35Å; L136-I160 HydrophobicContact CB-CG2 3.94Å; K137-I160 HydrophobicContact CB-CB 4.41Å; L156-I160 HydrophobicContact CD1-CG2 4.43Å; L156-I160 WeakPolarHBondContact O-CG1 3.39Å; L156-I160 PolarHBondContact O-N 3.48Å; E158-I160 VanDerWaalsContact C-N 3.3Å; E158-I160 PolarHBondContact O-N 3.23Å; I160-I162 HydrophobicContact CD1-CD1 4.48Å; I160-I162 HydrophobicContact CG1-CB 4.37Å |
| 161 | N | 96.3 | Very high | 97.6 | Very high | 124 Ų | 124 | 19.1 Ų | 19.1 | 66% | 0.663 | 10% | 0.095 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 52.7 | -177.2 | -169.6 | 40.4 | 0 | 0 | 0 | 113 | F157 E158 R163 | F157-N161 PolarHBondContact O-N 2.83Å; F157-N161 VanDerWaalsContact O-N 3.17Å; E158-N161 PolarHBondContact O-N 2.89Å; E158-N161 VanDerWaalsContact O-N 3.07Å; N161-R163 PolarHBondContact O-N 3.35Å |
| 162 | I | 97.5 | Very high | 97.4 | Very high | 21 Ų | 21 | 19.2 Ų | 19.2 | 11% | 0.108 | 10% | 0.095 | C | C | . | . | trans | -63.1 | 137.4 | 178.2 | -161.5 | 73.1 | 0 | 0 | 0 | 110.6 | A144 F157 I160 A164 | A144-I162 HydrophobicContact CB-CD1 4.05Å; A144-I162 HydrophobicContact CB-CG1 3.76Å; F157-I162 HydrophobicContact CB-CB 4.45Å; F157-I162 HydrophobicContact CB-CG2 3.57Å; F157-I162 HydrophobicContact CD2-CG2 4.4Å; F157-I162 HydrophobicContact CG-CG2 3.97Å; F157-I162 PolarHBondContact O-N 2.85Å; I160-I162 HydrophobicContact CD1-CD1 4.48Å; I160-I162 HydrophobicContact CG1-CB 4.37Å; I162-A164 WeakPolarHBondContact CG1-O 3.22Å | ||
| 163 | R | 96.3 | Very high | 97.1 | Very high | 152 Ų | 152 | 20.2 Ų | 20.2 | 57% | 0.574 | 10% | 0.099 | S | C | * | . | S | Bend | trans | -64 | -44.1 | 179.8 | 177.4 | -179.7 | 167.1 | 179.1 | -8.7 | 112.4 | N161 K474 | N161-R163 PolarHBondContact O-N 3.35Å; R163-K474 WeakPolarHBondContact O-CE 3.45Å |
| 164 | A | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | trans | -154.9 | 160.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L143 A144 I162 G473 | L143-A164 HydrophobicContact CD1-CB 3.82Å; A144-A164 PolarHBondContact N-O 3.23Å; I162-A164 WeakPolarHBondContact CG1-O 3.22Å; A164-G473 VanDerWaalsContact CB-CA 3.46Å | ||
| 165 | H | 98.8 | Very high | 96.7 | Very high | 3 Ų | 3 | 20.5 Ų | 20.5 | 1% | 0.014 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 167.6 | 176.3 | 63.7 | -82.6 | 0 | 0 | 0 | 112.1 | A144 Y154 F157 I244 A248 S249 | A144-H165 HydrophobicContact CB-CB 4.45Å; A144-H165 CarbonylContact O-C 3.54Å; A144-H165 WeakPolarHBondContact O-CA 3.31Å; A144-H165 WeakPolarHBondContact O-CB 3.46Å; Y154-H165 AromaticContact CE1-CD2 3.77Å; Y154-H165 AromaticContact CE1-NE2 3.79Å; F157-H165 HydrophobicContact CD2-CB 3.87Å; F157-H165 HydrophobicContact CE2-CB 3.82Å; H165-I244 PolarHBondContact CE1-O 3.21Å; H165-I244 PolarHBondContact NE2-O 3.42Å; H165-A248 WeakPolarHBondContact NE2-CA 3.41Å; H165-A248 WeakPolarHBondContact NE2-CB 3.16Å; H165-A248 PolarHBondContact NE2-N 2.93Å; H165-A248 WeakPolarHBondContact O-CA 3.15Å; H165-S249 PolarHBondContact O-N 3.01Å; H165-S249 PolarHBondContact O-OG 3.37Å |
| 166 | V | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 152.7 | 166.8 | -64.4 | 0 | 0 | 0 | 0 | 109.5 | L143 A144 I145 T146 F250 L252 V466 A469 | L143-V166 HydrophobicContact CD2-CG1 4.3Å; L143-V166 HydrophobicContact CD2-CG2 4.09Å; A144-V166 PolarHBondContact O-N 3.43Å; I145-V166 WeakPolarHBondContact CA-O 3.43Å; I145-V166 HydrophobicContact CB-CG2 4.22Å; I145-V166 HydrophobicContact CD1-CG2 3.95Å; I145-V166 HydrophobicContact CG1-CG2 3.6Å; I145-V166 HydrophobicContact CG2-CG2 4.12Å; T146-V166 PolarHBondContact N-O 2.93Å; V166-F250 HydrophobicContact CG1-CB 4.36Å; V166-F250 HydrophobicContact CG1-CD2 4.43Å; V166-L252 HydrophobicContact CG2-CD1 4.44Å; V166-V466 HydrophobicContact CG2-CG2 4.3Å; V166-A469 HydrophobicContact CG1-CB 3.63Å |
| 167 | A | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 136.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | T146 P148 L169 L245 F250 I251 L252 | T146-A167 WeakPolarHBondContact O-CA 2.98Å; P148-A167 HydrophobicContact CG-CB 4.42Å; A167-L169 HydrophobicContact CB-CD1 4.4Å; A167-L245 HydrophobicContact CB-CD1 3.98Å; A167-F250 PolarHBondContact N-O 2.95Å; A167-F250 VanDerWaalsContact N-O 3.14Å; A167-I251 HydrophobicContact CB-CD1 3.7Å; A167-L252 WeakPolarHBondContact O-CB 3.15Å; A167-L252 PolarHBondContact O-N 3.44Å |
| 168 | I | 98.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 119.7 | 167.8 | -64.6 | 178.5 | 0 | 0 | 0 | 108.3 | L37 A40 I145 T146 E147 L252 I272 L462 | L37-I168 HydrophobicContact CD2-CB 3.91Å; L37-I168 HydrophobicContact CD2-CD1 4.45Å; L37-I168 HydrophobicContact CD2-CG2 3.93Å; A40-I168 HydrophobicContact CB-CD1 3.67Å; I145-I168 HydrophobicContact CG2-CD1 3.55Å; I145-I168 HydrophobicContact CG2-CG1 3.77Å; T146-I168 PolarHBondContact O-N 3.26Å; E147-I168 VanDerWaalsContact CA-O 3.24Å; E147-I168 WeakPolarHBondContact CA-O 3.38Å; E147-I168 VanDerWaalsContact CB-O 3.28Å; E147-I168 WeakPolarHBondContact CB-O 3.41Å; E147-I168 VanDerWaalsContact CG-O 3.29Å; E147-I168 WeakPolarHBondContact CG-O 3.46Å; I168-L252 CarbonylContact C-O 3.51Å; I168-L252 WeakPolarHBondContact CA-O 3.16Å; I168-L252 HydrophobicContact CD1-CD1 4.36Å; I168-L252 HydrophobicContact CG1-CB 4.09Å; I168-L252 HydrophobicContact CG1-CD1 3.9Å; I168-I272 HydrophobicContact CG2-CD1 4.29Å; I168-L462 HydrophobicContact CD1-CD1 4.23Å |
| 169 | L | 97.3 | Very high | 96.2 | Very high | 3 Ų | 3 | 23 Ų | 23 | 2% | 0.016 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 123.3 | 172.3 | -79.4 | 65.4 | 0 | 0 | 0 | 108.7 | P148 A167 A171 F174 V177 I251 L252 T253 N254 | P148-L169 HydrophobicContact CG-CD1 3.61Å; P148-L169 HydrophobicContact CG-CG 4.09Å; A167-L169 HydrophobicContact CB-CD1 4.4Å; L169-A171 VanDerWaalsContact C-N 3.27Å; L169-F174 HydrophobicContact CB-CD2 4.37Å; L169-F174 HydrophobicContact CB-CE2 4.24Å; L169-F174 HydrophobicContact CD2-CB 4.35Å; L169-F174 HydrophobicContact CD2-CD2 3.76Å; L169-F174 HydrophobicContact CD2-CE2 4.44Å; L169-F174 HydrophobicContact CD2-CG 4.23Å; L169-F174 HydrophobicContact CG-CD2 3.61Å; L169-F174 HydrophobicContact CG-CE2 3.89Å; L169-V177 HydrophobicContact CD1-CG1 4.45Å; L169-V177 HydrophobicContact CD2-CG1 4.36Å; L169-I251 HydrophobicContact CD1-CG2 3.56Å; L169-L252 PolarHBondContact N-O 2.93Å; L169-T253 HydrophobicContact CD2-CG2 4.4Å; L169-N254 VanDerWaalsContact O-CB 3.3Å; L169-N254 WeakPolarHBondContact O-CB 3.3Å; L169-N254 PolarHBondContact O-N 3.46Å |
| 170 | T | 95.4 | Very high | 96.1 | Very high | 11 Ų | 11 | 22.2 Ų | 22.2 | 7% | 0.067 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -80 | -12.3 | 174.5 | 69.4 | 0 | 0 | 0 | 0 | 113.1 | H33 V36 L37 E147 N254 | H33-T170 HydrophobicContact CB-CG2 4.35Å; H33-T170 PolarHBondContact CE1-OG1 3.31Å; H33-T170 PolarHBondContact ND1-OG1 3.47Å; V36-T170 HydrophobicContact CB-CG2 3.68Å; V36-T170 HydrophobicContact CG1-CG2 3.83Å; V36-T170 HydrophobicContact CG2-CG2 4.43Å; L37-T170 HydrophobicContact CD2-CG2 4.49Å; L37-T170 HydrophobicContact CG-CG2 4.04Å; E147-T170 VanDerWaalsContact OE1-CB 3.26Å; E147-T170 WeakPolarHBondContact OE1-CB 3.43Å; E147-T170 VanDerWaalsContact OE1-CG2 3.31Å; E147-T170 WeakPolarHBondContact OE1-CG2 3.42Å; E147-T170 PolarHBondContact OE1-N 3.15Å; E147-T170 PolarHBondContact OE1-OG1 2.95Å; T170-N254 WeakPolarHBondContact O-CB 3.3Å; T170-N254 PolarHBondContact O-ND2 3.02Å |
| 171 | A | 94.6 | Very high | 96 | Very high | 7 Ų | 7 | 21.8 Ų | 21.8 | 6% | 0.058 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -94.6 | 170.4 | 167 | 0 | 0 | 0 | 0 | 0 | 112 | L169 R173 F174 N254 | L169-A171 VanDerWaalsContact C-N 3.27Å; A171-R173 VanDerWaalsContact C-N 3.27Å; A171-R173 PolarHBondContact O-N 3.33Å; A171-F174 HydrophobicContact CB-CD1 4.08Å; A171-F174 HydrophobicContact CB-CE1 3.49Å; A171-F174 VanDerWaalsContact CB-CE1 3.49Å; A171-F174 HydrophobicContact CB-CZ 3.82Å; A171-N254 PolarHBondContact O-N 3.27Å |
| 172 | N | 92.8 | Very high | 95.9 | Very high | 6 Ų | 6 | 16.6 Ų | 16.6 | 3% | 0.032 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -60.2 | -40.5 | 172.9 | -73.7 | -56.5 | 0 | 0 | 0 | 111.7 | Q255 L378 R402 N403 | N172-Q255 WeakPolarHBondContact OD1-CA 3.38Å; N172-L378 VanDerWaalsContact ND2-CD1 3.28Å; N172-L378 WeakPolarHBondContact ND2-CD1 3.42Å; N172-R402 PolarHBondContact ND2-NH1 2.97Å; N172-R402 VanDerWaalsContact ND2-NH1 3.16Å; N172-N403 PolarHBondContact ND2-OD1 3.21Å |
| 173 | R | 91.7 | Very high | 95.7 | Very high | 20 Ų | 20 | 16.5 Ų | 16.5 | 8% | 0.075 | 8% | 0.079 | C | C | . | . | trans | -158.7 | 156.9 | -179.9 | -166.4 | 174.4 | 70.1 | -128.9 | -4.4 | 109 | A171 D175 T178 P191 T193 | A171-R173 VanDerWaalsContact C-N 3.27Å; A171-R173 PolarHBondContact O-N 3.33Å; R173-D175 IonicContact CZ-OD1 2.96Å; R173-D175 IonicContact NE-OD1 3.48Å; R173-D175 IonicContact NH2-OD1 2.67Å; R173-D175 PolarHBondContact NH2-OD1 2.94Å; R173-T178 WeakPolarHBondContact CD-OG1 3.33Å; R173-T178 WeakPolarHBondContact CG-OG1 3.44Å; R173-P191 PolarHBondContact NH2-O 3.07Å; R173-T193 WeakPolarHBondContact O-CG2 3.3Å; R173-T193 PolarHBondContact O-OG1 2.84Å | ||
| 174 | F | 94.2 | Very high | 95.5 | Very high | 7 Ų | 7 | 10.9 Ų | 10.9 | 3% | 0.031 | 6% | 0.063 | C | C | . | . | trans | -121.8 | 134.6 | 159.7 | -61.2 | -54.1 | 0 | 0 | 0 | 110 | E147 P148 F149 L169 A171 H176 V177 T178 T193 | E147-F174 HydrophobicContact CG-CE2 4.12Å; E147-F174 WeakPolarHBondContact OE1-CZ 3.32Å; P148-F174 HydrophobicContact CG-CD2 4.27Å; F149-F174 HydrophobicContact CB-CE2 4.1Å; F149-F174 HydrophobicContact CB-CZ 4.12Å; F149-F174 HydrophobicContact CD2-CE1 4.14Å; F149-F174 AromaticContact CD2-CZ 3.94Å; F149-F174 HydrophobicContact CD2-CZ 3.94Å; F149-F174 HydrophobicContact CG-CZ 4.47Å; L169-F174 HydrophobicContact CB-CD2 4.37Å; L169-F174 HydrophobicContact CB-CE2 4.24Å; L169-F174 HydrophobicContact CD2-CB 4.35Å; L169-F174 HydrophobicContact CD2-CD2 3.76Å; L169-F174 HydrophobicContact CD2-CE2 4.44Å; L169-F174 HydrophobicContact CD2-CG 4.23Å; L169-F174 HydrophobicContact CG-CD2 3.61Å; L169-F174 HydrophobicContact CG-CE2 3.89Å; A171-F174 HydrophobicContact CB-CD1 4.08Å; A171-F174 HydrophobicContact CB-CE1 3.49Å; A171-F174 VanDerWaalsContact CB-CE1 3.49Å; A171-F174 HydrophobicContact CB-CZ 3.82Å; F174-H176 VanDerWaalsContact C-N 3.35Å; F174-H176 WeakPolarHBondContact CB-CE1 3.27Å; F174-H176 VanDerWaalsContact CB-ND1 3.33Å; F174-H176 WeakPolarHBondContact CB-ND1 3.45Å; F174-H176 AromaticContact CD2-CE1 3.99Å; F174-H176 AromaticContact CG-CE1 3.76Å; F174-H176 PolarHBondContact O-N 2.79Å; F174-V177 HydrophobicContact CB-CB 4.18Å; F174-V177 HydrophobicContact CB-CG2 3.88Å; F174-V177 HydrophobicContact CD2-CG2 4.16Å; F174-V177 PolarHBondContact O-N 3.41Å; F174-T178 PolarHBondContact O-N 2.92Å; F174-T178 PolarHBondContact O-OG1 3.23Å; F174-T193 HydrophobicContact CD1-CG2 4.44Å | ||
| 175 | D | 94 | Very high | 94.9 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -67.1 | -35.2 | -173.5 | -61.4 | -30.1 | 0 | 0 | 0 | 111.9 | R173 T178 D179 T193 F213 | R173-D175 IonicContact CZ-OD1 2.96Å; R173-D175 IonicContact NE-OD1 3.48Å; R173-D175 IonicContact NH2-OD1 2.67Å; R173-D175 PolarHBondContact NH2-OD1 2.94Å; D175-T178 WeakPolarHBondContact O-CB 3.39Å; D175-T178 PolarHBondContact O-N 3.37Å; D175-D179 PolarHBondContact O-N 3.46Å; D175-T193 PolarHBondContact N-OG1 2.83Å; D175-T193 PolarHBondContact OD1-N 3.25Å; D175-T193 PolarHBondContact OD1-OG1 2.86Å; D175-T193 VanDerWaalsContact OD2-CB 3.3Å; D175-T193 WeakPolarHBondContact OD2-CB 3.46Å; D175-T193 PolarHBondContact OD2-N 3.34Å; D175-T193 PolarHBondContact OD2-OG1 2.79Å; D175-F213 HydrophobicContact CB-CD2 3.91Å; D175-F213 HydrophobicContact CB-CE2 3.62Å; D175-F213 HydrophobicContact CB-CZ 3.99Å; D175-F213 WeakPolarHBondContact OD1-CD2 3.35Å; D175-F213 WeakPolarHBondContact OD1-CE2 3.37Å |
| 176 | H | 94.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -68.6 | -34.9 | 175.4 | 70.1 | -61 | 0 | 0 | 0 | 112.9 | P148 F174 T178 V180 S217 F220 W241 | P148-H176 PolarHBondContact O-NE2 3.45Å; F174-H176 VanDerWaalsContact C-N 3.35Å; F174-H176 WeakPolarHBondContact CB-CE1 3.27Å; F174-H176 VanDerWaalsContact CB-ND1 3.33Å; F174-H176 WeakPolarHBondContact CB-ND1 3.45Å; F174-H176 AromaticContact CD2-CE1 3.99Å; F174-H176 AromaticContact CG-CE1 3.76Å; F174-H176 PolarHBondContact O-N 2.79Å; H176-T178 VanDerWaalsContact C-N 3.35Å; H176-V180 VanDerWaalsContact O-CB 3.3Å; H176-V180 WeakPolarHBondContact O-CB 3.41Å; H176-V180 WeakPolarHBondContact O-CG2 3.42Å; H176-V180 PolarHBondContact O-N 3.43Å; H176-S217 WeakPolarHBondContact CA-OG 3.26Å; H176-S217 WeakPolarHBondContact CB-O 3.37Å; H176-F220 HydrophobicContact CB-CB 3.99Å; H176-F220 AromaticContact CE1-CG 3.97Å; H176-F220 VanDerWaalsContact CG-CB 3.46Å; H176-F220 VanDerWaalsContact ND1-CB 3.26Å; H176-F220 WeakPolarHBondContact ND1-CB 3.37Å; H176-F220 AromaticContact ND1-CG 3.86Å; H176-W241 HydrophobicContact CB-CH2 4.14Å; H176-W241 AromaticContact CD2-CH2 3.67Å; H176-W241 AromaticContact CD2-CZ3 3.77Å |
| 177 | V | 96.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.006 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.8 | -45.2 | 172.3 | 173.1 | 0 | 0 | 0 | 0 | 109.6 | P148 L169 F174 D179 V180 I181 L245 I251 | P148-V177 HydrophobicContact CB-CG2 3.61Å; P148-V177 HydrophobicContact CG-CG2 3.39Å; L169-V177 HydrophobicContact CD1-CG1 4.45Å; L169-V177 HydrophobicContact CD2-CG1 4.36Å; F174-V177 HydrophobicContact CB-CB 4.18Å; F174-V177 HydrophobicContact CB-CG2 3.88Å; F174-V177 HydrophobicContact CD2-CG2 4.16Å; F174-V177 PolarHBondContact O-N 3.41Å; V177-D179 PolarHBondContact O-N 3.1Å; V177-V180 PolarHBondContact O-N 3.31Å; V177-I181 HydrophobicContact CG1-CD1 4.01Å; V177-I181 HydrophobicContact CG1-CG2 4.26Å; V177-I181 WeakPolarHBondContact O-CG1 3.39Å; V177-I181 WeakPolarHBondContact O-CG2 3.43Å; V177-I181 PolarHBondContact O-N 3.47Å; V177-L245 HydrophobicContact CB-CD2 4.37Å; V177-L245 HydrophobicContact CG1-CD2 4.23Å; V177-L245 HydrophobicContact CG2-CD2 4.05Å; V177-I251 HydrophobicContact CG1-CG2 4.31Å |
| 178 | T | 95.2 | Very high | 94 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.012 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.6 | -48.8 | -178.9 | -54.3 | 0 | 0 | 0 | 0 | 111 | R173 F174 D175 H176 G182 Q183 I185 F213 | R173-T178 WeakPolarHBondContact CD-OG1 3.33Å; R173-T178 WeakPolarHBondContact CG-OG1 3.44Å; F174-T178 PolarHBondContact O-N 2.92Å; F174-T178 PolarHBondContact O-OG1 3.23Å; D175-T178 WeakPolarHBondContact O-CB 3.39Å; D175-T178 PolarHBondContact O-N 3.37Å; H176-T178 VanDerWaalsContact C-N 3.35Å; T178-G182 PolarHBondContact O-N 2.9Å; T178-Q183 HydrophobicContact CG2-CB 3.62Å; T178-Q183 HydrophobicContact CG2-CG 3.91Å; T178-Q183 PolarHBondContact O-N 2.92Å; T178-I185 HydrophobicContact CG2-CD1 3.74Å; T178-I185 HydrophobicContact CG2-CG1 3.36Å; T178-F213 HydrophobicContact CG2-CE2 4.33Å; T178-F213 HydrophobicContact CG2-CZ 4.07Å |
| 179 | D | 94.1 | Very high | 93.9 | Very high | 88 Ų | 88 | 23.3 Ų | 23.3 | 47% | 0.471 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -59.5 | -54.5 | 175.4 | -178.1 | 46.1 | 0 | 0 | 0 | 110.9 | D175 V177 I181 G182 | D175-D179 PolarHBondContact O-N 3.46Å; V177-D179 PolarHBondContact O-N 3.1Å; D179-I181 VanDerWaalsContact C-N 3.31Å; D179-I181 PolarHBondContact O-N 2.98Å; D179-G182 PolarHBondContact O-N 3.46Å; D179-G182 VanDerWaalsContact O-N 3.08Å |
| 180 | V | 95.7 | Very high | 93.8 | Very high | 8 Ų | 8 | 23.6 Ų | 23.6 | 5% | 0.048 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68 | -25.6 | -175.7 | 168 | 0 | 0 | 0 | 0 | 112.8 | H176 V177 W241 R242 L245 P246 R483 | H176-V180 VanDerWaalsContact O-CB 3.3Å; H176-V180 WeakPolarHBondContact O-CB 3.41Å; H176-V180 WeakPolarHBondContact O-CG2 3.42Å; H176-V180 PolarHBondContact O-N 3.43Å; V177-V180 PolarHBondContact O-N 3.31Å; V180-W241 HydrophobicContact CB-CH2 4.35Å; V180-W241 HydrophobicContact CB-CZ3 3.92Å; V180-W241 HydrophobicContact CG1-CE3 4.41Å; V180-W241 HydrophobicContact CG1-CZ3 4.01Å; V180-W241 HydrophobicContact CG2-CH2 3.51Å; V180-W241 HydrophobicContact CG2-CZ2 4.46Å; V180-W241 HydrophobicContact CG2-CZ3 3.56Å; V180-R242 HydrophobicContact CG1-CB 4.32Å; V180-R242 HydrophobicContact CG2-CB 4.46Å; V180-R242 HydrophobicContact CG2-CG 3.93Å; V180-L245 HydrophobicContact CB-CD2 4.45Å; V180-L245 HydrophobicContact CG1-CD2 4.07Å; V180-P246 HydrophobicContact CG1-CG 3.8Å; V180-P246 WeakPolarHBondContact O-CG 3.32Å; V180-R483 PolarHBondContact O-NH1 2.84Å; V180-R483 PolarHBondContact O-NH2 3.35Å |
| 181 | I | 96.1 | Very high | 93.8 | Very high | 3 Ų | 3 | 23 Ų | 23 | 2% | 0.015 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -91.3 | -5.1 | 175.1 | 72.4 | -171.3 | 0 | 0 | 0 | 113.5 | V177 D179 Q183 L245 I251 F266 I269 R483 | V177-I181 HydrophobicContact CG1-CD1 4.01Å; V177-I181 HydrophobicContact CG1-CG2 4.26Å; V177-I181 WeakPolarHBondContact O-CG1 3.39Å; V177-I181 WeakPolarHBondContact O-CG2 3.43Å; V177-I181 PolarHBondContact O-N 3.47Å; D179-I181 VanDerWaalsContact C-N 3.31Å; D179-I181 PolarHBondContact O-N 2.98Å; I181-Q183 HydrophobicContact CD1-CB 3.99Å; I181-Q183 HydrophobicContact CG1-CB 3.79Å; I181-L245 HydrophobicContact CG2-CD2 4.41Å; I181-L245 HydrophobicContact CG2-CG 4.11Å; I181-I251 HydrophobicContact CD1-CG1 4.12Å; I181-I251 HydrophobicContact CG2-CD1 4.37Å; I181-I251 HydrophobicContact CG2-CG1 4.49Å; I181-F266 HydrophobicContact CD1-CZ 4.32Å; I181-F266 HydrophobicContact CG1-CZ 4.09Å; I181-I269 HydrophobicContact CD1-CD1 3.45Å; I181-I269 VanDerWaalsContact CD1-CD1 3.45Å; I181-R483 VanDerWaalsContact C-NH1 3.29Å; I181-R483 PolarHBondContact O-NH1 2.94Å |
| 182 | G | 94.2 | Very high | 93.7 | Very high | 14 Ų | 14 | 22.7 Ų | 22.7 | 14% | 0.144 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 30.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | T178 D179 P184 N480 | T178-G182 PolarHBondContact O-N 2.9Å; D179-G182 PolarHBondContact O-N 3.46Å; D179-G182 VanDerWaalsContact O-N 3.08Å; G182-P184 WeakPolarHBondContact O-CD 3.45Å; G182-N480 PolarHBondContact O-ND2 3.26Å |
| 183 | Q | 94.7 | Very high | 93.7 | Very high | 19 Ų | 19 | 22.7 Ų | 22.7 | 9% | 0.089 | 13% | 0.127 | C | C | . | . | trans | -65.3 | 125.3 | 173.4 | 177.4 | 176.2 | 3.5 | 0 | 0 | 110 | T178 I181 I185 F266 | T178-Q183 HydrophobicContact CG2-CB 3.62Å; T178-Q183 HydrophobicContact CG2-CG 3.91Å; T178-Q183 PolarHBondContact O-N 2.92Å; I181-Q183 HydrophobicContact CD1-CB 3.99Å; I181-Q183 HydrophobicContact CG1-CB 3.79Å; Q183-I185 WeakPolarHBondContact O-CG1 3.45Å; Q183-I185 PolarHBondContact O-N 3.44Å; Q183-F266 VanDerWaalsContact CA-CE1 3.45Å; Q183-F266 HydrophobicContact CB-CE1 3.98Å; Q183-F266 HydrophobicContact CB-CZ 4.4Å | ||
| 184 | P | 91 | Very high | 93.6 | Very high | 35 Ų | 35 | 23.4 Ų | 23.4 | 23% | 0.227 | 13% | 0.131 | C | C | . | . | trans | -60.5 | 126.6 | -177.1 | -22.8 | 31.7 | 0 | 0 | 0 | 111.6 | G182 P264 | G182-P184 WeakPolarHBondContact O-CD 3.45Å; P184-P264 HydrophobicContact CB-CB 3.88Å | ||
| 185 | I | 84.7 | Confident | 93.5 | Very high | 65 Ų | 65 | 23.4 Ų | 23.4 | 33% | 0.333 | 13% | 0.132 | S | C | . | . | trans | -106.3 | 115.4 | -178.4 | -62 | 132.8 | 0 | 0 | 0 | 109.5 | T178 Q183 F213 | T178-I185 HydrophobicContact CG2-CD1 3.74Å; T178-I185 HydrophobicContact CG2-CG1 3.36Å; Q183-I185 WeakPolarHBondContact O-CG1 3.45Å; Q183-I185 PolarHBondContact O-N 3.44Å; I185-F213 HydrophobicContact CB-CZ 4.37Å; I185-F213 HydrophobicContact CD1-CD1 4.48Å; I185-F213 HydrophobicContact CD1-CE1 3.41Å; I185-F213 VanDerWaalsContact CD1-CE1 3.41Å; I185-F213 HydrophobicContact CD1-CE2 4.09Å; I185-F213 HydrophobicContact CD1-CZ 3.18Å; I185-F213 HydrophobicContact CG1-CE1 4.02Å; I185-F213 HydrophobicContact CG1-CE2 3.81Å; I185-F213 HydrophobicContact CG1-CZ 3.42Å; I185-F213 VanDerWaalsContact CG1-CZ 3.42Å; I185-F213 HydrophobicContact CG2-CD1 4.43Å; I185-F213 HydrophobicContact CG2-CD2 4.07Å; I185-F213 HydrophobicContact CG2-CE1 4.32Å; I185-F213 HydrophobicContact CG2-CE2 3.93Å; I185-F213 HydrophobicContact CG2-CG 4.34Å; I185-F213 HydrophobicContact CG2-CZ 4.1Å | ||
| 186 | A | 92.7 | Very high | 93.3 | Very high | 19 Ų | 19 | 28.9 Ų | 28.9 | 16% | 0.157 | 16% | 0.158 | C | C | . | . | trans | -101.6 | 68.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | S188 Y189 V190 P264 | A186-S188 PolarHBondContact O-N 2.91Å; A186-Y189 HydrophobicContact CB-CD1 4.03Å; A186-Y189 HydrophobicContact CB-CE1 3.33Å; A186-Y189 HydrophobicContact CB-CE2 4.13Å; A186-Y189 WeakPolarHBondContact CB-OH 3.46Å; A186-Y189 PolarHBondContact O-N 3.4Å; A186-V190 HydrophobicContact CB-CG2 4.14Å; A186-V190 WeakPolarHBondContact O-CB 3.28Å; A186-V190 PolarHBondContact O-N 3.44Å; A186-P264 HydrophobicContact CB-CG 4.02Å | ||
| 187 | S | 92.4 | Very high | 93.2 | Very high | 28 Ų | 28 | 30 Ų | 30 | 20% | 0.196 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -9.8 | -176.1 | 55.9 | 0 | 0 | 0 | 0 | 114.6 | Y189 N209 | S187-Y189 VanDerWaalsContact C-N 3.3Å; S187-N209 PolarHBondContact O-ND2 2.9Å |
| 188 | S | 94.2 | Very high | 93.1 | Very high | 58 Ų | 58 | 30.5 Ų | 30.5 | 41% | 0.406 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -20 | 173.8 | 59.3 | 0 | 0 | 0 | 0 | 114.1 | A186 R206 | A186-S188 PolarHBondContact O-N 2.91Å; S188-R206 VanDerWaalsContact O-CD 3.3Å; S188-R206 WeakPolarHBondContact O-CD 3.41Å; S188-R206 WeakPolarHBondContact O-CG 3.38Å |
| 189 | Y | 95 | Very high | 93.1 | Very high | 95 Ų | 95 | 32.2 Ų | 32.2 | 37% | 0.373 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -146.3 | -7.5 | 177.9 | 66.4 | -97.2 | 0 | 0 | 0 | 114.1 | A186 S187 P191 D199 P264 | A186-Y189 HydrophobicContact CB-CD1 4.03Å; A186-Y189 HydrophobicContact CB-CE1 3.33Å; A186-Y189 HydrophobicContact CB-CE2 4.13Å; A186-Y189 WeakPolarHBondContact CB-OH 3.46Å; A186-Y189 PolarHBondContact O-N 3.4Å; S187-Y189 VanDerWaalsContact C-N 3.3Å; Y189-P191 WeakPolarHBondContact O-CD 3.31Å; Y189-D199 WeakPolarHBondContact O-CA 3.31Å; Y189-D199 WeakPolarHBondContact O-CB 3.3Å; Y189-P264 WeakPolarHBondContact OH-CD 3.44Å; Y189-P264 WeakPolarHBondContact OH-CG 3.47Å |
| 190 | V | 95.7 | Very high | 93.2 | Very high | 8 Ų | 8 | 38.3 Ų | 38.3 | 5% | 0.048 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -98.4 | 113.4 | 173.5 | -179 | 0 | 0 | 0 | 0 | 108.3 | A186 G192 N209 A263 | A186-V190 HydrophobicContact CB-CG2 4.14Å; A186-V190 WeakPolarHBondContact O-CB 3.28Å; A186-V190 PolarHBondContact O-N 3.44Å; V190-G192 PolarHBondContact O-N 3.35Å; V190-N209 PolarHBondContact O-ND2 2.76Å; V190-A263 HydrophobicContact CG1-CB 4.02Å; V190-A263 HydrophobicContact CG2-CB 3.69Å |
| 191 | P | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -63.3 | 135.6 | 176.8 | -21.1 | 33.1 | 0 | 0 | 0 | 110.6 | R173 Y189 T197 M201 N209 F261 R402 | R173-P191 PolarHBondContact NH2-O 3.07Å; Y189-P191 WeakPolarHBondContact O-CD 3.31Å; P191-T197 WeakPolarHBondContact CB-O 3.42Å; P191-T197 WeakPolarHBondContact CG-O 3.47Å; P191-M201 HydrophobicContact CB-CE 4.17Å; P191-M201 HydrophobicContact CG-CE 3.8Å; P191-N209 VanDerWaalsContact CA-OD1 3.26Å; P191-N209 WeakPolarHBondContact CA-OD1 3.38Å; P191-F261 HydrophobicContact CG-CD2 4.09Å; P191-F261 HydrophobicContact CG-CE1 4.4Å; P191-F261 HydrophobicContact CG-CE2 3.82Å; P191-F261 HydrophobicContact CG-CG 4.47Å; P191-F261 HydrophobicContact CG-CZ 3.97Å; P191-R402 HydrophobicContact CB-CG 4.29Å | ||
| 192 | G | 93.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -66.9 | 170.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V190 Q194 S195 N209 R402 | V190-G192 PolarHBondContact O-N 3.35Å; G192-Q194 VanDerWaalsContact C-N 3.3Å; G192-Q194 PolarHBondContact O-N 3.27Å; G192-S195 VanDerWaalsContact O-CB 3.31Å; G192-S195 WeakPolarHBondContact O-CB 3.39Å; G192-S195 PolarHBondContact O-N 3.46Å; G192-S195 VanDerWaalsContact O-N 3.14Å; G192-N209 PolarHBondContact N-OD1 3.15Å; G192-R402 WeakPolarHBondContact O-CD 3.48Å | ||
| 193 | T | 92.4 | Very high | 93.4 | Very high | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -39.2 | -166.8 | -60.1 | 0 | 0 | 0 | 0 | 112.5 | R173 F174 D175 D399 | R173-T193 WeakPolarHBondContact O-CG2 3.3Å; R173-T193 PolarHBondContact O-OG1 2.84Å; F174-T193 HydrophobicContact CD1-CG2 4.44Å; D175-T193 PolarHBondContact N-OG1 2.83Å; D175-T193 PolarHBondContact OD1-N 3.25Å; D175-T193 PolarHBondContact OD1-OG1 2.86Å; D175-T193 VanDerWaalsContact OD2-CB 3.3Å; D175-T193 WeakPolarHBondContact OD2-CB 3.46Å; D175-T193 PolarHBondContact OD2-N 3.34Å; D175-T193 PolarHBondContact OD2-OG1 2.79Å; T193-D399 HydrophobicContact CG2-CB 4.26Å; T193-D399 VanDerWaalsContact O-CA 3.28Å; T193-D399 WeakPolarHBondContact O-CA 3.15Å; T193-D399 WeakPolarHBondContact O-CB 3.48Å |
| 194 | Q | 89.3 | Confident | 93.5 | Very high | 36 Ų | 36 | 51.2 Ų | 51.2 | 17% | 0.168 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | 19.4 | -179.4 | -50.5 | -177.3 | 71.3 | 0 | 0 | 112.5 | M108 G192 Q212 A398 | M108-Q194 VanDerWaalsContact CE-NE2 3.25Å; G192-Q194 VanDerWaalsContact C-N 3.3Å; G192-Q194 PolarHBondContact O-N 3.27Å; Q194-Q212 HydrophobicContact CB-CG 4.35Å; Q194-Q212 VanDerWaalsContact N-NE2 3.14Å; Q194-A398 WeakPolarHBondContact CA-O 3.3Å |
| 195 | S | 91.8 | Very high | 93.7 | Very high | 6 Ų | 6 | 53 Ų | 53 | 4% | 0.042 | 28% | 0.279 | C | S | . | . | trans | -75.4 | 143.3 | 178.7 | -175.4 | 0 | 0 | 0 | 0 | 111.2 | G192 T197 N209 G401 R402 | G192-S195 VanDerWaalsContact O-CB 3.31Å; G192-S195 WeakPolarHBondContact O-CB 3.39Å; G192-S195 PolarHBondContact O-N 3.46Å; G192-S195 VanDerWaalsContact O-N 3.14Å; S195-T197 PolarHBondContact OG-N 3.11Å; S195-T197 PolarHBondContact OG-OG1 2.96Å; S195-N209 VanDerWaalsContact CB-OD1 3.29Å; S195-N209 WeakPolarHBondContact CB-OD1 3.41Å; S195-N209 PolarHBondContact OG-OD1 3.21Å; S195-G401 CarbonylContact O-C 3.57Å; S195-R402 VanDerWaalsContact O-CA 3.3Å; S195-R402 WeakPolarHBondContact O-CA 3.34Å; S195-R402 WeakPolarHBondContact O-CB 3.26Å; S195-R402 PolarHBondContact O-N 2.95Å | ||
| 196 | E | 91.1 | Very high | 94.3 | Very high | 116 Ų | 116 | 55.4 Ų | 55.4 | 54% | 0.542 | 28% | 0.284 | S | S | . | . | trans | -95.7 | 2.6 | 174.5 | -59.4 | -169.4 | 156.7 | 0 | 0 | 113 | Q405 | E196-Q405 VanDerWaalsContact O-CG 3.23Å; E196-Q405 WeakPolarHBondContact O-CG 3.39Å; E196-Q405 PolarHBondContact O-NE2 3.16Å | ||
| 197 | T | 92.8 | Very high | 94.4 | Very high | 23 Ų | 23 | 59.4 Ų | 59.4 | 14% | 0.141 | 30% | 0.302 | C | S | . | . | trans | -99.9 | 157.1 | -176 | 66.9 | 0 | 0 | 0 | 0 | 112.2 | P191 S195 M201 E205 | P191-T197 WeakPolarHBondContact CB-O 3.42Å; P191-T197 WeakPolarHBondContact CG-O 3.47Å; S195-T197 PolarHBondContact OG-N 3.11Å; S195-T197 PolarHBondContact OG-OG1 2.96Å; T197-M201 WeakPolarHBondContact OG1-CE 3.25Å; T197-E205 HydrophobicContact CG2-CB 3.97Å; T197-E205 HydrophobicContact CG2-CG 3.87Å | ||
| 198 | G | 94.2 | Very high | 94.4 | Very high | 13 Ų | 13 | 60 Ų | 60 | 13% | 0.134 | 31% | 0.313 | C | S | . | . | trans | -90.6 | -171.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R200 M201 | G198-R200 PolarHBondContact O-N 2.97Å; G198-M201 WeakPolarHBondContact O-CE 3.41Å; G198-M201 WeakPolarHBondContact O-CG 3.32Å | ||
| 199 | D | 95.1 | Very high | 94.5 | Very high | 37 Ų | 37 | 57.3 Ų | 57.3 | 20% | 0.198 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -75.6 | -6.1 | 177.8 | 66.5 | -23.6 | 0 | 0 | 0 | 115 | Y189 F261 R409 | Y189-D199 WeakPolarHBondContact O-CA 3.31Å; Y189-D199 WeakPolarHBondContact O-CB 3.3Å; D199-F261 HydrophobicContact CB-CD1 3.77Å; D199-F261 HydrophobicContact CB-CE1 4.13Å; D199-R409 IonicContact OD1-CZ 3.44Å; D199-R409 IonicContact OD1-NH1 3.13Å; D199-R409 PolarHBondContact OD1-NH1 3.23Å; D199-R409 IonicContact OD1-NH2 3.07Å; D199-R409 IonicContact OD2-CZ 3.72Å; D199-R409 IonicContact OD2-NH1 3.37Å; D199-R409 PolarHBondContact OD2-NH1 2.96Å; D199-R409 IonicContact OD2-NH2 2.9Å; D199-R409 PolarHBondContact OD2-NH2 3.29Å |
| 200 | R | 95.8 | Very high | 94.4 | Very high | 217 Ų | 217 | 57.6 Ų | 57.6 | 82% | 0.819 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -109.2 | 87.6 | 175.7 | -64.1 | -176.3 | -178.5 | -158.5 | -0.5 | 109 | G198 | G198-R200 PolarHBondContact O-N 2.97Š|
| 201 | M | 96.1 | Very high | 94.2 | Very high | 26 Ų | 26 | 62.5 Ų | 62.5 | 13% | 0.128 | 32% | 0.316 | C | S | . | . | trans | -105.2 | 138 | -174.1 | -60.7 | 176.7 | -160.5 | 0 | 0 | 111.7 | P191 T197 G198 E205 R206 N209 | P191-M201 HydrophobicContact CB-CE 4.17Å; P191-M201 HydrophobicContact CG-CE 3.8Å; T197-M201 WeakPolarHBondContact OG1-CE 3.25Å; G198-M201 WeakPolarHBondContact O-CE 3.41Å; G198-M201 WeakPolarHBondContact O-CG 3.32Å; M201-E205 HydrophobicContact CB-CB 3.75Å; M201-E205 HydrophobicContact CG-CB 4.16Å; M201-R206 HydrophobicContact CB-CG 3.52Å; M201-R206 HydrophobicContact CG-CG 4.44Å; M201-R206 HydrophobicContact SD-CG 4.14Å; M201-N209 HydrophobicContact CE-CB 4.1Å; M201-N209 HydrophobicContact SD-CB 3.7Å | ||
| 202 | T | 97.2 | Very high | 93.9 | Very high | 87 Ų | 87 | 63.7 Ų | 63.7 | 53% | 0.534 | 32% | 0.321 | S | S | . | . | trans | -65.3 | 171 | 160.9 | 62.8 | 0 | 0 | 0 | 0 | 111 | G204 E205 R206 | T202-G204 VanDerWaalsContact C-N 3.32Å; T202-G204 PolarHBondContact O-N 3.46Å; T202-E205 WeakPolarHBondContact CB-OE2 3.48Å; T202-E205 VanDerWaalsContact CG2-OE2 3.3Å; T202-E205 WeakPolarHBondContact CG2-OE2 3.24Å; T202-E205 PolarHBondContact N-OE2 3.23Å; T202-E205 PolarHBondContact O-N 3.13Å; T202-E205 WeakPolarHBondContact OG1-CG 3.36Å; T202-E205 PolarHBondContact OG1-N 3.02Å; T202-E205 PolarHBondContact OG1-OE2 2.94Å; T202-R206 WeakPolarHBondContact O-CG 3.42Å; T202-R206 PolarHBondContact O-N 3.42Å | ||
| 203 | M | 97.2 | Very high | 93.8 | Very high | 150 Ų | 150 | 64.5 Ų | 64.5 | 74% | 0.739 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -58.6 | -42.3 | 177.5 | -173.4 | 174.5 | 76.6 | 0 | 0 | 112.9 | R206 L207 | M203-R206 PolarHBondContact O-N 2.92Å; M203-L207 PolarHBondContact O-N 3.01Å; M203-L207 VanDerWaalsContact O-N 3.1Å |
| 204 | G | 96.4 | Very high | 93.7 | Very high | 51 Ų | 51 | 68 Ų | 68 | 53% | 0.526 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.4 | -43.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | T202 R206 L207 G208 | T202-G204 VanDerWaalsContact C-N 3.32Å; T202-G204 PolarHBondContact O-N 3.46Å; G204-R206 VanDerWaalsContact C-N 3.35Å; G204-R206 PolarHBondContact O-N 3.09Å; G204-L207 PolarHBondContact O-N 2.9Å; G204-G208 PolarHBondContact O-N 3.36Å |
| 205 | E | 95.7 | Very high | 93.7 | Very high | 74 Ų | 74 | 68.5 Ų | 68.5 | 35% | 0.346 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.2 | -37.4 | 176 | -72.6 | 167.4 | 132.2 | 0 | 0 | 112.3 | T197 M201 T202 G208 N209 | T197-E205 HydrophobicContact CG2-CB 3.97Å; T197-E205 HydrophobicContact CG2-CG 3.87Å; M201-E205 HydrophobicContact CB-CB 3.75Å; M201-E205 HydrophobicContact CG-CB 4.16Å; T202-E205 WeakPolarHBondContact CB-OE2 3.48Å; T202-E205 VanDerWaalsContact CG2-OE2 3.3Å; T202-E205 WeakPolarHBondContact CG2-OE2 3.24Å; T202-E205 PolarHBondContact N-OE2 3.23Å; T202-E205 PolarHBondContact O-N 3.13Å; T202-E205 WeakPolarHBondContact OG1-CG 3.36Å; T202-E205 PolarHBondContact OG1-N 3.02Å; T202-E205 PolarHBondContact OG1-OE2 2.94Å; E205-G208 PolarHBondContact O-N 3.22Å; E205-N209 WeakPolarHBondContact O-CB 3.4Å; E205-N209 PolarHBondContact O-N 3.13Å |
| 206 | R | 96.9 | Very high | 93.5 | Very high | 115 Ų | 115 | 68.2 Ų | 68.2 | 43% | 0.434 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 173.6 | -71.4 | -170.6 | -56.6 | -177.4 | 3.4 | 112 | S188 M201 T202 M203 G204 N209 Y210 | S188-R206 VanDerWaalsContact O-CD 3.3Å; S188-R206 WeakPolarHBondContact O-CD 3.41Å; S188-R206 WeakPolarHBondContact O-CG 3.38Å; M201-R206 HydrophobicContact CB-CG 3.52Å; M201-R206 HydrophobicContact CG-CG 4.44Å; M201-R206 HydrophobicContact SD-CG 4.14Å; T202-R206 WeakPolarHBondContact O-CG 3.42Å; T202-R206 PolarHBondContact O-N 3.42Å; M203-R206 PolarHBondContact O-N 2.92Å; G204-R206 VanDerWaalsContact C-N 3.35Å; G204-R206 PolarHBondContact O-N 3.09Å; R206-N209 PolarHBondContact O-N 3.2Å; R206-Y210 WeakPolarHBondContact O-CB 3.28Å; R206-Y210 PolarHBondContact O-N 3.05Å |
| 207 | L | 95.2 | Very high | 93.5 | Very high | 102 Ų | 102 | 63.1 Ų | 63.1 | 53% | 0.534 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.1 | -46.3 | 176.8 | -176.8 | 63.1 | 0 | 0 | 0 | 110.9 | M203 G204 N209 Y210 F211 | M203-L207 PolarHBondContact O-N 3.01Å; M203-L207 VanDerWaalsContact O-N 3.1Å; G204-L207 PolarHBondContact O-N 2.9Å; L207-N209 PolarHBondContact O-N 2.99Å; L207-Y210 WeakPolarHBondContact O-CB 3.13Å; L207-Y210 PolarHBondContact O-N 3.3Å; L207-F211 HydrophobicContact CD1-CD2 4.09Å; L207-F211 HydrophobicContact CD1-CE2 3.58Å; L207-F211 HydrophobicContact CD1-CZ 4.49Å; L207-F211 HydrophobicContact CD2-CE2 4.48Å; L207-F211 HydrophobicContact CG-CD2 4.08Å; L207-F211 HydrophobicContact CG-CE2 3.84Å; L207-F211 VanDerWaalsContact O-CD2 3.25Å; L207-F211 WeakPolarHBondContact O-CD2 3.41Å; L207-F211 PolarHBondContact O-N 3.03Å; L207-F211 VanDerWaalsContact O-N 3.12Å |
| 208 | G | 92.7 | Very high | 93.5 | Very high | 41 Ų | 41 | 68.2 Ų | 68.2 | 42% | 0.423 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.1 | -44 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | G204 E205 Y210 F211 Q212 | G204-G208 PolarHBondContact O-N 3.36Å; E205-G208 PolarHBondContact O-N 3.22Å; G208-Y210 PolarHBondContact O-N 3.17Å; G208-F211 PolarHBondContact O-N 2.94Å; G208-Q212 WeakPolarHBondContact O-CB 3.29Å; G208-Q212 PolarHBondContact O-N 3.12Å |
| 209 | N | 94.7 | Very high | 93.2 | Very high | 2 Ų | 2 | 68.2 Ų | 68.2 | 1% | 0.011 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 177.4 | -171.8 | 63.6 | 0 | 0 | 0 | 112.6 | S187 V190 P191 G192 S195 M201 E205 R206 L207 Q212 F213 | S187-N209 PolarHBondContact O-ND2 2.9Å; V190-N209 PolarHBondContact O-ND2 2.76Å; P191-N209 VanDerWaalsContact CA-OD1 3.26Å; P191-N209 WeakPolarHBondContact CA-OD1 3.38Å; G192-N209 PolarHBondContact N-OD1 3.15Å; S195-N209 VanDerWaalsContact CB-OD1 3.29Å; S195-N209 WeakPolarHBondContact CB-OD1 3.41Å; S195-N209 PolarHBondContact OG-OD1 3.21Å; M201-N209 HydrophobicContact CE-CB 4.1Å; M201-N209 HydrophobicContact SD-CB 3.7Å; E205-N209 WeakPolarHBondContact O-CB 3.4Å; E205-N209 PolarHBondContact O-N 3.13Å; R206-N209 PolarHBondContact O-N 3.2Å; L207-N209 PolarHBondContact O-N 2.99Å; N209-Q212 PolarHBondContact O-N 3.27Å; N209-F213 PolarHBondContact O-N 3.47Å |
| 210 | Y | 93.5 | Very high | 92.9 | Very high | 100 Ų | 100 | 67.4 Ų | 67.4 | 39% | 0.392 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 174.2 | 176.6 | -104.1 | 0 | 0 | 0 | 111.7 | R206 L207 G208 Q212 F213 L214 | R206-Y210 WeakPolarHBondContact O-CB 3.28Å; R206-Y210 PolarHBondContact O-N 3.05Å; L207-Y210 WeakPolarHBondContact O-CB 3.13Å; L207-Y210 PolarHBondContact O-N 3.3Å; G208-Y210 PolarHBondContact O-N 3.17Å; Y210-Q212 VanDerWaalsContact C-N 3.35Å; Y210-Q212 PolarHBondContact O-N 2.92Å; Y210-F213 PolarHBondContact O-N 3.03Å; Y210-L214 HydrophobicContact CD1-CD1 4.16Å; Y210-L214 HydrophobicContact CE1-CD1 3.56Å; Y210-L214 HydrophobicContact CE1-CG 4.38Å; Y210-L214 PolarHBondContact O-N 3.36Å |
| 211 | F | 91.3 | Very high | 92.9 | Very high | 112 Ų | 112 | 57.4 Ų | 57.4 | 49% | 0.491 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.8 | -38.4 | 175.8 | -78.1 | -65 | 0 | 0 | 0 | 112.6 | L207 G208 F213 L214 V215 | L207-F211 HydrophobicContact CD1-CD2 4.09Å; L207-F211 HydrophobicContact CD1-CE2 3.58Å; L207-F211 HydrophobicContact CD1-CZ 4.49Å; L207-F211 HydrophobicContact CD2-CE2 4.48Å; L207-F211 HydrophobicContact CG-CD2 4.08Å; L207-F211 HydrophobicContact CG-CE2 3.84Å; L207-F211 VanDerWaalsContact O-CD2 3.25Å; L207-F211 WeakPolarHBondContact O-CD2 3.41Å; L207-F211 PolarHBondContact O-N 3.03Å; L207-F211 VanDerWaalsContact O-N 3.12Å; G208-F211 PolarHBondContact O-N 2.94Å; F211-F213 VanDerWaalsContact C-N 3.3Å; F211-F213 PolarHBondContact O-N 2.83Å; F211-L214 HydrophobicContact CD1-CD1 4.45Å; F211-L214 PolarHBondContact O-N 2.75Å; F211-V215 WeakPolarHBondContact O-CB 3.46Å; F211-V215 WeakPolarHBondContact O-CG2 3.44Å; F211-V215 PolarHBondContact O-N 3.15Å |
| 212 | Q | 89 | Confident | 92.7 | Very high | 25 Ų | 25 | 57.5 Ų | 57.5 | 12% | 0.117 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.5 | -41.5 | 175.6 | -170.8 | -75.4 | -50.4 | 0 | 0 | 110.8 | Q194 G208 N209 Y210 L214 V215 G216 | Q194-Q212 HydrophobicContact CB-CG 4.35Å; Q194-Q212 VanDerWaalsContact N-NE2 3.14Å; G208-Q212 WeakPolarHBondContact O-CB 3.29Å; G208-Q212 PolarHBondContact O-N 3.12Å; N209-Q212 PolarHBondContact O-N 3.27Å; Y210-Q212 VanDerWaalsContact C-N 3.35Å; Y210-Q212 PolarHBondContact O-N 2.92Å; Q212-L214 PolarHBondContact O-N 2.9Å; Q212-V215 PolarHBondContact O-N 3.08Å; Q212-G216 WeakPolarHBondContact O-CA 3.38Å; Q212-G216 PolarHBondContact O-N 3.38Å |
| 213 | F | 90.7 | Very high | 92.5 | Very high | 17 Ų | 17 | 53.4 Ų | 53.4 | 8% | 0.075 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.2 | -45 | 175.9 | -169.6 | -88.9 | 0 | 0 | 0 | 112.1 | D175 T178 I185 N209 Y210 F211 S217 | D175-F213 HydrophobicContact CB-CD2 3.91Å; D175-F213 HydrophobicContact CB-CE2 3.62Å; D175-F213 HydrophobicContact CB-CZ 3.99Å; D175-F213 WeakPolarHBondContact OD1-CD2 3.35Å; D175-F213 WeakPolarHBondContact OD1-CE2 3.37Å; T178-F213 HydrophobicContact CG2-CE2 4.33Å; T178-F213 HydrophobicContact CG2-CZ 4.07Å; I185-F213 HydrophobicContact CB-CZ 4.37Å; I185-F213 HydrophobicContact CD1-CD1 4.48Å; I185-F213 HydrophobicContact CD1-CE1 3.41Å; I185-F213 VanDerWaalsContact CD1-CE1 3.41Å; I185-F213 HydrophobicContact CD1-CE2 4.09Å; I185-F213 HydrophobicContact CD1-CZ 3.18Å; I185-F213 HydrophobicContact CG1-CE1 4.02Å; I185-F213 HydrophobicContact CG1-CE2 3.81Å; I185-F213 HydrophobicContact CG1-CZ 3.42Å; I185-F213 VanDerWaalsContact CG1-CZ 3.42Å; I185-F213 HydrophobicContact CG2-CD1 4.43Å; I185-F213 HydrophobicContact CG2-CD2 4.07Å; I185-F213 HydrophobicContact CG2-CE1 4.32Å; I185-F213 HydrophobicContact CG2-CE2 3.93Å; I185-F213 HydrophobicContact CG2-CG 4.34Å; I185-F213 HydrophobicContact CG2-CZ 4.1Å; N209-F213 PolarHBondContact O-N 3.47Å; Y210-F213 PolarHBondContact O-N 3.03Å; F211-F213 VanDerWaalsContact C-N 3.3Å; F211-F213 PolarHBondContact O-N 2.83Å; F213-S217 VanDerWaalsContact O-CB 3.26Å; F213-S217 WeakPolarHBondContact O-CB 3.49Å; F213-S217 PolarHBondContact O-N 3.39Å |
| 214 | L | 90.1 | Very high | 92.4 | Very high | 79 Ų | 79 | 46.3 Ų | 46.3 | 41% | 0.414 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.3 | -50.2 | 177.9 | -65.9 | 177.9 | 0 | 0 | 0 | 112 | Y210 F211 Q212 Y218 | Y210-L214 HydrophobicContact CD1-CD1 4.16Å; Y210-L214 HydrophobicContact CE1-CD1 3.56Å; Y210-L214 HydrophobicContact CE1-CG 4.38Å; Y210-L214 PolarHBondContact O-N 3.36Å; F211-L214 HydrophobicContact CD1-CD1 4.45Å; F211-L214 PolarHBondContact O-N 2.75Å; Q212-L214 PolarHBondContact O-N 2.9Å; L214-Y218 WeakPolarHBondContact O-CB 3.25Å; L214-Y218 PolarHBondContact O-N 3.41Å |
| 215 | V | 89.2 | Confident | 92.5 | Very high | 45 Ų | 45 | 46.6 Ų | 46.6 | 27% | 0.273 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.6 | -41.5 | -179.2 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | M108 F211 Q212 Y218 F219 | M108-V215 HydrophobicContact CE-CG1 4.26Å; F211-V215 WeakPolarHBondContact O-CB 3.46Å; F211-V215 WeakPolarHBondContact O-CG2 3.44Å; F211-V215 PolarHBondContact O-N 3.15Å; Q212-V215 PolarHBondContact O-N 3.08Å; V215-Y218 PolarHBondContact O-N 3.01Å; V215-F219 WeakPolarHBondContact O-CB 3.19Å; V215-F219 PolarHBondContact O-N 3.41Å |
| 216 | G | 88.3 | Confident | 92.5 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.2 | -43.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q212 F219 F220 | Q212-G216 WeakPolarHBondContact O-CA 3.38Å; Q212-G216 PolarHBondContact O-N 3.38Å; G216-F219 PolarHBondContact O-N 3Å; G216-F220 WeakPolarHBondContact O-CD2 3.48Å; G216-F220 PolarHBondContact O-N 3.05Å |
| 217 | S | 92.2 | Very high | 92.5 | Very high | 10 Ų | 10 | 41.2 Ų | 41.2 | 7% | 0.07 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.6 | -44.3 | 173.7 | -177.7 | 0 | 0 | 0 | 0 | 111.3 | H176 F213 S221 | H176-S217 WeakPolarHBondContact CA-OG 3.26Å; H176-S217 WeakPolarHBondContact CB-O 3.37Å; F213-S217 VanDerWaalsContact O-CB 3.26Å; F213-S217 WeakPolarHBondContact O-CB 3.49Å; F213-S217 PolarHBondContact O-N 3.39Å; S217-S221 WeakPolarHBondContact O-CB 3.3Å; S217-S221 PolarHBondContact O-N 3.3Å; S217-S221 PolarHBondContact O-OG 2.99Å |
| 218 | Y | 91.6 | Very high | 92.7 | Very high | 130 Ų | 130 | 37.7 Ų | 37.7 | 51% | 0.51 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.4 | -43.7 | 177.3 | -178.2 | -97.3 | 0 | 0 | 0 | 112.7 | M109 L214 V215 F220 S221 L222 | M109-Y218 HydrophobicContact CE-CD1 3.8Å; M109-Y218 HydrophobicContact CE-CE1 3.64Å; M109-Y218 HydrophobicContact SD-CD1 4.38Å; M109-Y218 HydrophobicContact SD-CE1 3.83Å; L214-Y218 WeakPolarHBondContact O-CB 3.25Å; L214-Y218 PolarHBondContact O-N 3.41Å; V215-Y218 PolarHBondContact O-N 3.01Å; Y218-F220 PolarHBondContact O-N 2.78Å; Y218-S221 WeakPolarHBondContact O-CB 3.45Å; Y218-S221 PolarHBondContact O-N 3.46Å; Y218-L222 PolarHBondContact O-N 2.96Å |
| 219 | F | 88.3 | Confident | 92.9 | Very high | 13 Ų | 13 | 41.1 Ų | 41.1 | 6% | 0.057 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -53.1 | -55.3 | 178.7 | 174.5 | -78.1 | 0 | 0 | 0 | 111.7 | M108 A111 A112 M115 V215 G216 L222 I223 | M108-F219 WeakPolarHBondContact O-CD2 3.33Å; M108-F219 WeakPolarHBondContact O-CE2 3.48Å; A111-F219 HydrophobicContact CB-CE2 4.23Å; A112-F219 HydrophobicContact CB-CD2 3.24Å; A112-F219 HydrophobicContact CB-CE2 3.39Å; A112-F219 HydrophobicContact CB-CG 3.9Å; A112-F219 HydrophobicContact CB-CZ 4.12Å; A112-F219 VanDerWaalsContact N-CE2 3.26Å; M115-F219 HydrophobicContact SD-CE1 4.14Å; M115-F219 HydrophobicContact SD-CZ 3.76Å; V215-F219 WeakPolarHBondContact O-CB 3.19Å; V215-F219 PolarHBondContact O-N 3.41Å; G216-F219 PolarHBondContact O-N 3Å; F219-L222 WeakPolarHBondContact O-CB 3.46Å; F219-L222 PolarHBondContact O-N 3.08Å; F219-I223 HydrophobicContact CD1-CD1 4.34Å; F219-I223 HydrophobicContact CE1-CD1 3.79Å; F219-I223 HydrophobicContact CZ-CD1 4.45Å |
| 220 | F | 88.9 | Confident | 93.1 | Very high | 19 Ų | 19 | 41.7 Ų | 41.7 | 8% | 0.083 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -76.5 | -28.6 | -176.9 | -70.6 | -67 | 0 | 0 | 0 | 112.3 | F149 H176 G216 Y218 L222 I223 G224 | F149-F220 HydrophobicContact CD2-CD1 4.32Å; F149-F220 AromaticContact CD2-CE1 3.94Å; F149-F220 HydrophobicContact CD2-CE1 3.94Å; F149-F220 HydrophobicContact CE2-CD1 4.22Å; F149-F220 AromaticContact CE2-CE1 3.49Å; F149-F220 HydrophobicContact CE2-CE1 3.49Å; F149-F220 VanDerWaalsContact CE2-CE1 3.49Å; F149-F220 HydrophobicContact CE2-CZ 4.3Å; F149-F220 HydrophobicContact CZ-CE1 4.41Å; H176-F220 HydrophobicContact CB-CB 3.99Å; H176-F220 AromaticContact CE1-CG 3.97Å; H176-F220 VanDerWaalsContact CG-CB 3.46Å; H176-F220 VanDerWaalsContact ND1-CB 3.26Å; H176-F220 WeakPolarHBondContact ND1-CB 3.37Å; H176-F220 AromaticContact ND1-CG 3.86Å; G216-F220 WeakPolarHBondContact O-CD2 3.48Å; G216-F220 PolarHBondContact O-N 3.05Å; Y218-F220 PolarHBondContact O-N 2.78Å; F220-L222 VanDerWaalsContact C-N 3.3Å; F220-L222 PolarHBondContact O-N 3.4Å; F220-I223 HydrophobicContact CD1-CD1 4.1Å; F220-I223 PolarHBondContact O-N 2.84Å; F220-G224 PolarHBondContact O-N 3.15Å |
| 221 | S | 95 | Very high | 93.3 | Very high | 7 Ų | 7 | 36.9 Ų | 36.9 | 5% | 0.049 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.9 | -40.1 | 171.2 | -77.5 | 0 | 0 | 0 | 0 | 112.7 | S217 Y218 G224 D225 | S217-S221 WeakPolarHBondContact O-CB 3.3Å; S217-S221 PolarHBondContact O-N 3.3Å; S217-S221 PolarHBondContact O-OG 2.99Å; Y218-S221 WeakPolarHBondContact O-CB 3.45Å; Y218-S221 PolarHBondContact O-N 3.46Å; S221-G224 PolarHBondContact O-N 3.16Å; S221-D225 PolarHBondContact O-N 2.82Å |
| 222 | L | 93.5 | Very high | 93.6 | Very high | 29 Ų | 29 | 36.5 Ų | 36.5 | 15% | 0.152 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63 | -41.3 | 178.8 | -178.3 | 69.1 | 0 | 0 | 0 | 111.9 | A112 Q113 Y218 F219 F220 G224 D225 R226 | A112-L222 HydrophobicContact CB-CD2 4.06Å; Q113-L222 HydrophobicContact CG-CD2 4.34Å; Y218-L222 PolarHBondContact O-N 2.96Å; F219-L222 WeakPolarHBondContact O-CB 3.46Å; F219-L222 PolarHBondContact O-N 3.08Å; F220-L222 VanDerWaalsContact C-N 3.3Å; F220-L222 PolarHBondContact O-N 3.4Å; L222-G224 VanDerWaalsContact C-N 3.31Å; L222-G224 PolarHBondContact O-N 3.37Å; L222-D225 PolarHBondContact O-N 3.22Å; L222-R226 WeakPolarHBondContact O-CG 3.3Å; L222-R226 PolarHBondContact O-N 2.8Å |
| 223 | I | 92 | Very high | 94 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.7 | -50.5 | 175.2 | -63.1 | 172.6 | 0 | 0 | 0 | 108.9 | M115 F119 F219 F220 D225 R226 D227 | M115-I223 HydrophobicContact CB-CD1 3.83Å; M115-I223 HydrophobicContact CB-CG1 4.2Å; M115-I223 HydrophobicContact SD-CD1 4.2Å; F119-I223 HydrophobicContact CB-CG2 3.88Å; F119-I223 HydrophobicContact CD1-CG2 4.06Å; F119-I223 HydrophobicContact CD2-CG2 4.4Å; F119-I223 HydrophobicContact CG-CG2 3.84Å; F219-I223 HydrophobicContact CD1-CD1 4.34Å; F219-I223 HydrophobicContact CE1-CD1 3.79Å; F219-I223 HydrophobicContact CZ-CD1 4.45Å; F220-I223 HydrophobicContact CD1-CD1 4.1Å; F220-I223 PolarHBondContact O-N 2.84Å; I223-D225 VanDerWaalsContact C-N 3.33Å; I223-D225 PolarHBondContact O-N 2.99Å; I223-R226 PolarHBondContact O-N 2.98Å; I223-D227 PolarHBondContact O-N 3Å; I223-D227 VanDerWaalsContact O-N 3.1Å |
| 224 | G | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.4 | -28.6 | -177 | 0 | 0 | 0 | 0 | 0 | 115.2 | T151 F220 S221 L222 R226 F228 W241 | T151-G224 WeakPolarHBondContact OG1-CA 3.49Å; T151-G224 PolarHBondContact OG1-O 3.43Å; F220-G224 PolarHBondContact O-N 3.15Å; S221-G224 PolarHBondContact O-N 3.16Å; L222-G224 VanDerWaalsContact C-N 3.31Å; L222-G224 PolarHBondContact O-N 3.37Å; G224-R226 VanDerWaalsContact C-N 3.35Å; G224-F228 PolarHBondContact O-N 3.18Å; G224-F228 VanDerWaalsContact O-N 3.15Å; G224-W241 VanDerWaalsContact C-CD1 3.4Å; G224-W241 VanDerWaalsContact C-NE1 3.26Å; G224-W241 PolarHBondContact O-NE1 3.29Å |
| 225 | D | 97 | Very high | 94.6 | Very high | 58 Ų | 58 | 39 Ų | 39 | 31% | 0.31 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.3 | -39 | 172.2 | -79.8 | -31.4 | 0 | 0 | 0 | 113 | S221 L222 I223 F228 E229 R242 | S221-D225 PolarHBondContact O-N 2.82Å; L222-D225 PolarHBondContact O-N 3.22Å; I223-D225 VanDerWaalsContact C-N 3.33Å; I223-D225 PolarHBondContact O-N 2.99Å; D225-F228 PolarHBondContact O-N 3.33Å; D225-E229 PolarHBondContact O-N 3.26Å; D225-R242 IonicContact OD1-CZ 3.93Å; D225-R242 IonicContact OD1-NH1 2.62Å; D225-R242 PolarHBondContact OD1-NH1 3.16Å; D225-R242 IonicContact OD1-NH2 3.65Å; D225-R242 IonicContact OD2-CZ 3.93Å; D225-R242 IonicContact OD2-NH1 3.55Å; D225-R242 PolarHBondContact OD2-NH1 2.85Å; D225-R242 IonicContact OD2-NH2 3.33Å; D225-R242 PolarHBondContact OD2-NH2 3.39Å |
| 226 | R | 96.7 | Very high | 94.9 | Very high | 75 Ų | 75 | 42.9 Ų | 42.9 | 28% | 0.283 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -72.1 | -38.2 | 178.4 | -68.2 | -177.1 | 171.4 | -166.7 | 3.3 | 112.2 | Q113 G116 T117 A120 L222 I223 G224 F228 E229 A230 | Q113-R226 PolarHBondContact O-NH1 2.92Å; G116-R226 WeakPolarHBondContact O-CD 3.42Å; T117-R226 VanDerWaalsContact N-NH1 3.19Å; T117-R226 PolarHBondContact OG1-NH1 2.93Å; A120-R226 HydrophobicContact CB-CB 3.89Å; L222-R226 WeakPolarHBondContact O-CG 3.3Å; L222-R226 PolarHBondContact O-N 2.8Å; I223-R226 PolarHBondContact O-N 2.98Å; G224-R226 VanDerWaalsContact C-N 3.35Å; R226-F228 VanDerWaalsContact C-N 3.29Å; R226-F228 PolarHBondContact O-N 2.72Å; R226-E229 PolarHBondContact O-N 3.14Å; R226-A230 VanDerWaalsContact O-CB 3.24Å; R226-A230 WeakPolarHBondContact O-CB 3.49Å; R226-A230 PolarHBondContact O-N 2.88Å |
| 227 | D | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -55.3 | -47 | 170.5 | -75.4 | -24.6 | 0 | 0 | 0 | 111.4 | F119 A120 T151 C152 I223 A230 A231 | F119-D227 WeakPolarHBondContact CB-OD1 3.32Å; A120-D227 PolarHBondContact N-OD1 2.94Å; T151-D227 PolarHBondContact N-OD2 3.26Å; T151-D227 VanDerWaalsContact OG1-CB 3.27Å; T151-D227 WeakPolarHBondContact OG1-CB 3.22Å; T151-D227 PolarHBondContact OG1-OD2 2.85Å; C152-D227 HydrophobicContact CB-CB 4.43Å; C152-D227 PolarHBondContact N-OD2 3.39Å; I223-D227 PolarHBondContact O-N 3Å; I223-D227 VanDerWaalsContact O-N 3.1Å; D227-A230 PolarHBondContact O-N 3.44Å; D227-A231 WeakPolarHBondContact O-CB 3.31Å; D227-A231 PolarHBondContact O-N 3.4Å |
| 228 | F | 98.1 | Very high | 95.6 | Very high | 28 Ų | 28 | 48.3 Ų | 48.3 | 12% | 0.123 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65 | -45.3 | -179.2 | 174.6 | -114.3 | 0 | 0 | 0 | 112 | G224 D225 R226 A230 A231 K232 I237 R239 | G224-F228 PolarHBondContact O-N 3.18Å; G224-F228 VanDerWaalsContact O-N 3.15Å; D225-F228 PolarHBondContact O-N 3.33Å; R226-F228 VanDerWaalsContact C-N 3.29Å; R226-F228 PolarHBondContact O-N 2.72Å; F228-A230 VanDerWaalsContact C-N 3.35Å; F228-A231 PolarHBondContact O-N 3.24Å; F228-K232 HydrophobicContact CE1-CD 4.15Å; F228-K232 HydrophobicContact CZ-CD 4.03Å; F228-K232 WeakPolarHBondContact O-CB 3.49Å; F228-K232 PolarHBondContact O-N 3.49Å; F228-I237 HydrophobicContact CD2-CD1 4.02Å; F228-I237 HydrophobicContact CE2-CD1 4Å; F228-I237 HydrophobicContact CE2-CG1 4.16Å; F228-R239 VanDerWaalsContact CE2-O 3.31Å; F228-R239 WeakPolarHBondContact CE2-O 3.46Å |
| 229 | E | 98.2 | Very high | 95.9 | Very high | 114 Ų | 114 | 45.7 Ų | 45.7 | 53% | 0.533 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.3 | -41.3 | 178.6 | -168.8 | 59.6 | -153.8 | 0 | 0 | 111.5 | D225 R226 K232 S233 | D225-E229 PolarHBondContact O-N 3.26Å; R226-E229 PolarHBondContact O-N 3.14Å; E229-K232 PolarHBondContact O-N 3.46Å; E229-S233 PolarHBondContact O-N 2.89Å; E229-S233 VanDerWaalsContact O-N 3.17Å |
| 230 | A | 97.7 | Very high | 96.3 | Very high | 13 Ų | 13 | 46.2 Ų | 46.2 | 11% | 0.107 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.7 | -53.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A120 T124 R226 D227 F228 K232 S233 | A120-A230 HydrophobicContact CB-CB 3.94Å; A120-A230 VanDerWaalsContact O-CB 3.31Å; A120-A230 WeakPolarHBondContact O-CB 3.26Å; T124-A230 WeakPolarHBondContact OG1-CB 3.29Å; R226-A230 VanDerWaalsContact O-CB 3.24Å; R226-A230 WeakPolarHBondContact O-CB 3.49Å; R226-A230 PolarHBondContact O-N 2.88Å; D227-A230 PolarHBondContact O-N 3.44Å; F228-A230 VanDerWaalsContact C-N 3.35Å; A230-K232 PolarHBondContact O-N 3.46Å; A230-S233 WeakPolarHBondContact O-CB 3.22Å; A230-S233 PolarHBondContact O-N 2.96Å; A230-S233 PolarHBondContact O-OG 2.99Å |
| 231 | A | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.1 | -43.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I127 A155 D227 F228 S233 V234 V235 I237 | I127-A231 HydrophobicContact CG1-CB 3.92Å; A155-A231 HydrophobicContact CB-CB 3.47Å; A155-A231 VanDerWaalsContact CB-CB 3.47Å; D227-A231 WeakPolarHBondContact O-CB 3.31Å; D227-A231 PolarHBondContact O-N 3.4Å; F228-A231 PolarHBondContact O-N 3.24Å; A231-S233 PolarHBondContact O-N 2.92Å; A231-V234 PolarHBondContact O-N 2.98Å; A231-V235 WeakPolarHBondContact O-CG1 3.5Å; A231-V235 PolarHBondContact O-N 3.33Å; A231-I237 HydrophobicContact CB-CD1 3.75Å |
| 232 | K | 97.8 | Very high | 96.8 | Very high | 103 Ų | 103 | 49 Ų | 49 | 45% | 0.448 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.4 | -27.3 | 179 | -177.1 | -177.6 | 173.7 | -165.3 | 0 | 112.9 | F228 E229 A230 V234 I237 | F228-K232 HydrophobicContact CE1-CD 4.15Å; F228-K232 HydrophobicContact CZ-CD 4.03Å; F228-K232 WeakPolarHBondContact O-CB 3.49Å; F228-K232 PolarHBondContact O-N 3.49Å; E229-K232 PolarHBondContact O-N 3.46Å; A230-K232 PolarHBondContact O-N 3.46Å; K232-V234 PolarHBondContact O-N 2.81Å; K232-I237 HydrophobicContact CB-CG1 4.26Å |
| 233 | S | 97.4 | Very high | 97 | Very high | 89 Ų | 89 | 49.6 Ų | 49.6 | 62% | 0.622 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -69.9 | -18.4 | 174.6 | 80.5 | 0 | 0 | 0 | 0 | 113.7 | E229 A230 A231 | E229-S233 PolarHBondContact O-N 2.89Å; E229-S233 VanDerWaalsContact O-N 3.17Å; A230-S233 WeakPolarHBondContact O-CB 3.22Å; A230-S233 PolarHBondContact O-N 2.96Å; A230-S233 PolarHBondContact O-OG 2.99Å; A231-S233 PolarHBondContact O-N 2.92Å |
| 234 | V | 97.2 | Very high | 97.3 | Very high | 62 Ų | 62 | 49.8 Ų | 49.8 | 38% | 0.376 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -107.7 | -40 | -176.1 | -176.6 | 0 | 0 | 0 | 0 | 112.2 | T124 I127 A231 K232 | T124-V234 HydrophobicContact CG2-CG2 3.96Å; I127-V234 HydrophobicContact CB-CB 4.49Å; I127-V234 HydrophobicContact CB-CG1 4.46Å; I127-V234 HydrophobicContact CG2-CB 3.79Å; I127-V234 HydrophobicContact CG2-CG1 3.77Å; A231-V234 PolarHBondContact O-N 2.98Å; K232-V234 PolarHBondContact O-N 2.81Å |
| 235 | V | 97 | Very high | 97.4 | Very high | 24 Ų | 24 | 49.8 Ų | 49.8 | 15% | 0.145 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -129.6 | 143.4 | -175.1 | 67.7 | 0 | 0 | 0 | 0 | 110.4 | I127 L133 A159 A231 I237 | I127-V235 HydrophobicContact CG2-CB 3.9Å; I127-V235 HydrophobicContact CG2-CG1 3.5Å; I127-V235 VanDerWaalsContact CG2-CG1 3.5Å; L133-V235 HydrophobicContact CD1-CB 4.49Å; L133-V235 HydrophobicContact CD1-CG2 4.13Å; A159-V235 HydrophobicContact CB-CG1 4.17Å; A159-V235 HydrophobicContact CB-CG2 4.02Å; A231-V235 WeakPolarHBondContact O-CG1 3.5Å; A231-V235 PolarHBondContact O-N 3.33Å; V235-I237 HydrophobicContact CG1-CD1 4.36Å; V235-I237 HydrophobicContact CG1-CG1 4.12Å; V235-I237 HydrophobicContact CG1-CG2 3.84Å; V235-I237 PolarHBondContact O-N 2.85Å |
| 236 | P | 95.4 | Very high | 97.4 | Very high | 126 Ų | 126 | 47.6 Ų | 47.6 | 82% | 0.818 | 26% | 0.258 | S | S | * | . | trans | -77.7 | 58.2 | -173.6 | 33.3 | -39 | 0 | 0 | 0 | 113.3 | ||||
| 237 | I | 97.5 | Very high | 97.4 | Very high | 8 Ų | 8 | 46.9 Ų | 46.9 | 4% | 0.041 | 26% | 0.258 | C | S | . | . | trans | -85 | 149.9 | 171.9 | 58.9 | 170.6 | 0 | 0 | 0 | 110.8 | A155 E158 A159 F228 A231 K232 V235 | A155-I237 HydrophobicContact CB-CD1 3.65Å; E158-I237 HydrophobicContact CB-CB 4.37Å; E158-I237 HydrophobicContact CB-CG2 3.87Å; E158-I237 HydrophobicContact CG-CB 3.79Å; E158-I237 HydrophobicContact CG-CG2 3.55Å; A159-I237 HydrophobicContact CB-CG2 4.08Å; F228-I237 HydrophobicContact CD2-CD1 4.02Å; F228-I237 HydrophobicContact CE2-CD1 4Å; F228-I237 HydrophobicContact CE2-CG1 4.16Å; A231-I237 HydrophobicContact CB-CD1 3.75Å; K232-I237 HydrophobicContact CB-CG1 4.26Å; V235-I237 HydrophobicContact CG1-CD1 4.36Å; V235-I237 HydrophobicContact CG1-CG1 4.12Å; V235-I237 HydrophobicContact CG1-CG2 3.84Å; V235-I237 PolarHBondContact O-N 2.85Å | ||
| 238 | T | 96.6 | Very high | 97.5 | Very high | 115 Ų | 115 | 46.9 Ų | 46.9 | 71% | 0.706 | 26% | 0.258 | S | S | * | . | trans | -123.2 | -27 | -176.7 | 57.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 239 | R | 97.7 | Very high | 97.5 | Very high | 75 Ų | 75 | 45.5 Ų | 45.5 | 28% | 0.283 | 25% | 0.252 | S | S | . | . | trans | -91.9 | 125.5 | -180 | -60.5 | -171 | -68.6 | 162.1 | 3.1 | 110.2 | E158 F228 A243 I244 E247 | E158-R239 VanDerWaalsContact CD-NE 3.33Å; E158-R239 IonicContact OE1-CZ 3.69Å; E158-R239 IonicContact OE1-NE 3.94Å; E158-R239 PolarHBondContact OE1-NE 3.28Å; E158-R239 IonicContact OE1-NH2 2.87Å; E158-R239 IonicContact OE2-CZ 3.65Å; E158-R239 IonicContact OE2-NE 2.85Å; E158-R239 PolarHBondContact OE2-NE 3.42Å; E158-R239 VanDerWaalsContact OE2-NE 3.09Å; E158-R239 IonicContact OE2-NH2 2.8Å; E158-R239 PolarHBondContact OE2-NH2 3.45Å; F228-R239 VanDerWaalsContact CE2-O 3.31Å; F228-R239 WeakPolarHBondContact CE2-O 3.46Å; R239-A243 HydrophobicContact CB-CB 4.19Å; R239-I244 HydrophobicContact CB-CD1 4.14Å; R239-I244 HydrophobicContact CB-CG1 3.96Å; R239-I244 WeakPolarHBondContact O-CD1 3.48Å; R239-E247 IonicContact CZ-OE2 2.61Å; R239-E247 IonicContact NH1-OE1 3.58Å; R239-E247 PolarHBondContact NH1-OE1 3.39Å; R239-E247 IonicContact NH1-OE2 2.84Å; R239-E247 PolarHBondContact NH1-OE2 3.22Å | ||
| 240 | S | 97.4 | Very high | 97.5 | Very high | 25 Ų | 25 | 40.6 Ų | 40.6 | 18% | 0.175 | 23% | 0.229 | C | C | . | . | trans | -80.3 | 170.6 | 174 | 71.6 | 0 | 0 | 0 | 0 | 111.5 | R242 A243 I244 | S240-R242 PolarHBondContact O-N 3.31Å; S240-R242 VanDerWaalsContact O-N 3.08Å; S240-R242 PolarHBondContact OG-N 3.31Å; S240-A243 PolarHBondContact O-N 2.84Å; S240-I244 WeakPolarHBondContact O-CG1 3.25Å; S240-I244 PolarHBondContact O-N 3.17Å; S240-I244 VanDerWaalsContact O-N 3.11Å | ||
| 241 | W | 97.6 | Very high | 97.6 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.015 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -53.1 | -30.5 | 173.7 | 72 | -90.9 | 0 | 0 | 0 | 112.6 | T151 Y154 H176 V180 G224 A243 I244 L245 | T151-W241 HydrophobicContact CG2-CB 4.21Å; T151-W241 HydrophobicContact CG2-CD2 4.13Å; T151-W241 HydrophobicContact CG2-CE3 4.5Å; T151-W241 HydrophobicContact CG2-CG 3.99Å; Y154-W241 HydrophobicContact CD2-CB 3.84Å; Y154-W241 HydrophobicContact CG-CB 4.27Å; H176-W241 HydrophobicContact CB-CH2 4.14Å; H176-W241 AromaticContact CD2-CH2 3.67Å; H176-W241 AromaticContact CD2-CZ3 3.77Å; V180-W241 HydrophobicContact CB-CH2 4.35Å; V180-W241 HydrophobicContact CB-CZ3 3.92Å; V180-W241 HydrophobicContact CG1-CE3 4.41Å; V180-W241 HydrophobicContact CG1-CZ3 4.01Å; V180-W241 HydrophobicContact CG2-CH2 3.51Å; V180-W241 HydrophobicContact CG2-CZ2 4.46Å; V180-W241 HydrophobicContact CG2-CZ3 3.56Å; G224-W241 VanDerWaalsContact C-CD1 3.4Å; G224-W241 VanDerWaalsContact C-NE1 3.26Å; G224-W241 PolarHBondContact O-NE1 3.29Å; W241-A243 VanDerWaalsContact C-N 3.27Å; W241-A243 PolarHBondContact O-N 2.96Å; W241-I244 PolarHBondContact O-N 3.12Å; W241-L245 HydrophobicContact CE3-CD2 3.98Å; W241-L245 HydrophobicContact CZ3-CD2 3.95Å; W241-L245 WeakPolarHBondContact O-CB 3.36Å; W241-L245 PolarHBondContact O-N 2.93Å |
| 242 | R | 97.1 | Very high | 97.6 | Very high | 80 Ų | 80 | 40 Ų | 40 | 30% | 0.302 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.4 | -28.1 | 177.2 | -65.7 | -158.4 | -178.9 | 75.4 | -0.5 | 114.2 | V180 D225 S240 P246 | V180-R242 HydrophobicContact CG1-CB 4.32Å; V180-R242 HydrophobicContact CG2-CB 4.46Å; V180-R242 HydrophobicContact CG2-CG 3.93Å; D225-R242 IonicContact OD1-CZ 3.93Å; D225-R242 IonicContact OD1-NH1 2.62Å; D225-R242 PolarHBondContact OD1-NH1 3.16Å; D225-R242 IonicContact OD1-NH2 3.65Å; D225-R242 IonicContact OD2-CZ 3.93Å; D225-R242 IonicContact OD2-NH1 3.55Å; D225-R242 PolarHBondContact OD2-NH1 2.85Å; D225-R242 IonicContact OD2-NH2 3.33Å; D225-R242 PolarHBondContact OD2-NH2 3.39Å; S240-R242 PolarHBondContact O-N 3.31Å; S240-R242 VanDerWaalsContact O-N 3.08Å; S240-R242 PolarHBondContact OG-N 3.31Å; R242-P246 WeakPolarHBondContact O-CD 3.32Å; R242-P246 VanDerWaalsContact O-CG 3.24Å; R242-P246 WeakPolarHBondContact O-CG 3.33Å |
| 243 | A | 97 | Very high | 97.6 | Very high | 42 Ų | 42 | 35.3 Ų | 35.3 | 35% | 0.347 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -87.5 | -35.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | R239 S240 W241 | R239-A243 HydrophobicContact CB-CB 4.19Å; S240-A243 PolarHBondContact O-N 2.84Å; W241-A243 VanDerWaalsContact C-N 3.27Å; W241-A243 PolarHBondContact O-N 2.96Å |
| 244 | I | 98.1 | Very high | 97.5 | Very high | 5 Ų | 5 | 31.5 Ų | 31.5 | 3% | 0.026 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -81.6 | -47.6 | -172.9 | -59.9 | 168.8 | 0 | 0 | 0 | 112 | Y154 E158 H165 R239 S240 W241 E247 | Y154-I244 HydrophobicContact CD1-CB 4.29Å; Y154-I244 HydrophobicContact CD1-CG2 3.67Å; Y154-I244 HydrophobicContact CG-CG2 4.29Å; Y154-I244 WeakPolarHBondContact O-CD1 3.46Å; E158-I244 HydrophobicContact CB-CD1 3.85Å; E158-I244 HydrophobicContact CG-CD1 4.42Å; H165-I244 PolarHBondContact CE1-O 3.21Å; H165-I244 PolarHBondContact NE2-O 3.42Å; R239-I244 HydrophobicContact CB-CD1 4.14Å; R239-I244 HydrophobicContact CB-CG1 3.96Å; R239-I244 WeakPolarHBondContact O-CD1 3.48Å; S240-I244 WeakPolarHBondContact O-CG1 3.25Å; S240-I244 PolarHBondContact O-N 3.17Å; S240-I244 VanDerWaalsContact O-N 3.11Å; W241-I244 PolarHBondContact O-N 3.12Å; I244-E247 WeakPolarHBondContact O-CA 3.23Å; I244-E247 VanDerWaalsContact O-CB 3.28Å; I244-E247 WeakPolarHBondContact O-CB 3.43Å; I244-E247 PolarHBondContact O-N 3.33Å |
| 245 | L | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -53.5 | -42.9 | -177.7 | 166.9 | 66.5 | 0 | 0 | 0 | 113.3 | P148 Y154 A167 V177 V180 I181 W241 E247 A248 I251 | P148-L245 HydrophobicContact CB-CD1 4.25Å; P148-L245 HydrophobicContact CB-CD2 4.29Å; Y154-L245 HydrophobicContact CE1-CB 4.28Å; Y154-L245 HydrophobicContact CE1-CD1 4.37Å; Y154-L245 HydrophobicContact CE2-CB 4.37Å; Y154-L245 HydrophobicContact CE2-CD1 4.48Å; Y154-L245 VanDerWaalsContact OH-CD1 3.28Å; Y154-L245 WeakPolarHBondContact OH-CD1 3.26Å; A167-L245 HydrophobicContact CB-CD1 3.98Å; V177-L245 HydrophobicContact CB-CD2 4.37Å; V177-L245 HydrophobicContact CG1-CD2 4.23Å; V177-L245 HydrophobicContact CG2-CD2 4.05Å; V180-L245 HydrophobicContact CB-CD2 4.45Å; V180-L245 HydrophobicContact CG1-CD2 4.07Å; I181-L245 HydrophobicContact CG2-CD2 4.41Å; I181-L245 HydrophobicContact CG2-CG 4.11Å; W241-L245 HydrophobicContact CE3-CD2 3.98Å; W241-L245 HydrophobicContact CZ3-CD2 3.95Å; W241-L245 WeakPolarHBondContact O-CB 3.36Å; W241-L245 PolarHBondContact O-N 2.93Å; L245-E247 PolarHBondContact O-N 2.89Å; L245-A248 WeakPolarHBondContact O-CB 3.21Å; L245-A248 PolarHBondContact O-N 2.98Å; L245-A248 VanDerWaalsContact O-N 3.09Å; L245-I251 HydrophobicContact CD1-CD1 3.87Å |
| 246 | P | 97.5 | Very high | 97.4 | Very high | 11 Ų | 11 | 29 Ų | 29 | 7% | 0.071 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -59 | -26.1 | 172.6 | -29.3 | 38.7 | 0 | 0 | 0 | 115.2 | V180 R242 A248 K268 R483 | V180-P246 HydrophobicContact CG1-CG 3.8Å; V180-P246 WeakPolarHBondContact O-CG 3.32Å; R242-P246 WeakPolarHBondContact O-CD 3.32Å; R242-P246 VanDerWaalsContact O-CG 3.24Å; R242-P246 WeakPolarHBondContact O-CG 3.33Å; P246-A248 PolarHBondContact O-N 3.03Å; P246-K268 PolarHBondContact O-NZ 2.97Å; P246-R483 VanDerWaalsContact CB-NH1 3.32Å; P246-R483 VanDerWaalsContact CG-NH1 3.33Å |
| 247 | E | 97.6 | Very high | 97.4 | Very high | 60 Ų | 60 | 26.5 Ų | 26.5 | 28% | 0.28 | 14% | 0.143 | S | C | . | . | G | 310 helix | trans | -79.5 | -6.3 | 178.3 | -61.4 | 179.1 | 177.4 | 0 | 0 | 112.6 | R239 I244 L245 S249 K474 | R239-E247 IonicContact CZ-OE2 2.61Å; R239-E247 IonicContact NH1-OE1 3.58Å; R239-E247 PolarHBondContact NH1-OE1 3.39Å; R239-E247 IonicContact NH1-OE2 2.84Å; R239-E247 PolarHBondContact NH1-OE2 3.22Å; I244-E247 WeakPolarHBondContact O-CA 3.23Å; I244-E247 VanDerWaalsContact O-CB 3.28Å; I244-E247 WeakPolarHBondContact O-CB 3.43Å; I244-E247 PolarHBondContact O-N 3.33Å; L245-E247 PolarHBondContact O-N 2.89Å; E247-S249 PolarHBondContact O-N 2.99Å; E247-K474 HydrophobicContact CB-CD 4.21Å; E247-K474 WeakPolarHBondContact OE2-CE 3.44Å; E247-K474 IonicContact OE2-NZ 3.91Å; E247-K474 PolarHBondContact OE2-NZ 2.57Å |
| 248 | A | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -52.9 | 140.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110 | H165 L245 P246 F250 I251 K268 | H165-A248 WeakPolarHBondContact NE2-CA 3.41Å; H165-A248 WeakPolarHBondContact NE2-CB 3.16Å; H165-A248 PolarHBondContact NE2-N 2.93Å; H165-A248 WeakPolarHBondContact O-CA 3.15Å; L245-A248 WeakPolarHBondContact O-CB 3.21Å; L245-A248 PolarHBondContact O-N 2.98Å; L245-A248 VanDerWaalsContact O-N 3.09Å; P246-A248 PolarHBondContact O-N 3.03Å; A248-F250 VanDerWaalsContact C-N 3.33Å; A248-I251 HydrophobicContact CB-CD1 3.82Å; A248-K268 WeakPolarHBondContact O-CE 3.39Å; A248-K268 PolarHBondContact O-NZ 3.29Å | ||
| 249 | S | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -67.7 | -41.3 | 179.6 | -45.1 | 0 | 0 | 0 | 0 | 110.4 | H165 E247 G473 | H165-S249 PolarHBondContact O-N 3.01Å; H165-S249 PolarHBondContact O-OG 3.37Å; E247-S249 PolarHBondContact O-N 2.99Å; S249-G473 PolarHBondContact OG-O 3.17Å |
| 250 | F | 98.6 | Very high | 97.3 | Very high | 10 Ų | 10 | 21.3 Ų | 21.3 | 4% | 0.044 | 12% | 0.116 | C | C | . | . | trans | -143.6 | 153.5 | 177.2 | -58 | -71.6 | 0 | 0 | 0 | 110.8 | V166 A167 A248 L252 K268 V270 Y465 F468 A469 L475 L478 | V166-F250 HydrophobicContact CG1-CB 4.36Å; V166-F250 HydrophobicContact CG1-CD2 4.43Å; A167-F250 PolarHBondContact N-O 2.95Å; A167-F250 VanDerWaalsContact N-O 3.14Å; A248-F250 VanDerWaalsContact C-N 3.33Å; F250-L252 HydrophobicContact CB-CD2 4.21Å; F250-K268 WeakPolarHBondContact CA-O 3.27Å; F250-V270 HydrophobicContact CB-CG2 4.36Å; F250-V270 HydrophobicContact CD1-CG2 3.99Å; F250-V270 HydrophobicContact CG-CG2 4.4Å; F250-Y465 AromaticContact CD1-CD1 3.58Å; F250-Y465 HydrophobicContact CD1-CD1 3.58Å; F250-Y465 AromaticContact CD1-CE1 3.84Å; F250-Y465 HydrophobicContact CD1-CE1 3.84Å; F250-Y465 AromaticContact CD2-CD1 3.72Å; F250-Y465 HydrophobicContact CD2-CD1 3.72Å; F250-Y465 HydrophobicContact CD2-CG 4.45Å; F250-Y465 AromaticContact CE1-CD1 3.52Å; F250-Y465 HydrophobicContact CE1-CD1 3.52Å; F250-Y465 AromaticContact CE1-CE1 3.58Å; F250-Y465 HydrophobicContact CE1-CE1 3.58Å; F250-Y465 AromaticContact CE2-CD1 3.65Å; F250-Y465 HydrophobicContact CE2-CD1 3.65Å; F250-Y465 HydrophobicContact CE2-CE1 4.47Å; F250-Y465 HydrophobicContact CE2-CG 4.49Å; F250-Y465 AromaticContact CG-CD1 3.68Å; F250-Y465 HydrophobicContact CG-CD1 3.68Å; F250-Y465 HydrophobicContact CG-CE1 4.4Å; F250-Y465 AromaticContact CZ-CD1 3.55Å; F250-Y465 HydrophobicContact CZ-CD1 3.55Å; F250-Y465 AromaticContact CZ-CE1 3.92Å; F250-Y465 HydrophobicContact CZ-CE1 3.92Å; F250-F468 HydrophobicContact CE2-CB 4.45Å; F250-F468 AromaticContact CE2-CD1 3.89Å; F250-F468 HydrophobicContact CE2-CD1 3.89Å; F250-F468 AromaticContact CZ-CD1 3.89Å; F250-F468 HydrophobicContact CZ-CD1 3.89Å; F250-F468 HydrophobicContact CZ-CE1 4.34Å; F250-A469 HydrophobicContact CD2-CB 4.17Å; F250-A469 HydrophobicContact CE2-CB 4.3Å; F250-L475 HydrophobicContact CE1-CD1 3.9Å; F250-L475 HydrophobicContact CE2-CD1 3.89Å; F250-L475 HydrophobicContact CZ-CD1 3.42Å; F250-L475 VanDerWaalsContact CZ-CD1 3.42Å; F250-L478 HydrophobicContact CD1-CD1 4.36Å; F250-L478 HydrophobicContact CE1-CD1 3.76Å | ||
| 251 | I | 98.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 102.1 | 169.9 | -50.8 | -60.8 | 0 | 0 | 0 | 106.9 | A167 L169 V177 I181 L245 A248 T253 K268 I269 V270 | A167-I251 HydrophobicContact CB-CD1 3.7Å; L169-I251 HydrophobicContact CD1-CG2 3.56Å; V177-I251 HydrophobicContact CG1-CG2 4.31Å; I181-I251 HydrophobicContact CD1-CG1 4.12Å; I181-I251 HydrophobicContact CG2-CD1 4.37Å; I181-I251 HydrophobicContact CG2-CG1 4.49Å; L245-I251 HydrophobicContact CD1-CD1 3.87Å; A248-I251 HydrophobicContact CB-CD1 3.82Å; I251-T253 HydrophobicContact CG2-CG2 4.4Å; I251-K268 HydrophobicContact CG1-CD 4.4Å; I251-K268 HydrophobicContact CG1-CG 4.4Å; I251-K268 PolarHBondContact N-O 3.5Å; I251-I269 HydrophobicContact CB-CD1 3.63Å; I251-I269 HydrophobicContact CG1-CD1 4.01Å; I251-I269 HydrophobicContact CG2-CD1 3.94Å; I251-I269 WeakPolarHBondContact O-CA 3.38Å; I251-V270 PolarHBondContact O-N 2.97Å |
| 252 | L | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 123 | -178 | -55.6 | 174.7 | 0 | 0 | 0 | 109.2 | V166 A167 I168 L169 F250 V270 I272 L462 V466 | V166-L252 HydrophobicContact CG2-CD1 4.44Å; A167-L252 WeakPolarHBondContact O-CB 3.15Å; A167-L252 PolarHBondContact O-N 3.44Å; I168-L252 CarbonylContact C-O 3.51Å; I168-L252 WeakPolarHBondContact CA-O 3.16Å; I168-L252 HydrophobicContact CD1-CD1 4.36Å; I168-L252 HydrophobicContact CG1-CB 4.09Å; I168-L252 HydrophobicContact CG1-CD1 3.9Å; L169-L252 PolarHBondContact N-O 2.93Å; F250-L252 HydrophobicContact CB-CD2 4.21Å; L252-V270 CarbonylContact C-O 3.57Å; L252-V270 VanDerWaalsContact CA-O 3.28Å; L252-V270 WeakPolarHBondContact CA-O 3.32Å; L252-V270 HydrophobicContact CD2-CB 3.63Å; L252-V270 HydrophobicContact CD2-CG1 3.89Å; L252-V270 HydrophobicContact CD2-CG2 4.33Å; L252-I272 HydrophobicContact CB-CD1 3.61Å; L252-I272 HydrophobicContact CB-CG1 4Å; L252-I272 HydrophobicContact CD1-CD1 4.32Å; L252-I272 HydrophobicContact CD2-CG2 4.34Å; L252-L462 HydrophobicContact CD1-CD1 3.56Å; L252-V466 HydrophobicContact CD1-CG2 4.07Å |
| 253 | T | 97.5 | Very high | 96.9 | Very high | 5 Ų | 5 | 22.3 Ų | 22.3 | 3% | 0.031 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 146.2 | -173.6 | 64.4 | 0 | 0 | 0 | 0 | 112.3 | L169 I251 Q255 I269 V270 I272 G273 | L169-T253 HydrophobicContact CD2-CG2 4.4Å; I251-T253 HydrophobicContact CG2-CG2 4.4Å; T253-Q255 PolarHBondContact O-N 3.16Å; T253-Q255 WeakPolarHBondContact OG1-CB 3.36Å; T253-I269 HydrophobicContact CG2-CG2 3.81Å; T253-V270 PolarHBondContact N-O 3.49Å; T253-I272 VanDerWaalsContact O-CG1 3.24Å; T253-I272 WeakPolarHBondContact O-CG1 3.21Å; T253-I272 PolarHBondContact O-N 3.02Å; T253-G273 PolarHBondContact O-N 2.86Å |
| 254 | N | 96.6 | Very high | 96.8 | Very high | 9 Ų | 9 | 22.2 Ų | 22.2 | 5% | 0.048 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -77 | 25.8 | 172.3 | -164.2 | 23.3 | 0 | 0 | 0 | 112.7 | L169 T170 A171 G273 G274 L378 | L169-N254 VanDerWaalsContact O-CB 3.3Å; L169-N254 WeakPolarHBondContact O-CB 3.3Å; L169-N254 PolarHBondContact O-N 3.46Å; T170-N254 WeakPolarHBondContact O-CB 3.3Å; T170-N254 PolarHBondContact O-ND2 3.02Å; A171-N254 PolarHBondContact O-N 3.27Å; N254-G273 WeakPolarHBondContact OD1-CA 3.28Å; N254-G274 PolarHBondContact OD1-N 3.49Å; N254-L378 HydrophobicContact CB-CD2 4.17Å |
| 255 | Q | 95.2 | Very high | 96.6 | Very high | 30 Ų | 30 | 25.9 Ų | 25.9 | 14% | 0.14 | 16% | 0.155 | C | C | . | . | trans | -83.2 | 142.4 | 176.7 | -173.9 | -175.4 | 9.9 | 0 | 0 | 110.5 | N172 T253 D260 P271 G273 | N172-Q255 WeakPolarHBondContact OD1-CA 3.38Å; T253-Q255 PolarHBondContact O-N 3.16Å; T253-Q255 WeakPolarHBondContact OG1-CB 3.36Å; Q255-D260 VanDerWaalsContact CD-OD2 3.25Å; Q255-D260 HydrophobicContact CG-CB 3.54Å; Q255-D260 VanDerWaalsContact CG-OD2 3.29Å; Q255-D260 WeakPolarHBondContact CG-OD2 3.25Å; Q255-D260 PolarHBondContact NE2-OD2 3.12Å; Q255-P271 WeakPolarHBondContact O-CB 3.33Å; Q255-G273 VanDerWaalsContact O-CA 3.32Å; Q255-G273 WeakPolarHBondContact O-CA 3.49Å; Q255-G273 PolarHBondContact O-N 3.35Å | ||
| 256 | I | 96.4 | Very high | 96.4 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.015 | 16% | 0.162 | C | C | . | . | trans | -111.2 | 112.3 | 162.1 | -58.4 | 175.5 | 0 | 0 | 0 | 108.1 | L258 L259 D260 T382 L451 Q454 | I256-L258 PolarHBondContact O-N 2.88Å; I256-L258 VanDerWaalsContact O-N 3.14Å; I256-L259 HydrophobicContact CB-CB 3.99Å; I256-L259 HydrophobicContact CG2-CB 4.28Å; I256-L259 WeakPolarHBondContact O-CA 3.4Å; I256-L259 WeakPolarHBondContact O-CB 3.5Å; I256-L259 PolarHBondContact O-N 3.34Å; I256-D260 PolarHBondContact O-N 3.1Å; I256-T382 HydrophobicContact CD1-CG2 3.67Å; I256-L451 HydrophobicContact CG2-CD2 3.56Å; I256-Q454 VanDerWaalsContact CG2-OE1 3.23Å | ||
| 257 | P | 95.7 | Very high | 96.3 | Very high | 73 Ų | 73 | 33.6 Ų | 33.6 | 47% | 0.474 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -31.5 | -173 | -30 | 37.1 | 0 | 0 | 0 | 115.3 | L259 P271 | P257-L259 VanDerWaalsContact C-N 3.26Å; P257-L259 PolarHBondContact O-N 3.36Å; P257-P271 HydrophobicContact CG-CB 3.78Å; P257-P271 HydrophobicContact CG-CG 3.65Å |
| 258 | L | 95.9 | Very high | 96.3 | Very high | 79 Ų | 79 | 31 Ų | 31 | 41% | 0.414 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -14.1 | 176.4 | -65.6 | -178.7 | 0 | 0 | 0 | 113.5 | I256 H410 M450 L451 Q454 | I256-L258 PolarHBondContact O-N 2.88Å; I256-L258 VanDerWaalsContact O-N 3.14Å; L258-H410 PolarHBondContact O-CE1 3.3Å; L258-M450 HydrophobicContact CD1-CB 4.35Å; L258-L451 HydrophobicContact CB-CD2 3.91Å; L258-Q454 HydrophobicContact CD1-CG 3.99Å |
| 259 | L | 96.9 | Very high | 96.2 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -43.1 | 176.9 | 178.6 | 54.2 | 0 | 0 | 0 | 111.5 | I256 P257 V381 A385 M406 L407 H410 L447 L451 | I256-L259 HydrophobicContact CB-CB 3.99Å; I256-L259 HydrophobicContact CG2-CB 4.28Å; I256-L259 WeakPolarHBondContact O-CA 3.4Å; I256-L259 WeakPolarHBondContact O-CB 3.5Å; I256-L259 PolarHBondContact O-N 3.34Å; P257-L259 VanDerWaalsContact C-N 3.26Å; P257-L259 PolarHBondContact O-N 3.36Å; L259-V381 HydrophobicContact CD2-CG1 4.4Å; L259-A385 HydrophobicContact CD1-CB 4.17Å; L259-A385 HydrophobicContact CD2-CB 4.12Å; L259-M406 HydrophobicContact CD1-CE 4.36Å; L259-M406 HydrophobicContact CD2-CE 3.95Å; L259-M406 HydrophobicContact CG-CE 3.81Å; L259-M406 HydrophobicContact CG-CG 4.46Å; L259-M406 HydrophobicContact CG-SD 4.12Å; L259-M406 WeakPolarHBondContact O-CG 3.44Å; L259-L407 HydrophobicContact CD1-CD1 4.23Å; L259-H410 PolarHBondContact O-NE2 3.42Å; L259-L447 HydrophobicContact CD1-CD1 4.47Å; L259-L447 HydrophobicContact CD1-CD2 3.92Å; L259-L451 HydrophobicContact CB-CD2 4.07Å; L259-L451 HydrophobicContact CD2-CD1 4.45Å |
| 260 | D | 96.3 | Very high | 96.2 | Very high | 7 Ų | 7 | 31.8 Ų | 31.8 | 4% | 0.037 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -76.6 | 170.5 | -171.9 | -160.7 | 19.8 | 0 | 0 | 0 | 113.6 | Q255 I256 R402 M406 | Q255-D260 VanDerWaalsContact CD-OD2 3.25Å; Q255-D260 HydrophobicContact CG-CB 3.54Å; Q255-D260 VanDerWaalsContact CG-OD2 3.29Å; Q255-D260 WeakPolarHBondContact CG-OD2 3.25Å; Q255-D260 PolarHBondContact NE2-OD2 3.12Å; I256-D260 PolarHBondContact O-N 3.1Å; D260-R402 VanDerWaalsContact CG-NH2 3.3Å; D260-R402 IonicContact OD1-CZ 2.95Å; D260-R402 VanDerWaalsContact OD1-CZ 3.28Å; D260-R402 IonicContact OD1-NH1 3.4Å; D260-R402 PolarHBondContact OD1-NH1 3.37Å; D260-R402 IonicContact OD1-NH2 3.96Å; D260-R402 PolarHBondContact OD1-NH2 3.4Å; D260-R402 IonicContact OD2-CZ 2.73Å; D260-R402 IonicContact OD2-NH1 3.57Å; D260-R402 IonicContact OD2-NH2 3.76Å; D260-R402 PolarHBondContact OD2-NH2 3.35Å; D260-M406 HydrophobicContact CB-SD 3.95Å |
| 261 | F | 96 | Very high | 96.1 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -65.4 | 131.3 | 172.3 | -60.7 | -75.1 | 0 | 0 | 0 | 110.8 | P191 D199 A263 R402 Q405 M406 | P191-F261 HydrophobicContact CG-CD2 4.09Å; P191-F261 HydrophobicContact CG-CE1 4.4Å; P191-F261 HydrophobicContact CG-CE2 3.82Å; P191-F261 HydrophobicContact CG-CG 4.47Å; P191-F261 HydrophobicContact CG-CZ 3.97Å; D199-F261 HydrophobicContact CB-CD1 3.77Å; D199-F261 HydrophobicContact CB-CE1 4.13Å; F261-A263 PolarHBondContact O-N 2.86Å; F261-R402 HydrophobicContact CE2-CG 4.2Å; F261-Q405 HydrophobicContact CZ-CB 3.94Å; F261-M406 HydrophobicContact CD2-CB 4.26Å; F261-M406 HydrophobicContact CE2-CB 3.66Å; F261-M406 HydrophobicContact CE2-CG 4.38Å; F261-M406 VanDerWaalsContact CZ-CA 3.45Å; F261-M406 HydrophobicContact CZ-CB 4.02Å; F261-M406 VanDerWaalsContact CZ-N 3.33Å |
| 262 | P | 94.8 | Very high | 96.1 | Very high | 92 Ų | 92 | 33.5 Ų | 33.5 | 60% | 0.597 | 20% | 0.198 | S | C | * | . | P | Polyproline II helix | trans | -57.2 | 125.8 | 167.3 | -23.8 | 34.4 | 0 | 0 | 0 | 110 | ||
| 263 | A | 94.1 | Very high | 96 | Very high | 37 Ų | 37 | 33.8 Ų | 33.8 | 31% | 0.306 | 20% | 0.2 | S | C | . | . | trans | -143.9 | 152.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | V190 F261 T265 | V190-A263 HydrophobicContact CG1-CB 4.02Å; V190-A263 HydrophobicContact CG2-CB 3.69Å; F261-A263 PolarHBondContact O-N 2.86Å; A263-T265 PolarHBondContact O-N 3.18Å | ||
| 264 | P | 94.4 | Very high | 95.7 | Very high | 40 Ų | 40 | 33.9 Ų | 33.9 | 26% | 0.26 | 20% | 0.203 | S | C | . | . | trans | -56.9 | 136.3 | 168.2 | -25.3 | 36.8 | 0 | 0 | 0 | 111.3 | P184 A186 Y189 | P184-P264 HydrophobicContact CB-CB 3.88Å; A186-P264 HydrophobicContact CB-CG 4.02Å; Y189-P264 WeakPolarHBondContact OH-CD 3.44Å; Y189-P264 WeakPolarHBondContact OH-CG 3.47Å | ||
| 265 | T | 94.2 | Very high | 95.6 | Very high | 82 Ų | 82 | 34 Ų | 34 | 50% | 0.503 | 20% | 0.203 | S | C | . | . | trans | -151.2 | 176 | -180 | -165.3 | 0 | 0 | 0 | 0 | 109.5 | A263 I269 | A263-T265 PolarHBondContact O-N 3.18Å; T265-I269 WeakPolarHBondContact OG1-CB 3.1Å | ||
| 266 | F | 94 | Very high | 95.2 | Very high | 37 Ų | 37 | 33.6 Ų | 33.6 | 16% | 0.162 | 20% | 0.204 | C | C | . | . | trans | -142.9 | 164.2 | 173.4 | 52.9 | -108.3 | 0 | 0 | 0 | 110.9 | I181 Q183 K268 I269 N480 | I181-F266 HydrophobicContact CD1-CZ 4.32Å; I181-F266 HydrophobicContact CG1-CZ 4.09Å; Q183-F266 VanDerWaalsContact CA-CE1 3.45Å; Q183-F266 HydrophobicContact CB-CE1 3.98Å; Q183-F266 HydrophobicContact CB-CZ 4.4Å; F266-K268 HydrophobicContact CD2-CB 3.48Å; F266-K268 VanDerWaalsContact CD2-CB 3.48Å; F266-K268 HydrophobicContact CE2-CB 3.4Å; F266-K268 HydrophobicContact CE2-CD 3.9Å; F266-K268 HydrophobicContact CE2-CG 4.25Å; F266-K268 PolarHBondContact O-N 2.97Å; F266-I269 HydrophobicContact CD2-CG1 4.43Å; F266-I269 HydrophobicContact CE2-CG1 4.4Å; F266-I269 WeakPolarHBondContact O-CB 3.37Å; F266-I269 PolarHBondContact O-N 2.55Å; F266-N480 HydrophobicContact CD1-CB 4.44Å; F266-N480 HydrophobicContact CE1-CB 3.96Å; F266-N480 HydrophobicContact CZ-CB 4.15Å | ||
| 267 | D | 95.3 | Very high | 94.7 | Very high | 136 Ų | 136 | 33.9 Ų | 33.9 | 73% | 0.727 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -12.3 | -165 | -61.3 | -33.9 | 0 | 0 | 0 | 116 | I269 | D267-I269 VanDerWaalsContact C-N 3.32Š|
| 268 | K | 96.3 | Very high | 94.2 | Very high | 5 Ų | 5 | 36 Ų | 36 | 2% | 0.022 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -27.2 | 171.4 | -163.1 | -177.6 | -176.3 | 126.5 | 0 | 112.6 | P246 A248 F250 I251 F266 L478 | P246-K268 PolarHBondContact O-NZ 2.97Å; A248-K268 WeakPolarHBondContact O-CE 3.39Å; A248-K268 PolarHBondContact O-NZ 3.29Å; F250-K268 WeakPolarHBondContact CA-O 3.27Å; I251-K268 HydrophobicContact CG1-CD 4.4Å; I251-K268 HydrophobicContact CG1-CG 4.4Å; I251-K268 PolarHBondContact N-O 3.5Å; F266-K268 HydrophobicContact CD2-CB 3.48Å; F266-K268 VanDerWaalsContact CD2-CB 3.48Å; F266-K268 HydrophobicContact CE2-CB 3.4Å; F266-K268 HydrophobicContact CE2-CD 3.9Å; F266-K268 HydrophobicContact CE2-CG 4.25Å; F266-K268 PolarHBondContact O-N 2.97Å; K268-L478 HydrophobicContact CB-CB 4.38Å; K268-L478 HydrophobicContact CG-CB 4.49Å |
| 269 | I | 97.2 | Very high | 93.4 | Very high | 11 Ų | 11 | 35.2 Ų | 35.2 | 6% | 0.056 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 116.6 | 178.2 | -53.9 | -57.6 | 0 | 0 | 0 | 108.4 | I181 I251 T253 T265 F266 D267 | I181-I269 HydrophobicContact CD1-CD1 3.45Å; I181-I269 VanDerWaalsContact CD1-CD1 3.45Å; I251-I269 HydrophobicContact CB-CD1 3.63Å; I251-I269 HydrophobicContact CG1-CD1 4.01Å; I251-I269 HydrophobicContact CG2-CD1 3.94Å; I251-I269 WeakPolarHBondContact O-CA 3.38Å; T253-I269 HydrophobicContact CG2-CG2 3.81Å; T265-I269 WeakPolarHBondContact OG1-CB 3.1Å; F266-I269 HydrophobicContact CD2-CG1 4.43Å; F266-I269 HydrophobicContact CE2-CG1 4.4Å; F266-I269 WeakPolarHBondContact O-CB 3.37Å; F266-I269 PolarHBondContact O-N 2.55Å; D267-I269 VanDerWaalsContact C-N 3.32Å |
| 270 | V | 97.8 | Very high | 92.8 | Very high | 6 Ų | 6 | 39.8 Ų | 39.8 | 4% | 0.036 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 108.8 | -172.6 | -179 | 0 | 0 | 0 | 0 | 109.4 | F250 I251 L252 T253 I272 T461 Y465 | F250-V270 HydrophobicContact CB-CG2 4.36Å; F250-V270 HydrophobicContact CD1-CG2 3.99Å; F250-V270 HydrophobicContact CG-CG2 4.4Å; I251-V270 PolarHBondContact O-N 2.97Å; L252-V270 CarbonylContact C-O 3.57Å; L252-V270 VanDerWaalsContact CA-O 3.28Å; L252-V270 WeakPolarHBondContact CA-O 3.32Å; L252-V270 HydrophobicContact CD2-CB 3.63Å; L252-V270 HydrophobicContact CD2-CG1 3.89Å; L252-V270 HydrophobicContact CD2-CG2 4.33Å; T253-V270 PolarHBondContact N-O 3.49Å; V270-I272 HydrophobicContact CG1-CG2 4.49Å; V270-I272 PolarHBondContact O-N 2.98Å; V270-T461 HydrophobicContact CG1-CG2 3.49Å; V270-T461 VanDerWaalsContact CG1-CG2 3.49Å; V270-Y465 HydrophobicContact CB-CD1 4.48Å; V270-Y465 HydrophobicContact CB-CE1 4.41Å; V270-Y465 HydrophobicContact CG1-CD1 4.22Å; V270-Y465 HydrophobicContact CG1-CD2 3.78Å; V270-Y465 HydrophobicContact CG1-CE1 4.15Å; V270-Y465 HydrophobicContact CG1-CE2 3.69Å; V270-Y465 HydrophobicContact CG1-CG 4.03Å; V270-Y465 HydrophobicContact CG2-CD1 3.65Å; V270-Y465 HydrophobicContact CG2-CE1 3.38Å; V270-Y465 HydrophobicContact CG2-CE2 4.43Å; V270-Y465 HydrophobicContact CG2-CG 4.28Å |
| 271 | P | 97.3 | Very high | 92 | Very high | 45 Ų | 45 | 44.3 Ų | 44.3 | 29% | 0.292 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 127 | 178.5 | -19.4 | 32.2 | 0 | 0 | 0 | 111.8 | Q255 P257 | Q255-P271 WeakPolarHBondContact O-CB 3.33Å; P257-P271 HydrophobicContact CG-CB 3.78Å; P257-P271 HydrophobicContact CG-CG 3.65Å |
| 272 | I | 97.5 | Very high | 91.3 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.015 | 28% | 0.278 | C | S | . | . | trans | -128.2 | 20.2 | 175.4 | 56.9 | 162.5 | 0 | 0 | 0 | 111.3 | I168 L252 T253 V270 L275 T461 L462 | I168-I272 HydrophobicContact CG2-CD1 4.29Å; L252-I272 HydrophobicContact CB-CD1 3.61Å; L252-I272 HydrophobicContact CB-CG1 4Å; L252-I272 HydrophobicContact CD1-CD1 4.32Å; L252-I272 HydrophobicContact CD2-CG2 4.34Å; T253-I272 VanDerWaalsContact O-CG1 3.24Å; T253-I272 WeakPolarHBondContact O-CG1 3.21Å; T253-I272 PolarHBondContact O-N 3.02Å; V270-I272 HydrophobicContact CG1-CG2 4.49Å; V270-I272 PolarHBondContact O-N 2.98Å; I272-L275 HydrophobicContact CB-CD1 4.46Å; I272-L275 HydrophobicContact CB-CG 4.49Å; I272-L275 HydrophobicContact CD1-CD1 3.8Å; I272-L275 HydrophobicContact CG1-CD1 4.47Å; I272-L275 VanDerWaalsContact O-CG 3.25Å; I272-L275 WeakPolarHBondContact O-CG 3.28Å; I272-T461 HydrophobicContact CG2-CG2 3.97Å; I272-L462 HydrophobicContact CD1-CD1 4.27Å; I272-L462 HydrophobicContact CG2-CB 4.33Å | ||
| 273 | G | 95.7 | Very high | 90.9 | Very high | 5 Ų | 5 | 52.3 Ų | 52.3 | 5% | 0.052 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 142.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | T253 N254 Q255 | T253-G273 PolarHBondContact O-N 2.86Å; N254-G273 WeakPolarHBondContact OD1-CA 3.28Å; Q255-G273 VanDerWaalsContact O-CA 3.32Å; Q255-G273 WeakPolarHBondContact O-CA 3.49Å; Q255-G273 PolarHBondContact O-N 3.35Å |
| 274 | G | 92.6 | Very high | 90.7 | Very high | 8 Ų | 8 | 51.3 Ų | 51.3 | 8% | 0.082 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.1 | 7.5 | 177 | 0 | 0 | 0 | 0 | 0 | 116.1 | N254 S276 V277 | N254-G274 PolarHBondContact OD1-N 3.49Å; G274-S276 PolarHBondContact O-N 2.98Å; G274-V277 PolarHBondContact O-N 3.25Å; G274-V277 VanDerWaalsContact O-N 3.13Å |
| 275 | L | 93.2 | Very high | 90.5 | Very high | 10 Ų | 10 | 57.9 Ų | 57.9 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -38.2 | 178.7 | -63.3 | -172.4 | 0 | 0 | 0 | 114.1 | A39 A40 I43 I272 P458 K459 L462 | A39-L275 HydrophobicContact CB-CB 4.41Å; A40-L275 HydrophobicContact CB-CD1 4.37Å; I43-L275 HydrophobicContact CD1-CB 4.07Å; I43-L275 HydrophobicContact CD1-CD1 4.14Å; I43-L275 HydrophobicContact CD1-CD2 3.91Å; I43-L275 HydrophobicContact CD1-CG 4.26Å; I272-L275 HydrophobicContact CB-CD1 4.46Å; I272-L275 HydrophobicContact CB-CG 4.49Å; I272-L275 HydrophobicContact CD1-CD1 3.8Å; I272-L275 HydrophobicContact CG1-CD1 4.47Å; I272-L275 VanDerWaalsContact O-CG 3.25Å; I272-L275 WeakPolarHBondContact O-CG 3.28Å; L275-P458 HydrophobicContact CD2-CB 3.8Å; L275-P458 HydrophobicContact CD2-CG 4.3Å; L275-K459 HydrophobicContact CD2-CG 4.09Å; L275-L462 HydrophobicContact CD1-CD2 3.69Å |
| 276 | S | 86.6 | Confident | 90.4 | Very high | 22 Ų | 22 | 55.3 Ų | 55.3 | 15% | 0.154 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -4.8 | -175.4 | 67.2 | 0 | 0 | 0 | 0 | 113.7 | G274 | G274-S276 PolarHBondContact O-N 2.98Š|
| 277 | V | 87.8 | Confident | 90.4 | Very high | 10 Ų | 10 | 57.2 Ų | 57.2 | 6% | 0.061 | 29% | 0.286 | C | S | . | . | trans | -88.5 | 125.4 | 179.6 | -179.8 | 0 | 0 | 0 | 0 | 109.5 | G274 T279 T382 E383 M386 | G274-V277 PolarHBondContact O-N 3.25Å; G274-V277 VanDerWaalsContact O-N 3.13Å; V277-T279 HydrophobicContact CG1-CG2 4.14Å; V277-T279 PolarHBondContact O-N 2.88Å; V277-T382 HydrophobicContact CG2-CG2 3.7Å; V277-E383 HydrophobicContact CB-CG 4.43Å; V277-E383 HydrophobicContact CG1-CG 3.98Å; V277-E383 HydrophobicContact CG2-CG 3.8Å; V277-M386 HydrophobicContact CB-SD 4.15Å; V277-M386 HydrophobicContact CG1-SD 3.86Å | ||
| 278 | K | 84.5 | Confident | 90.5 | Very high | 118 Ų | 118 | 58.9 Ų | 58.9 | 51% | 0.513 | 29% | 0.289 | S | S | . | . | trans | -81.8 | 113.5 | 170.4 | -54.4 | 174.4 | -176.9 | 172.3 | 0 | 107.8 | L284 N361 M387 | K278-L284 HydrophobicContact CB-CD2 4.13Å; K278-L284 HydrophobicContact CD-CD2 4.12Å; K278-N361 PolarHBondContact O-ND2 3.33Å; K278-M387 WeakPolarHBondContact O-CE 3.39Å | ||
| 279 | T | 78.6 | Confident | 90.5 | Very high | 62 Ų | 62 | 64.6 Ų | 64.6 | 38% | 0.38 | 31% | 0.314 | S | S | . | . | trans | -97.5 | -18.2 | -174.5 | 53.6 | 0 | 0 | 0 | 0 | 113.7 | V277 K281 M386 | V277-T279 HydrophobicContact CG1-CG2 4.14Å; V277-T279 PolarHBondContact O-N 2.88Å; T279-K281 PolarHBondContact O-N 3.22Å; T279-M386 HydrophobicContact CG2-CE 3.28Å; T279-M386 HydrophobicContact CG2-SD 3.72Å | ||
| 280 | E | 84.1 | Confident | 90.5 | Very high | 99 Ų | 99 | 64.6 Ų | 64.6 | 46% | 0.463 | 31% | 0.314 | S | S | . | . | trans | -70.8 | 87.4 | 179.2 | -69.9 | -172.7 | -145.8 | 0 | 0 | 111.3 | K282 N283 | E280-K282 HydrophobicContact CB-CG 4.35Å; E280-K282 PolarHBondContact O-N 3.43Å; E280-K282 WeakPolarHBondContact OE2-CE 3.22Å; E280-K282 IonicContact OE2-NZ 3.63Å; E280-K282 PolarHBondContact OE2-NZ 2.99Å; E280-N283 HydrophobicContact CB-CB 4.4Å; E280-N283 PolarHBondContact O-N 2.88Å; E280-N283 PolarHBondContact OE2-ND2 2.82Å | ||
| 281 | K | 79.2 | Confident | 90.4 | Very high | 101 Ų | 101 | 66.3 Ų | 66.3 | 44% | 0.439 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -49.8 | -35.8 | 179.7 | -65.6 | -171 | 176.2 | -169.2 | 0 | 113.2 | T279 N283 L284 M387 | T279-K281 PolarHBondContact O-N 3.22Å; K281-N283 PolarHBondContact O-N 2.78Å; K281-N283 VanDerWaalsContact O-N 3.15Å; K281-L284 PolarHBondContact O-N 3.42Å; K281-M387 HydrophobicContact CD-SD 4.32Å; K281-M387 VanDerWaalsContact CE-SD 3.6Å; K281-M387 HydrophobicContact CG-SD 3.95Å; K281-M387 PolarHBondContact NZ-O 2.59Å |
| 282 | K | 81.6 | Confident | 90.5 | Very high | 155 Ų | 155 | 71.7 Ų | 71.7 | 67% | 0.674 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -58.2 | -26.3 | 176.9 | 62.1 | 173 | -173.9 | -175.3 | 0 | 114.2 | E280 | E280-K282 HydrophobicContact CB-CG 4.35Å; E280-K282 PolarHBondContact O-N 3.43Å; E280-K282 WeakPolarHBondContact OE2-CE 3.22Å; E280-K282 IonicContact OE2-NZ 3.63Å; E280-K282 PolarHBondContact OE2-NZ 2.99Å |
| 283 | N | 87.8 | Confident | 90.5 | Very high | 107 Ų | 107 | 72.2 Ų | 72.2 | 57% | 0.572 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -95.5 | -6.9 | 179.8 | -58.4 | -20.5 | 0 | 0 | 0 | 112.1 | E280 K281 K285 | E280-N283 HydrophobicContact CB-CB 4.4Å; E280-N283 PolarHBondContact O-N 2.88Å; E280-N283 PolarHBondContact OE2-ND2 2.82Å; K281-N283 PolarHBondContact O-N 2.78Å; K281-N283 VanDerWaalsContact O-N 3.15Å; N283-K285 PolarHBondContact O-N 3.02Å |
| 284 | L | 89.1 | Confident | 90.6 | Very high | 15 Ų | 15 | 72.1 Ų | 72.1 | 8% | 0.079 | 35% | 0.345 | C | S | . | . | trans | -95.6 | 78.5 | 179.3 | -61.2 | 179 | 0 | 0 | 0 | 109.1 | K278 K281 N361 E362 A365 M387 | K278-L284 HydrophobicContact CB-CD2 4.13Å; K278-L284 HydrophobicContact CD-CD2 4.12Å; K281-L284 PolarHBondContact O-N 3.42Å; L284-N361 WeakPolarHBondContact CD1-ND2 3.24Å; L284-N361 WeakPolarHBondContact CD2-ND2 3.37Å; L284-E362 HydrophobicContact CB-CG 4.22Å; L284-E362 HydrophobicContact CD2-CG 4.41Å; L284-A365 HydrophobicContact CB-CB 4.01Å; L284-A365 HydrophobicContact CD1-CB 3.77Å; L284-M387 HydrophobicContact CD1-CE 3.97Å; L284-M387 HydrophobicContact CD1-SD 4.26Å | ||
| 285 | K | 89.4 | Confident | 90.9 | Very high | 179 Ų | 179 | 74.2 Ų | 74.2 | 78% | 0.778 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -95.3 | 120.5 | 175.9 | -66.6 | -172.1 | -179.5 | -178.2 | 0 | 109.8 | N283 | N283-K285 PolarHBondContact O-N 3.02Š|
| 286 | L | 92.9 | Very high | 91.1 | Very high | 27 Ų | 27 | 78.4 Ų | 78.4 | 14% | 0.141 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 140 | 172.4 | -166.1 | 64.2 | 0 | 0 | 0 | 110 | W290 L294 P359 E362 L363 | L286-W290 HydrophobicContact CD1-CB 3.64Å; L286-W290 HydrophobicContact CD1-CG 4.27Å; L286-W290 HydrophobicContact CD2-CB 3.67Å; L286-W290 HydrophobicContact CG-CB 3.61Å; L286-L294 HydrophobicContact CD2-CD1 3.46Å; L286-L294 VanDerWaalsContact CD2-CD1 3.46Å; L286-L294 HydrophobicContact CD2-CG 4.26Å; L286-P359 HydrophobicContact CD1-CB 4.35Å; L286-P359 HydrophobicContact CD1-CG 3.66Å; L286-E362 HydrophobicContact CB-CB 4.43Å; L286-E362 HydrophobicContact CD1-CB 3.9Å; L286-L363 HydrophobicContact CD1-CD2 3.88Å; L286-L363 HydrophobicContact CD1-CG 4.02Å; L286-L363 HydrophobicContact CD2-CD2 4.02Å |
| 287 | D | 94.1 | Very high | 91.6 | Very high | 77 Ų | 77 | 79.3 Ų | 79.3 | 41% | 0.412 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -65 | 162.6 | 175.1 | 68.2 | 44.9 | 0 | 0 | 0 | 112 | K289 W290 S291 | D287-K289 PolarHBondContact O-N 3.33Å; D287-K289 WeakPolarHBondContact OD1-CB 3.3Å; D287-K289 PolarHBondContact OD1-N 3.4Å; D287-K289 VanDerWaalsContact OD1-N 3.15Å; D287-W290 PolarHBondContact O-N 3.43Å; D287-W290 PolarHBondContact OD1-N 3.16Å; D287-S291 VanDerWaalsContact O-CB 3.3Å; D287-S291 WeakPolarHBondContact O-CB 3.48Å; D287-S291 PolarHBondContact O-N 3.29Å |
| 288 | E | 96.2 | Very high | 92 | Very high | 172 Ų | 172 | 87.3 Ų | 87.3 | 80% | 0.804 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -60.1 | -35.4 | -174.9 | -170.6 | 179 | 175.7 | 0 | 0 | 112.4 | K292 | E288-K292 VanDerWaalsContact O-CB 3.32Å; E288-K292 WeakPolarHBondContact O-CB 3.46Å; E288-K292 PolarHBondContact O-N 3.43Å |
| 289 | K | 96.8 | Very high | 92.7 | Very high | 124 Ų | 124 | 83.3 Ų | 83.3 | 54% | 0.539 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.1 | -56.2 | 179.8 | 174.3 | -170.4 | 172.3 | -173.4 | 0 | 110.4 | D287 K292 I293 | D287-K289 PolarHBondContact O-N 3.33Å; D287-K289 WeakPolarHBondContact OD1-CB 3.3Å; D287-K289 PolarHBondContact OD1-N 3.4Å; D287-K289 VanDerWaalsContact OD1-N 3.15Å; K289-K292 PolarHBondContact O-N 3.48Å; K289-I293 HydrophobicContact CG-CD1 4.11Å; K289-I293 WeakPolarHBondContact O-CG1 3.27Å; K289-I293 PolarHBondContact O-N 2.87Å; K289-I293 VanDerWaalsContact O-N 3.1Å |
| 290 | W | 97 | Very high | 93.6 | Very high | 12 Ų | 12 | 80.5 Ų | 80.5 | 5% | 0.045 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -72.1 | -33.9 | -177 | -60.3 | 114.6 | 0 | 0 | 0 | 111.8 | L286 D287 K292 I293 L294 I335 H353 L358 P359 L363 | L286-W290 HydrophobicContact CD1-CB 3.64Å; L286-W290 HydrophobicContact CD1-CG 4.27Å; L286-W290 HydrophobicContact CD2-CB 3.67Å; L286-W290 HydrophobicContact CG-CB 3.61Å; D287-W290 PolarHBondContact O-N 3.43Å; D287-W290 PolarHBondContact OD1-N 3.16Å; W290-K292 VanDerWaalsContact C-N 3.3Å; W290-K292 PolarHBondContact O-N 3.32Å; W290-I293 HydrophobicContact CD2-CD1 4.41Å; W290-I293 HydrophobicContact CE3-CD1 3.56Å; W290-I293 HydrophobicContact CZ3-CD1 3.7Å; W290-I293 PolarHBondContact O-N 2.63Å; W290-L294 WeakPolarHBondContact O-CG 3.39Å; W290-L294 PolarHBondContact O-N 2.86Å; W290-I335 HydrophobicContact CE3-CD1 3.99Å; W290-I335 HydrophobicContact CE3-CG1 4.33Å; W290-I335 HydrophobicContact CE3-CG2 4.13Å; W290-I335 HydrophobicContact CH2-CG2 4.39Å; W290-I335 HydrophobicContact CZ3-CD1 4.46Å; W290-I335 HydrophobicContact CZ3-CG1 4.31Å; W290-I335 HydrophobicContact CZ3-CG2 3.76Å; W290-H353 HydrophobicContact CZ3-CB 3.99Å; W290-L358 HydrophobicContact CH2-CD2 3.29Å; W290-L358 HydrophobicContact CZ2-CD2 3.11Å; W290-L358 HydrophobicContact CZ3-CD2 4.1Å; W290-P359 VanDerWaalsContact CD1-CG 3.49Å; W290-P359 HydrophobicContact CG-CG 4.25Å; W290-L363 HydrophobicContact CB-CD2 4.44Å |
| 291 | S | 97.4 | Very high | 94.3 | Very high | 42 Ų | 42 | 75.9 Ų | 75.9 | 29% | 0.294 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.7 | -39 | 174.4 | -171.9 | 0 | 0 | 0 | 0 | 112.2 | D287 G295 R368 | D287-S291 VanDerWaalsContact O-CB 3.3Å; D287-S291 WeakPolarHBondContact O-CB 3.48Å; D287-S291 PolarHBondContact O-N 3.29Å; S291-G295 PolarHBondContact O-N 2.71Å; S291-R368 PolarHBondContact O-NH1 3.47Å; S291-R368 PolarHBondContact OG-NH2 2.93Å |
| 292 | K | 97.9 | Very high | 95.2 | Very high | 158 Ų | 158 | 71.1 Ų | 71.1 | 69% | 0.687 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -65.2 | -45.8 | 173 | -177.8 | 175.8 | 179.1 | 179 | 0 | 111.5 | E288 K289 W290 L294 G295 I296 | E288-K292 VanDerWaalsContact O-CB 3.32Å; E288-K292 WeakPolarHBondContact O-CB 3.46Å; E288-K292 PolarHBondContact O-N 3.43Å; K289-K292 PolarHBondContact O-N 3.48Å; W290-K292 VanDerWaalsContact C-N 3.3Å; W290-K292 PolarHBondContact O-N 3.32Å; K292-L294 VanDerWaalsContact C-N 3.34Å; K292-L294 PolarHBondContact O-N 3.47Å; K292-G295 PolarHBondContact O-N 3.24Å; K292-I296 WeakPolarHBondContact O-CG1 3.41Å |
| 293 | I | 98 | Very high | 96 | Very high | 14 Ų | 14 | 63.8 Ų | 63.8 | 7% | 0.072 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -56.9 | -46 | 178 | -73.9 | 167.3 | 0 | 0 | 0 | 111.4 | K289 W290 G295 I296 T333 I335 H353 | K289-I293 HydrophobicContact CG-CD1 4.11Å; K289-I293 WeakPolarHBondContact O-CG1 3.27Å; K289-I293 PolarHBondContact O-N 2.87Å; K289-I293 VanDerWaalsContact O-N 3.1Å; W290-I293 HydrophobicContact CD2-CD1 4.41Å; W290-I293 HydrophobicContact CE3-CD1 3.56Å; W290-I293 HydrophobicContact CZ3-CD1 3.7Å; W290-I293 PolarHBondContact O-N 2.63Å; I293-G295 PolarHBondContact O-N 3.44Å; I293-G295 VanDerWaalsContact O-N 3.17Å; I293-I296 PolarHBondContact O-N 2.79Å; I293-T333 HydrophobicContact CG2-CG2 3.58Å; I293-I335 HydrophobicContact CG2-CD1 4.04Å; I293-I335 HydrophobicContact CG2-CG1 4.08Å; I293-H353 HydrophobicContact CD1-CB 4.24Å; I293-H353 WeakPolarHBondContact CG2-CD2 3.29Å |
| 294 | L | 97.9 | Very high | 96.5 | Very high | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -16.6 | 177.5 | -68.7 | -176.8 | 0 | 0 | 0 | 113.9 | L286 W290 K292 N300 I335 L363 D366 R368 | L286-L294 HydrophobicContact CD2-CD1 3.46Å; L286-L294 VanDerWaalsContact CD2-CD1 3.46Å; L286-L294 HydrophobicContact CD2-CG 4.26Å; W290-L294 WeakPolarHBondContact O-CG 3.39Å; W290-L294 PolarHBondContact O-N 2.86Å; K292-L294 VanDerWaalsContact C-N 3.34Å; K292-L294 PolarHBondContact O-N 3.47Å; L294-N300 WeakPolarHBondContact CA-OD1 3.37Å; L294-N300 HydrophobicContact CD2-CB 3.55Å; L294-N300 VanDerWaalsContact CD2-CG 3.45Å; L294-N300 PolarHBondContact O-ND2 2.86Å; L294-N300 VanDerWaalsContact O-ND2 3.15Å; L294-I335 HydrophobicContact CD2-CD1 3.76Å; L294-I335 HydrophobicContact CG-CD1 4.41Å; L294-L363 HydrophobicContact CD1-CD2 4.1Å; L294-L363 HydrophobicContact CD2-CD2 4.48Å; L294-L363 HydrophobicContact CG-CD2 4.48Å; L294-D366 HydrophobicContact CD1-CB 3.95Å; L294-R368 HydrophobicContact CB-CB 4.34Å |
| 295 | G | 97.8 | Very high | 96.9 | Very high | 53 Ų | 53 | 58.3 Ų | 58.3 | 55% | 0.546 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -6.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | S291 K292 I293 | S291-G295 PolarHBondContact O-N 2.71Å; K292-G295 PolarHBondContact O-N 3.24Å; I293-G295 PolarHBondContact O-N 3.44Å; I293-G295 VanDerWaalsContact O-N 3.17Å |
| 296 | I | 97.9 | Very high | 96.9 | Very high | 97 Ų | 97 | 50.5 Ų | 50.5 | 50% | 0.497 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -43.1 | -174.3 | -59.2 | 174.8 | 0 | 0 | 0 | 111.6 | K292 I293 | K292-I296 WeakPolarHBondContact O-CG1 3.41Å; I293-I296 PolarHBondContact O-N 2.79Å |
| 297 | R | 98 | Very high | 96.4 | Very high | 41 Ų | 41 | 51.7 Ų | 51.7 | 16% | 0.155 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -126.2 | 165.6 | -171 | -58.3 | -175.7 | 175 | 79.1 | -0 | 111.4 | P330 D331 T333 D350 | R297-P330 WeakPolarHBondContact CD-O 3.03Å; R297-P330 PolarHBondContact NE-O 3.27Å; R297-D331 WeakPolarHBondContact CB-O 3.1Å; R297-T333 WeakPolarHBondContact CB-OG1 3.35Å; R297-T333 WeakPolarHBondContact CD-OG1 2.94Å; R297-T333 WeakPolarHBondContact CG-OG1 3.49Å; R297-D350 PolarHBondContact NH1-O 3.44Å; R297-D350 VanDerWaalsContact NH2-CG 3.28Å; R297-D350 PolarHBondContact NH2-O 3.01Å; R297-D350 VanDerWaalsContact NH2-O 3.16Å; R297-D350 IonicContact NH2-OD1 2.72Å; R297-D350 PolarHBondContact NH2-OD1 3.19Å; R297-D350 IonicContact NH2-OD2 3.73Å; R297-D350 PolarHBondContact NH2-OD2 2.82Å |
| 298 | K | 95.7 | Very high | 96 | Very high | 179 Ų | 179 | 50.7 Ų | 50.7 | 78% | 0.778 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -68.7 | -44.3 | -176.3 | -177.9 | -179 | 175.9 | -178.3 | 0 | 112.6 | ||
| 299 | N | 98.4 | Very high | 95.8 | Very high | 34 Ų | 34 | 42.6 Ų | 42.6 | 18% | 0.182 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 144.8 | -177.4 | -48.4 | -53.6 | 0 | 0 | 0 | 109.9 | D331 T332 T333 S370 I435 | N299-D331 PolarHBondContact N-O 2.6Å; N299-T332 HydrophobicContact CB-CG2 3.86Å; N299-T332 WeakPolarHBondContact O-CA 3.42Å; N299-T333 PolarHBondContact O-N 3.43Å; N299-S370 WeakPolarHBondContact CA-OG 3.36Å; N299-I435 HydrophobicContact CB-CD1 4.45Å; N299-I435 HydrophobicContact CB-CG2 4.38Å |
| 300 | N | 98.7 | Very high | 95.6 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 125.7 | 177.5 | -61.2 | -76 | 0 | 0 | 0 | 109.8 | L294 T333 R368 L369 S370 V371 | L294-N300 WeakPolarHBondContact CA-OD1 3.37Å; L294-N300 HydrophobicContact CD2-CB 3.55Å; L294-N300 VanDerWaalsContact CD2-CG 3.45Å; L294-N300 PolarHBondContact O-ND2 2.86Å; L294-N300 VanDerWaalsContact O-ND2 3.15Å; N300-T333 CarbonylContact C-O 3.59Å; N300-T333 WeakPolarHBondContact CA-O 3.43Å; N300-T333 VanDerWaalsContact OD1-CB 3.31Å; N300-T333 WeakPolarHBondContact OD1-CB 3.34Å; N300-R368 PolarHBondContact ND2-O 3.2Å; N300-L369 HydrophobicContact CB-CD1 4.34Å; N300-S370 PolarHBondContact N-OG 3Å; N300-S370 WeakPolarHBondContact O-CA 3.28Å; N300-S370 VanDerWaalsContact O-CB 3.26Å; N300-S370 WeakPolarHBondContact O-CB 3.49Å; N300-S370 PolarHBondContact O-N 3.35Å; N300-S370 PolarHBondContact O-OG 3.35Å; N300-V371 PolarHBondContact O-N 3.33Å |
| 301 | V | 98.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 124.8 | 177.6 | 177.9 | 0 | 0 | 0 | 0 | 108.2 | I303 T332 T333 F334 I335 V371 V373 L431 I435 | V301-I303 HydrophobicContact CG1-CD1 4.44Å; V301-I303 HydrophobicContact CG1-CG1 3.93Å; V301-T332 HydrophobicContact CB-CG2 4.42Å; V301-T332 HydrophobicContact CG2-CG2 3.65Å; V301-T333 PolarHBondContact N-O 2.97Å; V301-F334 HydrophobicContact CB-CD1 3.68Å; V301-F334 HydrophobicContact CB-CE1 3.9Å; V301-F334 HydrophobicContact CG1-CD1 3.97Å; V301-F334 HydrophobicContact CG1-CE1 4.18Å; V301-F334 HydrophobicContact CG2-CD1 4.26Å; V301-F334 HydrophobicContact CG2-CE1 3.97Å; V301-F334 CarbonylContact O-C 3.55Å; V301-F334 WeakPolarHBondContact O-CA 2.97Å; V301-I335 PolarHBondContact O-N 3.43Å; V301-V371 WeakPolarHBondContact CA-O 3.43Å; V301-V373 HydrophobicContact CG1-CG2 3.75Å; V301-L431 HydrophobicContact CG1-CD2 4.17Å; V301-L431 HydrophobicContact CG2-CD2 4.44Å; V301-I435 HydrophobicContact CG2-CD1 4.06Å |
| 302 | F | 98.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 137 | 170.4 | 176.3 | -137.2 | 0 | 0 | 0 | 108.6 | I335 L358 Q360 L363 L369 V371 F372 V373 | F302-I335 CarbonylContact C-O 3.55Å; F302-I335 WeakPolarHBondContact CA-O 3.41Å; F302-I335 HydrophobicContact CD2-CB 4.25Å; F302-I335 HydrophobicContact CD2-CG2 4Å; F302-I335 WeakPolarHBondContact CD2-O 3.35Å; F302-I335 HydrophobicContact CE2-CG2 4.45Å; F302-L358 HydrophobicContact CD2-CD1 4.35Å; F302-L358 HydrophobicContact CE2-CB 4.27Å; F302-L358 HydrophobicContact CE2-CD1 3.55Å; F302-L358 HydrophobicContact CZ-CB 4.45Å; F302-L358 HydrophobicContact CZ-CD1 4.41Å; F302-Q360 HydrophobicContact CE1-CB 3.84Å; F302-Q360 HydrophobicContact CE1-CG 3.71Å; F302-Q360 HydrophobicContact CZ-CB 4.03Å; F302-Q360 HydrophobicContact CZ-CG 4.33Å; F302-L363 HydrophobicContact CD1-CD1 4.43Å; F302-L363 HydrophobicContact CD2-CD1 3.94Å; F302-L363 HydrophobicContact CE2-CD1 4.07Å; F302-L363 HydrophobicContact CG-CD1 4.17Å; F302-L363 HydrophobicContact CZ-CD1 4.34Å; F302-L369 HydrophobicContact CB-CD1 3.65Å; F302-L369 HydrophobicContact CB-CD2 4.21Å; F302-V371 PolarHBondContact N-O 3.14Å; F302-F372 HydrophobicContact CB-CD2 4.12Å; F302-F372 AromaticContact CD1-CD2 3.33Å; F302-F372 HydrophobicContact CD1-CD2 3.33Å; F302-F372 AromaticContact CD1-CE2 3.26Å; F302-F372 HydrophobicContact CD1-CE2 3.26Å; F302-F372 HydrophobicContact CD1-CG 4.1Å; F302-F372 AromaticContact CD1-CZ 3.95Å; F302-F372 HydrophobicContact CD1-CZ 3.95Å; F302-F372 AromaticContact CE1-CD2 3.89Å; F302-F372 HydrophobicContact CE1-CD2 3.89Å; F302-F372 HydrophobicContact CE1-CE1 4.47Å; F302-F372 AromaticContact CE1-CE2 3.29Å; F302-F372 HydrophobicContact CE1-CE2 3.29Å; F302-F372 AromaticContact CE1-CZ 3.63Å; F302-F372 HydrophobicContact CE1-CZ 3.63Å; F302-F372 AromaticContact CG-CD2 3.91Å; F302-F372 HydrophobicContact CG-CD2 3.91Å; F302-F372 HydrophobicContact CG-CE2 4.02Å; F302-F372 HydrophobicContact CZ-CE2 4.07Å; F302-F372 HydrophobicContact CZ-CZ 4.48Å; F302-F372 CarbonylContact O-C 3.4Å; F302-F372 WeakPolarHBondContact O-CA 3.32Å; F302-F372 WeakPolarHBondContact O-CD2 3.26Å; F302-V373 PolarHBondContact O-N 2.98Å |
| 303 | I | 98.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 121.2 | -179.3 | -51.2 | 178.8 | 0 | 0 | 0 | 108.3 | V301 F305 F326 F334 I335 W336 K337 V373 | V301-I303 HydrophobicContact CG1-CD1 4.44Å; V301-I303 HydrophobicContact CG1-CG1 3.93Å; I303-F305 HydrophobicContact CG2-CD2 4.23Å; I303-F305 HydrophobicContact CG2-CE2 3.56Å; I303-F305 HydrophobicContact CG2-CZ 4.24Å; I303-F326 HydrophobicContact CD1-CE1 3.64Å; I303-F326 HydrophobicContact CD1-CZ 3.59Å; I303-F334 HydrophobicContact CD1-CD1 4.17Å; I303-I335 PolarHBondContact N-O 3.3Å; I303-W336 HydrophobicContact CB-CB 4.24Å; I303-W336 HydrophobicContact CB-CG 4.03Å; I303-W336 VanDerWaalsContact CG2-CD1 3.49Å; I303-W336 HydrophobicContact CG2-CG 4.17Å; I303-K337 PolarHBondContact O-N 3Å; I303-V373 WeakPolarHBondContact CA-O 3.21Å; I303-V373 HydrophobicContact CB-CB 4.33Å; I303-V373 HydrophobicContact CG1-CB 4.03Å; I303-V373 HydrophobicContact CG1-CG2 4.15Å; I303-V373 HydrophobicContact CG2-CB 4.15Å; I303-V373 HydrophobicContact CG2-CG1 4.28Å |
| 304 | S | 97.9 | Very high | 95.1 | Very high | 5 Ų | 5 | 35.2 Ų | 35.2 | 4% | 0.035 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 121.3 | 175.2 | 177.2 | 0 | 0 | 0 | 0 | 111.9 | G306 V373 T374 | S304-G306 VanDerWaalsContact C-N 3.27Å; S304-G306 PolarHBondContact OG-N 3.16Å; S304-V373 PolarHBondContact N-O 3.17Å; S304-T374 VanDerWaalsContact O-CA 3.25Å; S304-T374 WeakPolarHBondContact O-CA 2.87Å; S304-T374 VanDerWaalsContact O-CB 3.3Å; S304-T374 WeakPolarHBondContact O-CB 3.17Å; S304-T374 PolarHBondContact O-OG1 3.21Å |
| 305 | F | 95.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | trans | -94.7 | 22.5 | 173.1 | -59.1 | -88.2 | 0 | 0 | 0 | 112.2 | W98 I303 A309 M314 V373 H375 I394 L396 | W98-F305 HydrophobicContact CH2-CB 3.96Å; W98-F305 AromaticContact CH2-CD1 3.45Å; W98-F305 HydrophobicContact CH2-CD1 3.45Å; W98-F305 VanDerWaalsContact CH2-CD1 3.45Å; W98-F305 AromaticContact CH2-CD2 3.65Å; W98-F305 HydrophobicContact CH2-CD2 3.65Å; W98-F305 AromaticContact CH2-CE1 3.71Å; W98-F305 HydrophobicContact CH2-CE1 3.71Å; W98-F305 AromaticContact CH2-CE2 3.9Å; W98-F305 HydrophobicContact CH2-CE2 3.9Å; W98-F305 AromaticContact CH2-CG 3.4Å; W98-F305 HydrophobicContact CH2-CG 3.4Å; W98-F305 VanDerWaalsContact CH2-CG 3.4Å; W98-F305 AromaticContact CH2-CZ 3.94Å; W98-F305 HydrophobicContact CH2-CZ 3.94Å; W98-F305 HydrophobicContact CZ2-CB 3.87Å; W98-F305 HydrophobicContact CZ2-CD1 4.23Å; W98-F305 HydrophobicContact CZ2-CD2 4.11Å; W98-F305 AromaticContact CZ2-CG 3.82Å; W98-F305 HydrophobicContact CZ2-CG 3.82Å; W98-F305 HydrophobicContact CZ3-CD1 4.22Å; W98-F305 HydrophobicContact CZ3-CE1 4.18Å; W98-F305 HydrophobicContact CZ3-CZ 4.47Å; I303-F305 HydrophobicContact CG2-CD2 4.23Å; I303-F305 HydrophobicContact CG2-CE2 3.56Å; I303-F305 HydrophobicContact CG2-CZ 4.24Å; F305-A309 HydrophobicContact CB-CB 4.14Å; F305-A309 WeakPolarHBondContact CB-O 3.28Å; F305-A309 WeakPolarHBondContact O-CB 3.45Å; F305-M314 HydrophobicContact CD2-CE 4.32Å; F305-M314 HydrophobicContact CE2-CE 3.77Å; F305-M314 HydrophobicContact CZ-CE 4.16Å; F305-V373 HydrophobicContact CZ-CG1 4.34Å; F305-H375 WeakPolarHBondContact CA-ND1 3.49Å; F305-H375 HydrophobicContact CD1-CB 4.02Å; F305-H375 PolarHBondContact O-CE1 2.8Å; F305-H375 PolarHBondContact O-ND1 3.37Å; F305-I394 HydrophobicContact CE1-CB 4.07Å; F305-I394 HydrophobicContact CE1-CD1 4.04Å; F305-I394 HydrophobicContact CE1-CG1 4.39Å; F305-I394 HydrophobicContact CZ-CD1 4.09Å; F305-L396 HydrophobicContact CD1-CD1 4.24Å | ||
| 306 | G | 90.6 | Very high | 94.8 | Very high | 15 Ų | 15 | 38.5 Ų | 38.5 | 16% | 0.155 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | -166.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S304 K337 H375 | S304-G306 VanDerWaalsContact C-N 3.27Å; S304-G306 PolarHBondContact OG-N 3.16Å; G306-K337 WeakPolarHBondContact O-CE 3.45Å; G306-K337 PolarHBondContact O-NZ 3.08Å; G306-H375 PolarHBondContact N-ND1 2.96Å |
| 307 | S | 82.5 | Confident | 94.7 | Very high | 52 Ų | 52 | 40 Ų | 40 | 36% | 0.364 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -25.2 | 178.8 | 55.1 | 0 | 0 | 0 | 0 | 113.3 | ||
| 308 | N | 85.4 | Confident | 94.7 | Very high | 57 Ų | 57 | 38.4 Ų | 38.4 | 31% | 0.305 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -41.9 | -169.7 | -64.5 | -3.6 | 0 | 0 | 0 | 112.3 | L94 K310 F397 | L94-N308 HydrophobicContact CD1-CB 4.22Å; N308-K310 PolarHBondContact O-N 3.16Å; N308-F397 HydrophobicContact CB-CZ 4.21Å |
| 309 | A | 91.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -90.9 | 92.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | W98 F305 L396 F397 | W98-A309 HydrophobicContact CZ2-CB 4.14Å; F305-A309 HydrophobicContact CB-CB 4.14Å; F305-A309 WeakPolarHBondContact CB-O 3.28Å; F305-A309 WeakPolarHBondContact O-CB 3.45Å; A309-L396 HydrophobicContact CB-CD1 3.44Å; A309-L396 VanDerWaalsContact CB-CD1 3.44Å; A309-F397 HydrophobicContact CB-CE1 4.19Å |
| 310 | K | 93.3 | Very high | 94.7 | Very high | 96 Ų | 96 | 32.7 Ų | 32.7 | 42% | 0.417 | 18% | 0.176 | S | C | . | . | trans | -68.7 | 139.1 | 177.7 | -63.6 | 179.3 | -178.2 | 174.9 | 0 | 110.1 | W98 N308 V312 D313 E339 | W98-K310 PolarHBondContact NE1-O 3.29Å; N308-K310 PolarHBondContact O-N 3.16Å; K310-V312 VanDerWaalsContact C-N 3.29Å; K310-V312 HydrophobicContact CB-CG2 3.95Å; K310-V312 HydrophobicContact CD-CG2 4.41Å; K310-D313 WeakPolarHBondContact CB-OD2 3.41Å; K310-D313 PolarHBondContact O-N 3.46Å; K310-E339 WeakPolarHBondContact CA-OE1 3.47Å; K310-E339 HydrophobicContact CB-CG 4.29Å; K310-E339 WeakPolarHBondContact CB-OE1 3.38Å; K310-E339 HydrophobicContact CD-CG 4.25Å; K310-E339 HydrophobicContact CG-CG 4.21Å | ||
| 311 | S | 95.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -75.6 | -22.6 | -179.9 | -65.1 | 0 | 0 | 0 | 0 | 111.9 | D313 M314 K319 W336 K337 Y338 E339 | S311-D313 PolarHBondContact O-N 2.88Å; S311-M314 WeakPolarHBondContact O-CB 3.17Å; S311-M314 PolarHBondContact O-N 3.19Å; S311-K319 WeakPolarHBondContact O-CE 3.36Å; S311-W336 PolarHBondContact OG-NE1 3.33Å; S311-W336 VanDerWaalsContact OG-NE1 3.08Å; S311-K337 PolarHBondContact OG-O 3.3Å; S311-Y338 WeakPolarHBondContact O-CE2 3.31Å; S311-E339 PolarHBondContact N-OE2 2.73Å |
| 312 | V | 94.4 | Very high | 94.7 | Very high | 38 Ų | 38 | 32.9 Ų | 32.9 | 23% | 0.23 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -63.6 | -26.9 | 171.9 | -66.1 | 0 | 0 | 0 | 0 | 113.7 | K310 M314 K319 Y338 E339 N340 | K310-V312 VanDerWaalsContact C-N 3.29Å; K310-V312 HydrophobicContact CB-CG2 3.95Å; K310-V312 HydrophobicContact CD-CG2 4.41Å; V312-M314 VanDerWaalsContact C-N 3.29Å; V312-K319 WeakPolarHBondContact O-CE 3.3Å; V312-K319 PolarHBondContact O-NZ 3.5Å; V312-Y338 HydrophobicContact CG1-CD1 3.95Å; V312-Y338 HydrophobicContact CG1-CE1 3.6Å; V312-E339 HydrophobicContact CG1-CB 3.68Å; V312-E339 HydrophobicContact CG2-CB 4.01Å; V312-E339 HydrophobicContact CG2-CG 4.29Å; V312-E339 PolarHBondContact N-OE2 3.48Å; V312-E339 VanDerWaalsContact N-OE2 3.1Å; V312-N340 HydrophobicContact CG1-CB 3.72Å; V312-N340 VanDerWaalsContact CG1-N 3.35Å |
| 313 | D | 94.4 | Very high | 94.6 | Very high | 58 Ų | 58 | 33.2 Ų | 33.2 | 31% | 0.31 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -84.2 | -7.6 | -179.1 | -61.2 | -30.8 | 0 | 0 | 0 | 112.6 | A95 K310 S311 | A95-D313 HydrophobicContact CB-CB 4.13Å; K310-D313 WeakPolarHBondContact CB-OD2 3.41Å; K310-D313 PolarHBondContact O-N 3.46Å; S311-D313 PolarHBondContact O-N 2.88Å |
| 314 | M | 94.9 | Very high | 94.6 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.02 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -59 | 139.7 | 176.3 | -174.4 | -171.5 | -76.3 | 0 | 0 | 110.7 | W98 F305 S311 V312 F318 K319 L322 W336 L421 | W98-M314 HydrophobicContact CD2-CB 4.29Å; W98-M314 HydrophobicContact CD2-CG 4.42Å; W98-M314 HydrophobicContact CE3-CE 4.42Å; W98-M314 HydrophobicContact CE3-CG 4.22Å; W98-M314 HydrophobicContact CH2-CE 3.35Å; W98-M314 HydrophobicContact CZ2-CB 4.47Å; W98-M314 HydrophobicContact CZ2-CE 4.01Å; W98-M314 HydrophobicContact CZ3-CE 3.61Å; W98-M314 HydrophobicContact CZ3-CG 4.3Å; F305-M314 HydrophobicContact CD2-CE 4.32Å; F305-M314 HydrophobicContact CE2-CE 3.77Å; F305-M314 HydrophobicContact CZ-CE 4.16Å; S311-M314 WeakPolarHBondContact O-CB 3.17Å; S311-M314 PolarHBondContact O-N 3.19Å; V312-M314 VanDerWaalsContact C-N 3.29Å; M314-F318 HydrophobicContact CG-CB 3.49Å; M314-F318 VanDerWaalsContact CG-CB 3.49Å; M314-F318 HydrophobicContact CG-CD2 3.78Å; M314-F318 HydrophobicContact CG-CG 4.11Å; M314-F318 HydrophobicContact SD-CB 3.41Å; M314-F318 WeakPolarHBondContact SD-CB 3.19Å; M314-F318 HydrophobicContact SD-CD2 4.47Å; M314-F318 HydrophobicContact SD-CG 4.47Å; M314-K319 HydrophobicContact CB-CG 4.12Å; M314-K319 HydrophobicContact CG-CG 4.14Å; M314-K319 WeakPolarHBondContact O-CE 3.32Å; M314-K319 PolarHBondContact O-NZ 3.22Å; M314-K319 HydrophobicContact SD-CG 3.84Å; M314-L322 HydrophobicContact CE-CD1 3.97Å; M314-L322 HydrophobicContact SD-CD1 3.95Å; M314-W336 HydrophobicContact CE-CZ2 4.06Å; M314-W336 HydrophobicContact SD-CZ2 4.26Å; M314-L421 HydrophobicContact CE-CD1 4.42Å |
| 315 | P | 95.1 | Very high | 94.7 | Very high | 25 Ų | 25 | 37 Ų | 37 | 16% | 0.162 | 20% | 0.2 | C | C | . | . | trans | -54 | 142.5 | 171.3 | -27.3 | 34.2 | 0 | 0 | 0 | 112.1 | W98 K99 E317 F318 K319 | W98-P315 HydrophobicContact CB-CG 4.48Å; K99-P315 HydrophobicContact CG-CG 3.83Å; P315-E317 PolarHBondContact O-N 3.22Å; P315-E317 VanDerWaalsContact O-N 3.16Å; P315-F318 HydrophobicContact CB-CG 4.44Å; P315-F318 HydrophobicContact CG-CD2 4.13Å; P315-F318 HydrophobicContact CG-CE2 4.08Å; P315-F318 HydrophobicContact CG-CZ 4.45Å; P315-F318 PolarHBondContact O-N 3.28Å; P315-K319 PolarHBondContact O-N 2.75Å; P315-K319 VanDerWaalsContact O-N 3.15Å | ||
| 316 | D | 94.7 | Very high | 94.8 | Very high | 99 Ų | 99 | 36.9 Ų | 36.9 | 53% | 0.529 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.3 | -29.9 | 179.3 | -67.8 | -15.7 | 0 | 0 | 0 | 112 | F318 K319 N320 | D316-F318 VanDerWaalsContact C-N 3.35Å; D316-F318 PolarHBondContact O-N 2.91Å; D316-K319 PolarHBondContact O-N 3.46Å; D316-K319 IonicContact OD1-NZ 3.17Å; D316-N320 VanDerWaalsContact O-CB 3.24Å; D316-N320 WeakPolarHBondContact O-CB 3.46Å; D316-N320 PolarHBondContact O-N 3.27Å; D316-N320 PolarHBondContact O-ND2 3.32Å |
| 317 | E | 96.4 | Very high | 95.1 | Very high | 127 Ų | 127 | 43.4 Ų | 43.4 | 59% | 0.593 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -55.3 | -47 | 172.3 | -175.4 | 178.6 | -169.4 | 0 | 0 | 112.3 | P315 S321 A422 | P315-E317 PolarHBondContact O-N 3.22Å; P315-E317 VanDerWaalsContact O-N 3.16Å; E317-S321 WeakPolarHBondContact O-CB 3.12Å; E317-S321 PolarHBondContact O-N 2.94Å; E317-A422 HydrophobicContact CG-CB 3.64Å; E317-A422 VanDerWaalsContact OE1-CB 3.3Å; E317-A422 WeakPolarHBondContact OE1-CB 3.22Å |
| 318 | F | 97.3 | Very high | 95.9 | Very high | 9 Ų | 9 | 43.1 Ų | 43.1 | 4% | 0.039 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -71.8 | -39 | 179.3 | -60.9 | -4.6 | 0 | 0 | 0 | 110.9 | W98 M314 P315 D316 S321 L322 L421 A422 | W98-F318 HydrophobicContact CE3-CD2 4.22Å; W98-F318 HydrophobicContact CE3-CE2 4.35Å; M314-F318 HydrophobicContact CG-CB 3.49Å; M314-F318 VanDerWaalsContact CG-CB 3.49Å; M314-F318 HydrophobicContact CG-CD2 3.78Å; M314-F318 HydrophobicContact CG-CG 4.11Å; M314-F318 HydrophobicContact SD-CB 3.41Å; M314-F318 WeakPolarHBondContact SD-CB 3.19Å; M314-F318 HydrophobicContact SD-CD2 4.47Å; M314-F318 HydrophobicContact SD-CG 4.47Å; P315-F318 HydrophobicContact CB-CG 4.44Å; P315-F318 HydrophobicContact CG-CD2 4.13Å; P315-F318 HydrophobicContact CG-CE2 4.08Å; P315-F318 HydrophobicContact CG-CZ 4.45Å; P315-F318 PolarHBondContact O-N 3.28Å; D316-F318 VanDerWaalsContact C-N 3.35Å; D316-F318 PolarHBondContact O-N 2.91Å; F318-S321 PolarHBondContact O-N 3.41Å; F318-L322 WeakPolarHBondContact O-CB 3.43Å; F318-L322 WeakPolarHBondContact O-CG 3.42Å; F318-L322 PolarHBondContact O-N 3.14Å; F318-L421 HydrophobicContact CB-CB 3.97Å; F318-L421 HydrophobicContact CD1-CB 3.91Å; F318-L421 HydrophobicContact CD2-CB 3.92Å; F318-L421 HydrophobicContact CD2-CD1 3.83Å; F318-L421 HydrophobicContact CE1-CB 4.4Å; F318-L421 HydrophobicContact CE2-CB 4.42Å; F318-L421 HydrophobicContact CE2-CD1 4.31Å; F318-L421 HydrophobicContact CG-CB 3.66Å; F318-L421 HydrophobicContact CG-CD1 4.34Å; F318-A422 HydrophobicContact CD1-CB 3.85Å; F318-A422 HydrophobicContact CE1-CB 3.9Å |
| 319 | K | 97.2 | Very high | 96.5 | Very high | 15 Ų | 15 | 41 Ų | 41 | 7% | 0.065 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.2 | -43.3 | 176.5 | -64.7 | 177.1 | -176 | 159.6 | 0 | 111.8 | S311 V312 M314 P315 D316 L322 A323 W336 Y338 I345 | S311-K319 WeakPolarHBondContact O-CE 3.36Å; V312-K319 WeakPolarHBondContact O-CE 3.3Å; V312-K319 PolarHBondContact O-NZ 3.5Å; M314-K319 HydrophobicContact CB-CG 4.12Å; M314-K319 HydrophobicContact CG-CG 4.14Å; M314-K319 WeakPolarHBondContact O-CE 3.32Å; M314-K319 PolarHBondContact O-NZ 3.22Å; M314-K319 HydrophobicContact SD-CG 3.84Å; P315-K319 PolarHBondContact O-N 2.75Å; P315-K319 VanDerWaalsContact O-N 3.15Å; D316-K319 PolarHBondContact O-N 3.46Å; D316-K319 IonicContact OD1-NZ 3.17Å; K319-L322 PolarHBondContact O-N 3.29Å; K319-A323 WeakPolarHBondContact O-CB 3.45Å; K319-A323 PolarHBondContact O-N 3.07Å; K319-W336 HydrophobicContact CG-CH2 4.36Å; K319-Y338 WeakPolarHBondContact CD-OH 3.48Å; K319-Y338 WeakPolarHBondContact CE-OH 3.47Å; K319-Y338 PolarHBondContact NZ-OH 3.18Å; K319-I345 HydrophobicContact CB-CD1 3.91Å; K319-I345 HydrophobicContact CB-CG2 4.29Å; K319-I345 HydrophobicContact CD-CD1 3.85Å |
| 320 | N | 97.8 | Very high | 96.7 | Very high | 78 Ų | 78 | 44.9 Ų | 44.9 | 42% | 0.417 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66.7 | -43.6 | 178.1 | -72.8 | -37.8 | 0 | 0 | 0 | 111.2 | D316 L322 A323 D324 | D316-N320 VanDerWaalsContact O-CB 3.24Å; D316-N320 WeakPolarHBondContact O-CB 3.46Å; D316-N320 PolarHBondContact O-N 3.27Å; D316-N320 PolarHBondContact O-ND2 3.32Å; N320-L322 PolarHBondContact O-N 2.97Å; N320-A323 WeakPolarHBondContact O-CB 3.35Å; N320-A323 PolarHBondContact O-N 3.42Å; N320-D324 PolarHBondContact O-N 3.43Å |
| 321 | S | 98.2 | Very high | 96.9 | Very high | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.028 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.7 | -47 | 173.2 | 166.5 | 0 | 0 | 0 | 0 | 111.8 | E317 F318 A323 D324 V325 L421 T424 | E317-S321 WeakPolarHBondContact O-CB 3.12Å; E317-S321 PolarHBondContact O-N 2.94Å; F318-S321 PolarHBondContact O-N 3.41Å; S321-A323 PolarHBondContact O-N 3.48Å; S321-D324 PolarHBondContact O-N 3.08Å; S321-V325 WeakPolarHBondContact O-CG2 3.47Å; S321-V325 PolarHBondContact O-N 3.37Å; S321-L421 WeakPolarHBondContact CB-O 3.28Å; S321-L421 PolarHBondContact OG-O 3.18Å; S321-T424 WeakPolarHBondContact CA-OG1 3.47Å; S321-T424 WeakPolarHBondContact OG-CA 3.48Å; S321-T424 PolarHBondContact OG-N 2.88Å; S321-T424 PolarHBondContact OG-OG1 3.15Å |
| 322 | L | 98.2 | Very high | 97.1 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.1 | -42.8 | 174.8 | -73.8 | 176.2 | 0 | 0 | 0 | 112.1 | M314 F318 K319 N320 D324 V325 F326 W336 L421 M427 | M314-L322 HydrophobicContact CE-CD1 3.97Å; M314-L322 HydrophobicContact SD-CD1 3.95Å; F318-L322 WeakPolarHBondContact O-CB 3.43Å; F318-L322 WeakPolarHBondContact O-CG 3.42Å; F318-L322 PolarHBondContact O-N 3.14Å; K319-L322 PolarHBondContact O-N 3.29Å; N320-L322 PolarHBondContact O-N 2.97Å; L322-D324 VanDerWaalsContact C-N 3.33Å; L322-D324 PolarHBondContact O-N 3.11Å; L322-V325 WeakPolarHBondContact O-CB 3.26Å; L322-V325 PolarHBondContact O-N 3.26Å; L322-F326 HydrophobicContact CB-CE1 4.31Å; L322-F326 HydrophobicContact CB-CE2 3.99Å; L322-F326 HydrophobicContact CB-CZ 3.75Å; L322-F326 HydrophobicContact CD2-CE1 4.39Å; L322-F326 HydrophobicContact CD2-CZ 4.33Å; L322-F326 HydrophobicContact CG-CZ 4.46Å; L322-F326 WeakPolarHBondContact O-CD1 3.42Å; L322-F326 WeakPolarHBondContact O-CD2 3.34Å; L322-F326 WeakPolarHBondContact O-CG 3.39Å; L322-F326 PolarHBondContact O-N 2.84Å; L322-W336 HydrophobicContact CD1-CH2 3.91Å; L322-W336 HydrophobicContact CD1-CZ2 3.84Å; L322-L421 HydrophobicContact CD2-CD2 4.27Å; L322-M427 HydrophobicContact CD2-CE 4.41Å |
| 323 | A | 98.2 | Very high | 97.3 | Very high | 9 Ų | 9 | 44.3 Ų | 44.3 | 7% | 0.074 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.9 | -41.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K319 N320 S321 F326 K327 I345 V346 L349 | K319-A323 WeakPolarHBondContact O-CB 3.45Å; K319-A323 PolarHBondContact O-N 3.07Å; N320-A323 WeakPolarHBondContact O-CB 3.35Å; N320-A323 PolarHBondContact O-N 3.42Å; S321-A323 PolarHBondContact O-N 3.48Å; A323-F326 PolarHBondContact O-N 3.49Å; A323-K327 WeakPolarHBondContact O-CB 3.27Å; A323-K327 PolarHBondContact O-N 2.82Å; A323-I345 HydrophobicContact CB-CG2 3.79Å; A323-V346 HydrophobicContact CB-CG1 3.88Å; A323-L349 HydrophobicContact CB-CD1 4.45Å |
| 324 | D | 98.4 | Very high | 97.5 | Very high | 85 Ų | 85 | 41.6 Ų | 41.6 | 46% | 0.455 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.2 | -40.5 | 175.6 | -74.6 | -25.9 | 0 | 0 | 0 | 111.9 | N320 S321 L322 F326 K327 S328 T424 | N320-D324 PolarHBondContact O-N 3.43Å; S321-D324 PolarHBondContact O-N 3.08Å; L322-D324 VanDerWaalsContact C-N 3.33Å; L322-D324 PolarHBondContact O-N 3.11Å; D324-F326 VanDerWaalsContact C-N 3.35Å; D324-F326 PolarHBondContact O-N 2.88Å; D324-K327 PolarHBondContact O-N 3.28Å; D324-S328 WeakPolarHBondContact O-CB 3.17Å; D324-S328 PolarHBondContact O-N 2.94Å; D324-T424 HydrophobicContact CB-CG2 3.51Å |
| 325 | V | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.5 | -49.7 | 171.9 | 171 | 0 | 0 | 0 | 0 | 110 | S321 L322 K327 S328 M329 T424 M427 K428 L431 | S321-V325 WeakPolarHBondContact O-CG2 3.47Å; S321-V325 PolarHBondContact O-N 3.37Å; L322-V325 WeakPolarHBondContact O-CB 3.26Å; L322-V325 PolarHBondContact O-N 3.26Å; V325-K327 PolarHBondContact O-N 2.87Å; V325-S328 PolarHBondContact O-N 3.22Å; V325-S328 VanDerWaalsContact O-N 3.09Å; V325-S328 PolarHBondContact O-OG 3.49Å; V325-M329 HydrophobicContact CG1-SD 3.85Å; V325-M329 WeakPolarHBondContact O-CG 3.33Å; V325-M329 PolarHBondContact O-N 3.38Å; V325-T424 HydrophobicContact CG2-CG2 3.97Å; V325-T424 WeakPolarHBondContact CG2-O 3.38Å; V325-M427 HydrophobicContact CG2-CB 3.77Å; V325-K428 HydrophobicContact CG2-CB 4.34Å; V325-L431 HydrophobicContact CG1-CD1 3.83Å |
| 326 | F | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.3 | -46.7 | -179.1 | -55.8 | -23.7 | 0 | 0 | 0 | 111.6 | I303 L322 A323 D324 S328 M329 F334 W336 V346 L349 N351 V352 | I303-F326 HydrophobicContact CD1-CE1 3.64Å; I303-F326 HydrophobicContact CD1-CZ 3.59Å; L322-F326 HydrophobicContact CB-CE1 4.31Å; L322-F326 HydrophobicContact CB-CE2 3.99Å; L322-F326 HydrophobicContact CB-CZ 3.75Å; L322-F326 HydrophobicContact CD2-CE1 4.39Å; L322-F326 HydrophobicContact CD2-CZ 4.33Å; L322-F326 HydrophobicContact CG-CZ 4.46Å; L322-F326 WeakPolarHBondContact O-CD1 3.42Å; L322-F326 WeakPolarHBondContact O-CD2 3.34Å; L322-F326 WeakPolarHBondContact O-CG 3.39Å; L322-F326 PolarHBondContact O-N 2.84Å; A323-F326 PolarHBondContact O-N 3.49Å; D324-F326 VanDerWaalsContact C-N 3.35Å; D324-F326 PolarHBondContact O-N 2.88Å; F326-S328 VanDerWaalsContact C-N 3.25Å; F326-S328 PolarHBondContact O-N 3.29Å; F326-M329 PolarHBondContact O-N 2.81Å; F326-F334 HydrophobicContact CB-CD2 3.98Å; F326-F334 HydrophobicContact CB-CE2 4.08Å; F326-F334 HydrophobicContact CD1-CB 4.11Å; F326-F334 AromaticContact CD1-CD1 3.38Å; F326-F334 HydrophobicContact CD1-CD1 3.38Å; F326-F334 AromaticContact CD1-CD2 3.53Å; F326-F334 HydrophobicContact CD1-CD2 3.53Å; F326-F334 AromaticContact CD1-CE1 3.53Å; F326-F334 HydrophobicContact CD1-CE1 3.53Å; F326-F334 AromaticContact CD1-CE2 3.69Å; F326-F334 HydrophobicContact CD1-CE2 3.69Å; F326-F334 AromaticContact CD1-CG 3.37Å; F326-F334 HydrophobicContact CD1-CG 3.37Å; F326-F334 AromaticContact CD1-CZ 3.68Å; F326-F334 HydrophobicContact CD1-CZ 3.68Å; F326-F334 HydrophobicContact CE1-CB 4.14Å; F326-F334 AromaticContact CE1-CD1 3.36Å; F326-F334 HydrophobicContact CE1-CD1 3.36Å; F326-F334 HydrophobicContact CE1-CD2 4.3Å; F326-F334 AromaticContact CE1-CE1 3.75Å; F326-F334 HydrophobicContact CE1-CE1 3.75Å; F326-F334 AromaticContact CE1-CG 3.67Å; F326-F334 HydrophobicContact CE1-CG 3.67Å; F326-F334 HydrophobicContact CE1-CZ 4.36Å; F326-F334 HydrophobicContact CG-CD1 4.45Å; F326-F334 AromaticContact CG-CD2 3.92Å; F326-F334 HydrophobicContact CG-CD2 3.92Å; F326-F334 HydrophobicContact CG-CE2 4.24Å; F326-F334 HydrophobicContact CG-CG 4.03Å; F326-F334 HydrophobicContact CZ-CD1 4.41Å; F326-W336 AromaticContact CE2-CE3 3.82Å; F326-W336 HydrophobicContact CE2-CE3 3.82Å; F326-W336 AromaticContact CE2-CZ3 3.96Å; F326-W336 HydrophobicContact CE2-CZ3 3.96Å; F326-W336 HydrophobicContact CZ-CE3 4.14Å; F326-W336 HydrophobicContact CZ-CZ3 4.44Å; F326-V346 HydrophobicContact CD2-CG1 4.21Å; F326-V346 HydrophobicContact CE2-CG1 4.24Å; F326-L349 HydrophobicContact CB-CD1 4.01Å; F326-L349 HydrophobicContact CD2-CD1 4.38Å; F326-N351 PolarHBondContact O-ND2 3.48Å; F326-V352 HydrophobicContact CB-CG2 3.75Å; F326-V352 HydrophobicContact CD2-CG1 4.37Å; F326-V352 HydrophobicContact CD2-CG2 3.44Å; F326-V352 VanDerWaalsContact CD2-CG2 3.44Å; F326-V352 HydrophobicContact CE2-CG1 4.4Å; F326-V352 HydrophobicContact CE2-CG2 4.24Å; F326-V352 HydrophobicContact CG-CG2 3.76Å |
| 327 | K | 97.9 | Very high | 97.9 | Very high | 152 Ų | 152 | 36.4 Ų | 36.4 | 66% | 0.661 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -60.9 | -34.7 | 176.4 | -173.8 | 178.7 | -178.5 | 178.9 | 0 | 112.5 | A323 D324 V325 M329 L349 | A323-K327 WeakPolarHBondContact O-CB 3.27Å; A323-K327 PolarHBondContact O-N 2.82Å; D324-K327 PolarHBondContact O-N 3.28Å; V325-K327 PolarHBondContact O-N 2.87Å; K327-M329 VanDerWaalsContact C-N 3.28Å; K327-M329 PolarHBondContact O-N 3.47Å; K327-L349 HydrophobicContact CB-CD2 4.4Å |
| 328 | S | 98.1 | Very high | 97.9 | Very high | 46 Ų | 46 | 30.5 Ų | 30.5 | 32% | 0.322 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -4.5 | -179.3 | 85.4 | 0 | 0 | 0 | 0 | 114.5 | D324 V325 F326 P330 K428 | D324-S328 WeakPolarHBondContact O-CB 3.17Å; D324-S328 PolarHBondContact O-N 2.94Å; V325-S328 PolarHBondContact O-N 3.22Å; V325-S328 VanDerWaalsContact O-N 3.09Å; V325-S328 PolarHBondContact O-OG 3.49Å; F326-S328 VanDerWaalsContact C-N 3.25Å; F326-S328 PolarHBondContact O-N 3.29Å; S328-P330 VanDerWaalsContact C-CD 3.46Å; S328-K428 PolarHBondContact O-NZ 2.86Å; S328-K428 WeakPolarHBondContact OG-CD 3.43Å; S328-K428 PolarHBondContact OG-NZ 2.79Å |
| 329 | M | 98 | Very high | 97.7 | Very high | 12 Ų | 12 | 32.1 Ų | 32.1 | 6% | 0.059 | 17% | 0.171 | C | C | . | . | trans | -126.5 | 61.8 | -177.3 | -63.4 | -178.3 | 73.1 | 0 | 0 | 111.8 | V325 F326 K327 D331 T332 F334 N351 K428 L431 E432 I435 | V325-M329 HydrophobicContact CG1-SD 3.85Å; V325-M329 WeakPolarHBondContact O-CG 3.33Å; V325-M329 PolarHBondContact O-N 3.38Å; F326-M329 PolarHBondContact O-N 2.81Å; K327-M329 VanDerWaalsContact C-N 3.28Å; K327-M329 PolarHBondContact O-N 3.47Å; M329-D331 PolarHBondContact O-N 3Å; M329-D331 VanDerWaalsContact O-N 3.14Å; M329-T332 HydrophobicContact CE-CG2 4.46Å; M329-T332 WeakPolarHBondContact O-CB 3.21Å; M329-T332 PolarHBondContact O-N 3.31Å; M329-F334 HydrophobicContact CB-CE2 4.06Å; M329-F334 HydrophobicContact CB-CZ 4Å; M329-F334 HydrophobicContact CE-CZ 4.48Å; M329-F334 HydrophobicContact SD-CZ 3.89Å; M329-N351 PolarHBondContact O-ND2 2.92Å; M329-K428 HydrophobicContact CG-CG 4.38Å; M329-K428 HydrophobicContact SD-CG 4.21Å; M329-L431 HydrophobicContact CE-CB 4.4Å; M329-L431 HydrophobicContact SD-CD1 4.46Å; M329-E432 HydrophobicContact CE-CG 4.04Å; M329-I435 HydrophobicContact CE-CD1 4.06Å | ||
| 330 | P | 96.6 | Very high | 97.6 | Very high | 83 Ų | 83 | 34.7 Ų | 34.7 | 54% | 0.539 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -22.7 | -173.2 | 26.7 | -36.3 | 0 | 0 | 0 | 114.4 | R297 S328 T332 | R297-P330 WeakPolarHBondContact CD-O 3.03Å; R297-P330 PolarHBondContact NE-O 3.27Å; S328-P330 VanDerWaalsContact C-CD 3.46Å; P330-T332 VanDerWaalsContact C-N 3.25Å; P330-T332 PolarHBondContact O-N 3.48Å |
| 331 | D | 97.2 | Very high | 97.2 | Very high | 118 Ų | 118 | 34.7 Ų | 34.7 | 63% | 0.631 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 7.6 | 175.6 | -62.3 | -38.3 | 0 | 0 | 0 | 113.5 | R297 N299 M329 | R297-D331 WeakPolarHBondContact CB-O 3.1Å; N299-D331 PolarHBondContact N-O 2.6Å; M329-D331 PolarHBondContact O-N 3Å; M329-D331 VanDerWaalsContact O-N 3.14Å |
| 332 | T | 98.6 | Very high | 96.8 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 3% | 0.025 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 128.8 | -179.6 | -50.4 | 0 | 0 | 0 | 0 | 110.5 | N299 V301 M329 P330 F334 N351 | N299-T332 HydrophobicContact CB-CG2 3.86Å; N299-T332 WeakPolarHBondContact O-CA 3.42Å; V301-T332 HydrophobicContact CB-CG2 4.42Å; V301-T332 HydrophobicContact CG2-CG2 3.65Å; M329-T332 HydrophobicContact CE-CG2 4.46Å; M329-T332 WeakPolarHBondContact O-CB 3.21Å; M329-T332 PolarHBondContact O-N 3.31Å; P330-T332 VanDerWaalsContact C-N 3.25Å; P330-T332 PolarHBondContact O-N 3.48Å; T332-F334 HydrophobicContact CG2-CD2 4.47Å; T332-F334 HydrophobicContact CG2-CE1 4.13Å; T332-F334 HydrophobicContact CG2-CE2 3.91Å; T332-F334 HydrophobicContact CG2-CZ 3.73Å; T332-N351 WeakPolarHBondContact O-CB 3.33Å; T332-N351 PolarHBondContact O-ND2 3.26Å; T332-N351 VanDerWaalsContact O-ND2 3.12Å |
| 333 | T | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 132.3 | 170.4 | -62.2 | 0 | 0 | 0 | 0 | 109.5 | I293 R297 N299 N300 V301 I335 | I293-T333 HydrophobicContact CG2-CG2 3.58Å; R297-T333 WeakPolarHBondContact CB-OG1 3.35Å; R297-T333 WeakPolarHBondContact CD-OG1 2.94Å; R297-T333 WeakPolarHBondContact CG-OG1 3.49Å; N299-T333 PolarHBondContact O-N 3.43Å; N300-T333 CarbonylContact C-O 3.59Å; N300-T333 WeakPolarHBondContact CA-O 3.43Å; N300-T333 VanDerWaalsContact OD1-CB 3.31Å; N300-T333 WeakPolarHBondContact OD1-CB 3.34Å; V301-T333 PolarHBondContact N-O 2.97Å; T333-I335 HydrophobicContact CG2-CG1 4.38Å |
| 334 | F | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 116.6 | 175.3 | -62.9 | -87.1 | 0 | 0 | 0 | 109.7 | V301 I303 F326 M329 T332 N351 V352 H353 L431 | V301-F334 HydrophobicContact CB-CD1 3.68Å; V301-F334 HydrophobicContact CB-CE1 3.9Å; V301-F334 HydrophobicContact CG1-CD1 3.97Å; V301-F334 HydrophobicContact CG1-CE1 4.18Å; V301-F334 HydrophobicContact CG2-CD1 4.26Å; V301-F334 HydrophobicContact CG2-CE1 3.97Å; V301-F334 CarbonylContact O-C 3.55Å; V301-F334 WeakPolarHBondContact O-CA 2.97Å; I303-F334 HydrophobicContact CD1-CD1 4.17Å; F326-F334 HydrophobicContact CB-CD2 3.98Å; F326-F334 HydrophobicContact CB-CE2 4.08Å; F326-F334 HydrophobicContact CD1-CB 4.11Å; F326-F334 AromaticContact CD1-CD1 3.38Å; F326-F334 HydrophobicContact CD1-CD1 3.38Å; F326-F334 AromaticContact CD1-CD2 3.53Å; F326-F334 HydrophobicContact CD1-CD2 3.53Å; F326-F334 AromaticContact CD1-CE1 3.53Å; F326-F334 HydrophobicContact CD1-CE1 3.53Å; F326-F334 AromaticContact CD1-CE2 3.69Å; F326-F334 HydrophobicContact CD1-CE2 3.69Å; F326-F334 AromaticContact CD1-CG 3.37Å; F326-F334 HydrophobicContact CD1-CG 3.37Å; F326-F334 AromaticContact CD1-CZ 3.68Å; F326-F334 HydrophobicContact CD1-CZ 3.68Å; F326-F334 HydrophobicContact CE1-CB 4.14Å; F326-F334 AromaticContact CE1-CD1 3.36Å; F326-F334 HydrophobicContact CE1-CD1 3.36Å; F326-F334 HydrophobicContact CE1-CD2 4.3Å; F326-F334 AromaticContact CE1-CE1 3.75Å; F326-F334 HydrophobicContact CE1-CE1 3.75Å; F326-F334 AromaticContact CE1-CG 3.67Å; F326-F334 HydrophobicContact CE1-CG 3.67Å; F326-F334 HydrophobicContact CE1-CZ 4.36Å; F326-F334 HydrophobicContact CG-CD1 4.45Å; F326-F334 AromaticContact CG-CD2 3.92Å; F326-F334 HydrophobicContact CG-CD2 3.92Å; F326-F334 HydrophobicContact CG-CE2 4.24Å; F326-F334 HydrophobicContact CG-CG 4.03Å; F326-F334 HydrophobicContact CZ-CD1 4.41Å; M329-F334 HydrophobicContact CB-CE2 4.06Å; M329-F334 HydrophobicContact CB-CZ 4Å; M329-F334 HydrophobicContact CE-CZ 4.48Å; M329-F334 HydrophobicContact SD-CZ 3.89Å; T332-F334 HydrophobicContact CG2-CD2 4.47Å; T332-F334 HydrophobicContact CG2-CE1 4.13Å; T332-F334 HydrophobicContact CG2-CE2 3.91Å; T332-F334 HydrophobicContact CG2-CZ 3.73Å; F334-N351 PolarHBondContact N-O 2.68Å; F334-V352 HydrophobicContact CB-CG2 4.4Å; F334-V352 CarbonylContact O-C 3.58Å; F334-V352 WeakPolarHBondContact O-CA 3.29Å; F334-H353 PolarHBondContact O-N 2.82Å; F334-L431 HydrophobicContact CE1-CD1 4.21Å |
| 335 | I | 98.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 114.8 | 170.7 | -61.1 | 173.2 | 0 | 0 | 0 | 106.6 | W290 I293 L294 V301 F302 I303 T333 H353 L358 L363 | W290-I335 HydrophobicContact CE3-CD1 3.99Å; W290-I335 HydrophobicContact CE3-CG1 4.33Å; W290-I335 HydrophobicContact CE3-CG2 4.13Å; W290-I335 HydrophobicContact CH2-CG2 4.39Å; W290-I335 HydrophobicContact CZ3-CD1 4.46Å; W290-I335 HydrophobicContact CZ3-CG1 4.31Å; W290-I335 HydrophobicContact CZ3-CG2 3.76Å; I293-I335 HydrophobicContact CG2-CD1 4.04Å; I293-I335 HydrophobicContact CG2-CG1 4.08Å; L294-I335 HydrophobicContact CD2-CD1 3.76Å; L294-I335 HydrophobicContact CG-CD1 4.41Å; V301-I335 PolarHBondContact O-N 3.43Å; F302-I335 CarbonylContact C-O 3.55Å; F302-I335 WeakPolarHBondContact CA-O 3.41Å; F302-I335 HydrophobicContact CD2-CB 4.25Å; F302-I335 HydrophobicContact CD2-CG2 4Å; F302-I335 WeakPolarHBondContact CD2-O 3.35Å; F302-I335 HydrophobicContact CE2-CG2 4.45Å; I303-I335 PolarHBondContact N-O 3.3Å; T333-I335 HydrophobicContact CG2-CG1 4.38Å; I335-H353 WeakPolarHBondContact CA-O 3.38Å; I335-L358 HydrophobicContact CG2-CD1 3.73Å; I335-L358 HydrophobicContact CG2-CD2 4.25Å; I335-L363 HydrophobicContact CD1-CD2 3.81Å; I335-L363 HydrophobicContact CG2-CD1 4.24Å |
| 336 | W | 98 | Very high | 95.7 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 119.8 | -173.9 | -172.3 | 10.1 | 0 | 0 | 0 | 111.2 | I303 S311 M314 K319 L322 F326 Y338 V346 H353 L354 G355 | I303-W336 HydrophobicContact CB-CB 4.24Å; I303-W336 HydrophobicContact CB-CG 4.03Å; I303-W336 VanDerWaalsContact CG2-CD1 3.49Å; I303-W336 HydrophobicContact CG2-CG 4.17Å; S311-W336 PolarHBondContact OG-NE1 3.33Å; S311-W336 VanDerWaalsContact OG-NE1 3.08Å; M314-W336 HydrophobicContact CE-CZ2 4.06Å; M314-W336 HydrophobicContact SD-CZ2 4.26Å; K319-W336 HydrophobicContact CG-CH2 4.36Å; L322-W336 HydrophobicContact CD1-CH2 3.91Å; L322-W336 HydrophobicContact CD1-CZ2 3.84Å; F326-W336 AromaticContact CE2-CE3 3.82Å; F326-W336 HydrophobicContact CE2-CE3 3.82Å; F326-W336 AromaticContact CE2-CZ3 3.96Å; F326-W336 HydrophobicContact CE2-CZ3 3.96Å; F326-W336 HydrophobicContact CZ-CE3 4.14Å; F326-W336 HydrophobicContact CZ-CZ3 4.44Å; W336-Y338 AromaticContact CD2-CD2 3.8Å; W336-Y338 HydrophobicContact CD2-CD2 3.8Å; W336-Y338 AromaticContact CE2-CD2 3.52Å; W336-Y338 HydrophobicContact CE3-CD2 4Å; W336-Y338 HydrophobicContact CE3-CE2 4.48Å; W336-Y338 HydrophobicContact CG-CD2 4.49Å; W336-Y338 AromaticContact CH2-CD2 3.77Å; W336-Y338 HydrophobicContact CH2-CD2 3.77Å; W336-Y338 AromaticContact CH2-CE2 3.54Å; W336-Y338 HydrophobicContact CH2-CE2 3.54Å; W336-Y338 AromaticContact CZ2-CD2 3.53Å; W336-Y338 HydrophobicContact CZ2-CD2 3.53Å; W336-Y338 AromaticContact CZ2-CE2 3.6Å; W336-Y338 HydrophobicContact CZ2-CE2 3.6Å; W336-Y338 AromaticContact CZ3-CD2 3.99Å; W336-Y338 HydrophobicContact CZ3-CD2 3.99Å; W336-Y338 AromaticContact CZ3-CE2 4Å; W336-Y338 HydrophobicContact CZ3-CE2 4Å; W336-Y338 AromaticContact NE1-CD2 4Å; W336-Y338 PolarHBondContact O-N 2.93Å; W336-Y338 VanDerWaalsContact O-N 3.11Å; W336-V346 HydrophobicContact CZ3-CG1 4.09Å; W336-V346 HydrophobicContact CZ3-CG2 4.48Å; W336-H353 PolarHBondContact N-O 3.01Å; W336-L354 HydrophobicContact CB-CD2 3.93Å; W336-L354 HydrophobicContact CD2-CD2 4.42Å; W336-L354 HydrophobicContact CE3-CD2 4.01Å; W336-L354 HydrophobicContact CG-CD2 4.43Å; W336-L354 WeakPolarHBondContact O-CA 3.29Å; W336-G355 PolarHBondContact O-N 3.29Å |
| 337 | K | 97.2 | Very high | 95.2 | Very high | 18 Ų | 18 | 45 Ų | 45 | 8% | 0.078 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 108.2 | 169.3 | -169.1 | -97.4 | 176.9 | 177.6 | 0 | 108.7 | I303 G306 S311 E339 G355 D356 L358 | I303-K337 PolarHBondContact O-N 3Å; G306-K337 WeakPolarHBondContact O-CE 3.45Å; G306-K337 PolarHBondContact O-NZ 3.08Å; S311-K337 PolarHBondContact OG-O 3.3Å; K337-E339 WeakPolarHBondContact CE-OE1 3.42Å; K337-E339 IonicContact NZ-OE1 2.57Å; K337-E339 PolarHBondContact NZ-OE1 3.09Å; K337-G355 CarbonylContact C-O 3.57Å; K337-G355 VanDerWaalsContact CA-O 3.27Å; K337-G355 WeakPolarHBondContact CA-O 3.5Å; K337-D356 WeakPolarHBondContact CE-O 3.49Å; K337-L358 HydrophobicContact CB-CD1 3.86Å; K337-L358 HydrophobicContact CG-CD1 4.5Å |
| 338 | Y | 95.9 | Very high | 95 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.008 | 25% | 0.25 | C | C | . | . | trans | -150.7 | 125.6 | -170.2 | -159 | -89.3 | 0 | 0 | 0 | 110.4 | S311 V312 K319 W336 N340 D343 L354 G355 D356 | S311-Y338 WeakPolarHBondContact O-CE2 3.31Å; V312-Y338 HydrophobicContact CG1-CD1 3.95Å; V312-Y338 HydrophobicContact CG1-CE1 3.6Å; K319-Y338 WeakPolarHBondContact CD-OH 3.48Å; K319-Y338 WeakPolarHBondContact CE-OH 3.47Å; K319-Y338 PolarHBondContact NZ-OH 3.18Å; W336-Y338 AromaticContact CD2-CD2 3.8Å; W336-Y338 HydrophobicContact CD2-CD2 3.8Å; W336-Y338 AromaticContact CE2-CD2 3.52Å; W336-Y338 HydrophobicContact CE3-CD2 4Å; W336-Y338 HydrophobicContact CE3-CE2 4.48Å; W336-Y338 HydrophobicContact CG-CD2 4.49Å; W336-Y338 AromaticContact CH2-CD2 3.77Å; W336-Y338 HydrophobicContact CH2-CD2 3.77Å; W336-Y338 AromaticContact CH2-CE2 3.54Å; W336-Y338 HydrophobicContact CH2-CE2 3.54Å; W336-Y338 AromaticContact CZ2-CD2 3.53Å; W336-Y338 HydrophobicContact CZ2-CD2 3.53Å; W336-Y338 AromaticContact CZ2-CE2 3.6Å; W336-Y338 HydrophobicContact CZ2-CE2 3.6Å; W336-Y338 AromaticContact CZ3-CD2 3.99Å; W336-Y338 HydrophobicContact CZ3-CD2 3.99Å; W336-Y338 AromaticContact CZ3-CE2 4Å; W336-Y338 HydrophobicContact CZ3-CE2 4Å; W336-Y338 AromaticContact NE1-CD2 4Å; W336-Y338 PolarHBondContact O-N 2.93Å; W336-Y338 VanDerWaalsContact O-N 3.11Å; Y338-N340 HydrophobicContact CD1-CB 4.25Å; Y338-N340 WeakPolarHBondContact CD1-O 3.29Å; Y338-N340 HydrophobicContact CE1-CB 3.94Å; Y338-N340 WeakPolarHBondContact CE1-O 3.45Å; Y338-N340 PolarHBondContact O-N 3.26Å; Y338-D343 HydrophobicContact CE1-CB 3.72Å; Y338-D343 WeakPolarHBondContact CE1-OD2 3.44Å; Y338-D343 PolarHBondContact OH-OD2 3.42Å; Y338-L354 HydrophobicContact CD1-CD1 4.06Å; Y338-L354 HydrophobicContact CG-CD1 4.42Å; Y338-L354 HydrophobicContact CG-CD2 4.31Å; Y338-G355 PolarHBondContact N-O 3.26Å; Y338-G355 CarbonylContact O-C 3.6Å; Y338-D356 PolarHBondContact O-N 3.14Å | ||
| 339 | E | 93.9 | Very high | 94.9 | Very high | 43 Ų | 43 | 42.7 Ų | 42.7 | 20% | 0.201 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -74.5 | -25.3 | -168.7 | -60.3 | 70.9 | -163.6 | 0 | 0 | 112.8 | K310 S311 V312 K337 | K310-E339 WeakPolarHBondContact CA-OE1 3.47Å; K310-E339 HydrophobicContact CB-CG 4.29Å; K310-E339 WeakPolarHBondContact CB-OE1 3.38Å; K310-E339 HydrophobicContact CD-CG 4.25Å; K310-E339 HydrophobicContact CG-CG 4.21Å; S311-E339 PolarHBondContact N-OE2 2.73Å; V312-E339 HydrophobicContact CG1-CB 3.68Å; V312-E339 HydrophobicContact CG2-CB 4.01Å; V312-E339 HydrophobicContact CG2-CG 4.29Å; V312-E339 PolarHBondContact N-OE2 3.48Å; V312-E339 VanDerWaalsContact N-OE2 3.1Å; K337-E339 WeakPolarHBondContact CE-OE1 3.42Å; K337-E339 IonicContact NZ-OE1 2.57Å; K337-E339 PolarHBondContact NZ-OE1 3.09Å |
| 340 | N | 93.8 | Very high | 94.8 | Very high | 70 Ų | 70 | 48 Ų | 48 | 37% | 0.374 | 27% | 0.269 | S | S | . | . | trans | -106.7 | 91.2 | 174.6 | 176.5 | 14.5 | 0 | 0 | 0 | 111.4 | V312 Y338 S342 D343 | V312-N340 HydrophobicContact CG1-CB 3.72Å; V312-N340 VanDerWaalsContact CG1-N 3.35Å; Y338-N340 HydrophobicContact CD1-CB 4.25Å; Y338-N340 WeakPolarHBondContact CD1-O 3.29Å; Y338-N340 HydrophobicContact CE1-CB 3.94Å; Y338-N340 WeakPolarHBondContact CE1-O 3.45Å; Y338-N340 PolarHBondContact O-N 3.26Å; N340-S342 PolarHBondContact O-N 3.32Å; N340-S342 PolarHBondContact OD1-N 3.07Å; N340-S342 VanDerWaalsContact OD1-N 3.16Å; N340-D343 PolarHBondContact O-N 3.33Å | ||
| 341 | T | 89.5 | Confident | 94.9 | Very high | 78 Ų | 78 | 44.3 Ų | 44.3 | 48% | 0.479 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -5.2 | -177.2 | 58.1 | 0 | 0 | 0 | 0 | 114.9 | L354 | T341-L354 HydrophobicContact CG2-CB 4.11Š|
| 342 | S | 90.1 | Very high | 95 | Very high | 81 Ų | 81 | 39.4 Ų | 39.4 | 57% | 0.566 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | 13.3 | -178.7 | -58.9 | 0 | 0 | 0 | 0 | 112.9 | N340 N347 | N340-S342 PolarHBondContact O-N 3.32Å; N340-S342 PolarHBondContact OD1-N 3.07Å; N340-S342 VanDerWaalsContact OD1-N 3.16Å; S342-N347 PolarHBondContact O-ND2 2.96Å |
| 343 | D | 91.9 | Very high | 94.9 | Very high | 15 Ų | 15 | 41.2 Ų | 41.2 | 8% | 0.08 | 23% | 0.227 | C | C | . | . | trans | -58.3 | 120.1 | -176.4 | -164.6 | -44.8 | 0 | 0 | 0 | 112.3 | Y338 N340 I345 V346 N347 | Y338-D343 HydrophobicContact CE1-CB 3.72Å; Y338-D343 WeakPolarHBondContact CE1-OD2 3.44Å; Y338-D343 PolarHBondContact OH-OD2 3.42Å; N340-D343 PolarHBondContact O-N 3.33Å; D343-I345 PolarHBondContact O-N 2.91Å; D343-I345 VanDerWaalsContact O-N 3.12Å; D343-I345 WeakPolarHBondContact OD1-CB 3.29Å; D343-I345 VanDerWaalsContact OD1-CG1 3.32Å; D343-I345 WeakPolarHBondContact OD1-CG1 3.07Å; D343-I345 PolarHBondContact OD1-N 3.3Å; D343-V346 PolarHBondContact O-N 3.07Å; D343-N347 WeakPolarHBondContact O-CB 3.34Å; D343-N347 PolarHBondContact O-N 3.14Å | ||
| 344 | P | 92.4 | Very high | 94.8 | Very high | 93 Ų | 93 | 42.3 Ų | 42.3 | 60% | 0.604 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -20.2 | -176.6 | 26.5 | -35.5 | 0 | 0 | 0 | 114 | V346 H348 | P344-V346 VanDerWaalsContact C-N 3.26Å; P344-V346 PolarHBondContact O-N 3.05Å; P344-H348 PolarHBondContact O-CE1 3.48Å; P344-H348 PolarHBondContact O-ND1 2.92Å |
| 345 | I | 92.4 | Very high | 94.6 | Very high | 36 Ų | 36 | 42.8 Ų | 42.8 | 19% | 0.185 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -35.1 | 178.9 | -63.3 | 174.2 | 0 | 0 | 0 | 111.1 | K319 A323 D343 H348 | K319-I345 HydrophobicContact CB-CD1 3.91Å; K319-I345 HydrophobicContact CB-CG2 4.29Å; K319-I345 HydrophobicContact CD-CD1 3.85Å; A323-I345 HydrophobicContact CB-CG2 3.79Å; D343-I345 PolarHBondContact O-N 2.91Å; D343-I345 VanDerWaalsContact O-N 3.12Å; D343-I345 WeakPolarHBondContact OD1-CB 3.29Å; D343-I345 VanDerWaalsContact OD1-CG1 3.32Å; D343-I345 WeakPolarHBondContact OD1-CG1 3.07Å; D343-I345 PolarHBondContact OD1-N 3.3Å; I345-H348 PolarHBondContact O-CE1 2.93Å |
| 346 | V | 93.5 | Very high | 94.3 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -131.8 | -14.3 | -174 | -60.4 | 0 | 0 | 0 | 0 | 115.2 | A323 F326 W336 D343 P344 H348 L349 V352 L354 | A323-V346 HydrophobicContact CB-CG1 3.88Å; F326-V346 HydrophobicContact CD2-CG1 4.21Å; F326-V346 HydrophobicContact CE2-CG1 4.24Å; W336-V346 HydrophobicContact CZ3-CG1 4.09Å; W336-V346 HydrophobicContact CZ3-CG2 4.48Å; D343-V346 PolarHBondContact O-N 3.07Å; P344-V346 VanDerWaalsContact C-N 3.26Å; P344-V346 PolarHBondContact O-N 3.05Å; V346-H348 PolarHBondContact O-N 3.41Å; V346-L349 HydrophobicContact CB-CD1 4.37Å; V346-L349 HydrophobicContact CG1-CD1 4.41Å; V346-L349 WeakPolarHBondContact O-CB 3.41Å; V346-L349 PolarHBondContact O-N 3.25Å; V346-V352 HydrophobicContact CB-CG1 4.2Å; V346-V352 HydrophobicContact CG2-CG1 4.31Å; V346-L354 HydrophobicContact CG2-CD1 3.73Å; V346-L354 HydrophobicContact CG2-CD2 3.98Å; V346-L354 HydrophobicContact CG2-CG 4.21Å |
| 347 | N | 89.3 | Confident | 93.9 | Very high | 91 Ų | 91 | 56.5 Ų | 56.5 | 49% | 0.487 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -18.4 | -175.3 | 69.1 | 3.8 | 0 | 0 | 0 | 114.4 | S342 D343 | S342-N347 PolarHBondContact O-ND2 2.96Å; D343-N347 WeakPolarHBondContact O-CB 3.34Å; D343-N347 PolarHBondContact O-N 3.14Å |
| 348 | H | 92.7 | Very high | 93.8 | Very high | 127 Ų | 127 | 56.3 Ų | 56.3 | 59% | 0.588 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -6.6 | 179.2 | 64.9 | -88.1 | 0 | 0 | 0 | 113.1 | P344 I345 V346 | P344-H348 PolarHBondContact O-CE1 3.48Å; P344-H348 PolarHBondContact O-ND1 2.92Å; I345-H348 PolarHBondContact O-CE1 2.93Å; V346-H348 PolarHBondContact O-N 3.41Å |
| 349 | L | 96.7 | Very high | 93.8 | Very high | 22 Ų | 22 | 57.5 Ų | 57.5 | 12% | 0.115 | 30% | 0.304 | C | S | . | . | trans | -91 | 117.9 | 179.6 | -58.9 | 176.2 | 0 | 0 | 0 | 110.2 | A323 F326 K327 V346 N351 V352 | A323-L349 HydrophobicContact CB-CD1 4.45Å; F326-L349 HydrophobicContact CB-CD1 4.01Å; F326-L349 HydrophobicContact CD2-CD1 4.38Å; K327-L349 HydrophobicContact CB-CD2 4.4Å; V346-L349 HydrophobicContact CB-CD1 4.37Å; V346-L349 HydrophobicContact CG1-CD1 4.41Å; V346-L349 WeakPolarHBondContact O-CB 3.41Å; V346-L349 PolarHBondContact O-N 3.25Å; L349-N351 PolarHBondContact O-N 3.48Å; L349-V352 HydrophobicContact CB-CB 4.19Å; L349-V352 HydrophobicContact CB-CG2 3.71Å; L349-V352 HydrophobicContact CD1-CG2 3.93Å; L349-V352 HydrophobicContact CG-CG2 4.48Å; L349-V352 PolarHBondContact O-N 3.33Å | ||
| 350 | D | 96.3 | Very high | 93.8 | Very high | 124 Ų | 124 | 57 Ų | 57 | 66% | 0.663 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -11.5 | -176.3 | 75.8 | -31.8 | 0 | 0 | 0 | 114.1 | R297 | R297-D350 PolarHBondContact NH1-O 3.44Å; R297-D350 VanDerWaalsContact NH2-CG 3.28Å; R297-D350 PolarHBondContact NH2-O 3.01Å; R297-D350 VanDerWaalsContact NH2-O 3.16Å; R297-D350 IonicContact NH2-OD1 2.72Å; R297-D350 PolarHBondContact NH2-OD1 3.19Å; R297-D350 IonicContact NH2-OD2 3.73Å; R297-D350 PolarHBondContact NH2-OD2 2.82Å |
| 351 | N | 98.2 | Very high | 93.8 | Very high | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 3.2 | 175.6 | 73.3 | -32.5 | 0 | 0 | 0 | 113.8 | F326 M329 T332 F334 L349 | F326-N351 PolarHBondContact O-ND2 3.48Å; M329-N351 PolarHBondContact O-ND2 2.92Å; T332-N351 WeakPolarHBondContact O-CB 3.33Å; T332-N351 PolarHBondContact O-ND2 3.26Å; T332-N351 VanDerWaalsContact O-ND2 3.12Å; F334-N351 PolarHBondContact N-O 2.68Å; L349-N351 PolarHBondContact O-N 3.48Å |
| 352 | V | 98.2 | Very high | 94.1 | Very high | 15 Ų | 15 | 52.6 Ų | 52.6 | 9% | 0.091 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 128.1 | 178 | -174.4 | 0 | 0 | 0 | 0 | 110 | F326 F334 V346 L349 L354 | F326-V352 HydrophobicContact CB-CG2 3.75Å; F326-V352 HydrophobicContact CD2-CG1 4.37Å; F326-V352 HydrophobicContact CD2-CG2 3.44Å; F326-V352 VanDerWaalsContact CD2-CG2 3.44Å; F326-V352 HydrophobicContact CE2-CG1 4.4Å; F326-V352 HydrophobicContact CE2-CG2 4.24Å; F326-V352 HydrophobicContact CG-CG2 3.76Å; F334-V352 HydrophobicContact CB-CG2 4.4Å; F334-V352 CarbonylContact O-C 3.58Å; F334-V352 WeakPolarHBondContact O-CA 3.29Å; V346-V352 HydrophobicContact CB-CG1 4.2Å; V346-V352 HydrophobicContact CG2-CG1 4.31Å; L349-V352 HydrophobicContact CB-CB 4.19Å; L349-V352 HydrophobicContact CB-CG2 3.71Å; L349-V352 HydrophobicContact CD1-CG2 3.93Å; L349-V352 HydrophobicContact CG-CG2 4.48Å; L349-V352 PolarHBondContact O-N 3.33Å; V352-L354 HydrophobicContact CG1-CD2 3.8Å; V352-L354 HydrophobicContact CG1-CG 4.48Å |
| 353 | H | 97.3 | Very high | 94.4 | Very high | 43 Ų | 43 | 48.7 Ų | 48.7 | 20% | 0.199 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 111.8 | 177.5 | -57.3 | -78.9 | 0 | 0 | 0 | 110 | W290 I293 F334 I335 W336 | W290-H353 HydrophobicContact CZ3-CB 3.99Å; I293-H353 HydrophobicContact CD1-CB 4.24Å; I293-H353 WeakPolarHBondContact CG2-CD2 3.29Å; F334-H353 PolarHBondContact O-N 2.82Å; I335-H353 WeakPolarHBondContact CA-O 3.38Å; W336-H353 PolarHBondContact N-O 3.01Å |
| 354 | L | 96.8 | Very high | 94.7 | Very high | 23 Ų | 23 | 48.1 Ų | 48.1 | 12% | 0.12 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 150.5 | 179.9 | -55.9 | -173.2 | 0 | 0 | 0 | 112.1 | W336 Y338 T341 V346 V352 | W336-L354 HydrophobicContact CB-CD2 3.93Å; W336-L354 HydrophobicContact CD2-CD2 4.42Å; W336-L354 HydrophobicContact CE3-CD2 4.01Å; W336-L354 HydrophobicContact CG-CD2 4.43Å; W336-L354 WeakPolarHBondContact O-CA 3.29Å; Y338-L354 HydrophobicContact CD1-CD1 4.06Å; Y338-L354 HydrophobicContact CG-CD1 4.42Å; Y338-L354 HydrophobicContact CG-CD2 4.31Å; T341-L354 HydrophobicContact CG2-CB 4.11Å; V346-L354 HydrophobicContact CG2-CD1 3.73Å; V346-L354 HydrophobicContact CG2-CD2 3.98Å; V346-L354 HydrophobicContact CG2-CG 4.21Å; V352-L354 HydrophobicContact CG1-CD2 3.8Å; V352-L354 HydrophobicContact CG1-CG 4.48Å |
| 355 | G | 94.1 | Very high | 94.8 | Very high | 9 Ų | 9 | 44.6 Ų | 44.6 | 9% | 0.093 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 140.1 | 167 | 0 | 0 | 0 | 0 | 0 | 112.2 | W336 K337 Y338 | W336-G355 PolarHBondContact O-N 3.29Å; K337-G355 CarbonylContact C-O 3.57Å; K337-G355 VanDerWaalsContact CA-O 3.27Å; K337-G355 WeakPolarHBondContact CA-O 3.5Å; Y338-G355 PolarHBondContact N-O 3.26Å; Y338-G355 CarbonylContact O-C 3.6Å |
| 356 | D | 91 | Very high | 94.9 | Very high | 92 Ų | 92 | 43.9 Ų | 43.9 | 49% | 0.492 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -68.7 | -43.8 | 177.9 | 177.9 | 34.4 | 0 | 0 | 0 | 111.7 | K337 Y338 | K337-D356 WeakPolarHBondContact CE-O 3.49Å; Y338-D356 PolarHBondContact O-N 3.14Å |
| 357 | W | 91 | Very high | 95 | Very high | 199 Ų | 199 | 49.9 Ų | 49.9 | 75% | 0.754 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -122.8 | 123.7 | 175.2 | -166.5 | -97 | 0 | 0 | 0 | 110.8 | ||
| 358 | L | 95.1 | Very high | 95.4 | Very high | 13 Ų | 13 | 49.6 Ų | 49.6 | 7% | 0.068 | 25% | 0.249 | C | C | . | . | trans | -121.9 | 146.7 | -174.6 | -65.4 | 176.2 | 0 | 0 | 0 | 111.2 | W290 F302 I335 K337 Q360 L363 | W290-L358 HydrophobicContact CH2-CD2 3.29Å; W290-L358 HydrophobicContact CZ2-CD2 3.11Å; W290-L358 HydrophobicContact CZ3-CD2 4.1Å; F302-L358 HydrophobicContact CD2-CD1 4.35Å; F302-L358 HydrophobicContact CE2-CB 4.27Å; F302-L358 HydrophobicContact CE2-CD1 3.55Å; F302-L358 HydrophobicContact CZ-CB 4.45Å; F302-L358 HydrophobicContact CZ-CD1 4.41Å; I335-L358 HydrophobicContact CG2-CD1 3.73Å; I335-L358 HydrophobicContact CG2-CD2 4.25Å; K337-L358 HydrophobicContact CB-CD1 3.86Å; K337-L358 HydrophobicContact CG-CD1 4.5Å; L358-Q360 PolarHBondContact O-N 3.08Å; L358-L363 HydrophobicContact CB-CD1 4.49Å | ||
| 359 | P | 94.8 | Very high | 95.6 | Very high | 28 Ų | 28 | 44.2 Ų | 44.2 | 18% | 0.182 | 23% | 0.225 | C | C | . | . | trans | -77 | 69.2 | 177.8 | 34.4 | -36.3 | 0 | 0 | 0 | 110.4 | L286 W290 N361 E362 L363 | L286-P359 HydrophobicContact CD1-CB 4.35Å; L286-P359 HydrophobicContact CD1-CG 3.66Å; W290-P359 VanDerWaalsContact CD1-CG 3.49Å; W290-P359 HydrophobicContact CG-CG 4.25Å; P359-N361 PolarHBondContact O-N 2.85Å; P359-E362 HydrophobicContact CB-CB 4.16Å; P359-E362 HydrophobicContact CB-CG 4.42Å; P359-E362 WeakPolarHBondContact CB-OE2 3.38Å; P359-E362 PolarHBondContact O-N 3.38Å; P359-L363 HydrophobicContact CG-CG 4.42Å; P359-L363 WeakPolarHBondContact O-CG 3.31Å; P359-L363 PolarHBondContact O-N 2.97Å | ||
| 360 | Q | 95.1 | Very high | 95.7 | Very high | 33 Ų | 33 | 44.3 Ų | 44.3 | 15% | 0.154 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -54.6 | -46.7 | -171.9 | 163.3 | 163 | -48.5 | 0 | 0 | 112.5 | F302 L358 E362 L363 L364 S380 E383 | F302-Q360 HydrophobicContact CE1-CB 3.84Å; F302-Q360 HydrophobicContact CE1-CG 3.71Å; F302-Q360 HydrophobicContact CZ-CB 4.03Å; F302-Q360 HydrophobicContact CZ-CG 4.33Å; L358-Q360 PolarHBondContact O-N 3.08Å; Q360-E362 VanDerWaalsContact C-N 3.34Å; Q360-E362 PolarHBondContact O-N 3.12Å; Q360-L363 PolarHBondContact O-N 3.27Å; Q360-L364 HydrophobicContact CG-CD1 3.77Å; Q360-L364 HydrophobicContact CG-CG 4.36Å; Q360-L364 WeakPolarHBondContact O-CB 3.26Å; Q360-L364 VanDerWaalsContact O-CG 3.22Å; Q360-L364 WeakPolarHBondContact O-CG 3.43Å; Q360-L364 PolarHBondContact O-N 2.62Å; Q360-S380 PolarHBondContact NE2-OG 2.86Å; Q360-E383 PolarHBondContact NE2-OE2 3.32Å |
| 361 | N | 93.6 | Very high | 95.8 | Very high | 15 Ų | 15 | 38.4 Ų | 38.4 | 8% | 0.08 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.4 | -35.9 | -175.6 | -161.6 | 34.2 | 0 | 0 | 0 | 111.7 | K278 L284 P359 A365 | K278-N361 PolarHBondContact O-ND2 3.33Å; L284-N361 WeakPolarHBondContact CD1-ND2 3.24Å; L284-N361 WeakPolarHBondContact CD2-ND2 3.37Å; P359-N361 PolarHBondContact O-N 2.85Å; N361-A365 WeakPolarHBondContact O-CB 3.48Å; N361-A365 PolarHBondContact O-N 2.92Å |
| 362 | E | 95.8 | Very high | 95.9 | Very high | 39 Ų | 39 | 38.2 Ų | 38.2 | 18% | 0.182 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.9 | -39.3 | 174.1 | -62.8 | 72.3 | -166.3 | 0 | 0 | 111.8 | L284 L286 P359 Q360 A365 D366 | L284-E362 HydrophobicContact CB-CG 4.22Å; L284-E362 HydrophobicContact CD2-CG 4.41Å; L286-E362 HydrophobicContact CB-CB 4.43Å; L286-E362 HydrophobicContact CD1-CB 3.9Å; P359-E362 HydrophobicContact CB-CB 4.16Å; P359-E362 HydrophobicContact CB-CG 4.42Å; P359-E362 WeakPolarHBondContact CB-OE2 3.38Å; P359-E362 PolarHBondContact O-N 3.38Å; Q360-E362 VanDerWaalsContact C-N 3.34Å; Q360-E362 PolarHBondContact O-N 3.12Å; E362-A365 PolarHBondContact O-N 3.47Å; E362-D366 PolarHBondContact O-N 2.93Å |
| 363 | L | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.7 | -45.2 | 173 | -74.6 | 169.7 | 0 | 0 | 0 | 111.5 | L286 W290 L294 F302 I335 L358 P359 Q360 A365 D366 L369 | L286-L363 HydrophobicContact CD1-CD2 3.88Å; L286-L363 HydrophobicContact CD1-CG 4.02Å; L286-L363 HydrophobicContact CD2-CD2 4.02Å; W290-L363 HydrophobicContact CB-CD2 4.44Å; L294-L363 HydrophobicContact CD1-CD2 4.1Å; L294-L363 HydrophobicContact CD2-CD2 4.48Å; L294-L363 HydrophobicContact CG-CD2 4.48Å; F302-L363 HydrophobicContact CD1-CD1 4.43Å; F302-L363 HydrophobicContact CD2-CD1 3.94Å; F302-L363 HydrophobicContact CE2-CD1 4.07Å; F302-L363 HydrophobicContact CG-CD1 4.17Å; F302-L363 HydrophobicContact CZ-CD1 4.34Å; I335-L363 HydrophobicContact CD1-CD2 3.81Å; I335-L363 HydrophobicContact CG2-CD1 4.24Å; L358-L363 HydrophobicContact CB-CD1 4.49Å; P359-L363 HydrophobicContact CG-CG 4.42Å; P359-L363 WeakPolarHBondContact O-CG 3.31Å; P359-L363 PolarHBondContact O-N 2.97Å; Q360-L363 PolarHBondContact O-N 3.27Å; L363-A365 VanDerWaalsContact C-N 3.28Å; L363-A365 PolarHBondContact O-N 3.29Å; L363-D366 PolarHBondContact O-N 3.44Å; L363-L369 WeakPolarHBondContact O-CD2 3.29Å |
| 364 | L | 96.8 | Very high | 95.9 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.4 | -33.4 | 177.8 | -69.6 | 171.9 | 0 | 0 | 0 | 112.3 | Q360 D366 L369 F372 E383 L384 M387 T389 | Q360-L364 HydrophobicContact CG-CD1 3.77Å; Q360-L364 HydrophobicContact CG-CG 4.36Å; Q360-L364 WeakPolarHBondContact O-CB 3.26Å; Q360-L364 VanDerWaalsContact O-CG 3.22Å; Q360-L364 WeakPolarHBondContact O-CG 3.43Å; Q360-L364 PolarHBondContact O-N 2.62Å; L364-D366 VanDerWaalsContact C-N 3.31Å; L364-L369 HydrophobicContact CD2-CD2 3.9Å; L364-F372 HydrophobicContact CD1-CD1 4.37Å; L364-F372 HydrophobicContact CD1-CE1 4.27Å; L364-F372 HydrophobicContact CD2-CB 3.95Å; L364-F372 HydrophobicContact CD2-CD1 3.59Å; L364-F372 HydrophobicContact CD2-CE1 4.23Å; L364-F372 HydrophobicContact CD2-CG 3.89Å; L364-E383 HydrophobicContact CD1-CB 3.77Å; L364-L384 HydrophobicContact CD1-CB 4.2Å; L364-L384 HydrophobicContact CD2-CB 3.93Å; L364-M387 HydrophobicContact CB-CB 4.1Å; L364-M387 HydrophobicContact CB-CG 3.91Å; L364-M387 WeakPolarHBondContact O-CB 3.37Å; L364-T389 HydrophobicContact CD2-CG2 4.06Å; L364-T389 PolarHBondContact O-OG1 3.1Å |
| 365 | A | 94.3 | Very high | 95.9 | Very high | 18 Ų | 18 | 35.4 Ų | 35.4 | 15% | 0.149 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -75.1 | -16.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L284 N361 E362 L363 M387 | L284-A365 HydrophobicContact CB-CB 4.01Å; L284-A365 HydrophobicContact CD1-CB 3.77Å; N361-A365 WeakPolarHBondContact O-CB 3.48Å; N361-A365 PolarHBondContact O-N 2.92Å; E362-A365 PolarHBondContact O-N 3.47Å; L363-A365 VanDerWaalsContact C-N 3.28Å; L363-A365 PolarHBondContact O-N 3.29Å; A365-M387 HydrophobicContact CB-CG 4.48Å; A365-M387 HydrophobicContact CB-SD 3.73Å |
| 366 | D | 95.6 | Very high | 96.1 | Very high | 22 Ų | 22 | 35 Ų | 35 | 12% | 0.118 | 18% | 0.176 | C | C | . | . | trans | -79.2 | 125.4 | -176.8 | -164.3 | -61.7 | 0 | 0 | 0 | 111.3 | L294 E362 L363 L364 R368 L369 | L294-D366 HydrophobicContact CD1-CB 3.95Å; E362-D366 PolarHBondContact O-N 2.93Å; L363-D366 PolarHBondContact O-N 3.44Å; L364-D366 VanDerWaalsContact C-N 3.31Å; D366-R368 PolarHBondContact O-N 3.39Å; D366-R368 VanDerWaalsContact O-N 3.08Å; D366-R368 VanDerWaalsContact OD1-CB 3.24Å; D366-R368 WeakPolarHBondContact OD1-CB 3.28Å; D366-R368 WeakPolarHBondContact OD1-CG 3.24Å; D366-R368 IonicContact OD1-CZ 3.37Å; D366-R368 PolarHBondContact OD1-N 2.85Å; D366-R368 IonicContact OD1-NE 3.49Å; D366-R368 PolarHBondContact OD1-NE 3.22Å; D366-R368 IonicContact OD1-NH2 3.81Å; D366-R368 IonicContact OD2-CZ 3.32Å; D366-R368 IonicContact OD2-NE 3.65Å; D366-R368 PolarHBondContact OD2-NE 2.95Å; D366-R368 IonicContact OD2-NH2 2.98Å; D366-R368 PolarHBondContact OD2-NH2 2.95Å; D366-L369 PolarHBondContact O-N 3.39Å; D366-L369 VanDerWaalsContact O-N 3.13Å | ||
| 367 | P | 94.8 | Very high | 96.3 | Very high | 128 Ų | 128 | 31.1 Ų | 31.1 | 83% | 0.831 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -12 | -177.7 | 28 | -36.4 | 0 | 0 | 0 | 114.3 | ||
| 368 | R | 97.3 | Very high | 96.5 | Very high | 85 Ų | 85 | 22.2 Ų | 22.2 | 32% | 0.321 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -13.4 | 176.9 | -62.1 | 169.8 | -72.1 | 176.2 | -2.5 | 112.9 | S291 L294 N300 D366 S370 | S291-R368 PolarHBondContact O-NH1 3.47Å; S291-R368 PolarHBondContact OG-NH2 2.93Å; L294-R368 HydrophobicContact CB-CB 4.34Å; N300-R368 PolarHBondContact ND2-O 3.2Å; D366-R368 PolarHBondContact O-N 3.39Å; D366-R368 VanDerWaalsContact O-N 3.08Å; D366-R368 VanDerWaalsContact OD1-CB 3.24Å; D366-R368 WeakPolarHBondContact OD1-CB 3.28Å; D366-R368 WeakPolarHBondContact OD1-CG 3.24Å; D366-R368 IonicContact OD1-CZ 3.37Å; D366-R368 PolarHBondContact OD1-N 2.85Å; D366-R368 IonicContact OD1-NE 3.49Å; D366-R368 PolarHBondContact OD1-NE 3.22Å; D366-R368 IonicContact OD1-NH2 3.81Å; D366-R368 IonicContact OD2-CZ 3.32Å; D366-R368 IonicContact OD2-NE 3.65Å; D366-R368 PolarHBondContact OD2-NE 2.95Å; D366-R368 IonicContact OD2-NH2 2.98Å; D366-R368 PolarHBondContact OD2-NH2 2.95Å; R368-S370 PolarHBondContact O-N 2.8Å |
| 369 | L | 98.3 | Very high | 96.4 | Very high | 13 Ų | 13 | 23 Ų | 23 | 7% | 0.068 | 14% | 0.137 | C | C | . | . | trans | -71.7 | 124.7 | 174.7 | -174.9 | 67.4 | 0 | 0 | 0 | 110 | N300 F302 L363 L364 D366 T389 | N300-L369 HydrophobicContact CB-CD1 4.34Å; F302-L369 HydrophobicContact CB-CD1 3.65Å; F302-L369 HydrophobicContact CB-CD2 4.21Å; L363-L369 WeakPolarHBondContact O-CD2 3.29Å; L364-L369 HydrophobicContact CD2-CD2 3.9Å; D366-L369 PolarHBondContact O-N 3.39Å; D366-L369 VanDerWaalsContact O-N 3.13Å; L369-T389 HydrophobicContact CD2-CG2 3.77Å; L369-T389 HydrophobicContact CG-CG2 4.18Å | ||
| 370 | S | 98.5 | Very high | 96.4 | Very high | 25 Ų | 25 | 22.3 Ų | 22.3 | 18% | 0.175 | 13% | 0.132 | C | C | . | . | trans | -89.8 | -47.5 | -176.6 | -46.7 | 0 | 0 | 0 | 0 | 112.2 | N299 N300 R368 P390 | N299-S370 WeakPolarHBondContact CA-OG 3.36Å; N300-S370 PolarHBondContact N-OG 3Å; N300-S370 WeakPolarHBondContact O-CA 3.28Å; N300-S370 VanDerWaalsContact O-CB 3.26Å; N300-S370 WeakPolarHBondContact O-CB 3.49Å; N300-S370 PolarHBondContact O-N 3.35Å; N300-S370 PolarHBondContact O-OG 3.35Å; R368-S370 PolarHBondContact O-N 2.8Å; S370-P390 WeakPolarHBondContact O-CD 3.4Å | ||
| 371 | V | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 143.7 | -175.2 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | N300 V301 F302 P390 V392 L431 V434 I435 | N300-V371 PolarHBondContact O-N 3.33Å; V301-V371 WeakPolarHBondContact CA-O 3.43Å; F302-V371 PolarHBondContact N-O 3.14Å; V371-P390 WeakPolarHBondContact CA-O 3.3Å; V371-P390 HydrophobicContact CG2-CB 4.42Å; V371-V392 HydrophobicContact CG1-CG2 4.03Å; V371-L431 HydrophobicContact CG1-CD2 4.31Å; V371-V434 HydrophobicContact CG1-CG1 4.1Å; V371-V434 HydrophobicContact CG2-CB 4.07Å; V371-V434 HydrophobicContact CG2-CG1 3.6Å; V371-I435 HydrophobicContact CG2-CG1 3.54Å |
| 372 | F | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 121 | 167.1 | -175.6 | -157.3 | 0 | 0 | 0 | 111.3 | F302 L364 T374 L384 T389 P390 A391 V392 | F302-F372 HydrophobicContact CB-CD2 4.12Å; F302-F372 AromaticContact CD1-CD2 3.33Å; F302-F372 HydrophobicContact CD1-CD2 3.33Å; F302-F372 AromaticContact CD1-CE2 3.26Å; F302-F372 HydrophobicContact CD1-CE2 3.26Å; F302-F372 HydrophobicContact CD1-CG 4.1Å; F302-F372 AromaticContact CD1-CZ 3.95Å; F302-F372 HydrophobicContact CD1-CZ 3.95Å; F302-F372 AromaticContact CE1-CD2 3.89Å; F302-F372 HydrophobicContact CE1-CD2 3.89Å; F302-F372 HydrophobicContact CE1-CE1 4.47Å; F302-F372 AromaticContact CE1-CE2 3.29Å; F302-F372 HydrophobicContact CE1-CE2 3.29Å; F302-F372 AromaticContact CE1-CZ 3.63Å; F302-F372 HydrophobicContact CE1-CZ 3.63Å; F302-F372 AromaticContact CG-CD2 3.91Å; F302-F372 HydrophobicContact CG-CD2 3.91Å; F302-F372 HydrophobicContact CG-CE2 4.02Å; F302-F372 HydrophobicContact CZ-CE2 4.07Å; F302-F372 HydrophobicContact CZ-CZ 4.48Å; F302-F372 CarbonylContact O-C 3.4Å; F302-F372 WeakPolarHBondContact O-CA 3.32Å; F302-F372 WeakPolarHBondContact O-CD2 3.26Å; L364-F372 HydrophobicContact CD1-CD1 4.37Å; L364-F372 HydrophobicContact CD1-CE1 4.27Å; L364-F372 HydrophobicContact CD2-CB 3.95Å; L364-F372 HydrophobicContact CD2-CD1 3.59Å; L364-F372 HydrophobicContact CD2-CE1 4.23Å; L364-F372 HydrophobicContact CD2-CG 3.89Å; F372-T374 HydrophobicContact CD1-CG2 4.05Å; F372-T374 HydrophobicContact CE1-CG2 3.94Å; F372-T374 HydrophobicContact CZ-CG2 4.26Å; F372-L384 HydrophobicContact CD1-CB 4.09Å; F372-L384 HydrophobicContact CD1-CD2 3.67Å; F372-L384 HydrophobicContact CE1-CD2 4.24Å; F372-T389 HydrophobicContact CB-CG2 4.24Å; F372-P390 PolarHBondContact N-O 3.37Å; F372-A391 CarbonylContact O-C 3.48Å; F372-A391 WeakPolarHBondContact O-CA 3.37Å; F372-A391 WeakPolarHBondContact O-CB 3.44Å; F372-V392 PolarHBondContact O-N 2.84Å |
| 373 | V | 98.8 | Very high | 96.6 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.012 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 120.1 | 170.8 | -174.3 | 0 | 0 | 0 | 0 | 108.7 | V301 F302 I303 S304 F305 V392 I394 L431 | V301-V373 HydrophobicContact CG1-CG2 3.75Å; F302-V373 PolarHBondContact O-N 2.98Å; I303-V373 WeakPolarHBondContact CA-O 3.21Å; I303-V373 HydrophobicContact CB-CB 4.33Å; I303-V373 HydrophobicContact CG1-CB 4.03Å; I303-V373 HydrophobicContact CG1-CG2 4.15Å; I303-V373 HydrophobicContact CG2-CB 4.15Å; I303-V373 HydrophobicContact CG2-CG1 4.28Å; S304-V373 PolarHBondContact N-O 3.17Å; F305-V373 HydrophobicContact CZ-CG1 4.34Å; V373-V392 VanDerWaalsContact CA-O 3.31Å; V373-V392 WeakPolarHBondContact CA-O 3.43Å; V373-V392 HydrophobicContact CG2-CB 4.26Å; V373-I394 HydrophobicContact CG1-CD1 3.66Å; V373-I394 HydrophobicContact CG1-CG1 4.26Å; V373-L431 HydrophobicContact CG2-CD2 3.75Å |
| 374 | T | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 159.2 | -175.9 | -168.6 | 0 | 0 | 0 | 0 | 113.2 | S304 F372 G376 L384 V392 M393 I394 | S304-T374 VanDerWaalsContact O-CA 3.25Å; S304-T374 WeakPolarHBondContact O-CA 2.87Å; S304-T374 VanDerWaalsContact O-CB 3.3Å; S304-T374 WeakPolarHBondContact O-CB 3.17Å; S304-T374 PolarHBondContact O-OG1 3.21Å; F372-T374 HydrophobicContact CD1-CG2 4.05Å; F372-T374 HydrophobicContact CE1-CG2 3.94Å; F372-T374 HydrophobicContact CZ-CG2 4.26Å; T374-G376 PolarHBondContact O-N 2.99Å; T374-L384 HydrophobicContact CG2-CD2 4.23Å; T374-V392 PolarHBondContact N-O 3.13Å; T374-M393 HydrophobicContact CG2-CE 3.82Å; T374-M393 HydrophobicContact CG2-SD 3.55Å; T374-M393 VanDerWaalsContact CG2-SD 3.55Å; T374-M393 CarbonylContact O-C 3.6Å; T374-M393 VanDerWaalsContact O-CA 3.31Å; T374-M393 WeakPolarHBondContact O-CA 3.46Å; T374-I394 PolarHBondContact O-N 2.56Å |
| 375 | H | 96.9 | Very high | 96.6 | Very high | 19 Ų | 19 | 18.9 Ų | 18.9 | 9% | 0.088 | 12% | 0.116 | C | C | . | . | trans | -68 | -24.5 | 175.3 | 66.5 | -79.6 | 0 | 0 | 0 | 113.3 | F305 G306 G377 I394 P395 L396 Q400 | F305-H375 WeakPolarHBondContact CA-ND1 3.49Å; F305-H375 HydrophobicContact CD1-CB 4.02Å; F305-H375 PolarHBondContact O-CE1 2.8Å; F305-H375 PolarHBondContact O-ND1 3.37Å; G306-H375 PolarHBondContact N-ND1 2.96Å; H375-G377 PolarHBondContact CD2-N 3.33Å; H375-G377 VanDerWaalsContact NE2-CA 3.27Å; H375-G377 WeakPolarHBondContact NE2-CA 3.41Å; H375-G377 PolarHBondContact NE2-N 3.05Å; H375-I394 VanDerWaalsContact CA-O 3.25Å; H375-I394 WeakPolarHBondContact CA-O 3.34Å; H375-P395 WeakPolarHBondContact O-CA 3.4Å; H375-L396 HydrophobicContact CB-CD1 4.16Å; H375-L396 HydrophobicContact CB-CG 4.22Å; H375-Q400 PolarHBondContact CD2-NE2 3.05Å; H375-Q400 VanDerWaalsContact CD2-NE2 3.33Å; H375-Q400 WeakPolarHBondContact O-CB 3.33Å | ||
| 376 | G | 96.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | 92.6 | 30.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | T374 N403 | T374-G376 PolarHBondContact O-N 2.99Å; G376-N403 WeakPolarHBondContact O-CB 3.47Å; G376-N403 PolarHBondContact O-ND2 3.14Å | ||
| 377 | G | 95.3 | Very high | 96.6 | Very high | 12 Ų | 12 | 18.1 Ų | 18.1 | 12% | 0.124 | 11% | 0.109 | C | C | . | . | trans | -59 | 143 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | H375 G379 S380 V381 | H375-G377 PolarHBondContact CD2-N 3.33Å; H375-G377 VanDerWaalsContact NE2-CA 3.27Å; H375-G377 WeakPolarHBondContact NE2-CA 3.41Å; H375-G377 PolarHBondContact NE2-N 3.05Å; G377-G379 PolarHBondContact O-N 2.95Å; G377-G379 VanDerWaalsContact O-N 3.15Å; G377-S380 PolarHBondContact O-N 3.09Å; G377-V381 PolarHBondContact O-N 2.8Å | ||
| 378 | L | 95.5 | Very high | 96.7 | Very high | 12 Ų | 12 | 12.3 Ų | 12.3 | 6% | 0.063 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -55.6 | -37.3 | -171.6 | -176.3 | 55.6 | 0 | 0 | 0 | 113.6 | N172 N254 V381 T382 N403 M406 | N172-L378 VanDerWaalsContact ND2-CD1 3.28Å; N172-L378 WeakPolarHBondContact ND2-CD1 3.42Å; N254-L378 HydrophobicContact CB-CD2 4.17Å; L378-V381 PolarHBondContact O-N 3.16Å; L378-T382 WeakPolarHBondContact O-CB 3.21Å; L378-T382 PolarHBondContact O-N 3.11Å; L378-T382 PolarHBondContact O-OG1 2.63Å; L378-N403 PolarHBondContact N-ND2 3.39Å; L378-M406 HydrophobicContact CD1-CE 4.16Å |
| 379 | G | 93.7 | Very high | 96.8 | Very high | 30 Ų | 30 | 8.6 Ų | 8.6 | 31% | 0.309 | 6% | 0.059 | S | C | . | . | H | α-helix | trans | -59.5 | -51.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G377 V381 T382 E383 | G377-G379 PolarHBondContact O-N 2.95Å; G377-G379 VanDerWaalsContact O-N 3.15Å; G379-V381 PolarHBondContact O-N 3.48Å; G379-T382 PolarHBondContact O-N 2.76Å; G379-E383 VanDerWaalsContact O-CG 3.31Å; G379-E383 WeakPolarHBondContact O-CG 3.26Å; G379-E383 PolarHBondContact O-N 2.83Å |
| 380 | S | 95.3 | Very high | 96.8 | Very high | 12 Ų | 12 | 8.1 Ų | 8.1 | 8% | 0.084 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -62 | -41.7 | 177 | -67.1 | 0 | 0 | 0 | 0 | 112 | Q360 G377 T382 E383 L384 | Q360-S380 PolarHBondContact NE2-OG 2.86Å; G377-S380 PolarHBondContact O-N 3.09Å; S380-T382 VanDerWaalsContact C-N 3.32Å; S380-T382 PolarHBondContact O-N 3.02Å; S380-E383 PolarHBondContact O-N 3.27Å; S380-L384 WeakPolarHBondContact O-CB 3.3Å; S380-L384 WeakPolarHBondContact O-CD2 3.48Å; S380-L384 VanDerWaalsContact O-CG 3.26Å; S380-L384 WeakPolarHBondContact O-CG 3.37Å; S380-L384 PolarHBondContact O-N 3.47Å |
| 381 | V | 97 | Very high | 96.8 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -61.8 | -41.9 | 177.1 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | L259 G377 L378 G379 A385 M393 N403 M406 L407 | L259-V381 HydrophobicContact CD2-CG1 4.4Å; G377-V381 PolarHBondContact O-N 2.8Å; L378-V381 PolarHBondContact O-N 3.16Å; G379-V381 PolarHBondContact O-N 3.48Å; V381-A385 WeakPolarHBondContact O-CB 3.46Å; V381-A385 PolarHBondContact O-N 2.97Å; V381-M393 HydrophobicContact CG2-CE 3.43Å; V381-M393 VanDerWaalsContact CG2-CE 3.43Å; V381-N403 HydrophobicContact CG2-CB 4.23Å; V381-M406 HydrophobicContact CG1-CE 3.43Å; V381-M406 VanDerWaalsContact CG1-CE 3.43Å; V381-L407 HydrophobicContact CG1-CB 4.16Å; V381-L407 HydrophobicContact CG1-CD2 4.49Å |
| 382 | T | 96.2 | Very high | 96.8 | Very high | 4 Ų | 4 | 6.9 Ų | 6.9 | 3% | 0.025 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -67.7 | -46.3 | 177.7 | -51.6 | 0 | 0 | 0 | 0 | 111 | I256 V277 L378 G379 S380 A385 M386 | I256-T382 HydrophobicContact CD1-CG2 3.67Å; V277-T382 HydrophobicContact CG2-CG2 3.7Å; L378-T382 WeakPolarHBondContact O-CB 3.21Å; L378-T382 PolarHBondContact O-N 3.11Å; L378-T382 PolarHBondContact O-OG1 2.63Å; G379-T382 PolarHBondContact O-N 2.76Å; S380-T382 VanDerWaalsContact C-N 3.32Å; S380-T382 PolarHBondContact O-N 3.02Å; T382-A385 PolarHBondContact O-N 2.98Å; T382-M386 HydrophobicContact CG2-CG 4.38Å; T382-M386 HydrophobicContact CG2-SD 3.96Å; T382-M386 WeakPolarHBondContact O-CB 3.34Å; T382-M386 VanDerWaalsContact O-CG 3.24Å; T382-M386 WeakPolarHBondContact O-CG 3.28Å; T382-M386 PolarHBondContact O-N 3.43Å |
| 383 | E | 95.3 | Very high | 96.8 | Very high | 11 Ų | 11 | 6.9 Ų | 6.9 | 5% | 0.051 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -57.6 | -53.2 | 177.9 | -72.1 | 169.3 | 179.4 | 0 | 0 | 111.2 | K35 V277 Q360 L364 G379 S380 A385 M386 M387 | K35-E383 IonicContact NZ-OE1 3.48Å; K35-E383 PolarHBondContact NZ-OE1 3.26Å; V277-E383 HydrophobicContact CB-CG 4.43Å; V277-E383 HydrophobicContact CG1-CG 3.98Å; V277-E383 HydrophobicContact CG2-CG 3.8Å; Q360-E383 PolarHBondContact NE2-OE2 3.32Å; L364-E383 HydrophobicContact CD1-CB 3.77Å; G379-E383 VanDerWaalsContact O-CG 3.31Å; G379-E383 WeakPolarHBondContact O-CG 3.26Å; G379-E383 PolarHBondContact O-N 2.83Å; S380-E383 PolarHBondContact O-N 3.27Å; E383-A385 PolarHBondContact O-N 3.31Å; E383-M386 PolarHBondContact O-N 3.25Å; E383-M387 WeakPolarHBondContact O-CB 3.26Å; E383-M387 VanDerWaalsContact O-CG 3.25Å; E383-M387 WeakPolarHBondContact O-CG 2.98Å; E383-M387 PolarHBondContact O-N 2.87Å |
| 384 | L | 96.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 6.8 Ų | 6.8 | 1% | 0.005 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -67.4 | -36.3 | -178 | 75 | 82.6 | 0 | 0 | 0 | 112.3 | L364 F372 T374 S380 M387 G388 T389 A391 M393 L407 | L364-L384 HydrophobicContact CD1-CB 4.2Å; L364-L384 HydrophobicContact CD2-CB 3.93Å; F372-L384 HydrophobicContact CD1-CB 4.09Å; F372-L384 HydrophobicContact CD1-CD2 3.67Å; F372-L384 HydrophobicContact CE1-CD2 4.24Å; T374-L384 HydrophobicContact CG2-CD2 4.23Å; S380-L384 WeakPolarHBondContact O-CB 3.3Å; S380-L384 WeakPolarHBondContact O-CD2 3.48Å; S380-L384 VanDerWaalsContact O-CG 3.26Å; S380-L384 WeakPolarHBondContact O-CG 3.37Å; S380-L384 PolarHBondContact O-N 3.47Å; L384-M387 PolarHBondContact O-N 3.43Å; L384-G388 PolarHBondContact O-N 3.08Å; L384-T389 PolarHBondContact O-N 2.63Å; L384-T389 VanDerWaalsContact O-N 3.13Å; L384-A391 HydrophobicContact CD1-CB 4.28Å; L384-A391 HydrophobicContact CD2-CB 4.07Å; L384-M393 HydrophobicContact CD2-SD 4.41Å; L384-L407 HydrophobicContact CD1-CD1 4.03Å; L384-L407 HydrophobicContact CD1-CD2 3.36Å; L384-L407 HydrophobicContact CD1-CG 4.32Å; L384-L407 HydrophobicContact CD2-CD2 4.16Å; L384-L407 HydrophobicContact CG-CD2 4.29Å |
| 385 | A | 97.3 | Very high | 96.7 | Very high | 2 Ų | 2 | 7.5 Ų | 7.5 | 2% | 0.017 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -66.9 | -39.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L259 V381 T382 E383 L407 L447 A448 L451 | L259-A385 HydrophobicContact CD1-CB 4.17Å; L259-A385 HydrophobicContact CD2-CB 4.12Å; V381-A385 WeakPolarHBondContact O-CB 3.46Å; V381-A385 PolarHBondContact O-N 2.97Å; T382-A385 PolarHBondContact O-N 2.98Å; E383-A385 PolarHBondContact O-N 3.31Å; A385-L407 HydrophobicContact CB-CD1 4.1Å; A385-L447 HydrophobicContact CB-CD2 3.95Å; A385-A448 VanDerWaalsContact O-CA 3.24Å; A385-A448 WeakPolarHBondContact O-CA 3.44Å; A385-A448 WeakPolarHBondContact O-CB 3.01Å; A385-A448 PolarHBondContact O-N 3.49Å; A385-L451 HydrophobicContact CB-CD1 3.66Å |
| 386 | M | 95.1 | Very high | 96.6 | Very high | 14 Ų | 14 | 6.7 Ų | 6.7 | 7% | 0.069 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -74.8 | -25.6 | 176.2 | -65.7 | -173.9 | 93.8 | 0 | 0 | 112.9 | V277 T279 T382 E383 A448 L451 | V277-M386 HydrophobicContact CB-SD 4.15Å; V277-M386 HydrophobicContact CG1-SD 3.86Å; T279-M386 HydrophobicContact CG2-CE 3.28Å; T279-M386 HydrophobicContact CG2-SD 3.72Å; T382-M386 HydrophobicContact CG2-CG 4.38Å; T382-M386 HydrophobicContact CG2-SD 3.96Å; T382-M386 WeakPolarHBondContact O-CB 3.34Å; T382-M386 VanDerWaalsContact O-CG 3.24Å; T382-M386 WeakPolarHBondContact O-CG 3.28Å; T382-M386 PolarHBondContact O-N 3.43Å; E383-M386 PolarHBondContact O-N 3.25Å; M386-A448 WeakPolarHBondContact O-CB 3.04Å; M386-L451 HydrophobicContact CG-CB 4.18Å; M386-L451 HydrophobicContact CG-CD1 4.16Å |
| 387 | M | 95.4 | Very high | 96.3 | Very high | 10 Ų | 10 | 8.1 Ų | 8.1 | 5% | 0.049 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -84.2 | -26.7 | 176.6 | -66.7 | -55.6 | 137.6 | 0 | 0 | 113.4 | K278 K281 L284 L364 A365 E383 L384 | K278-M387 WeakPolarHBondContact O-CE 3.39Å; K281-M387 HydrophobicContact CD-SD 4.32Å; K281-M387 VanDerWaalsContact CE-SD 3.6Å; K281-M387 HydrophobicContact CG-SD 3.95Å; K281-M387 PolarHBondContact NZ-O 2.59Å; L284-M387 HydrophobicContact CD1-CE 3.97Å; L284-M387 HydrophobicContact CD1-SD 4.26Å; L364-M387 HydrophobicContact CB-CB 4.1Å; L364-M387 HydrophobicContact CB-CG 3.91Å; L364-M387 WeakPolarHBondContact O-CB 3.37Å; A365-M387 HydrophobicContact CB-CG 4.48Å; A365-M387 HydrophobicContact CB-SD 3.73Å; E383-M387 WeakPolarHBondContact O-CB 3.26Å; E383-M387 VanDerWaalsContact O-CG 3.25Å; E383-M387 WeakPolarHBondContact O-CG 2.98Å; E383-M387 PolarHBondContact O-N 2.87Å; L384-M387 PolarHBondContact O-N 3.43Å |
| 388 | G | 96.7 | Very high | 96.1 | Very high | 6 Ų | 6 | 9.7 Ų | 9.7 | 6% | 0.062 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.2 | 33.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L384 S444 | L384-G388 PolarHBondContact O-N 3.08Å; G388-S444 VanDerWaalsContact C-CB 3.48Å; G388-S444 WeakPolarHBondContact CA-O 3.39Å; G388-S444 WeakPolarHBondContact O-CB 3.47Å |
| 389 | T | 97.9 | Very high | 96 | Very high | 7 Ų | 7 | 10.6 Ų | 10.6 | 4% | 0.043 | 7% | 0.072 | C | C | . | . | trans | -94.2 | 130.1 | -177.9 | -43.5 | 0 | 0 | 0 | 0 | 110.8 | L364 L369 F372 L384 S444 | L364-T389 HydrophobicContact CD2-CG2 4.06Å; L364-T389 PolarHBondContact O-OG1 3.1Å; L369-T389 HydrophobicContact CD2-CG2 3.77Å; L369-T389 HydrophobicContact CG-CG2 4.18Å; F372-T389 HydrophobicContact CB-CG2 4.24Å; L384-T389 PolarHBondContact O-N 2.63Å; L384-T389 VanDerWaalsContact O-N 3.13Å; T389-S444 PolarHBondContact O-OG 3Å | ||
| 390 | P | 98.7 | Very high | 96.1 | Very high | 3 Ų | 3 | 9.4 Ų | 9.4 | 2% | 0.019 | 6% | 0.058 | C | C | . | . | trans | -59.7 | 151.1 | 167.4 | -26.5 | 37.1 | 0 | 0 | 0 | 112.8 | S370 V371 F372 G412 V434 L441 | S370-P390 WeakPolarHBondContact O-CD 3.4Å; V371-P390 WeakPolarHBondContact CA-O 3.3Å; V371-P390 HydrophobicContact CG2-CB 4.42Å; F372-P390 PolarHBondContact N-O 3.37Å; P390-G412 VanDerWaalsContact CA-O 3.3Å; P390-G412 WeakPolarHBondContact CA-O 3.38Å; P390-V434 HydrophobicContact CB-CG1 3.6Å; P390-L441 HydrophobicContact CG-CB 4.07Å; P390-L441 HydrophobicContact CG-CD1 3.98Å | ||
| 391 | A | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 149.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | F372 L384 M393 L407 G412 A413 V414 | F372-A391 CarbonylContact O-C 3.48Å; F372-A391 WeakPolarHBondContact O-CA 3.37Å; F372-A391 WeakPolarHBondContact O-CB 3.44Å; L384-A391 HydrophobicContact CD1-CB 4.28Å; L384-A391 HydrophobicContact CD2-CB 4.07Å; A391-M393 HydrophobicContact CB-CG 4.37Å; A391-M393 HydrophobicContact CB-SD 3.63Å; A391-L407 HydrophobicContact CB-CD2 4.17Å; A391-G412 PolarHBondContact N-O 2.86Å; A391-G412 VanDerWaalsContact N-O 3.08Å; A391-A413 HydrophobicContact CB-CB 4.07Å; A391-A413 CarbonylContact O-C 3.58Å; A391-A413 WeakPolarHBondContact O-CA 3.5Å; A391-V414 PolarHBondContact O-N 2.88Å |
| 392 | V | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 116.1 | 162 | 177.3 | 0 | 0 | 0 | 0 | 107.1 | V371 F372 V373 T374 I394 I416 T430 L431 V434 | V371-V392 HydrophobicContact CG1-CG2 4.03Å; F372-V392 PolarHBondContact O-N 2.84Å; V373-V392 VanDerWaalsContact CA-O 3.31Å; V373-V392 WeakPolarHBondContact CA-O 3.43Å; V373-V392 HydrophobicContact CG2-CB 4.26Å; T374-V392 PolarHBondContact N-O 3.13Å; V392-I394 HydrophobicContact CG1-CG1 4.3Å; V392-I416 HydrophobicContact CG1-CD1 3.86Å; V392-I416 HydrophobicContact CG1-CG1 4.16Å; V392-T430 HydrophobicContact CG1-CG2 4.06Å; V392-T430 HydrophobicContact CG2-CG2 3.94Å; V392-L431 HydrophobicContact CG2-CD2 4.19Å; V392-V434 HydrophobicContact CG2-CB 4.47Å; V392-V434 HydrophobicContact CG2-CG2 3.95Å |
| 393 | M | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 128.1 | -172.9 | -52.1 | -61.7 | -72.2 | 0 | 0 | 109.5 | T374 V381 L384 A391 A404 L407 A413 V414 V415 I416 | T374-M393 HydrophobicContact CG2-CE 3.82Å; T374-M393 HydrophobicContact CG2-SD 3.55Å; T374-M393 VanDerWaalsContact CG2-SD 3.55Å; T374-M393 CarbonylContact O-C 3.6Å; T374-M393 VanDerWaalsContact O-CA 3.31Å; T374-M393 WeakPolarHBondContact O-CA 3.46Å; V381-M393 HydrophobicContact CG2-CE 3.43Å; V381-M393 VanDerWaalsContact CG2-CE 3.43Å; L384-M393 HydrophobicContact CD2-SD 4.41Å; A391-M393 HydrophobicContact CB-CG 4.37Å; A391-M393 HydrophobicContact CB-SD 3.63Å; M393-A404 HydrophobicContact CB-CB 3.65Å; M393-A404 HydrophobicContact CE-CB 4.33Å; M393-A404 HydrophobicContact CG-CB 4.22Å; M393-L407 HydrophobicContact CE-CD2 4.31Å; M393-L407 HydrophobicContact CG-CD2 4.44Å; M393-L407 HydrophobicContact SD-CD2 3.98Å; M393-A413 HydrophobicContact CG-CB 4.1Å; M393-V414 PolarHBondContact N-O 3.41Å; M393-V415 HydrophobicContact CB-CG2 4.17Å; M393-V415 WeakPolarHBondContact O-CA 3.17Å; M393-I416 PolarHBondContact O-N 3.13Å |
| 394 | I | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 5% | 0.054 | C | C | . | . | trans | -129.2 | 78.9 | -176 | -40.6 | -174.6 | 0 | 0 | 0 | 109.4 | F305 V373 T374 H375 V392 I416 K418 L421 M427 | F305-I394 HydrophobicContact CE1-CB 4.07Å; F305-I394 HydrophobicContact CE1-CD1 4.04Å; F305-I394 HydrophobicContact CE1-CG1 4.39Å; F305-I394 HydrophobicContact CZ-CD1 4.09Å; V373-I394 HydrophobicContact CG1-CD1 3.66Å; V373-I394 HydrophobicContact CG1-CG1 4.26Å; T374-I394 PolarHBondContact O-N 2.56Å; H375-I394 VanDerWaalsContact CA-O 3.25Å; H375-I394 WeakPolarHBondContact CA-O 3.34Å; V392-I394 HydrophobicContact CG1-CG1 4.3Å; I394-I416 HydrophobicContact CB-CG1 4.27Å; I394-I416 HydrophobicContact CD1-CD1 3.69Å; I394-I416 HydrophobicContact CD1-CG1 4.14Å; I394-I416 HydrophobicContact CG1-CD1 3.76Å; I394-I416 HydrophobicContact CG1-CG1 3.63Å; I394-I416 HydrophobicContact CG2-CG1 4.23Å; I394-K418 HydrophobicContact CG2-CB 4.1Å; I394-L421 HydrophobicContact CD1-CD1 4.36Å; I394-L421 HydrophobicContact CD1-CD2 3.5Å; I394-L421 HydrophobicContact CD1-CG 4.01Å; I394-L421 HydrophobicContact CG2-CD1 3.97Å; I394-L421 HydrophobicContact CG2-CG 4.13Å; I394-M427 HydrophobicContact CD1-CE 4.25Å | ||
| 395 | P | 96.7 | Very high | 96.3 | Very high | 15 Ų | 15 | 10.1 Ų | 10.1 | 10% | 0.097 | 6% | 0.061 | C | C | . | . | trans | -56.1 | 141.3 | -178.1 | -25.5 | 36.3 | 0 | 0 | 0 | 113 | H375 Q400 A404 V415 | H375-P395 WeakPolarHBondContact O-CA 3.4Å; P395-Q400 HydrophobicContact CB-CB 4.1Å; P395-A404 HydrophobicContact CG-CB 3.73Å; P395-V415 HydrophobicContact CG-CG1 4.08Å | ||
| 396 | L | 94.7 | Very high | 96.4 | Very high | 2 Ų | 2 | 10 Ų | 10 | 1% | 0.01 | 6% | 0.06 | C | C | . | . | trans | -119 | -39.6 | 178.7 | -57.7 | 176.9 | 0 | 0 | 0 | 112.9 | W98 T102 F305 A309 H375 K418 | W98-L396 HydrophobicContact CD2-CD1 4.15Å; W98-L396 HydrophobicContact CD2-CD2 4.38Å; W98-L396 HydrophobicContact CE3-CD1 4.08Å; W98-L396 HydrophobicContact CE3-CD2 3.66Å; W98-L396 HydrophobicContact CH2-CD1 3.79Å; W98-L396 HydrophobicContact CH2-CD2 4.38Å; W98-L396 HydrophobicContact CZ2-CD1 3.85Å; W98-L396 HydrophobicContact CZ3-CD1 3.89Å; W98-L396 HydrophobicContact CZ3-CD2 3.66Å; W98-L396 HydrophobicContact CZ3-CG 4.42Å; T102-L396 PolarHBondContact OG1-O 2.85Å; F305-L396 HydrophobicContact CD1-CD1 4.24Å; A309-L396 HydrophobicContact CB-CD1 3.44Å; A309-L396 VanDerWaalsContact CB-CD1 3.44Å; H375-L396 HydrophobicContact CB-CD1 4.16Å; H375-L396 HydrophobicContact CB-CG 4.22Å; L396-K418 HydrophobicContact CD2-CB 3.93Å; L396-K418 HydrophobicContact CD2-CD 4.1Å | ||
| 397 | F | 92 | Very high | 96.5 | Very high | 29 Ų | 29 | 9.5 Ų | 9.5 | 13% | 0.127 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -166.7 | 177.6 | -177.7 | 57.5 | -90.7 | 0 | 0 | 0 | 113.1 | L94 A97 T102 N308 A309 D399 Q400 | L94-F397 HydrophobicContact CD2-CD2 4.29Å; L94-F397 HydrophobicContact CD2-CE1 4.1Å; L94-F397 HydrophobicContact CD2-CE2 3.65Å; L94-F397 HydrophobicContact CD2-CZ 3.55Å; A97-F397 HydrophobicContact CB-CB 4.48Å; A97-F397 HydrophobicContact CB-CD1 3.57Å; A97-F397 HydrophobicContact CB-CE1 4.16Å; A97-F397 HydrophobicContact CB-CG 4.34Å; T102-F397 HydrophobicContact CG2-CB 4.04Å; N308-F397 HydrophobicContact CB-CZ 4.21Å; A309-F397 HydrophobicContact CB-CE1 4.19Å; F397-D399 PolarHBondContact O-N 2.93Å; F397-Q400 VanDerWaalsContact CE2-NE2 3.34Å; F397-Q400 VanDerWaalsContact CZ-NE2 3.31Å; F397-Q400 VanDerWaalsContact N-OE1 3.12Å; F397-Q400 WeakPolarHBondContact O-CB 3.48Å; F397-Q400 WeakPolarHBondContact O-CG 3.42Å; F397-Q400 PolarHBondContact O-N 3.23Å; F397-Q400 PolarHBondContact O-NE2 2.78Å; F397-Q400 PolarHBondContact O-OE1 3.38Å |
| 398 | A | 90.8 | Very high | 96.6 | Very high | 45 Ų | 45 | 13.4 Ų | 13.4 | 37% | 0.372 | 7% | 0.074 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | -130.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q194 Q400 | Q194-A398 WeakPolarHBondContact CA-O 3.3Å; A398-Q400 VanDerWaalsContact C-N 3.3Å; A398-Q400 PolarHBondContact O-N 2.88Å |
| 399 | D | 93.4 | Very high | 96.7 | Very high | 31 Ų | 31 | 17.5 Ų | 17.5 | 17% | 0.166 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 4.2 | -175.1 | 68.1 | -30 | 0 | 0 | 0 | 113.9 | T193 F397 G401 R402 N403 | T193-D399 HydrophobicContact CG2-CB 4.26Å; T193-D399 VanDerWaalsContact O-CA 3.28Å; T193-D399 WeakPolarHBondContact O-CA 3.15Å; T193-D399 WeakPolarHBondContact O-CB 3.48Å; F397-D399 PolarHBondContact O-N 2.93Å; D399-G401 PolarHBondContact O-N 3.06Å; D399-R402 PolarHBondContact O-N 2.87Å; D399-N403 WeakPolarHBondContact O-CB 3.4Å; D399-N403 PolarHBondContact O-N 2.89Å; D399-N403 PolarHBondContact O-ND2 3.04Å; D399-N403 PolarHBondContact OD2-ND2 3.37Å |
| 400 | Q | 95.9 | Very high | 96.7 | Very high | 6 Ų | 6 | 19.1 Ų | 19.1 | 3% | 0.028 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.6 | -38.3 | -171.9 | -61.8 | 169.7 | 15.6 | 0 | 0 | 112.5 | H375 P395 F397 A398 N403 A404 | H375-Q400 PolarHBondContact CD2-NE2 3.05Å; H375-Q400 VanDerWaalsContact CD2-NE2 3.33Å; H375-Q400 WeakPolarHBondContact O-CB 3.33Å; P395-Q400 HydrophobicContact CB-CB 4.1Å; F397-Q400 VanDerWaalsContact CE2-NE2 3.34Å; F397-Q400 VanDerWaalsContact CZ-NE2 3.31Å; F397-Q400 VanDerWaalsContact N-OE1 3.12Å; F397-Q400 WeakPolarHBondContact O-CB 3.48Å; F397-Q400 WeakPolarHBondContact O-CG 3.42Å; F397-Q400 PolarHBondContact O-N 3.23Å; F397-Q400 PolarHBondContact O-NE2 2.78Å; F397-Q400 PolarHBondContact O-OE1 3.38Å; A398-Q400 VanDerWaalsContact C-N 3.3Å; A398-Q400 PolarHBondContact O-N 2.88Å; Q400-N403 PolarHBondContact O-N 3.28Å; Q400-A404 VanDerWaalsContact O-CB 3.22Å; Q400-A404 WeakPolarHBondContact O-CB 3.46Å; Q400-A404 PolarHBondContact O-N 3.18Å |
| 401 | G | 95.4 | Very high | 96.6 | Very high | 5 Ų | 5 | 19.8 Ų | 19.8 | 5% | 0.052 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.9 | -50.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S195 D399 N403 A404 Q405 | S195-G401 CarbonylContact O-C 3.57Å; D399-G401 PolarHBondContact O-N 3.06Å; G401-N403 PolarHBondContact O-N 2.67Å; G401-A404 WeakPolarHBondContact O-CB 3.22Å; G401-A404 PolarHBondContact O-N 2.87Å; G401-Q405 WeakPolarHBondContact O-CG 3.19Å; G401-Q405 PolarHBondContact O-N 3.47Å |
| 402 | R | 95.7 | Very high | 96.6 | Very high | 3 Ų | 3 | 20 Ų | 20 | 1% | 0.011 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.5 | -47.5 | 177.6 | -177.5 | -165.4 | 176.9 | -71.2 | 3.2 | 110.8 | N172 P191 G192 S195 D260 F261 D399 A404 Q405 M406 | N172-R402 PolarHBondContact ND2-NH1 2.97Å; N172-R402 VanDerWaalsContact ND2-NH1 3.16Å; P191-R402 HydrophobicContact CB-CG 4.29Å; G192-R402 WeakPolarHBondContact O-CD 3.48Å; S195-R402 VanDerWaalsContact O-CA 3.3Å; S195-R402 WeakPolarHBondContact O-CA 3.34Å; S195-R402 WeakPolarHBondContact O-CB 3.26Å; S195-R402 PolarHBondContact O-N 2.95Å; D260-R402 VanDerWaalsContact CG-NH2 3.3Å; D260-R402 IonicContact OD1-CZ 2.95Å; D260-R402 VanDerWaalsContact OD1-CZ 3.28Å; D260-R402 IonicContact OD1-NH1 3.4Å; D260-R402 PolarHBondContact OD1-NH1 3.37Å; D260-R402 IonicContact OD1-NH2 3.96Å; D260-R402 PolarHBondContact OD1-NH2 3.4Å; D260-R402 IonicContact OD2-CZ 2.73Å; D260-R402 IonicContact OD2-NH1 3.57Å; D260-R402 IonicContact OD2-NH2 3.76Å; D260-R402 PolarHBondContact OD2-NH2 3.35Å; F261-R402 HydrophobicContact CE2-CG 4.2Å; D399-R402 PolarHBondContact O-N 2.87Å; R402-A404 VanDerWaalsContact C-N 3.32Å; R402-A404 PolarHBondContact O-N 3.3Å; R402-Q405 PolarHBondContact O-N 2.97Å; R402-M406 VanDerWaalsContact O-CB 3.27Å; R402-M406 WeakPolarHBondContact O-CB 3.44Å; R402-M406 PolarHBondContact O-N 2.79Å |
| 403 | N | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.2 | -36.8 | -179.8 | -67.3 | -24 | 0 | 0 | 0 | 112.2 | N172 G376 L378 V381 D399 Q400 G401 M406 L407 | N172-N403 PolarHBondContact ND2-OD1 3.21Å; G376-N403 WeakPolarHBondContact O-CB 3.47Å; G376-N403 PolarHBondContact O-ND2 3.14Å; L378-N403 PolarHBondContact N-ND2 3.39Å; V381-N403 HydrophobicContact CG2-CB 4.23Å; D399-N403 WeakPolarHBondContact O-CB 3.4Å; D399-N403 PolarHBondContact O-N 2.89Å; D399-N403 PolarHBondContact O-ND2 3.04Å; D399-N403 PolarHBondContact OD2-ND2 3.37Å; Q400-N403 PolarHBondContact O-N 3.28Å; G401-N403 PolarHBondContact O-N 2.67Å; N403-M406 WeakPolarHBondContact O-CB 3.47Å; N403-M406 PolarHBondContact O-N 2.76Å; N403-L407 PolarHBondContact O-N 2.78Å; N403-L407 VanDerWaalsContact O-N 3.09Å |
| 404 | A | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.9 | -45.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | M393 P395 Q400 G401 R402 M406 L407 K408 V415 | M393-A404 HydrophobicContact CB-CB 3.65Å; M393-A404 HydrophobicContact CE-CB 4.33Å; M393-A404 HydrophobicContact CG-CB 4.22Å; P395-A404 HydrophobicContact CG-CB 3.73Å; Q400-A404 VanDerWaalsContact O-CB 3.22Å; Q400-A404 WeakPolarHBondContact O-CB 3.46Å; Q400-A404 PolarHBondContact O-N 3.18Å; G401-A404 WeakPolarHBondContact O-CB 3.22Å; G401-A404 PolarHBondContact O-N 2.87Å; R402-A404 VanDerWaalsContact C-N 3.32Å; R402-A404 PolarHBondContact O-N 3.3Å; A404-M406 VanDerWaalsContact C-N 3.33Å; A404-M406 PolarHBondContact O-N 2.88Å; A404-L407 PolarHBondContact O-N 2.97Å; A404-K408 WeakPolarHBondContact O-CB 3.04Å; A404-K408 PolarHBondContact O-N 2.8Å; A404-V415 HydrophobicContact CB-CG1 3.97Å; A404-V415 HydrophobicContact CB-CG2 3.77Å; A404-V415 WeakPolarHBondContact O-CG2 3.43Å |
| 405 | Q | 97.6 | Very high | 96.6 | Very high | 35 Ų | 35 | 22.6 Ų | 22.6 | 16% | 0.164 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.6 | -36 | 175.5 | -62.6 | -66.1 | -11.9 | 0 | 0 | 112.3 | E196 F261 G401 R402 L407 K408 R409 | E196-Q405 VanDerWaalsContact O-CG 3.23Å; E196-Q405 WeakPolarHBondContact O-CG 3.39Å; E196-Q405 PolarHBondContact O-NE2 3.16Å; F261-Q405 HydrophobicContact CZ-CB 3.94Å; G401-Q405 WeakPolarHBondContact O-CG 3.19Å; G401-Q405 PolarHBondContact O-N 3.47Å; R402-Q405 PolarHBondContact O-N 2.97Å; Q405-L407 VanDerWaalsContact C-N 3.3Å; Q405-L407 PolarHBondContact O-N 2.8Å; Q405-K408 PolarHBondContact O-N 2.88Å; Q405-R409 PolarHBondContact O-N 3.39Å |
| 406 | M | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57.5 | -43.1 | 173.8 | 178.5 | -169.6 | 70.4 | 0 | 0 | 111.1 | L259 D260 F261 L378 V381 R402 N403 A404 R409 H410 | L259-M406 HydrophobicContact CD1-CE 4.36Å; L259-M406 HydrophobicContact CD2-CE 3.95Å; L259-M406 HydrophobicContact CG-CE 3.81Å; L259-M406 HydrophobicContact CG-CG 4.46Å; L259-M406 HydrophobicContact CG-SD 4.12Å; L259-M406 WeakPolarHBondContact O-CG 3.44Å; D260-M406 HydrophobicContact CB-SD 3.95Å; F261-M406 HydrophobicContact CD2-CB 4.26Å; F261-M406 HydrophobicContact CE2-CB 3.66Å; F261-M406 HydrophobicContact CE2-CG 4.38Å; F261-M406 VanDerWaalsContact CZ-CA 3.45Å; F261-M406 HydrophobicContact CZ-CB 4.02Å; F261-M406 VanDerWaalsContact CZ-N 3.33Å; L378-M406 HydrophobicContact CD1-CE 4.16Å; V381-M406 HydrophobicContact CG1-CE 3.43Å; V381-M406 VanDerWaalsContact CG1-CE 3.43Å; R402-M406 VanDerWaalsContact O-CB 3.27Å; R402-M406 WeakPolarHBondContact O-CB 3.44Å; R402-M406 PolarHBondContact O-N 2.79Å; N403-M406 WeakPolarHBondContact O-CB 3.47Å; N403-M406 PolarHBondContact O-N 2.76Å; A404-M406 VanDerWaalsContact C-N 3.33Å; A404-M406 PolarHBondContact O-N 2.88Å; M406-R409 WeakPolarHBondContact O-CD 3.44Å; M406-R409 WeakPolarHBondContact O-CG 3.31Å; M406-H410 PolarHBondContact O-CD2 3.48Å; M406-H410 VanDerWaalsContact O-CD2 3.29Å |
| 407 | L | 98.2 | Very high | 96.6 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -75.7 | -43 | 177.1 | -176.1 | 66.5 | 0 | 0 | 0 | 112.3 | L259 V381 L384 A385 A391 M393 N403 A404 Q405 R409 H410 A413 L447 | L259-L407 HydrophobicContact CD1-CD1 4.23Å; V381-L407 HydrophobicContact CG1-CB 4.16Å; V381-L407 HydrophobicContact CG1-CD2 4.49Å; L384-L407 HydrophobicContact CD1-CD1 4.03Å; L384-L407 HydrophobicContact CD1-CD2 3.36Å; L384-L407 HydrophobicContact CD1-CG 4.32Å; L384-L407 HydrophobicContact CD2-CD2 4.16Å; L384-L407 HydrophobicContact CG-CD2 4.29Å; A385-L407 HydrophobicContact CB-CD1 4.1Å; A391-L407 HydrophobicContact CB-CD2 4.17Å; M393-L407 HydrophobicContact CE-CD2 4.31Å; M393-L407 HydrophobicContact CG-CD2 4.44Å; M393-L407 HydrophobicContact SD-CD2 3.98Å; N403-L407 PolarHBondContact O-N 2.78Å; N403-L407 VanDerWaalsContact O-N 3.09Å; A404-L407 PolarHBondContact O-N 2.97Å; Q405-L407 VanDerWaalsContact C-N 3.3Å; Q405-L407 PolarHBondContact O-N 2.8Å; L407-R409 PolarHBondContact O-N 3.3Å; L407-R409 VanDerWaalsContact O-N 3.13Å; L407-H410 WeakPolarHBondContact O-CB 3.49Å; L407-H410 PolarHBondContact O-N 2.97Å; L407-A413 HydrophobicContact CB-CB 4.48Å; L407-A413 HydrophobicContact CD2-CB 3.66Å; L407-A413 HydrophobicContact CG-CB 3.8Å; L407-L447 HydrophobicContact CD1-CD2 3.96Å |
| 408 | K | 98.2 | Very high | 96.8 | Very high | 92 Ų | 92 | 28.5 Ų | 28.5 | 40% | 0.4 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -51.7 | -38.5 | -178.2 | -179.9 | -176.8 | 173.5 | -179.9 | 0 | 113 | A404 Q405 H410 G411 V415 | A404-K408 WeakPolarHBondContact O-CB 3.04Å; A404-K408 PolarHBondContact O-N 2.8Å; Q405-K408 PolarHBondContact O-N 2.88Å; K408-H410 PolarHBondContact O-N 3.47Å; K408-H410 VanDerWaalsContact O-N 3.13Å; K408-G411 PolarHBondContact O-N 2.94Å; K408-V415 HydrophobicContact CB-CG2 3.81Å; K408-V415 HydrophobicContact CD-CB 4.24Å; K408-V415 HydrophobicContact CD-CG2 3.75Å; K408-V415 HydrophobicContact CG-CG2 4.22Å |
| 409 | R | 97.3 | Very high | 97 | Very high | 92 Ų | 92 | 31.1 Ų | 31.1 | 35% | 0.347 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -25.8 | -178.2 | 78.6 | -173.1 | -69.4 | 81.7 | 3 | 114.5 | D199 Q405 M406 L407 G411 | D199-R409 IonicContact OD1-CZ 3.44Å; D199-R409 IonicContact OD1-NH1 3.13Å; D199-R409 PolarHBondContact OD1-NH1 3.23Å; D199-R409 IonicContact OD1-NH2 3.07Å; D199-R409 IonicContact OD2-CZ 3.72Å; D199-R409 IonicContact OD2-NH1 3.37Å; D199-R409 PolarHBondContact OD2-NH1 2.96Å; D199-R409 IonicContact OD2-NH2 2.9Å; D199-R409 PolarHBondContact OD2-NH2 3.29Å; Q405-R409 PolarHBondContact O-N 3.39Å; M406-R409 WeakPolarHBondContact O-CD 3.44Å; M406-R409 WeakPolarHBondContact O-CG 3.31Å; L407-R409 PolarHBondContact O-N 3.3Å; L407-R409 VanDerWaalsContact O-N 3.13Å; R409-G411 PolarHBondContact O-N 3.27Å |
| 410 | H | 98.1 | Very high | 97.1 | Very high | 41 Ų | 41 | 32 Ų | 32 | 19% | 0.19 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -9 | 178 | -65.1 | -77.1 | 0 | 0 | 0 | 111.8 | L258 L259 M406 L407 K408 G412 N443 L447 | L258-H410 PolarHBondContact O-CE1 3.3Å; L259-H410 PolarHBondContact O-NE2 3.42Å; M406-H410 PolarHBondContact O-CD2 3.48Å; M406-H410 VanDerWaalsContact O-CD2 3.29Å; L407-H410 WeakPolarHBondContact O-CB 3.49Å; L407-H410 PolarHBondContact O-N 2.97Å; K408-H410 PolarHBondContact O-N 3.47Å; K408-H410 VanDerWaalsContact O-N 3.13Å; H410-G412 VanDerWaalsContact C-N 3.33Å; H410-N443 VanDerWaalsContact O-CB 3.26Å; H410-N443 WeakPolarHBondContact O-CB 3.36Å; H410-L447 HydrophobicContact CB-CD2 3.92Å |
| 411 | G | 97.9 | Very high | 97.2 | Very high | 18 Ų | 18 | 31.7 Ų | 31.7 | 19% | 0.186 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | 9.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | K408 R409 Y440 N443 | K408-G411 PolarHBondContact O-N 2.94Å; R409-G411 PolarHBondContact O-N 3.27Å; G411-Y440 WeakPolarHBondContact O-CD1 3.46Å; G411-N443 PolarHBondContact O-ND2 2.96Å; G411-N443 VanDerWaalsContact O-ND2 3.09Å |
| 412 | G | 97.7 | Very high | 97.2 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 3% | 0.031 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -97.8 | -1.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | P390 A391 H410 S444 | P390-G412 VanDerWaalsContact CA-O 3.3Å; P390-G412 WeakPolarHBondContact CA-O 3.38Å; A391-G412 PolarHBondContact N-O 2.86Å; A391-G412 VanDerWaalsContact N-O 3.08Å; H410-G412 VanDerWaalsContact C-N 3.33Å; G412-S444 VanDerWaalsContact CA-OG 3.31Å; G412-S444 WeakPolarHBondContact CA-OG 3.3Å; G412-S444 PolarHBondContact O-OG 3.14Å |
| 413 | A | 98.6 | Very high | 97.3 | Very high | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.033 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 153 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A391 M393 L407 | A391-A413 HydrophobicContact CB-CB 4.07Å; A391-A413 CarbonylContact O-C 3.58Å; A391-A413 WeakPolarHBondContact O-CA 3.5Å; M393-A413 HydrophobicContact CG-CB 4.1Å; L407-A413 HydrophobicContact CB-CB 4.48Å; L407-A413 HydrophobicContact CD2-CB 3.66Å; L407-A413 HydrophobicContact CG-CB 3.8Å |
| 414 | V | 98.5 | Very high | 97.4 | Very high | 24 Ų | 24 | 38.1 Ų | 38.1 | 15% | 0.145 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 143.6 | 166.6 | -179.5 | 0 | 0 | 0 | 0 | 108.4 | A391 M393 I416 T430 V434 Y440 | A391-V414 PolarHBondContact O-N 2.88Å; M393-V414 PolarHBondContact N-O 3.41Å; V414-I416 HydrophobicContact CG1-CG2 3.94Å; V414-T430 HydrophobicContact CB-CG2 4.38Å; V414-T430 HydrophobicContact CG1-CG2 4.07Å; V414-V434 HydrophobicContact CB-CG2 4.32Å; V414-V434 HydrophobicContact CG2-CG2 3.62Å; V414-Y440 HydrophobicContact CG2-CE1 3.51Å; V414-Y440 VanDerWaalsContact CG2-OH 3.32Å; V414-Y440 WeakPolarHBondContact CG2-OH 3.48Å |
| 415 | V | 98.2 | Very high | 97.4 | Very high | 27 Ų | 27 | 43.8 Ų | 43.8 | 16% | 0.164 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 129.6 | 173.4 | -175.6 | 0 | 0 | 0 | 0 | 107.2 | M393 P395 A404 K408 | M393-V415 HydrophobicContact CB-CG2 4.17Å; M393-V415 WeakPolarHBondContact O-CA 3.17Å; P395-V415 HydrophobicContact CG-CG1 4.08Å; A404-V415 HydrophobicContact CB-CG1 3.97Å; A404-V415 HydrophobicContact CB-CG2 3.77Å; A404-V415 WeakPolarHBondContact O-CG2 3.43Å; K408-V415 HydrophobicContact CB-CG2 3.81Å; K408-V415 HydrophobicContact CD-CB 4.24Å; K408-V415 HydrophobicContact CD-CG2 3.75Å; K408-V415 HydrophobicContact CG-CG2 4.22Å |
| 416 | I | 97.1 | Very high | 97.4 | Very high | 7 Ų | 7 | 45.2 Ų | 45.2 | 4% | 0.036 | 23% | 0.229 | C | C | . | . | trans | -125.4 | 149.3 | 178.4 | 64.5 | 172.3 | 0 | 0 | 0 | 110 | V392 M393 I394 V414 F426 M427 T430 | V392-I416 HydrophobicContact CG1-CD1 3.86Å; V392-I416 HydrophobicContact CG1-CG1 4.16Å; M393-I416 PolarHBondContact O-N 3.13Å; I394-I416 HydrophobicContact CB-CG1 4.27Å; I394-I416 HydrophobicContact CD1-CD1 3.69Å; I394-I416 HydrophobicContact CD1-CG1 4.14Å; I394-I416 HydrophobicContact CG1-CD1 3.76Å; I394-I416 HydrophobicContact CG1-CG1 3.63Å; I394-I416 HydrophobicContact CG2-CG1 4.23Å; V414-I416 HydrophobicContact CG1-CG2 3.94Å; I416-F426 HydrophobicContact CB-CE1 3.94Å; I416-F426 HydrophobicContact CB-CZ 4.4Å; I416-F426 HydrophobicContact CD1-CE1 4.38Å; I416-F426 HydrophobicContact CG2-CE1 3.62Å; I416-F426 HydrophobicContact CG2-CZ 3.81Å; I416-M427 HydrophobicContact CD1-CE 3.91Å; I416-M427 HydrophobicContact CD1-SD 3.28Å; I416-M427 WeakPolarHBondContact CD1-SD 3.33Å; I416-T430 HydrophobicContact CG2-CG2 4.13Å | ||
| 417 | E | 95.1 | Very high | 97.5 | Very high | 136 Ų | 136 | 45.2 Ų | 45.2 | 64% | 0.636 | 23% | 0.229 | S | C | * | . | trans | -72.5 | 141.9 | 175.1 | -64.3 | 176.3 | -163 | 0 | 0 | 109.5 | N419 N420 | E417-N419 PolarHBondContact O-N 2.9Å; E417-N419 VanDerWaalsContact O-N 3.15Å; E417-N420 WeakPolarHBondContact O-CB 3.28Å; E417-N420 PolarHBondContact O-N 3.17Å | ||
| 418 | K | 95.3 | Very high | 97.5 | Very high | 28 Ų | 28 | 48 Ų | 48 | 12% | 0.122 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -57.7 | -33.8 | -175.1 | 71.8 | -175.1 | -179.8 | -170.5 | 0 | 113.7 | A97 E100 I394 L396 N420 L421 | A97-K418 PolarHBondContact O-NZ 3.45Å; E100-K418 PolarHBondContact O-NZ 2.95Å; I394-K418 HydrophobicContact CG2-CB 4.1Å; L396-K418 HydrophobicContact CD2-CB 3.93Å; L396-K418 HydrophobicContact CD2-CD 4.1Å; K418-N420 PolarHBondContact O-N 3.45Å; K418-L421 WeakPolarHBondContact O-CB 3.43Å; K418-L421 WeakPolarHBondContact O-CG 3.46Å; K418-L421 PolarHBondContact O-N 3.3Å |
| 419 | N | 94.8 | Very high | 97.5 | Very high | 99 Ų | 99 | 48.5 Ų | 48.5 | 53% | 0.529 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -67.2 | -21.3 | 179.1 | -66.5 | -24.4 | 0 | 0 | 0 | 112.3 | E417 L421 A422 | E417-N419 PolarHBondContact O-N 2.9Å; E417-N419 VanDerWaalsContact O-N 3.15Å; N419-L421 PolarHBondContact O-N 3.24Å; N419-A422 WeakPolarHBondContact O-CB 3.24Å; N419-A422 PolarHBondContact O-N 3.15Å |
| 420 | N | 96.7 | Very high | 97.6 | Very high | 49 Ų | 49 | 44.6 Ų | 44.6 | 26% | 0.262 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -71.6 | -8.8 | 172.8 | -57.4 | 140.9 | 0 | 0 | 0 | 112.9 | E417 K418 A422 D423 F426 M427 | E417-N420 WeakPolarHBondContact O-CB 3.28Å; E417-N420 PolarHBondContact O-N 3.17Å; K418-N420 PolarHBondContact O-N 3.45Å; N420-A422 PolarHBondContact O-N 3.09Å; N420-D423 PolarHBondContact O-N 2.85Å; N420-F426 HydrophobicContact CB-CD1 3.63Å; N420-F426 HydrophobicContact CB-CE1 3.62Å; N420-M427 WeakPolarHBondContact O-CG 3.49Å |
| 421 | L | 96.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -59 | -27.7 | 167.6 | -80.8 | 170.6 | 0 | 0 | 0 | 112.4 | W98 M314 F318 S321 L322 I394 K418 N419 D423 M427 | W98-L421 HydrophobicContact CZ3-CD1 3.76Å; M314-L421 HydrophobicContact CE-CD1 4.42Å; F318-L421 HydrophobicContact CB-CB 3.97Å; F318-L421 HydrophobicContact CD1-CB 3.91Å; F318-L421 HydrophobicContact CD2-CB 3.92Å; F318-L421 HydrophobicContact CD2-CD1 3.83Å; F318-L421 HydrophobicContact CE1-CB 4.4Å; F318-L421 HydrophobicContact CE2-CB 4.42Å; F318-L421 HydrophobicContact CE2-CD1 4.31Å; F318-L421 HydrophobicContact CG-CB 3.66Å; F318-L421 HydrophobicContact CG-CD1 4.34Å; S321-L421 WeakPolarHBondContact CB-O 3.28Å; S321-L421 PolarHBondContact OG-O 3.18Å; L322-L421 HydrophobicContact CD2-CD2 4.27Å; I394-L421 HydrophobicContact CD1-CD1 4.36Å; I394-L421 HydrophobicContact CD1-CD2 3.5Å; I394-L421 HydrophobicContact CD1-CG 4.01Å; I394-L421 HydrophobicContact CG2-CD1 3.97Å; I394-L421 HydrophobicContact CG2-CG 4.13Å; K418-L421 WeakPolarHBondContact O-CB 3.43Å; K418-L421 WeakPolarHBondContact O-CG 3.46Å; K418-L421 PolarHBondContact O-N 3.3Å; N419-L421 PolarHBondContact O-N 3.24Å; L421-D423 VanDerWaalsContact C-N 3.26Å; L421-D423 PolarHBondContact O-N 2.79Å; L421-M427 HydrophobicContact CD2-CE 3.94Å; L421-M427 HydrophobicContact CD2-SD 4.03Å |
| 422 | A | 97 | Very high | 97.6 | Very high | 26 Ų | 26 | 44.5 Ų | 44.5 | 22% | 0.215 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -72.1 | -18.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E317 F318 N419 N420 T424 | E317-A422 HydrophobicContact CG-CB 3.64Å; E317-A422 VanDerWaalsContact OE1-CB 3.3Å; E317-A422 WeakPolarHBondContact OE1-CB 3.22Å; F318-A422 HydrophobicContact CD1-CB 3.85Å; F318-A422 HydrophobicContact CE1-CB 3.9Å; N419-A422 WeakPolarHBondContact O-CB 3.24Å; N419-A422 PolarHBondContact O-N 3.15Å; N420-A422 PolarHBondContact O-N 3.09Å; A422-T424 PolarHBondContact O-N 2.86Å |
| 423 | D | 98 | Very high | 97.7 | Very high | 73 Ų | 73 | 49.8 Ų | 49.8 | 39% | 0.39 | 25% | 0.248 | S | C | . | . | trans | -92.5 | 94.3 | -177.9 | -174.1 | -22.7 | 0 | 0 | 0 | 110.6 | N420 L421 H425 F426 M427 | N420-D423 PolarHBondContact O-N 2.85Å; L421-D423 VanDerWaalsContact C-N 3.26Å; L421-D423 PolarHBondContact O-N 2.79Å; D423-H425 PolarHBondContact O-N 3.29Å; D423-H425 PolarHBondContact OD1-N 3.35Å; D423-H425 VanDerWaalsContact OD1-N 3.07Å; D423-F426 HydrophobicContact CB-CB 3.84Å; D423-F426 PolarHBondContact O-N 3.32Å; D423-F426 PolarHBondContact OD1-N 3Å; D423-M427 WeakPolarHBondContact O-CB 3.19Å; D423-M427 WeakPolarHBondContact O-CG 3.14Å; D423-M427 PolarHBondContact O-N 3.37Å | ||
| 424 | T | 98.3 | Very high | 97.7 | Very high | 44 Ų | 44 | 49.8 Ų | 49.8 | 27% | 0.27 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -52 | -42.3 | 178.9 | -54.7 | 0 | 0 | 0 | 0 | 112.5 | S321 D324 V325 A422 K428 | S321-T424 WeakPolarHBondContact CA-OG1 3.47Å; S321-T424 WeakPolarHBondContact OG-CA 3.48Å; S321-T424 PolarHBondContact OG-N 2.88Å; S321-T424 PolarHBondContact OG-OG1 3.15Å; D324-T424 HydrophobicContact CB-CG2 3.51Å; V325-T424 HydrophobicContact CG2-CG2 3.97Å; V325-T424 WeakPolarHBondContact CG2-O 3.38Å; A422-T424 PolarHBondContact O-N 2.86Å; T424-K428 WeakPolarHBondContact O-CB 3.33Å; T424-K428 PolarHBondContact O-N 3.47Å |
| 425 | H | 98.3 | Very high | 97.7 | Very high | 120 Ų | 120 | 50.5 Ų | 50.5 | 56% | 0.556 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -69.4 | -49.4 | -176.2 | -178.2 | -89.9 | 0 | 0 | 0 | 110.3 | D423 M427 K428 E429 | D423-H425 PolarHBondContact O-N 3.29Å; D423-H425 PolarHBondContact OD1-N 3.35Å; D423-H425 VanDerWaalsContact OD1-N 3.07Å; H425-M427 VanDerWaalsContact C-N 3.33Å; H425-M427 PolarHBondContact O-N 3.46Å; H425-K428 PolarHBondContact O-N 3.38Å; H425-E429 IonicContact CE1-OE1 3.41Å; H425-E429 PolarHBondContact CE1-OE1 2.97Å; H425-E429 IonicContact CE1-OE2 3.82Å; H425-E429 PolarHBondContact CE1-OE2 3.47Å; H425-E429 VanDerWaalsContact CE1-OE2 3.32Å; H425-E429 IonicContact ND1-OE1 2.69Å; H425-E429 IonicContact ND1-OE2 2.99Å; H425-E429 PolarHBondContact ND1-OE2 3.45Å; H425-E429 IonicContact NE2-OE1 2.96Å; H425-E429 WeakPolarHBondContact O-CG 3.32Å; H425-E429 PolarHBondContact O-N 2.87Å |
| 426 | F | 98.5 | Very high | 97.7 | Very high | 64 Ų | 64 | 55.8 Ų | 55.8 | 28% | 0.281 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.6 | -41.7 | 177.9 | 177.9 | -95.5 | 0 | 0 | 0 | 112.5 | I416 N420 D423 E429 T430 | I416-F426 HydrophobicContact CB-CE1 3.94Å; I416-F426 HydrophobicContact CB-CZ 4.4Å; I416-F426 HydrophobicContact CD1-CE1 4.38Å; I416-F426 HydrophobicContact CG2-CE1 3.62Å; I416-F426 HydrophobicContact CG2-CZ 3.81Å; N420-F426 HydrophobicContact CB-CD1 3.63Å; N420-F426 HydrophobicContact CB-CE1 3.62Å; D423-F426 HydrophobicContact CB-CB 3.84Å; D423-F426 PolarHBondContact O-N 3.32Å; D423-F426 PolarHBondContact OD1-N 3Å; F426-E429 PolarHBondContact O-N 3.3Å; F426-T430 VanDerWaalsContact O-CB 3.29Å; F426-T430 WeakPolarHBondContact O-CB 3.48Å; F426-T430 PolarHBondContact O-N 2.9Å; F426-T430 PolarHBondContact O-OG1 2.8Å |
| 427 | M | 98.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63 | -44.9 | 177.3 | -76.5 | -55.2 | -55.6 | 0 | 0 | 112 | L322 V325 I394 I416 N420 L421 D423 H425 T430 L431 | L322-M427 HydrophobicContact CD2-CE 4.41Å; V325-M427 HydrophobicContact CG2-CB 3.77Å; I394-M427 HydrophobicContact CD1-CE 4.25Å; I416-M427 HydrophobicContact CD1-CE 3.91Å; I416-M427 HydrophobicContact CD1-SD 3.28Å; I416-M427 WeakPolarHBondContact CD1-SD 3.33Å; N420-M427 WeakPolarHBondContact O-CG 3.49Å; L421-M427 HydrophobicContact CD2-CE 3.94Å; L421-M427 HydrophobicContact CD2-SD 4.03Å; D423-M427 WeakPolarHBondContact O-CB 3.19Å; D423-M427 WeakPolarHBondContact O-CG 3.14Å; D423-M427 PolarHBondContact O-N 3.37Å; H425-M427 VanDerWaalsContact C-N 3.33Å; H425-M427 PolarHBondContact O-N 3.46Å; M427-T430 PolarHBondContact O-N 3.24Å; M427-L431 WeakPolarHBondContact O-CG 3.44Å; M427-L431 PolarHBondContact O-N 2.96Å |
| 428 | K | 98.5 | Very high | 97.9 | Very high | 61 Ų | 61 | 55.6 Ų | 55.6 | 27% | 0.265 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.9 | -51.6 | 175.4 | -177.4 | -175 | -177 | 162.4 | 0 | 111.4 | V325 S328 M329 T424 H425 T430 L431 E432 | V325-K428 HydrophobicContact CG2-CB 4.34Å; S328-K428 PolarHBondContact O-NZ 2.86Å; S328-K428 WeakPolarHBondContact OG-CD 3.43Å; S328-K428 PolarHBondContact OG-NZ 2.79Å; M329-K428 HydrophobicContact CG-CG 4.38Å; M329-K428 HydrophobicContact SD-CG 4.21Å; T424-K428 WeakPolarHBondContact O-CB 3.33Å; T424-K428 PolarHBondContact O-N 3.47Å; H425-K428 PolarHBondContact O-N 3.38Å; K428-T430 VanDerWaalsContact C-N 3.27Å; K428-T430 PolarHBondContact O-N 3.28Å; K428-L431 PolarHBondContact O-N 3.26Å; K428-E432 WeakPolarHBondContact CE-OE1 3.33Å; K428-E432 HydrophobicContact CG-CG 4.36Å; K428-E432 WeakPolarHBondContact O-CB 3.43Å; K428-E432 WeakPolarHBondContact O-CG 3.09Å; K428-E432 PolarHBondContact O-N 2.9Å |
| 429 | E | 98.5 | Very high | 98 | Very high | 102 Ų | 102 | 59.9 Ų | 59.9 | 48% | 0.477 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.1 | -40.7 | -179.8 | -75.3 | -170 | 141.4 | 0 | 0 | 111.8 | H425 F426 E432 K433 | H425-E429 IonicContact CE1-OE1 3.41Å; H425-E429 PolarHBondContact CE1-OE1 2.97Å; H425-E429 IonicContact CE1-OE2 3.82Å; H425-E429 PolarHBondContact CE1-OE2 3.47Å; H425-E429 VanDerWaalsContact CE1-OE2 3.32Å; H425-E429 IonicContact ND1-OE1 2.69Å; H425-E429 IonicContact ND1-OE2 2.99Å; H425-E429 PolarHBondContact ND1-OE2 3.45Å; H425-E429 IonicContact NE2-OE1 2.96Å; H425-E429 WeakPolarHBondContact O-CG 3.32Å; H425-E429 PolarHBondContact O-N 2.87Å; F426-E429 PolarHBondContact O-N 3.3Å; E429-E432 PolarHBondContact O-N 3.07Å; E429-K433 WeakPolarHBondContact O-CB 3.41Å; E429-K433 PolarHBondContact O-N 2.87Å |
| 430 | T | 98.7 | Very high | 98.2 | Very high | 10 Ų | 10 | 56.2 Ų | 56.2 | 6% | 0.061 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.6 | -47.3 | 177.5 | -63.2 | 0 | 0 | 0 | 0 | 111.4 | V392 V414 I416 F426 M427 K428 K433 V434 | V392-T430 HydrophobicContact CG1-CG2 4.06Å; V392-T430 HydrophobicContact CG2-CG2 3.94Å; V414-T430 HydrophobicContact CB-CG2 4.38Å; V414-T430 HydrophobicContact CG1-CG2 4.07Å; I416-T430 HydrophobicContact CG2-CG2 4.13Å; F426-T430 VanDerWaalsContact O-CB 3.29Å; F426-T430 WeakPolarHBondContact O-CB 3.48Å; F426-T430 PolarHBondContact O-N 2.9Å; F426-T430 PolarHBondContact O-OG1 2.8Å; M427-T430 PolarHBondContact O-N 3.24Å; K428-T430 VanDerWaalsContact C-N 3.27Å; K428-T430 PolarHBondContact O-N 3.28Å; T430-K433 PolarHBondContact O-N 3.42Å; T430-V434 WeakPolarHBondContact O-CG2 3.46Å; T430-V434 PolarHBondContact O-N 2.84Å |
| 431 | L | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.6 | -47.1 | 176.8 | -76.6 | 170.8 | 0 | 0 | 0 | 111.7 | V301 V325 M329 F334 V371 V373 V392 M427 K428 K433 V434 I435 | V301-L431 HydrophobicContact CG1-CD2 4.17Å; V301-L431 HydrophobicContact CG2-CD2 4.44Å; V325-L431 HydrophobicContact CG1-CD1 3.83Å; M329-L431 HydrophobicContact CE-CB 4.4Å; M329-L431 HydrophobicContact SD-CD1 4.46Å; F334-L431 HydrophobicContact CE1-CD1 4.21Å; V371-L431 HydrophobicContact CG1-CD2 4.31Å; V373-L431 HydrophobicContact CG2-CD2 3.75Å; V392-L431 HydrophobicContact CG2-CD2 4.19Å; M427-L431 WeakPolarHBondContact O-CG 3.44Å; M427-L431 PolarHBondContact O-N 2.96Å; K428-L431 PolarHBondContact O-N 3.26Å; L431-K433 VanDerWaalsContact C-N 3.3Å; L431-K433 PolarHBondContact O-N 3.2Å; L431-V434 PolarHBondContact O-N 2.94Å; L431-I435 WeakPolarHBondContact O-CB 3.32Å; L431-I435 WeakPolarHBondContact O-CD1 3.4Å; L431-I435 WeakPolarHBondContact O-CG1 3.39Å; L431-I435 PolarHBondContact O-N 2.87Å |
| 432 | E | 98.5 | Very high | 98.4 | Very high | 55 Ų | 55 | 63.2 Ų | 63.2 | 26% | 0.257 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.5 | -40.5 | 177.7 | -74.4 | -167.8 | 176.2 | 0 | 0 | 112.1 | M329 K428 E429 I435 K436 | M329-E432 HydrophobicContact CE-CG 4.04Å; K428-E432 WeakPolarHBondContact CE-OE1 3.33Å; K428-E432 HydrophobicContact CG-CG 4.36Å; K428-E432 WeakPolarHBondContact O-CB 3.43Å; K428-E432 WeakPolarHBondContact O-CG 3.09Å; K428-E432 PolarHBondContact O-N 2.9Å; E429-E432 PolarHBondContact O-N 3.07Å; E432-I435 PolarHBondContact O-N 2.84Å; E432-K436 HydrophobicContact CB-CD 4.27Å; E432-K436 VanDerWaalsContact CD-NZ 3.28Å; E432-K436 WeakPolarHBondContact O-CB 3.26Å; E432-K436 WeakPolarHBondContact O-CG 3.35Å; E432-K436 PolarHBondContact O-N 3.17Å; E432-K436 IonicContact OE1-NZ 3.83Å; E432-K436 IonicContact OE2-NZ 2.69Å; E432-K436 PolarHBondContact OE2-NZ 2.85Å |
| 433 | K | 98.6 | Very high | 98.5 | Very high | 114 Ų | 114 | 63.7 Ų | 63.7 | 50% | 0.496 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.1 | -49.6 | 176 | -176.9 | -171.1 | -172.9 | -171 | 0 | 111.4 | E429 T430 L431 I435 K436 D437 Y440 | E429-K433 WeakPolarHBondContact O-CB 3.41Å; E429-K433 PolarHBondContact O-N 2.87Å; T430-K433 PolarHBondContact O-N 3.42Å; L431-K433 VanDerWaalsContact C-N 3.3Å; L431-K433 PolarHBondContact O-N 3.2Å; K433-I435 VanDerWaalsContact C-N 3.33Å; K433-I435 PolarHBondContact O-N 3.09Å; K433-K436 PolarHBondContact O-N 3.23Å; K433-D437 VanDerWaalsContact O-CB 3.24Å; K433-D437 WeakPolarHBondContact O-CB 3.23Å; K433-D437 PolarHBondContact O-N 2.81Å; K433-Y440 VanDerWaalsContact CE-OH 3.27Å; K433-Y440 WeakPolarHBondContact CE-OH 3.22Å; K433-Y440 HydrophobicContact CG-CE2 4.16Å |
| 434 | V | 98.7 | Very high | 98.5 | Very high | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.024 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.1 | -34.3 | -178.7 | -177.8 | 0 | 0 | 0 | 0 | 111.6 | V371 P390 V392 V414 T430 L431 Y440 | V371-V434 HydrophobicContact CG1-CG1 4.1Å; V371-V434 HydrophobicContact CG2-CB 4.07Å; V371-V434 HydrophobicContact CG2-CG1 3.6Å; P390-V434 HydrophobicContact CB-CG1 3.6Å; V392-V434 HydrophobicContact CG2-CB 4.47Å; V392-V434 HydrophobicContact CG2-CG2 3.95Å; V414-V434 HydrophobicContact CB-CG2 4.32Å; V414-V434 HydrophobicContact CG2-CG2 3.62Å; T430-V434 WeakPolarHBondContact O-CG2 3.46Å; T430-V434 PolarHBondContact O-N 2.84Å; L431-V434 PolarHBondContact O-N 2.94Å; V434-Y440 HydrophobicContact CB-CD2 4.4Å; V434-Y440 HydrophobicContact CG1-CD1 4.36Å; V434-Y440 HydrophobicContact CG1-CD2 4.39Å; V434-Y440 HydrophobicContact CG1-CG 4.05Å; V434-Y440 HydrophobicContact CG2-CD1 4.44Å; V434-Y440 HydrophobicContact CG2-CD2 4.44Å; V434-Y440 HydrophobicContact CG2-CE1 4.29Å; V434-Y440 HydrophobicContact CG2-CE2 4.29Å |
| 435 | I | 98.4 | Very high | 98.5 | Very high | 38 Ų | 38 | 64 Ų | 64 | 20% | 0.195 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70.6 | -42 | 176 | -69.1 | 165.9 | 0 | 0 | 0 | 111.9 | N299 V301 M329 V371 L431 E432 K433 | N299-I435 HydrophobicContact CB-CD1 4.45Å; N299-I435 HydrophobicContact CB-CG2 4.38Å; V301-I435 HydrophobicContact CG2-CD1 4.06Å; M329-I435 HydrophobicContact CE-CD1 4.06Å; V371-I435 HydrophobicContact CG2-CG1 3.54Å; L431-I435 WeakPolarHBondContact O-CB 3.32Å; L431-I435 WeakPolarHBondContact O-CD1 3.4Å; L431-I435 WeakPolarHBondContact O-CG1 3.39Å; L431-I435 PolarHBondContact O-N 2.87Å; E432-I435 PolarHBondContact O-N 2.84Å; K433-I435 VanDerWaalsContact C-N 3.33Å; K433-I435 PolarHBondContact O-N 3.09Å |
| 436 | K | 98.1 | Very high | 98.5 | Very high | 139 Ų | 139 | 65.5 Ų | 65.5 | 60% | 0.604 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -90.9 | -32.5 | -169.2 | -66.6 | 170.6 | -176.7 | 171.5 | 0 | 113.8 | E432 K433 P438 | E432-K436 HydrophobicContact CB-CD 4.27Å; E432-K436 VanDerWaalsContact CD-NZ 3.28Å; E432-K436 WeakPolarHBondContact O-CB 3.26Å; E432-K436 WeakPolarHBondContact O-CG 3.35Å; E432-K436 PolarHBondContact O-N 3.17Å; E432-K436 IonicContact OE1-NZ 3.83Å; E432-K436 IonicContact OE2-NZ 2.69Å; E432-K436 PolarHBondContact OE2-NZ 2.85Å; K433-K436 PolarHBondContact O-N 3.23Å; K436-P438 VanDerWaalsContact O-CD 3.31Å; K436-P438 WeakPolarHBondContact O-CD 3.28Å |
| 437 | D | 98.5 | Very high | 98.5 | Very high | 61 Ų | 61 | 62.6 Ų | 62.6 | 33% | 0.326 | 29% | 0.291 | S | S | . | . | trans | -80.2 | 110.8 | -179.6 | -177.9 | -7.4 | 0 | 0 | 0 | 110.1 | K433 K439 Y440 | K433-D437 VanDerWaalsContact O-CB 3.24Å; K433-D437 WeakPolarHBondContact O-CB 3.23Å; K433-D437 PolarHBondContact O-N 2.81Å; D437-K439 PolarHBondContact O-N 3Å; D437-K439 WeakPolarHBondContact OD1-CB 3.46Å; D437-K439 PolarHBondContact OD1-N 2.85Å; D437-Y440 HydrophobicContact CB-CD2 3.86Å; D437-Y440 HydrophobicContact CB-CE2 3.9Å; D437-Y440 PolarHBondContact O-N 2.91Å | ||
| 438 | P | 98.1 | Very high | 98.4 | Very high | 77 Ų | 77 | 62.9 Ų | 62.9 | 50% | 0.5 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.8 | -22.5 | -175.5 | 26 | -35.3 | 0 | 0 | 0 | 112.9 | K436 Y440 L441 E442 | K436-P438 VanDerWaalsContact O-CD 3.31Å; K436-P438 WeakPolarHBondContact O-CD 3.28Å; P438-Y440 PolarHBondContact O-N 3.12Å; P438-L441 PolarHBondContact O-N 2.88Å; P438-L441 VanDerWaalsContact O-N 3.14Å; P438-E442 WeakPolarHBondContact O-CB 3.14Å; P438-E442 WeakPolarHBondContact O-CG 3.4Å; P438-E442 PolarHBondContact O-N 2.9Å |
| 439 | K | 98.5 | Very high | 98.3 | Very high | 118 Ų | 118 | 66 Ų | 66 | 51% | 0.513 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -55.1 | -37.8 | 180 | 179.8 | 179.1 | 175.1 | -174.9 | 0 | 112.6 | D437 N443 | D437-K439 PolarHBondContact O-N 3Å; D437-K439 WeakPolarHBondContact OD1-CB 3.46Å; D437-K439 PolarHBondContact OD1-N 2.85Å; K439-N443 WeakPolarHBondContact CG-ND2 3.28Å; K439-N443 WeakPolarHBondContact O-CB 3.29Å; K439-N443 PolarHBondContact O-N 3.05Å; K439-N443 PolarHBondContact O-ND2 2.75Å |
| 440 | Y | 98.8 | Very high | 98.2 | Very high | 23 Ų | 23 | 64 Ų | 64 | 9% | 0.09 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.7 | -46.1 | -180 | -67.1 | -81 | 0 | 0 | 0 | 111.3 | G411 V414 K433 V434 D437 P438 S444 | G411-Y440 WeakPolarHBondContact O-CD1 3.46Å; V414-Y440 HydrophobicContact CG2-CE1 3.51Å; V414-Y440 VanDerWaalsContact CG2-OH 3.32Å; V414-Y440 WeakPolarHBondContact CG2-OH 3.48Å; K433-Y440 VanDerWaalsContact CE-OH 3.27Å; K433-Y440 WeakPolarHBondContact CE-OH 3.22Å; K433-Y440 HydrophobicContact CG-CE2 4.16Å; V434-Y440 HydrophobicContact CB-CD2 4.4Å; V434-Y440 HydrophobicContact CG1-CD1 4.36Å; V434-Y440 HydrophobicContact CG1-CD2 4.39Å; V434-Y440 HydrophobicContact CG1-CG 4.05Å; V434-Y440 HydrophobicContact CG2-CD1 4.44Å; V434-Y440 HydrophobicContact CG2-CD2 4.44Å; V434-Y440 HydrophobicContact CG2-CE1 4.29Å; V434-Y440 HydrophobicContact CG2-CE2 4.29Å; D437-Y440 HydrophobicContact CB-CD2 3.86Å; D437-Y440 HydrophobicContact CB-CE2 3.9Å; D437-Y440 PolarHBondContact O-N 2.91Å; P438-Y440 PolarHBondContact O-N 3.12Å; Y440-S444 WeakPolarHBondContact O-CB 3.26Å; Y440-S444 PolarHBondContact O-N 2.78Å; Y440-S444 PolarHBondContact O-OG 2.99Å; Y440-S444 VanDerWaalsContact O-OG 3.09Å |
| 441 | L | 98.6 | Very high | 98.1 | Very high | 71 Ų | 71 | 63.7 Ų | 63.7 | 37% | 0.372 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68 | -42.8 | 178.7 | -176.1 | 61.6 | 0 | 0 | 0 | 112.2 | P390 P438 S444 K445 | P390-L441 HydrophobicContact CG-CB 4.07Å; P390-L441 HydrophobicContact CG-CD1 3.98Å; P438-L441 PolarHBondContact O-N 2.88Å; P438-L441 VanDerWaalsContact O-N 3.14Å; L441-S444 PolarHBondContact O-N 2.81Å; L441-K445 HydrophobicContact CD1-CD 4.33Å; L441-K445 HydrophobicContact CD1-CG 4.33Å; L441-K445 HydrophobicContact CG-CD 4.16Å; L441-K445 WeakPolarHBondContact O-CB 3.48Å; L441-K445 VanDerWaalsContact O-CG 3.31Å; L441-K445 WeakPolarHBondContact O-CG 3.42Å; L441-K445 PolarHBondContact O-N 3.44Å |
| 442 | E | 98.7 | Very high | 97.7 | Very high | 124 Ų | 124 | 67 Ų | 67 | 58% | 0.579 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60.2 | -46.5 | 177.4 | -73 | 174.3 | -176.1 | 0 | 0 | 111.5 | P438 K445 R446 | P438-E442 WeakPolarHBondContact O-CB 3.14Å; P438-E442 WeakPolarHBondContact O-CG 3.4Å; P438-E442 PolarHBondContact O-N 2.9Å; E442-K445 PolarHBondContact O-N 3.5Å; E442-R446 WeakPolarHBondContact O-CB 3.35Å; E442-R446 PolarHBondContact O-N 2.73Å |
| 443 | N | 98.8 | Very high | 97.5 | Very high | 36 Ų | 36 | 70 Ų | 70 | 19% | 0.193 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.6 | -42.6 | 177.9 | -76.2 | -29 | 0 | 0 | 0 | 112.6 | H410 G411 K439 K445 R446 L447 | H410-N443 VanDerWaalsContact O-CB 3.26Å; H410-N443 WeakPolarHBondContact O-CB 3.36Å; G411-N443 PolarHBondContact O-ND2 2.96Å; G411-N443 VanDerWaalsContact O-ND2 3.09Å; K439-N443 WeakPolarHBondContact CG-ND2 3.28Å; K439-N443 WeakPolarHBondContact O-CB 3.29Å; K439-N443 PolarHBondContact O-N 3.05Å; K439-N443 PolarHBondContact O-ND2 2.75Å; N443-K445 VanDerWaalsContact C-N 3.34Å; N443-K445 PolarHBondContact O-N 3.46Å; N443-R446 PolarHBondContact O-N 3.01Å; N443-L447 WeakPolarHBondContact O-CB 3.46Å; N443-L447 PolarHBondContact O-N 3.5Å |
| 444 | S | 98.6 | Very high | 97.2 | Very high | 3 Ų | 3 | 66.6 Ų | 66.6 | 2% | 0.021 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 176.1 | -67.9 | 0 | 0 | 0 | 0 | 111.5 | G388 T389 G412 Y440 L441 L447 A448 | G388-S444 VanDerWaalsContact C-CB 3.48Å; G388-S444 WeakPolarHBondContact CA-O 3.39Å; G388-S444 WeakPolarHBondContact O-CB 3.47Å; T389-S444 PolarHBondContact O-OG 3Å; G412-S444 VanDerWaalsContact CA-OG 3.31Å; G412-S444 WeakPolarHBondContact CA-OG 3.3Å; G412-S444 PolarHBondContact O-OG 3.14Å; Y440-S444 WeakPolarHBondContact O-CB 3.26Å; Y440-S444 PolarHBondContact O-N 2.78Å; Y440-S444 PolarHBondContact O-OG 2.99Å; Y440-S444 VanDerWaalsContact O-OG 3.09Å; L441-S444 PolarHBondContact O-N 2.81Å; S444-L447 PolarHBondContact O-N 3.48Å; S444-A448 WeakPolarHBondContact O-CB 3.41Å; S444-A448 PolarHBondContact O-N 3Å |
| 445 | K | 98.2 | Very high | 96.9 | Very high | 122 Ų | 122 | 72.6 Ų | 72.6 | 53% | 0.53 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.3 | -44.4 | 175.4 | -76.4 | 176.9 | 176.7 | 175.1 | 0 | 112.4 | L441 E442 N443 L447 A448 E449 | L441-K445 HydrophobicContact CD1-CD 4.33Å; L441-K445 HydrophobicContact CD1-CG 4.33Å; L441-K445 HydrophobicContact CG-CD 4.16Å; L441-K445 WeakPolarHBondContact O-CB 3.48Å; L441-K445 VanDerWaalsContact O-CG 3.31Å; L441-K445 WeakPolarHBondContact O-CG 3.42Å; L441-K445 PolarHBondContact O-N 3.44Å; E442-K445 PolarHBondContact O-N 3.5Å; N443-K445 VanDerWaalsContact C-N 3.34Å; N443-K445 PolarHBondContact O-N 3.46Å; K445-L447 VanDerWaalsContact C-N 3.32Å; K445-L447 PolarHBondContact O-N 2.97Å; K445-A448 PolarHBondContact O-N 3.17Å; K445-E449 PolarHBondContact O-N 3.42Å |
| 446 | R | 98.4 | Very high | 96.6 | Very high | 150 Ų | 150 | 75 Ų | 75 | 57% | 0.566 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -60.2 | -42.6 | 175.6 | 179.3 | 176.3 | 173.7 | -100.7 | -5.5 | 111.5 | E442 N443 E449 M450 | E442-R446 WeakPolarHBondContact O-CB 3.35Å; E442-R446 PolarHBondContact O-N 2.73Å; N443-R446 PolarHBondContact O-N 3.01Å; R446-E449 PolarHBondContact O-N 3.01Å; R446-M450 HydrophobicContact CG-CE 4.46Å; R446-M450 WeakPolarHBondContact O-CG 3.46Å; R446-M450 PolarHBondContact O-N 3.01Å; R446-M450 VanDerWaalsContact O-N 3.11Å |
| 447 | L | 98.3 | Very high | 96.4 | Very high | 3 Ų | 3 | 71.6 Ų | 71.6 | 2% | 0.016 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.7 | -47.8 | 175 | 179 | 60.6 | 0 | 0 | 0 | 111.3 | L259 A385 L407 H410 N443 S444 K445 E449 M450 L451 | L259-L447 HydrophobicContact CD1-CD1 4.47Å; L259-L447 HydrophobicContact CD1-CD2 3.92Å; A385-L447 HydrophobicContact CB-CD2 3.95Å; L407-L447 HydrophobicContact CD1-CD2 3.96Å; H410-L447 HydrophobicContact CB-CD2 3.92Å; N443-L447 WeakPolarHBondContact O-CB 3.46Å; N443-L447 PolarHBondContact O-N 3.5Å; S444-L447 PolarHBondContact O-N 3.48Å; K445-L447 VanDerWaalsContact C-N 3.32Å; K445-L447 PolarHBondContact O-N 2.97Å; L447-E449 VanDerWaalsContact C-N 3.29Å; L447-E449 PolarHBondContact O-N 3.5Å; L447-M450 HydrophobicContact CB-CE 4.45Å; L447-M450 HydrophobicContact CD1-CE 3.97Å; L447-M450 WeakPolarHBondContact O-CB 3.47Å; L447-M450 PolarHBondContact O-N 3.46Å; L447-M450 VanDerWaalsContact O-N 3.11Å; L447-L451 HydrophobicContact CD1-CD1 3.94Å; L447-L451 HydrophobicContact CD1-CD2 4.22Å; L447-L451 HydrophobicContact CD1-CG 3.9Å; L447-L451 HydrophobicContact CD2-CD1 4.49Å; L447-L451 HydrophobicContact CG-CD1 3.85Å; L447-L451 HydrophobicContact CG-CG 4.19Å; L447-L451 VanDerWaalsContact O-CG 3.3Å; L447-L451 WeakPolarHBondContact O-CG 3.09Å; L447-L451 PolarHBondContact O-N 3.15Å |
| 448 | A | 96.6 | Very high | 96.2 | Very high | 7 Ų | 7 | 70.1 Ų | 70.1 | 6% | 0.058 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.9 | -41.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A385 M386 S444 K445 L451 T452 | A385-A448 VanDerWaalsContact O-CA 3.24Å; A385-A448 WeakPolarHBondContact O-CA 3.44Å; A385-A448 WeakPolarHBondContact O-CB 3.01Å; A385-A448 PolarHBondContact O-N 3.49Å; M386-A448 WeakPolarHBondContact O-CB 3.04Å; S444-A448 WeakPolarHBondContact O-CB 3.41Å; S444-A448 PolarHBondContact O-N 3Å; K445-A448 PolarHBondContact O-N 3.17Å; A448-L451 PolarHBondContact O-N 2.93Å; A448-T452 WeakPolarHBondContact O-CB 3.33Å; A448-T452 WeakPolarHBondContact O-CG2 3.45Å; A448-T452 PolarHBondContact O-N 2.69Å; A448-T452 PolarHBondContact O-OG1 2.89Å |
| 449 | E | 96.4 | Very high | 96.2 | Very high | 128 Ų | 128 | 71.4 Ų | 71.4 | 60% | 0.598 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -59.9 | -45.5 | 174.8 | -174.2 | 177.3 | -165.9 | 0 | 0 | 111.5 | K445 R446 L447 T452 N453 | K445-E449 PolarHBondContact O-N 3.42Å; R446-E449 PolarHBondContact O-N 3.01Å; L447-E449 VanDerWaalsContact C-N 3.29Å; L447-E449 PolarHBondContact O-N 3.5Å; E449-T452 PolarHBondContact O-OG1 3.35Å; E449-N453 WeakPolarHBondContact O-CB 3.45Å; E449-N453 PolarHBondContact O-N 3.19Å; E449-N453 PolarHBondContact O-ND2 3.21Å |
| 450 | M | 96.8 | Very high | 96.1 | Very high | 59 Ų | 59 | 70.2 Ų | 70.2 | 29% | 0.291 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 175.2 | -67.9 | -174.4 | -63.2 | 0 | 0 | 112.4 | L258 R446 L447 N453 Q454 | L258-M450 HydrophobicContact CD1-CB 4.35Å; R446-M450 HydrophobicContact CG-CE 4.46Å; R446-M450 WeakPolarHBondContact O-CG 3.46Å; R446-M450 PolarHBondContact O-N 3.01Å; R446-M450 VanDerWaalsContact O-N 3.11Å; L447-M450 HydrophobicContact CB-CE 4.45Å; L447-M450 HydrophobicContact CD1-CE 3.97Å; L447-M450 WeakPolarHBondContact O-CB 3.47Å; L447-M450 PolarHBondContact O-N 3.46Å; L447-M450 VanDerWaalsContact O-N 3.11Å; M450-N453 CarbonylContact O-C 3.4Å; M450-N453 PolarHBondContact O-N 3.5Å; M450-Q454 PolarHBondContact O-N 2.8Å |
| 451 | L | 95.3 | Very high | 96.1 | Very high | 3 Ų | 3 | 70 Ų | 70 | 2% | 0.016 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -72.7 | -27.8 | -176.4 | -62.6 | -179.9 | 0 | 0 | 0 | 113.3 | I256 L258 L259 A385 M386 L447 A448 Q454 | I256-L451 HydrophobicContact CG2-CD2 3.56Å; L258-L451 HydrophobicContact CB-CD2 3.91Å; L259-L451 HydrophobicContact CB-CD2 4.07Å; L259-L451 HydrophobicContact CD2-CD1 4.45Å; A385-L451 HydrophobicContact CB-CD1 3.66Å; M386-L451 HydrophobicContact CG-CB 4.18Å; M386-L451 HydrophobicContact CG-CD1 4.16Å; L447-L451 HydrophobicContact CD1-CD1 3.94Å; L447-L451 HydrophobicContact CD1-CD2 4.22Å; L447-L451 HydrophobicContact CD1-CG 3.9Å; L447-L451 HydrophobicContact CD2-CD1 4.49Å; L447-L451 HydrophobicContact CG-CD1 3.85Å; L447-L451 HydrophobicContact CG-CG 4.19Å; L447-L451 VanDerWaalsContact O-CG 3.3Å; L447-L451 WeakPolarHBondContact O-CG 3.09Å; L447-L451 PolarHBondContact O-N 3.15Å; A448-L451 PolarHBondContact O-N 2.93Å; L451-Q454 WeakPolarHBondContact O-CG 3.42Å; L451-Q454 PolarHBondContact O-NE2 2.99Å |
| 452 | T | 91.7 | Very high | 96.1 | Very high | 73 Ų | 73 | 66.7 Ų | 66.7 | 45% | 0.448 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -85.4 | -16.9 | 176.5 | 52.7 | 0 | 0 | 0 | 0 | 113.2 | A448 E449 | A448-T452 WeakPolarHBondContact O-CB 3.33Å; A448-T452 WeakPolarHBondContact O-CG2 3.45Å; A448-T452 PolarHBondContact O-N 2.69Å; A448-T452 PolarHBondContact O-OG1 2.89Å; E449-T452 PolarHBondContact O-OG1 3.35Å |
| 453 | N | 92.8 | Very high | 96 | Very high | 118 Ų | 118 | 62.4 Ų | 62.4 | 63% | 0.631 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.8 | 34.1 | 176.3 | -65.7 | -81.1 | 0 | 0 | 0 | 112.4 | E449 M450 | E449-N453 WeakPolarHBondContact O-CB 3.45Å; E449-N453 PolarHBondContact O-N 3.19Å; E449-N453 PolarHBondContact O-ND2 3.21Å; M450-N453 CarbonylContact O-C 3.4Å; M450-N453 PolarHBondContact O-N 3.5Å |
| 454 | Q | 92.9 | Very high | 96 | Very high | 42 Ų | 42 | 66.8 Ų | 66.8 | 20% | 0.196 | 34% | 0.336 | C | S | . | . | trans | -62.3 | 144.3 | 176.2 | -74.5 | 179.8 | 83.6 | 0 | 0 | 111.4 | I256 L258 M450 L451 T456 | I256-Q454 VanDerWaalsContact CG2-OE1 3.23Å; L258-Q454 HydrophobicContact CD1-CG 3.99Å; M450-Q454 PolarHBondContact O-N 2.8Å; L451-Q454 WeakPolarHBondContact O-CG 3.42Å; L451-Q454 PolarHBondContact O-NE2 2.99Å; Q454-T456 PolarHBondContact O-N 2.99Å | ||
| 455 | P | 92.7 | Very high | 96 | Very high | 130 Ų | 130 | 70.7 Ų | 70.7 | 84% | 0.844 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -63.7 | -22.5 | 179.4 | -23.9 | 34.2 | 0 | 0 | 0 | 114.6 | ||
| 456 | T | 91.5 | Very high | 96 | Very high | 88 Ų | 88 | 64.9 Ų | 64.9 | 54% | 0.54 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -120.5 | 147.5 | -177.9 | 55.3 | 0 | 0 | 0 | 0 | 111.1 | Q454 | Q454-T456 PolarHBondContact O-N 2.99Š|
| 457 | N | 93.9 | Very high | 96 | Very high | 68 Ų | 68 | 60.4 Ų | 60.4 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | trans | -95.7 | 115.9 | 173.8 | 178.3 | -18.1 | 0 | 0 | 0 | 109.1 | K459 E460 T461 | N457-K459 PolarHBondContact O-N 2.83Å; N457-K459 WeakPolarHBondContact OD1-CB 3.46Å; N457-K459 PolarHBondContact OD1-N 3.07Å; N457-E460 HydrophobicContact CB-CB 4.12Å; N457-E460 HydrophobicContact CB-CG 4.03Å; N457-E460 PolarHBondContact ND2-OE1 3.35Å; N457-E460 PolarHBondContact O-N 2.9Å; N457-E460 VanDerWaalsContact O-N 3.09Å; N457-T461 PolarHBondContact O-N 2.96Å; N457-T461 PolarHBondContact O-OG1 3.27Å; N457-T461 VanDerWaalsContact O-OG1 3.12Å | ||
| 458 | P | 95.7 | Very high | 96 | Very high | 30 Ų | 30 | 64.7 Ų | 64.7 | 20% | 0.195 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.7 | -27.6 | -174.4 | 25.6 | -35.2 | 0 | 0 | 0 | 113.2 | L275 L462 | L275-P458 HydrophobicContact CD2-CB 3.8Å; L275-P458 HydrophobicContact CD2-CG 4.3Å; P458-L462 WeakPolarHBondContact O-CB 3.34Å; P458-L462 PolarHBondContact O-N 3.39Å |
| 459 | K | 96.4 | Very high | 96.1 | Very high | 104 Ų | 104 | 64.3 Ų | 64.3 | 45% | 0.452 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -68.2 | -45.3 | 175 | -56.4 | -171 | 177.1 | -179.9 | 0 | 111.4 | I43 L275 N457 T461 L462 I463 | I43-K459 HydrophobicContact CD1-CB 4.28Å; I43-K459 HydrophobicContact CD1-CD 4.09Å; I43-K459 HydrophobicContact CD1-CG 3.77Å; I43-K459 HydrophobicContact CG1-CD 4.23Å; I43-K459 HydrophobicContact CG1-CG 4.33Å; I43-K459 HydrophobicContact CG2-CB 4.14Å; L275-K459 HydrophobicContact CD2-CG 4.09Å; N457-K459 PolarHBondContact O-N 2.83Å; N457-K459 WeakPolarHBondContact OD1-CB 3.46Å; N457-K459 PolarHBondContact OD1-N 3.07Å; K459-T461 VanDerWaalsContact C-N 3.34Å; K459-L462 PolarHBondContact O-N 3.24Å; K459-I463 WeakPolarHBondContact O-CD1 3.32Å; K459-I463 VanDerWaalsContact O-CG1 3.3Å; K459-I463 WeakPolarHBondContact O-CG1 3.23Å; K459-I463 PolarHBondContact O-N 3.11Å; K459-I463 VanDerWaalsContact O-N 3.1Å |
| 460 | E | 97.1 | Very high | 96.2 | Very high | 92 Ų | 92 | 58.4 Ų | 58.4 | 43% | 0.43 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.5 | -38.3 | 176.1 | -69 | 178 | -146.6 | 0 | 0 | 111.8 | N457 I463 K464 | N457-E460 HydrophobicContact CB-CB 4.12Å; N457-E460 HydrophobicContact CB-CG 4.03Å; N457-E460 PolarHBondContact ND2-OE1 3.35Å; N457-E460 PolarHBondContact O-N 2.9Å; N457-E460 VanDerWaalsContact O-N 3.09Å; E460-I463 PolarHBondContact O-N 2.9Å; E460-K464 WeakPolarHBondContact O-CB 3.41Å; E460-K464 VanDerWaalsContact O-CG 3.28Å; E460-K464 WeakPolarHBondContact O-CG 3.27Å; E460-K464 PolarHBondContact O-N 3.06Å; E460-K464 IonicContact OE2-NZ 2.67Å; E460-K464 PolarHBondContact OE2-NZ 3.39Å |
| 461 | T | 98.1 | Very high | 96.2 | Very high | 20 Ų | 20 | 63.2 Ų | 63.2 | 12% | 0.123 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.8 | -51.1 | 173.8 | -60 | 0 | 0 | 0 | 0 | 110.3 | V270 I272 N457 K459 I463 K464 Y465 | V270-T461 HydrophobicContact CG1-CG2 3.49Å; V270-T461 VanDerWaalsContact CG1-CG2 3.49Å; I272-T461 HydrophobicContact CG2-CG2 3.97Å; N457-T461 PolarHBondContact O-N 2.96Å; N457-T461 PolarHBondContact O-OG1 3.27Å; N457-T461 VanDerWaalsContact O-OG1 3.12Å; K459-T461 VanDerWaalsContact C-N 3.34Å; T461-I463 PolarHBondContact O-N 2.96Å; T461-K464 PolarHBondContact O-N 2.93Å; T461-Y465 HydrophobicContact CG2-CD2 3.67Å; T461-Y465 HydrophobicContact CG2-CE2 3.79Å; T461-Y465 WeakPolarHBondContact O-CB 3.44Å; T461-Y465 VanDerWaalsContact O-CD2 3.28Å; T461-Y465 WeakPolarHBondContact O-CD2 3.5Å; T461-Y465 PolarHBondContact O-N 3.15Å |
| 462 | L | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -51.9 | -53.6 | 176 | 170.3 | 65.7 | 0 | 0 | 0 | 111.3 | A40 I43 L44 I168 L252 I272 L275 P458 K459 Y465 V466 | A40-L462 HydrophobicContact CB-CD2 3.8Å; I43-L462 HydrophobicContact CB-CD2 4.09Å; I43-L462 HydrophobicContact CD1-CD2 4.3Å; I43-L462 HydrophobicContact CG2-CD2 3.93Å; L44-L462 HydrophobicContact CD2-CG 4.34Å; L44-L462 HydrophobicContact CG-CD2 4.41Å; I168-L462 HydrophobicContact CD1-CD1 4.23Å; L252-L462 HydrophobicContact CD1-CD1 3.56Å; I272-L462 HydrophobicContact CD1-CD1 4.27Å; I272-L462 HydrophobicContact CG2-CB 4.33Å; L275-L462 HydrophobicContact CD1-CD2 3.69Å; P458-L462 WeakPolarHBondContact O-CB 3.34Å; P458-L462 PolarHBondContact O-N 3.39Å; K459-L462 PolarHBondContact O-N 3.24Å; L462-Y465 PolarHBondContact O-N 3.25Å; L462-V466 HydrophobicContact CD1-CG2 3.66Å; L462-V466 HydrophobicContact CG-CG2 4.43Å; L462-V466 VanDerWaalsContact O-CB 3.28Å; L462-V466 WeakPolarHBondContact O-CB 3.46Å; L462-V466 VanDerWaalsContact O-CG2 3.22Å; L462-V466 WeakPolarHBondContact O-CG2 3.44Å; L462-V466 PolarHBondContact O-N 2.95Å |
| 463 | I | 98.4 | Very high | 96.6 | Very high | 35 Ų | 35 | 64.6 Ų | 64.6 | 18% | 0.179 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.5 | -54.4 | -178.2 | -65.4 | 160.4 | 0 | 0 | 0 | 110.5 | I43 L44 A47 K459 E460 T461 Y465 V466 E467 | I43-I463 HydrophobicContact CG2-CD1 3.83Å; I43-I463 HydrophobicContact CG2-CG1 3.77Å; L44-I463 HydrophobicContact CD2-CG1 4.44Å; A47-I463 HydrophobicContact CB-CD1 3.68Å; A47-I463 HydrophobicContact CB-CG1 3.87Å; A47-I463 HydrophobicContact CB-CG2 4.02Å; K459-I463 WeakPolarHBondContact O-CD1 3.32Å; K459-I463 VanDerWaalsContact O-CG1 3.3Å; K459-I463 WeakPolarHBondContact O-CG1 3.23Å; K459-I463 PolarHBondContact O-N 3.11Å; K459-I463 VanDerWaalsContact O-N 3.1Å; E460-I463 PolarHBondContact O-N 2.9Å; T461-I463 PolarHBondContact O-N 2.96Å; I463-Y465 PolarHBondContact O-N 3.08Å; I463-V466 PolarHBondContact O-N 3.41Å; I463-E467 HydrophobicContact CG2-CG 4.25Å; I463-E467 WeakPolarHBondContact CG2-OE1 3.41Å; I463-E467 WeakPolarHBondContact O-CB 3.27Å; I463-E467 VanDerWaalsContact O-CG 3.3Å; I463-E467 WeakPolarHBondContact O-CG 2.98Å; I463-E467 PolarHBondContact O-N 3.5Å |
| 464 | K | 98.1 | Very high | 96.9 | Very high | 127 Ų | 127 | 62.8 Ų | 62.8 | 55% | 0.552 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -60 | -43.2 | -175.4 | -73.2 | 168.5 | -178.8 | 161 | 0 | 112.4 | E460 T461 F468 | E460-K464 WeakPolarHBondContact O-CB 3.41Å; E460-K464 VanDerWaalsContact O-CG 3.28Å; E460-K464 WeakPolarHBondContact O-CG 3.27Å; E460-K464 PolarHBondContact O-N 3.06Å; E460-K464 IonicContact OE2-NZ 2.67Å; E460-K464 PolarHBondContact OE2-NZ 3.39Å; T461-K464 PolarHBondContact O-N 2.93Å; K464-F468 WeakPolarHBondContact O-CB 3.08Å; K464-F468 PolarHBondContact O-N 3.36Å |
| 465 | Y | 98.7 | Very high | 97.1 | Very high | 85 Ų | 85 | 62.1 Ų | 62.1 | 33% | 0.333 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -73.4 | -37.9 | -179.1 | -83.9 | -92 | 0 | 0 | 0 | 112.5 | F250 V270 T461 L462 I463 A469 | F250-Y465 AromaticContact CD1-CD1 3.58Å; F250-Y465 HydrophobicContact CD1-CD1 3.58Å; F250-Y465 AromaticContact CD1-CE1 3.84Å; F250-Y465 HydrophobicContact CD1-CE1 3.84Å; F250-Y465 AromaticContact CD2-CD1 3.72Å; F250-Y465 HydrophobicContact CD2-CD1 3.72Å; F250-Y465 HydrophobicContact CD2-CG 4.45Å; F250-Y465 AromaticContact CE1-CD1 3.52Å; F250-Y465 HydrophobicContact CE1-CD1 3.52Å; F250-Y465 AromaticContact CE1-CE1 3.58Å; F250-Y465 HydrophobicContact CE1-CE1 3.58Å; F250-Y465 AromaticContact CE2-CD1 3.65Å; F250-Y465 HydrophobicContact CE2-CD1 3.65Å; F250-Y465 HydrophobicContact CE2-CE1 4.47Å; F250-Y465 HydrophobicContact CE2-CG 4.49Å; F250-Y465 AromaticContact CG-CD1 3.68Å; F250-Y465 HydrophobicContact CG-CD1 3.68Å; F250-Y465 HydrophobicContact CG-CE1 4.4Å; F250-Y465 AromaticContact CZ-CD1 3.55Å; F250-Y465 HydrophobicContact CZ-CD1 3.55Å; F250-Y465 AromaticContact CZ-CE1 3.92Å; F250-Y465 HydrophobicContact CZ-CE1 3.92Å; V270-Y465 HydrophobicContact CB-CD1 4.48Å; V270-Y465 HydrophobicContact CB-CE1 4.41Å; V270-Y465 HydrophobicContact CG1-CD1 4.22Å; V270-Y465 HydrophobicContact CG1-CD2 3.78Å; V270-Y465 HydrophobicContact CG1-CE1 4.15Å; V270-Y465 HydrophobicContact CG1-CE2 3.69Å; V270-Y465 HydrophobicContact CG1-CG 4.03Å; V270-Y465 HydrophobicContact CG2-CD1 3.65Å; V270-Y465 HydrophobicContact CG2-CE1 3.38Å; V270-Y465 HydrophobicContact CG2-CE2 4.43Å; V270-Y465 HydrophobicContact CG2-CG 4.28Å; T461-Y465 HydrophobicContact CG2-CD2 3.67Å; T461-Y465 HydrophobicContact CG2-CE2 3.79Å; T461-Y465 WeakPolarHBondContact O-CB 3.44Å; T461-Y465 VanDerWaalsContact O-CD2 3.28Å; T461-Y465 WeakPolarHBondContact O-CD2 3.5Å; T461-Y465 PolarHBondContact O-N 3.15Å; L462-Y465 PolarHBondContact O-N 3.25Å; I463-Y465 PolarHBondContact O-N 3.08Å; Y465-A469 WeakPolarHBondContact O-CB 3.44Å; Y465-A469 PolarHBondContact O-N 3.18Å |
| 466 | V | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.5 | -46.8 | 175 | 167.2 | 0 | 0 | 0 | 0 | 110.9 | I22 L44 L143 I145 V166 L252 L462 I463 F468 A469 A470 | I22-V466 HydrophobicContact CD1-CG1 3.59Å; L44-V466 HydrophobicContact CD1-CG1 4.04Å; L44-V466 HydrophobicContact CD1-CG2 4.37Å; L44-V466 HydrophobicContact CD2-CB 3.84Å; L44-V466 HydrophobicContact CD2-CG1 3.63Å; L44-V466 HydrophobicContact CD2-CG2 4.16Å; L143-V466 HydrophobicContact CD2-CB 4.47Å; L143-V466 HydrophobicContact CD2-CG1 3.7Å; I145-V466 HydrophobicContact CD1-CG1 4.2Å; I145-V466 HydrophobicContact CD1-CG2 4.13Å; V166-V466 HydrophobicContact CG2-CG2 4.3Å; L252-V466 HydrophobicContact CD1-CG2 4.07Å; L462-V466 HydrophobicContact CD1-CG2 3.66Å; L462-V466 HydrophobicContact CG-CG2 4.43Å; L462-V466 VanDerWaalsContact O-CB 3.28Å; L462-V466 WeakPolarHBondContact O-CB 3.46Å; L462-V466 VanDerWaalsContact O-CG2 3.22Å; L462-V466 WeakPolarHBondContact O-CG2 3.44Å; L462-V466 PolarHBondContact O-N 2.95Å; I463-V466 PolarHBondContact O-N 3.41Å; V466-F468 VanDerWaalsContact C-N 3.34Å; V466-F468 PolarHBondContact O-N 3.49Å; V466-A469 WeakPolarHBondContact O-CB 3.47Å; V466-A469 PolarHBondContact O-N 3.1Å; V466-A470 WeakPolarHBondContact O-CB 3.39Å; V466-A470 PolarHBondContact O-N 3.18Å |
| 467 | E | 98.3 | Very high | 97.4 | Very high | 56 Ų | 56 | 62 Ų | 62 | 26% | 0.262 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.7 | -37 | 177.7 | -69.7 | 179.5 | 173.3 | 0 | 0 | 112 | Y20 N49 I463 A470 R471 | Y20-E467 HydrophobicContact CD2-CB 4.17Å; Y20-E467 HydrophobicContact CD2-CG 3.9Å; Y20-E467 HydrophobicContact CE2-CB 3.86Å; Y20-E467 HydrophobicContact CE2-CG 4Å; N49-E467 PolarHBondContact ND2-OE1 2.92Å; I463-E467 HydrophobicContact CG2-CG 4.25Å; I463-E467 WeakPolarHBondContact CG2-OE1 3.41Å; I463-E467 WeakPolarHBondContact O-CB 3.27Å; I463-E467 VanDerWaalsContact O-CG 3.3Å; I463-E467 WeakPolarHBondContact O-CG 2.98Å; I463-E467 PolarHBondContact O-N 3.5Å; E467-A470 PolarHBondContact O-N 2.95Å; E467-R471 VanDerWaalsContact O-CB 3.29Å; E467-R471 WeakPolarHBondContact O-CB 3.39Å; E467-R471 PolarHBondContact O-N 3.04Å |
| 468 | F | 98.1 | Very high | 97.5 | Very high | 93 Ų | 93 | 61 Ų | 61 | 41% | 0.408 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 172.1 | -169.6 | -80.2 | 0 | 0 | 0 | 111.3 | F250 K464 V466 R471 F472 L475 | F250-F468 HydrophobicContact CE2-CB 4.45Å; F250-F468 AromaticContact CE2-CD1 3.89Å; F250-F468 HydrophobicContact CE2-CD1 3.89Å; F250-F468 AromaticContact CZ-CD1 3.89Å; F250-F468 HydrophobicContact CZ-CD1 3.89Å; F250-F468 HydrophobicContact CZ-CE1 4.34Å; K464-F468 WeakPolarHBondContact O-CB 3.08Å; K464-F468 PolarHBondContact O-N 3.36Å; V466-F468 VanDerWaalsContact C-N 3.34Å; V466-F468 PolarHBondContact O-N 3.49Å; F468-R471 PolarHBondContact O-N 3.07Å; F468-F472 AromaticContact CD1-CD2 3.68Å; F468-F472 HydrophobicContact CD1-CD2 3.68Å; F468-F472 HydrophobicContact CD1-CE2 4.45Å; F468-F472 AromaticContact CD2-CD2 3.71Å; F468-F472 HydrophobicContact CD2-CD2 3.71Å; F468-F472 AromaticContact CD2-CE2 3.63Å; F468-F472 HydrophobicContact CD2-CE2 3.63Å; F468-F472 HydrophobicContact CE1-CB 4.25Å; F468-F472 AromaticContact CE1-CD2 3.57Å; F468-F472 HydrophobicContact CE1-CD2 3.57Å; F468-F472 HydrophobicContact CE1-CE2 4.3Å; F468-F472 HydrophobicContact CE1-CG 4.19Å; F468-F472 AromaticContact CE2-CD2 3.6Å; F468-F472 HydrophobicContact CE2-CD2 3.6Å; F468-F472 AromaticContact CE2-CE2 3.46Å; F468-F472 HydrophobicContact CE2-CE2 3.46Å; F468-F472 VanDerWaalsContact CE2-CE2 3.46Å; F468-F472 HydrophobicContact CE2-CZ 4.47Å; F468-F472 AromaticContact CG-CD2 3.75Å; F468-F472 HydrophobicContact CG-CD2 3.75Å; F468-F472 HydrophobicContact CG-CE2 4.14Å; F468-F472 AromaticContact CZ-CD2 3.53Å; F468-F472 HydrophobicContact CZ-CD2 3.53Å; F468-F472 AromaticContact CZ-CE2 3.82Å; F468-F472 HydrophobicContact CZ-CE2 3.82Å; F468-F472 HydrophobicContact CZ-CG 4.28Å; F468-F472 VanDerWaalsContact O-CD2 3.29Å; F468-F472 WeakPolarHBondContact O-CD2 3.4Å; F468-F472 PolarHBondContact O-N 2.94Å; F468-L475 HydrophobicContact CD1-CD1 4.29Å; F468-L475 HydrophobicContact CE1-CD1 3.95Å; F468-L475 HydrophobicContact CE1-CD2 4.11Å |
| 469 | A | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L143 V166 F250 Y465 V466 R471 G473 | L143-A469 HydrophobicContact CD1-CB 3.76Å; L143-A469 HydrophobicContact CD2-CB 4.13Å; V166-A469 HydrophobicContact CG1-CB 3.63Å; F250-A469 HydrophobicContact CD2-CB 4.17Å; F250-A469 HydrophobicContact CE2-CB 4.3Å; Y465-A469 WeakPolarHBondContact O-CB 3.44Å; Y465-A469 PolarHBondContact O-N 3.18Å; V466-A469 WeakPolarHBondContact O-CB 3.47Å; V466-A469 PolarHBondContact O-N 3.1Å; A469-R471 VanDerWaalsContact C-N 3.31Å; A469-R471 PolarHBondContact O-N 3.49Å; A469-G473 WeakPolarHBondContact O-CA 3.38Å; A469-G473 PolarHBondContact O-N 2.73Å |
| 470 | A | 98.2 | Very high | 97.3 | Very high | 3 Ų | 3 | 59.5 Ų | 59.5 | 3% | 0.025 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.2 | -38.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y20 D142 L143 V466 E467 | Y20-A470 HydrophobicContact CD1-CB 3.55Å; Y20-A470 HydrophobicContact CD2-CB 4.15Å; Y20-A470 HydrophobicContact CE1-CB 3.99Å; Y20-A470 HydrophobicContact CG-CB 3.64Å; D142-A470 HydrophobicContact CB-CB 4.27Å; L143-A470 HydrophobicContact CB-CB 3.94Å; L143-A470 HydrophobicContact CD2-CB 4.43Å; V466-A470 WeakPolarHBondContact O-CB 3.39Å; V466-A470 PolarHBondContact O-N 3.18Å; E467-A470 PolarHBondContact O-N 2.95Å |
| 471 | R | 97.5 | Very high | 97.1 | Very high | 160 Ų | 160 | 63 Ų | 63 | 60% | 0.604 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -70.8 | -49.1 | 179.2 | -172.4 | 171 | 177.7 | 176.3 | 0.1 | 113.4 | Y20 E467 F468 A469 | Y20-R471 HydrophobicContact CE1-CB 4.45Å; Y20-R471 WeakPolarHBondContact OH-CB 3.45Å; E467-R471 VanDerWaalsContact O-CB 3.29Å; E467-R471 WeakPolarHBondContact O-CB 3.39Å; E467-R471 PolarHBondContact O-N 3.04Å; F468-R471 PolarHBondContact O-N 3.07Å; A469-R471 VanDerWaalsContact C-N 3.31Å; A469-R471 PolarHBondContact O-N 3.49Å |
| 472 | F | 97.8 | Very high | 96.9 | Very high | 103 Ų | 103 | 62.6 Ų | 62.6 | 45% | 0.452 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -101 | -19 | -168.5 | -63.3 | -69.1 | 0 | 0 | 0 | 113.4 | F468 L475 | F468-F472 AromaticContact CD1-CD2 3.68Å; F468-F472 HydrophobicContact CD1-CD2 3.68Å; F468-F472 HydrophobicContact CD1-CE2 4.45Å; F468-F472 AromaticContact CD2-CD2 3.71Å; F468-F472 HydrophobicContact CD2-CD2 3.71Å; F468-F472 AromaticContact CD2-CE2 3.63Å; F468-F472 HydrophobicContact CD2-CE2 3.63Å; F468-F472 HydrophobicContact CE1-CB 4.25Å; F468-F472 AromaticContact CE1-CD2 3.57Å; F468-F472 HydrophobicContact CE1-CD2 3.57Å; F468-F472 HydrophobicContact CE1-CE2 4.3Å; F468-F472 HydrophobicContact CE1-CG 4.19Å; F468-F472 AromaticContact CE2-CD2 3.6Å; F468-F472 HydrophobicContact CE2-CD2 3.6Å; F468-F472 AromaticContact CE2-CE2 3.46Å; F468-F472 HydrophobicContact CE2-CE2 3.46Å; F468-F472 VanDerWaalsContact CE2-CE2 3.46Å; F468-F472 HydrophobicContact CE2-CZ 4.47Å; F468-F472 AromaticContact CG-CD2 3.75Å; F468-F472 HydrophobicContact CG-CD2 3.75Å; F468-F472 HydrophobicContact CG-CE2 4.14Å; F468-F472 AromaticContact CZ-CD2 3.53Å; F468-F472 HydrophobicContact CZ-CD2 3.53Å; F468-F472 AromaticContact CZ-CE2 3.82Å; F468-F472 HydrophobicContact CZ-CE2 3.82Å; F468-F472 HydrophobicContact CZ-CG 4.28Å; F468-F472 VanDerWaalsContact O-CD2 3.29Å; F468-F472 WeakPolarHBondContact O-CD2 3.4Å; F468-F472 PolarHBondContact O-N 2.94Å; F472-L475 HydrophobicContact CB-CD2 4.4Å |
| 473 | G | 97.9 | Very high | 96.6 | Very high | 2 Ų | 2 | 65.9 Ų | 65.9 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | trans | 73.7 | -149.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A164 S249 A469 | A164-G473 VanDerWaalsContact CB-CA 3.46Å; S249-G473 PolarHBondContact OG-O 3.17Å; A469-G473 WeakPolarHBondContact O-CA 3.38Å; A469-G473 PolarHBondContact O-N 2.73Å | ||
| 474 | K | 97.4 | Very high | 96.5 | Very high | 81 Ų | 81 | 69.3 Ų | 69.3 | 35% | 0.352 | 33% | 0.33 | S | S | . | . | trans | -57 | 142.4 | -179.4 | -57 | 179.2 | -174.8 | -175.8 | 0 | 111.4 | R163 E247 P476 | R163-K474 WeakPolarHBondContact O-CE 3.45Å; E247-K474 HydrophobicContact CB-CD 4.21Å; E247-K474 WeakPolarHBondContact OE2-CE 3.44Å; E247-K474 IonicContact OE2-NZ 3.91Å; E247-K474 PolarHBondContact OE2-NZ 2.57Å; K474-P476 VanDerWaalsContact O-CD 3.26Å; K474-P476 WeakPolarHBondContact O-CD 3.48Å | ||
| 475 | L | 97.3 | Very high | 96.3 | Very high | 27 Ų | 27 | 66.7 Ų | 66.7 | 14% | 0.141 | 32% | 0.319 | C | S | . | . | trans | -117.7 | 78.2 | -178.5 | -59 | 178.5 | 0 | 0 | 0 | 110.6 | F250 F468 F472 S477 L478 | F250-L475 HydrophobicContact CE1-CD1 3.9Å; F250-L475 HydrophobicContact CE2-CD1 3.89Å; F250-L475 HydrophobicContact CZ-CD1 3.42Å; F250-L475 VanDerWaalsContact CZ-CD1 3.42Å; F468-L475 HydrophobicContact CD1-CD1 4.29Å; F468-L475 HydrophobicContact CE1-CD1 3.95Å; F468-L475 HydrophobicContact CE1-CD2 4.11Å; F472-L475 HydrophobicContact CB-CD2 4.4Å; L475-S477 PolarHBondContact O-N 2.58Å; L475-S477 VanDerWaalsContact O-N 3.16Å; L475-L478 HydrophobicContact CB-CB 4.37Å; L475-L478 HydrophobicContact CB-CD1 4.23Å; L475-L478 HydrophobicContact CB-CG 4.25Å; L475-L478 HydrophobicContact CD1-CD1 3.82Å; L475-L478 PolarHBondContact O-N 2.78Å | ||
| 476 | P | 95.8 | Very high | 96.1 | Very high | 109 Ų | 109 | 65.2 Ų | 65.2 | 71% | 0.708 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -62.3 | -22.1 | 179.5 | 26.3 | -34.9 | 0 | 0 | 0 | 112.8 | K474 L478 D479 | K474-P476 VanDerWaalsContact O-CD 3.26Å; K474-P476 WeakPolarHBondContact O-CD 3.48Å; P476-L478 PolarHBondContact O-N 3.02Å; P476-D479 WeakPolarHBondContact O-CB 3.45Å; P476-D479 PolarHBondContact O-N 2.84Å; P476-D479 VanDerWaalsContact O-N 3.11Å |
| 477 | S | 95.2 | Very high | 95.8 | Very high | 108 Ų | 108 | 72.3 Ų | 72.3 | 76% | 0.755 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -65.3 | -15.6 | 172.3 | 57.7 | 0 | 0 | 0 | 0 | 114 | L475 | L475-S477 PolarHBondContact O-N 2.58Å; L475-S477 VanDerWaalsContact O-N 3.16Å |
| 478 | L | 95.4 | Very high | 95.7 | Very high | 47 Ų | 47 | 74.1 Ų | 74.1 | 25% | 0.246 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -105.6 | 9.8 | 174.7 | -61.3 | -176 | 0 | 0 | 0 | 112.4 | F250 K268 L475 P476 N480 | F250-L478 HydrophobicContact CD1-CD1 4.36Å; F250-L478 HydrophobicContact CE1-CD1 3.76Å; K268-L478 HydrophobicContact CB-CB 4.38Å; K268-L478 HydrophobicContact CG-CB 4.49Å; L475-L478 HydrophobicContact CB-CB 4.37Å; L475-L478 HydrophobicContact CB-CD1 4.23Å; L475-L478 HydrophobicContact CB-CG 4.25Å; L475-L478 HydrophobicContact CD1-CD1 3.82Å; L475-L478 PolarHBondContact O-N 2.78Å; P476-L478 PolarHBondContact O-N 3.02Å; L478-N480 PolarHBondContact O-N 2.94Å |
| 479 | D | 94.7 | Very high | 95.6 | Very high | 56 Ų | 56 | 73.8 Ų | 73.8 | 30% | 0.299 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -78 | 115.2 | 171.2 | -172 | 30.7 | 0 | 0 | 0 | 109.7 | P476 Y481 R483 H484 | P476-D479 WeakPolarHBondContact O-CB 3.45Å; P476-D479 PolarHBondContact O-N 2.84Å; P476-D479 VanDerWaalsContact O-N 3.11Å; D479-Y481 PolarHBondContact O-N 2.81Å; D479-Y481 VanDerWaalsContact O-N 3.17Å; D479-R483 WeakPolarHBondContact OD1-CD 3.49Å; D479-R483 IonicContact OD1-NE 3.55Å; D479-H484 IonicContact OD2-CD2 2.94Å; D479-H484 IonicContact OD2-CE1 3.02Å; D479-H484 IonicContact OD2-NE2 3.23Å; D479-H484 PolarHBondContact OD2-NE2 3.3Å |
| 480 | N | 93 | Very high | 95.4 | Very high | 46 Ų | 46 | 78 Ų | 78 | 25% | 0.246 | 38% | 0.376 | C | S | . | . | trans | -68.9 | 114.5 | -178.9 | 176.4 | 21.8 | 0 | 0 | 0 | 110 | G182 F266 L478 G482 R483 | G182-N480 PolarHBondContact O-ND2 3.26Å; F266-N480 HydrophobicContact CD1-CB 4.44Å; F266-N480 HydrophobicContact CE1-CB 3.96Å; F266-N480 HydrophobicContact CZ-CB 4.15Å; L478-N480 PolarHBondContact O-N 2.94Å; N480-G482 PolarHBondContact O-N 3.35Å; N480-G482 VanDerWaalsContact O-N 3.08Å; N480-G482 PolarHBondContact OD1-N 3.42Å; N480-G482 VanDerWaalsContact OD1-N 3.16Å; N480-R483 WeakPolarHBondContact O-CG 3.27Å; N480-R483 PolarHBondContact O-N 3.35Å; N480-R483 VanDerWaalsContact O-N 3.16Å | ||
| 481 | Y | 93.3 | Very high | 95.3 | Very high | 166 Ų | 166 | 82.5 Ų | 82.5 | 65% | 0.651 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -59.3 | -25.4 | -178.9 | -165.9 | -97.9 | 0 | 0 | 0 | 113.9 | D479 R483 H484 Q485 | D479-Y481 PolarHBondContact O-N 2.81Å; D479-Y481 VanDerWaalsContact O-N 3.17Å; Y481-R483 PolarHBondContact O-N 2.79Å; Y481-H484 PolarHBondContact O-N 3.43Å; Y481-Q485 HydrophobicContact CD1-CG 4.18Å; Y481-Q485 HydrophobicContact CE1-CG 4.17Å |
| 482 | G | 93.4 | Very high | 95.3 | Very high | 11 Ų | 11 | 81.3 Ų | 81.3 | 11% | 0.113 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -55.8 | -25.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | N480 H484 Q485 | N480-G482 PolarHBondContact O-N 3.35Å; N480-G482 VanDerWaalsContact O-N 3.08Å; N480-G482 PolarHBondContact OD1-N 3.42Å; N480-G482 VanDerWaalsContact OD1-N 3.16Å; G482-H484 PolarHBondContact O-N 3.36Å; G482-Q485 PolarHBondContact O-N 3.49Å |
| 483 | R | 93.6 | Very high | 95.3 | Very high | 68 Ų | 68 | 80 Ų | 80 | 26% | 0.257 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -65.3 | -24.3 | 175.3 | 77.6 | -177.7 | -75.4 | 104.4 | 19.5 | 114.1 | V180 I181 P246 D479 N480 Y481 | V180-R483 PolarHBondContact O-NH1 2.84Å; V180-R483 PolarHBondContact O-NH2 3.35Å; I181-R483 VanDerWaalsContact C-NH1 3.29Å; I181-R483 PolarHBondContact O-NH1 2.94Å; P246-R483 VanDerWaalsContact CB-NH1 3.32Å; P246-R483 VanDerWaalsContact CG-NH1 3.33Å; D479-R483 WeakPolarHBondContact OD1-CD 3.49Å; D479-R483 IonicContact OD1-NE 3.55Å; N480-R483 WeakPolarHBondContact O-CG 3.27Å; N480-R483 PolarHBondContact O-N 3.35Å; N480-R483 VanDerWaalsContact O-N 3.16Å; Y481-R483 PolarHBondContact O-N 2.79Å |
| 484 | H | 95 | Very high | 95.3 | Very high | 107 Ų | 107 | 82.8 Ų | 82.8 | 50% | 0.495 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -93.4 | -6.8 | -176.8 | -59 | -62.6 | 0 | 0 | 0 | 111 | D479 Y481 G482 | D479-H484 IonicContact OD2-CD2 2.94Å; D479-H484 IonicContact OD2-CE1 3.02Å; D479-H484 IonicContact OD2-NE2 3.23Å; D479-H484 PolarHBondContact OD2-NE2 3.3Å; Y481-H484 PolarHBondContact O-N 3.43Å; G482-H484 PolarHBondContact O-N 3.36Å |
| 485 | Q | 95.1 | Very high | 95.3 | Very high | 72 Ų | 72 | 82.5 Ų | 82.5 | 34% | 0.336 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -87.5 | 146.7 | 177.1 | -63.2 | -172.7 | -67.3 | 0 | 0 | 110.7 | Y481 G482 E489 | Y481-Q485 HydrophobicContact CD1-CG 4.18Å; Y481-Q485 HydrophobicContact CE1-CG 4.17Å; G482-Q485 PolarHBondContact O-N 3.49Å; Q485-E489 WeakPolarHBondContact CA-OE2 3.39Å; Q485-E489 HydrophobicContact CB-CB 4.13Å |
| 486 | S | 94.9 | Very high | 95.4 | Very high | 54 Ų | 54 | 86 Ų | 86 | 38% | 0.378 | 43% | 0.426 | S | S | . | . | trans | -68.3 | 159.9 | 166.7 | 67.6 | 0 | 0 | 0 | 0 | 110.9 | I488 E489 Y490 | S486-I488 PolarHBondContact O-N 3Å; S486-I488 VanDerWaalsContact O-N 3.14Å; S486-E489 PolarHBondContact N-OE2 3Å; S486-E489 PolarHBondContact O-N 3.07Å; S486-E489 VanDerWaalsContact O-N 3.15Å; S486-E489 WeakPolarHBondContact OG-CG 3.31Å; S486-E489 PolarHBondContact OG-N 3.17Å; S486-E489 PolarHBondContact OG-OE2 3.15Å; S486-Y490 WeakPolarHBondContact O-CB 3.33Å; S486-Y490 PolarHBondContact O-N 3.37Å | ||
| 487 | Y | 91.4 | Very high | 95.5 | Very high | 150 Ų | 150 | 83.3 Ų | 83.3 | 59% | 0.588 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -55 | -32 | 172.6 | -173.8 | -87.9 | 0 | 0 | 0 | 112.3 | F491 L493 | Y487-F491 HydrophobicContact CD1-CD2 4.08Å; Y487-F491 AromaticContact CD2-CD2 3.75Å; Y487-F491 HydrophobicContact CD2-CD2 3.75Å; Y487-F491 AromaticContact CD2-CE2 3.62Å; Y487-F491 HydrophobicContact CD2-CE2 3.62Å; Y487-F491 AromaticContact CE1-CD2 3.84Å; Y487-F491 HydrophobicContact CE1-CD2 3.84Å; Y487-F491 HydrophobicContact CE1-CE2 4.38Å; Y487-F491 AromaticContact CE2-CD2 3.51Å; Y487-F491 HydrophobicContact CE2-CD2 3.51Å; Y487-F491 AromaticContact CE2-CE2 3.21Å; Y487-F491 HydrophobicContact CE2-CE2 3.21Å; Y487-F491 HydrophobicContact CE2-CZ 4.26Å; Y487-F491 HydrophobicContact CG-CD2 4.02Å; Y487-F491 HydrophobicContact CG-CE2 4.36Å; Y487-F491 AromaticContact CZ-CD2 3.53Å; Y487-F491 AromaticContact CZ-CE2 3.63Å; Y487-F491 WeakPolarHBondContact O-CD2 3.22Å; Y487-F491 PolarHBondContact O-N 2.91Å; Y487-L493 HydrophobicContact CD1-CD1 3.92Å; Y487-L493 HydrophobicContact CE1-CD1 3.86Å |
| 488 | I | 96.5 | Very high | 95.6 | Very high | 94 Ų | 94 | 82.9 Ų | 82.9 | 48% | 0.482 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.8 | -49.3 | 178.9 | -63.2 | 175.2 | 0 | 0 | 0 | 110.5 | S486 F492 L493 D494 | S486-I488 PolarHBondContact O-N 3Å; S486-I488 VanDerWaalsContact O-N 3.14Å; I488-F492 PolarHBondContact O-N 3.25Å; I488-L493 HydrophobicContact CG2-CB 4.1Å; I488-L493 PolarHBondContact O-N 2.76Å; I488-D494 HydrophobicContact CG2-CB 3.84Å |
| 489 | E | 96.7 | Very high | 95.7 | Very high | 86 Ų | 86 | 85.3 Ų | 85.3 | 40% | 0.402 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -69.4 | -44.9 | -179.8 | -68.2 | 163 | 158.2 | 0 | 0 | 111.6 | Q485 S486 F491 F492 | Q485-E489 WeakPolarHBondContact CA-OE2 3.39Å; Q485-E489 HydrophobicContact CB-CB 4.13Å; S486-E489 PolarHBondContact N-OE2 3Å; S486-E489 PolarHBondContact O-N 3.07Å; S486-E489 VanDerWaalsContact O-N 3.15Å; S486-E489 WeakPolarHBondContact OG-CG 3.31Å; S486-E489 PolarHBondContact OG-N 3.17Å; S486-E489 PolarHBondContact OG-OE2 3.15Å; E489-F491 VanDerWaalsContact C-N 3.28Å; E489-F491 PolarHBondContact O-N 3.1Å; E489-F492 PolarHBondContact O-N 3.3Å; E489-F492 VanDerWaalsContact O-N 3.08Å |
| 490 | Y | 94.2 | Very high | 95.9 | Very high | 88 Ų | 88 | 84.9 Ų | 84.9 | 35% | 0.345 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60 | -38 | -176.5 | -174.6 | -88.8 | 0 | 0 | 0 | 112.5 | S486 | S486-Y490 WeakPolarHBondContact O-CB 3.33Å; S486-Y490 PolarHBondContact O-N 3.37Å |
| 491 | F | 94.5 | Very high | 96.2 | Very high | 98 Ų | 98 | 87.4 Ų | 87.4 | 43% | 0.43 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | 11.2 | 178.1 | -70.4 | -71.4 | 0 | 0 | 0 | 113.9 | Y487 E489 L493 | Y487-F491 HydrophobicContact CD1-CD2 4.08Å; Y487-F491 AromaticContact CD2-CD2 3.75Å; Y487-F491 HydrophobicContact CD2-CD2 3.75Å; Y487-F491 AromaticContact CD2-CE2 3.62Å; Y487-F491 HydrophobicContact CD2-CE2 3.62Å; Y487-F491 AromaticContact CE1-CD2 3.84Å; Y487-F491 HydrophobicContact CE1-CD2 3.84Å; Y487-F491 HydrophobicContact CE1-CE2 4.38Å; Y487-F491 AromaticContact CE2-CD2 3.51Å; Y487-F491 HydrophobicContact CE2-CD2 3.51Å; Y487-F491 AromaticContact CE2-CE2 3.21Å; Y487-F491 HydrophobicContact CE2-CE2 3.21Å; Y487-F491 HydrophobicContact CE2-CZ 4.26Å; Y487-F491 HydrophobicContact CG-CD2 4.02Å; Y487-F491 HydrophobicContact CG-CE2 4.36Å; Y487-F491 AromaticContact CZ-CD2 3.53Å; Y487-F491 AromaticContact CZ-CE2 3.63Å; Y487-F491 WeakPolarHBondContact O-CD2 3.22Å; Y487-F491 PolarHBondContact O-N 2.91Å; E489-F491 VanDerWaalsContact C-N 3.28Å; E489-F491 PolarHBondContact O-N 3.1Å; F491-L493 HydrophobicContact CB-CD2 4.32Å; F491-L493 HydrophobicContact CB-CG 4.08Å; F491-L493 PolarHBondContact O-N 3.35Å; F491-L493 VanDerWaalsContact O-N 3.16Å |
| 492 | F | 97.5 | Very high | 96.4 | Very high | 134 Ų | 134 | 83.9 Ų | 83.9 | 59% | 0.588 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 30.9 | -179.4 | -64.8 | -65.6 | 0 | 0 | 0 | 113.9 | I488 E489 D494 I495 I496 | I488-F492 PolarHBondContact O-N 3.25Å; E489-F492 PolarHBondContact O-N 3.3Å; E489-F492 VanDerWaalsContact O-N 3.08Å; F492-D494 VanDerWaalsContact C-OD1 3.24Å; F492-D494 WeakPolarHBondContact CA-OD1 3.13Å; F492-D494 PolarHBondContact O-N 2.04Å; F492-I495 HydrophobicContact CB-CB 4.14Å; F492-I495 HydrophobicContact CB-CG1 4.27Å; F492-I495 HydrophobicContact CD1-CB 4.47Å; F492-I495 HydrophobicContact CD1-CG1 3.77Å; F492-I495 HydrophobicContact CG-CG1 4.48Å; F492-I495 PolarHBondContact O-N 3.42Å; F492-I495 VanDerWaalsContact O-N 3.17Å; F492-I496 WeakPolarHBondContact O-CB 3.42Å; F492-I496 VanDerWaalsContact O-CG1 3.26Å; F492-I496 WeakPolarHBondContact O-CG1 2.99Å; F492-I496 PolarHBondContact O-N 3.34Å |
| 493 | L | 98 | Very high | 96.6 | Very high | 77 Ų | 77 | 86.6 Ų | 86.6 | 40% | 0.403 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66 | -32 | -179.4 | -61.7 | -176.4 | 0 | 0 | 0 | 111.5 | Y487 I488 F491 I496 A497 | Y487-L493 HydrophobicContact CD1-CD1 3.92Å; Y487-L493 HydrophobicContact CE1-CD1 3.86Å; I488-L493 HydrophobicContact CG2-CB 4.1Å; I488-L493 PolarHBondContact O-N 2.76Å; F491-L493 HydrophobicContact CB-CD2 4.32Å; F491-L493 HydrophobicContact CB-CG 4.08Å; F491-L493 PolarHBondContact O-N 3.35Å; F491-L493 VanDerWaalsContact O-N 3.16Å; L493-I496 HydrophobicContact CD2-CD1 4.37Å; L493-A497 VanDerWaalsContact O-CB 3.26Å; L493-A497 WeakPolarHBondContact O-CB 3.47Å; L493-A497 PolarHBondContact O-N 2.95Å |
| 494 | D | 97.7 | Very high | 96.8 | Very high | 60 Ų | 60 | 89 Ų | 89 | 32% | 0.321 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.7 | -48.4 | 168.9 | 56.6 | -17.7 | 0 | 0 | 0 | 112.1 | I488 F492 A497 I498 | I488-D494 HydrophobicContact CG2-CB 3.84Å; F492-D494 VanDerWaalsContact C-OD1 3.24Å; F492-D494 WeakPolarHBondContact CA-OD1 3.13Å; F492-D494 PolarHBondContact O-N 2.04Å; D494-A497 PolarHBondContact O-N 3.47Å; D494-I498 WeakPolarHBondContact O-CG1 3.46Å; D494-I498 PolarHBondContact O-N 3.06Å |
| 495 | I | 98.1 | Very high | 96.9 | Very high | 75 Ų | 75 | 90 Ų | 90 | 39% | 0.385 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.5 | -43.8 | 178.1 | -55.8 | -55.8 | 0 | 0 | 0 | 110.9 | F492 A497 I498 L499 | F492-I495 HydrophobicContact CB-CB 4.14Å; F492-I495 HydrophobicContact CB-CG1 4.27Å; F492-I495 HydrophobicContact CD1-CB 4.47Å; F492-I495 HydrophobicContact CD1-CG1 3.77Å; F492-I495 HydrophobicContact CG-CG1 4.48Å; F492-I495 PolarHBondContact O-N 3.42Å; F492-I495 VanDerWaalsContact O-N 3.17Å; I495-A497 VanDerWaalsContact C-N 3.29Å; I495-A497 PolarHBondContact O-N 3.07Å; I495-I498 PolarHBondContact O-N 2.94Å; I495-L499 HydrophobicContact CG2-CD1 4.18Å; I495-L499 HydrophobicContact CG2-CG 4.42Å; I495-L499 WeakPolarHBondContact O-CG 3.47Å; I495-L499 PolarHBondContact O-N 2.83Å |
| 496 | I | 98.4 | Very high | 97.1 | Very high | 101 Ų | 101 | 89.3 Ų | 89.3 | 52% | 0.518 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.3 | -43.5 | 175.8 | -69.4 | 165.8 | 0 | 0 | 0 | 110 | F492 L493 L499 A500 | F492-I496 WeakPolarHBondContact O-CB 3.42Å; F492-I496 VanDerWaalsContact O-CG1 3.26Å; F492-I496 WeakPolarHBondContact O-CG1 2.99Å; F492-I496 PolarHBondContact O-N 3.34Å; L493-I496 HydrophobicContact CD2-CD1 4.37Å; I496-L499 PolarHBondContact O-N 3.36Å; I496-A500 VanDerWaalsContact O-CB 3.32Å; I496-A500 WeakPolarHBondContact O-CB 3.29Å; I496-A500 PolarHBondContact O-N 3.37Å |
| 497 | A | 98.1 | Very high | 97.2 | Very high | 51 Ų | 51 | 92.3 Ų | 92.3 | 42% | 0.421 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L493 D494 I495 A500 V501 | L493-A497 VanDerWaalsContact O-CB 3.26Å; L493-A497 WeakPolarHBondContact O-CB 3.47Å; L493-A497 PolarHBondContact O-N 2.95Å; D494-A497 PolarHBondContact O-N 3.47Å; I495-A497 VanDerWaalsContact C-N 3.29Å; I495-A497 PolarHBondContact O-N 3.07Å; A497-A500 PolarHBondContact O-N 3.03Å; A497-V501 WeakPolarHBondContact O-CG2 2.97Å; A497-V501 PolarHBondContact O-N 2.91Å |
| 498 | I | 98.3 | Very high | 97.5 | Very high | 99 Ų | 99 | 91.6 Ų | 91.6 | 51% | 0.508 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.6 | -47.6 | 175.9 | -69.5 | 164.7 | 0 | 0 | 0 | 111.1 | D494 I495 A500 V501 I502 | D494-I498 WeakPolarHBondContact O-CG1 3.46Å; D494-I498 PolarHBondContact O-N 3.06Å; I495-I498 PolarHBondContact O-N 2.94Å; I498-A500 PolarHBondContact O-N 3.5Å; I498-V501 PolarHBondContact O-N 2.61Å; I498-I502 HydrophobicContact CG2-CD1 3.87Å; I498-I502 WeakPolarHBondContact O-CG1 3.26Å; I498-I502 PolarHBondContact O-N 3.09Å |
| 499 | L | 98.2 | Very high | 97.5 | Very high | 99 Ų | 99 | 90.2 Ų | 90.2 | 52% | 0.518 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65 | -37.9 | 179.3 | -68.8 | 177.1 | 0 | 0 | 0 | 112.5 | I495 I496 I502 S503 | I495-L499 HydrophobicContact CG2-CD1 4.18Å; I495-L499 HydrophobicContact CG2-CG 4.42Å; I495-L499 WeakPolarHBondContact O-CG 3.47Å; I495-L499 PolarHBondContact O-N 2.83Å; I496-L499 PolarHBondContact O-N 3.36Å; L499-I502 PolarHBondContact O-N 3.01Å; L499-S503 WeakPolarHBondContact O-CB 3.19Å; L499-S503 PolarHBondContact O-N 3.4Å; L499-S503 PolarHBondContact O-OG 2.85Å |
| 500 | A | 98.2 | Very high | 97.5 | Very high | 47 Ų | 47 | 89.5 Ų | 89.5 | 39% | 0.388 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | I496 A497 I498 S503 L504 | I496-A500 VanDerWaalsContact O-CB 3.32Å; I496-A500 WeakPolarHBondContact O-CB 3.29Å; I496-A500 PolarHBondContact O-N 3.37Å; A497-A500 PolarHBondContact O-N 3.03Å; I498-A500 PolarHBondContact O-N 3.5Å; A500-S503 PolarHBondContact O-N 3.34Å; A500-L504 WeakPolarHBondContact O-CB 3.38Å; A500-L504 VanDerWaalsContact O-CG 3.27Å; A500-L504 WeakPolarHBondContact O-CG 3.42Å; A500-L504 PolarHBondContact O-N 3.39Å |
| 501 | V | 98.2 | Very high | 97.6 | Very high | 98 Ų | 98 | 91.8 Ų | 91.8 | 59% | 0.594 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62 | -45.5 | 176.6 | 171.2 | 0 | 0 | 0 | 0 | 111.5 | A497 I498 S503 L504 F505 | A497-V501 WeakPolarHBondContact O-CG2 2.97Å; A497-V501 PolarHBondContact O-N 2.91Å; I498-V501 PolarHBondContact O-N 2.61Å; V501-S503 VanDerWaalsContact C-N 3.33Å; V501-S503 PolarHBondContact O-N 3.45Å; V501-L504 PolarHBondContact O-N 3.03Å; V501-F505 WeakPolarHBondContact O-CB 3.38Å; V501-F505 PolarHBondContact O-N 3.43Å |
| 502 | I | 98.2 | Very high | 97.7 | Very high | 92 Ų | 92 | 90.5 Ų | 90.5 | 47% | 0.472 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62 | -42 | 178 | -69.6 | 164.3 | 0 | 0 | 0 | 111.3 | I498 L499 F505 S506 | I498-I502 HydrophobicContact CG2-CD1 3.87Å; I498-I502 WeakPolarHBondContact O-CG1 3.26Å; I498-I502 PolarHBondContact O-N 3.09Å; L499-I502 PolarHBondContact O-N 3.01Å; I502-F505 PolarHBondContact O-N 3.47Å; I502-S506 WeakPolarHBondContact O-CB 3.31Å; I502-S506 PolarHBondContact O-N 3.15Å; I502-S506 PolarHBondContact O-OG 2.92Å |
| 503 | S | 97.8 | Very high | 97.6 | Very high | 68 Ų | 68 | 88.9 Ų | 88.9 | 48% | 0.476 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.1 | -44.6 | 179.4 | -67.1 | 0 | 0 | 0 | 0 | 111.5 | L499 A500 V501 F505 S506 L507 | L499-S503 WeakPolarHBondContact O-CB 3.19Å; L499-S503 PolarHBondContact O-N 3.4Å; L499-S503 PolarHBondContact O-OG 2.85Å; A500-S503 PolarHBondContact O-N 3.34Å; V501-S503 VanDerWaalsContact C-N 3.33Å; V501-S503 PolarHBondContact O-N 3.45Å; S503-F505 PolarHBondContact O-N 3.41Å; S503-S506 PolarHBondContact O-N 2.96Å; S503-L507 WeakPolarHBondContact O-CB 3.47Å; S503-L507 VanDerWaalsContact O-CG 3.29Å; S503-L507 WeakPolarHBondContact O-CG 3.35Å; S503-L507 PolarHBondContact O-N 2.96Å |
| 504 | L | 98 | Very high | 97.5 | Very high | 119 Ų | 119 | 89.9 Ų | 89.9 | 62% | 0.623 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.4 | -41.1 | 174.7 | -71.7 | 172.4 | 0 | 0 | 0 | 111.9 | A500 V501 L507 Y508 | A500-L504 WeakPolarHBondContact O-CB 3.38Å; A500-L504 VanDerWaalsContact O-CG 3.27Å; A500-L504 WeakPolarHBondContact O-CG 3.42Å; A500-L504 PolarHBondContact O-N 3.39Å; V501-L504 PolarHBondContact O-N 3.03Å; L504-L507 PolarHBondContact O-N 2.86Å; L504-Y508 WeakPolarHBondContact O-CB 3.25Å; L504-Y508 PolarHBondContact O-N 2.94Å |
| 505 | F | 97.9 | Very high | 97.3 | Very high | 128 Ų | 128 | 92.8 Ų | 92.8 | 56% | 0.561 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64 | -43.8 | 175.7 | -175.3 | -103 | 0 | 0 | 0 | 111.9 | V501 I502 S503 Y508 I509 | V501-F505 WeakPolarHBondContact O-CB 3.38Å; V501-F505 PolarHBondContact O-N 3.43Å; I502-F505 PolarHBondContact O-N 3.47Å; S503-F505 PolarHBondContact O-N 3.41Å; F505-Y508 WeakPolarHBondContact O-CB 3.22Å; F505-Y508 PolarHBondContact O-N 3.16Å; F505-I509 HydrophobicContact CD1-CG1 4.21Å; F505-I509 HydrophobicContact CE1-CD1 4.34Å; F505-I509 HydrophobicContact CE1-CG1 3.83Å; F505-I509 HydrophobicContact CE2-CD1 4.4Å; F505-I509 HydrophobicContact CE2-CG1 4.42Å; F505-I509 HydrophobicContact CZ-CD1 3.98Å; F505-I509 HydrophobicContact CZ-CG1 3.95Å; F505-I509 WeakPolarHBondContact O-CG1 3.38Å; F505-I509 PolarHBondContact O-N 3.35Å |
| 506 | S | 97.3 | Very high | 97.1 | Very high | 58 Ų | 58 | 91.9 Ų | 91.9 | 41% | 0.406 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 178.3 | -57.5 | 0 | 0 | 0 | 0 | 112.2 | I502 S503 Y508 I509 S510 | I502-S506 WeakPolarHBondContact O-CB 3.31Å; I502-S506 PolarHBondContact O-N 3.15Å; I502-S506 PolarHBondContact O-OG 2.92Å; S503-S506 PolarHBondContact O-N 2.96Å; S506-Y508 VanDerWaalsContact C-N 3.34Å; S506-I509 PolarHBondContact O-N 3.4Å; S506-S510 WeakPolarHBondContact O-CB 3.41Å; S506-S510 PolarHBondContact O-N 3.42Å; S506-S510 PolarHBondContact O-OG 2.9Å |
| 507 | L | 97.5 | Very high | 96.8 | Very high | 117 Ų | 117 | 90.4 Ų | 90.4 | 61% | 0.613 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.4 | -40.5 | 172.9 | -73.4 | 172.1 | 0 | 0 | 0 | 111.4 | S503 L504 S510 Y511 | S503-L507 WeakPolarHBondContact O-CB 3.47Å; S503-L507 VanDerWaalsContact O-CG 3.29Å; S503-L507 WeakPolarHBondContact O-CG 3.35Å; S503-L507 PolarHBondContact O-N 2.96Å; L504-L507 PolarHBondContact O-N 2.86Å; L507-S510 PolarHBondContact O-N 2.79Å; L507-Y511 WeakPolarHBondContact O-CB 3.5Å; L507-Y511 PolarHBondContact O-N 2.96Å |
| 508 | Y | 97.6 | Very high | 96.5 | Very high | 135 Ų | 135 | 91.8 Ų | 91.8 | 53% | 0.529 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 176.2 | 178.1 | -107.1 | 0 | 0 | 0 | 112.5 | L504 F505 S506 Y511 I512 | L504-Y508 WeakPolarHBondContact O-CB 3.25Å; L504-Y508 PolarHBondContact O-N 2.94Å; F505-Y508 WeakPolarHBondContact O-CB 3.22Å; F505-Y508 PolarHBondContact O-N 3.16Å; S506-Y508 VanDerWaalsContact C-N 3.34Å; Y508-Y511 WeakPolarHBondContact O-CB 3.43Å; Y508-Y511 PolarHBondContact O-N 3.01Å; Y508-I512 HydrophobicContact CD1-CD1 3.84Å; Y508-I512 HydrophobicContact CE1-CD1 3.3Å; Y508-I512 HydrophobicContact CE1-CG1 4.34Å; Y508-I512 HydrophobicContact CE2-CD1 4.22Å; Y508-I512 HydrophobicContact CG-CD1 4.5Å; Y508-I512 WeakPolarHBondContact O-CG1 3.49Å; Y508-I512 PolarHBondContact O-N 2.95Å |
| 509 | I | 97.4 | Very high | 96.1 | Very high | 65 Ų | 65 | 93.3 Ų | 93.3 | 33% | 0.333 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 174.8 | -66.1 | -62 | 0 | 0 | 0 | 111.1 | F505 S506 Y511 I512 I513 | F505-I509 HydrophobicContact CD1-CG1 4.21Å; F505-I509 HydrophobicContact CE1-CD1 4.34Å; F505-I509 HydrophobicContact CE1-CG1 3.83Å; F505-I509 HydrophobicContact CE2-CD1 4.4Å; F505-I509 HydrophobicContact CE2-CG1 4.42Å; F505-I509 HydrophobicContact CZ-CD1 3.98Å; F505-I509 HydrophobicContact CZ-CG1 3.95Å; F505-I509 WeakPolarHBondContact O-CG1 3.38Å; F505-I509 PolarHBondContact O-N 3.35Å; S506-I509 PolarHBondContact O-N 3.4Å; I509-Y511 VanDerWaalsContact C-N 3.31Å; I509-Y511 PolarHBondContact O-N 3.13Å; I509-I512 PolarHBondContact O-N 3.35Å; I509-I512 VanDerWaalsContact O-N 3.15Å; I509-I513 HydrophobicContact CG2-CD1 3.78Å; I509-I513 HydrophobicContact CG2-CG1 4.41Å; I509-I513 WeakPolarHBondContact O-CG1 3.31Å; I509-I513 PolarHBondContact O-N 3.47Å |
| 510 | S | 96.4 | Very high | 95.5 | Very high | 70 Ų | 70 | 96.6 Ų | 96.6 | 49% | 0.49 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.3 | -41 | 176.4 | -58.9 | 0 | 0 | 0 | 0 | 111.6 | S506 L507 I513 L514 | S506-S510 WeakPolarHBondContact O-CB 3.41Å; S506-S510 PolarHBondContact O-N 3.42Å; S506-S510 PolarHBondContact O-OG 2.9Å; L507-S510 PolarHBondContact O-N 2.79Å; S510-I513 PolarHBondContact O-N 3.41Å; S510-L514 VanDerWaalsContact O-CB 3.25Å; S510-L514 WeakPolarHBondContact O-CB 3.26Å; S510-L514 PolarHBondContact O-N 3.44Å |
| 511 | Y | 96.8 | Very high | 95 | Very high | 136 Ų | 136 | 98.9 Ų | 98.9 | 53% | 0.533 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 173 | 169.1 | -104.9 | 0 | 0 | 0 | 112.1 | L507 Y508 I509 L514 R515 | L507-Y511 WeakPolarHBondContact O-CB 3.5Å; L507-Y511 PolarHBondContact O-N 2.96Å; Y508-Y511 WeakPolarHBondContact O-CB 3.43Å; Y508-Y511 PolarHBondContact O-N 3.01Å; I509-Y511 VanDerWaalsContact C-N 3.31Å; I509-Y511 PolarHBondContact O-N 3.13Å; Y511-L514 PolarHBondContact O-N 3.13Å; Y511-R515 WeakPolarHBondContact O-CB 3.43Å; Y511-R515 PolarHBondContact O-N 3.3Å |
| 512 | I | 96.5 | Very high | 94.2 | Very high | 72 Ų | 72 | 101 Ų | 101 | 37% | 0.369 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61 | -47.8 | 175 | -71.6 | 171.7 | 0 | 0 | 0 | 111 | Y508 I509 R515 A516 | Y508-I512 HydrophobicContact CD1-CD1 3.84Å; Y508-I512 HydrophobicContact CE1-CD1 3.3Å; Y508-I512 HydrophobicContact CE1-CG1 4.34Å; Y508-I512 HydrophobicContact CE2-CD1 4.22Å; Y508-I512 HydrophobicContact CG-CD1 4.5Å; Y508-I512 WeakPolarHBondContact O-CG1 3.49Å; Y508-I512 PolarHBondContact O-N 2.95Å; I509-I512 PolarHBondContact O-N 3.35Å; I509-I512 VanDerWaalsContact O-N 3.15Å; I512-R515 PolarHBondContact O-N 3.42Å; I512-A516 WeakPolarHBondContact O-CB 3.44Å; I512-A516 PolarHBondContact O-N 3.4Å |
| 513 | I | 95.7 | Very high | 93 | Very high | 99 Ų | 99 | 103.9 Ų | 103.9 | 51% | 0.508 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.1 | -47.9 | 179.7 | -67.5 | 165.9 | 0 | 0 | 0 | 110.1 | I509 S510 R515 A516 V517 | I509-I513 HydrophobicContact CG2-CD1 3.78Å; I509-I513 HydrophobicContact CG2-CG1 4.41Å; I509-I513 WeakPolarHBondContact O-CG1 3.31Å; I509-I513 PolarHBondContact O-N 3.47Å; S510-I513 PolarHBondContact O-N 3.41Å; I513-R515 VanDerWaalsContact C-N 3.32Å; I513-R515 PolarHBondContact O-N 2.89Å; I513-A516 WeakPolarHBondContact O-CB 3.47Å; I513-A516 PolarHBondContact O-N 3.47Å; I513-A516 VanDerWaalsContact O-N 3.09Å; I513-V517 HydrophobicContact CG2-CG2 4.29Å; I513-V517 WeakPolarHBondContact O-CG2 3.46Å; I513-V517 PolarHBondContact O-N 3.29Å |
| 514 | L | 95.2 | Very high | 91.5 | Very high | 99 Ų | 99 | 103.6 Ų | 103.6 | 52% | 0.518 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.7 | -44.2 | 177.8 | -179.9 | 62.3 | 0 | 0 | 0 | 111.1 | S510 Y511 A516 V517 I518 | S510-L514 VanDerWaalsContact O-CB 3.25Å; S510-L514 WeakPolarHBondContact O-CB 3.26Å; S510-L514 PolarHBondContact O-N 3.44Å; Y511-L514 PolarHBondContact O-N 3.13Å; L514-A516 VanDerWaalsContact C-N 3.3Å; L514-A516 PolarHBondContact O-N 3.32Å; L514-V517 PolarHBondContact O-N 3.46Å; L514-I518 HydrophobicContact CD1-CD1 3.95Å; L514-I518 HydrophobicContact CD1-CG1 4.15Å; L514-I518 HydrophobicContact CD2-CD1 4.47Å; L514-I518 HydrophobicContact CG-CD1 3.8Å; L514-I518 HydrophobicContact CG-CG1 4.39Å; L514-I518 WeakPolarHBondContact O-CB 3.46Å; L514-I518 VanDerWaalsContact O-CG1 3.25Å; L514-I518 WeakPolarHBondContact O-CG1 3.44Å; L514-I518 PolarHBondContact O-N 3.17Å |
| 515 | R | 94.2 | Very high | 89.6 | Confident | 121 Ų | 121 | 104.7 Ų | 104.7 | 46% | 0.457 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.5 | -39.7 | 174.8 | -173.2 | -177.1 | -175.1 | -163.8 | 5.1 | 111.7 | Y511 I512 I513 R519 | Y511-R515 WeakPolarHBondContact O-CB 3.43Å; Y511-R515 PolarHBondContact O-N 3.3Å; I512-R515 PolarHBondContact O-N 3.42Å; I513-R515 VanDerWaalsContact C-N 3.32Å; I513-R515 PolarHBondContact O-N 2.89Å; R515-R519 VanDerWaalsContact NH2-NH2 3.2Å; R515-R519 WeakPolarHBondContact O-CB 3.43Å; R515-R519 VanDerWaalsContact O-CG 3.28Å; R515-R519 WeakPolarHBondContact O-CG 3.47Å; R515-R519 PolarHBondContact O-N 2.65Å |
| 516 | A | 92.9 | Very high | 87.7 | Confident | 55 Ų | 55 | 102.7 Ų | 102.7 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.6 | -43.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I512 I513 L514 R519 K520 | I512-A516 WeakPolarHBondContact O-CB 3.44Å; I512-A516 PolarHBondContact O-N 3.4Å; I513-A516 WeakPolarHBondContact O-CB 3.47Å; I513-A516 PolarHBondContact O-N 3.47Å; I513-A516 VanDerWaalsContact O-N 3.09Å; L514-A516 VanDerWaalsContact C-N 3.3Å; L514-A516 PolarHBondContact O-N 3.32Å; A516-R519 PolarHBondContact O-N 2.95Å; A516-K520 WeakPolarHBondContact O-CB 3.24Å; A516-K520 PolarHBondContact O-N 2.89Å |
| 517 | V | 92.6 | Very high | 85.8 | Confident | 70 Ų | 70 | 103.3 Ų | 103.3 | 42% | 0.424 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.2 | -47.4 | 176.4 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | I513 L514 R519 K520 I521 | I513-V517 HydrophobicContact CG2-CG2 4.29Å; I513-V517 WeakPolarHBondContact O-CG2 3.46Å; I513-V517 PolarHBondContact O-N 3.29Å; L514-V517 PolarHBondContact O-N 3.46Å; V517-R519 PolarHBondContact O-N 2.9Å; V517-K520 PolarHBondContact O-N 3.47Å; V517-K520 VanDerWaalsContact O-N 3.13Å; V517-I521 HydrophobicContact CG1-CD1 3.75Å; V517-I521 HydrophobicContact CG1-CG1 4.4Å; V517-I521 WeakPolarHBondContact O-CG1 3.4Å; V517-I521 PolarHBondContact O-N 3.33Å |
| 518 | I | 91.7 | Very high | 83.8 | Confident | 80 Ų | 80 | 103.9 Ų | 103.9 | 41% | 0.41 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.1 | -48.6 | 175.4 | -71.2 | 171.9 | 0 | 0 | 0 | 109.9 | L514 K520 I521 F522 | L514-I518 HydrophobicContact CD1-CD1 3.95Å; L514-I518 HydrophobicContact CD1-CG1 4.15Å; L514-I518 HydrophobicContact CD2-CD1 4.47Å; L514-I518 HydrophobicContact CG-CD1 3.8Å; L514-I518 HydrophobicContact CG-CG1 4.39Å; L514-I518 WeakPolarHBondContact O-CB 3.46Å; L514-I518 VanDerWaalsContact O-CG1 3.25Å; L514-I518 WeakPolarHBondContact O-CG1 3.44Å; L514-I518 PolarHBondContact O-N 3.17Å; I518-K520 VanDerWaalsContact C-N 3.31Å; I518-K520 PolarHBondContact O-N 2.91Å; I518-I521 PolarHBondContact O-N 3.36Å; I518-F522 HydrophobicContact CG2-CD2 3.67Å; I518-F522 HydrophobicContact CG2-CE2 3.94Å; I518-F522 WeakPolarHBondContact O-CD2 3.05Å; I518-F522 PolarHBondContact O-N 3.05Å |
| 519 | R | 88.9 | Confident | 81.9 | Confident | 132 Ų | 132 | 102.7 Ų | 102.7 | 50% | 0.498 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -55 | -47.6 | 174.5 | -80.5 | 176.8 | 170.5 | -174 | -5.4 | 111.1 | R515 A516 V517 I521 F522 F523 | R515-R519 VanDerWaalsContact NH2-NH2 3.2Å; R515-R519 WeakPolarHBondContact O-CB 3.43Å; R515-R519 VanDerWaalsContact O-CG 3.28Å; R515-R519 WeakPolarHBondContact O-CG 3.47Å; R515-R519 PolarHBondContact O-N 2.65Å; A516-R519 PolarHBondContact O-N 2.95Å; V517-R519 PolarHBondContact O-N 2.9Å; R519-I521 PolarHBondContact O-N 3.25Å; R519-F522 PolarHBondContact O-N 2.8Å; R519-F523 HydrophobicContact CB-CD2 4.27Å; R519-F523 HydrophobicContact CG-CE2 4.42Å; R519-F523 VanDerWaalsContact O-CB 3.31Å; R519-F523 WeakPolarHBondContact O-CB 3.31Å; R519-F523 VanDerWaalsContact O-CD2 3.25Å; R519-F523 WeakPolarHBondContact O-CD2 3.21Å; R519-F523 PolarHBondContact O-N 2.78Å |
| 520 | K | 87.4 | Confident | 79.8 | Confident | 168 Ų | 168 | 107.6 Ų | 107.6 | 73% | 0.73 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.5 | -44.3 | -179.9 | -164.9 | 177.2 | -179.6 | -178.4 | 0 | 112.4 | A516 V517 I518 S524 | A516-K520 WeakPolarHBondContact O-CB 3.24Å; A516-K520 PolarHBondContact O-N 2.89Å; V517-K520 PolarHBondContact O-N 3.47Å; V517-K520 VanDerWaalsContact O-N 3.13Å; I518-K520 VanDerWaalsContact C-N 3.31Å; I518-K520 PolarHBondContact O-N 2.91Å; K520-S524 WeakPolarHBondContact O-CB 3.18Å; K520-S524 PolarHBondContact O-N 2.98Å |
| 521 | I | 86.6 | Confident | 77.9 | Confident | 95 Ų | 95 | 108.2 Ų | 108.2 | 49% | 0.487 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.1 | -45.6 | -179.9 | -66.7 | 170.2 | 0 | 0 | 0 | 111.5 | V517 I518 R519 K525 | V517-I521 HydrophobicContact CG1-CD1 3.75Å; V517-I521 HydrophobicContact CG1-CG1 4.4Å; V517-I521 WeakPolarHBondContact O-CG1 3.4Å; V517-I521 PolarHBondContact O-N 3.33Å; I518-I521 PolarHBondContact O-N 3.36Å; R519-I521 PolarHBondContact O-N 3.25Å; I521-K525 PolarHBondContact O-N 2.97Å |
| 522 | F | 81.6 | Confident | 75.6 | Confident | 143 Ų | 143 | 110.7 Ų | 110.7 | 63% | 0.627 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -76.2 | -35.8 | -177.7 | -79.3 | -84.5 | 0 | 0 | 0 | 113.1 | I518 R519 | I518-F522 HydrophobicContact CG2-CD2 3.67Å; I518-F522 HydrophobicContact CG2-CE2 3.94Å; I518-F522 WeakPolarHBondContact O-CD2 3.05Å; I518-F522 PolarHBondContact O-N 3.05Å; R519-F522 PolarHBondContact O-N 2.8Å |
| 523 | F | 73.6 | Confident | 73.5 | Confident | 152 Ų | 152 | 113 Ų | 113 | 67% | 0.667 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -75.4 | -30.9 | 176.1 | -80 | -78.8 | 0 | 0 | 0 | 113.1 | R519 K525 C526 S527 | R519-F523 HydrophobicContact CB-CD2 4.27Å; R519-F523 HydrophobicContact CG-CE2 4.42Å; R519-F523 VanDerWaalsContact O-CB 3.31Å; R519-F523 WeakPolarHBondContact O-CB 3.31Å; R519-F523 VanDerWaalsContact O-CD2 3.25Å; R519-F523 WeakPolarHBondContact O-CD2 3.21Å; R519-F523 PolarHBondContact O-N 2.78Å; F523-K525 VanDerWaalsContact C-N 3.34Å; F523-K525 PolarHBondContact O-N 3.23Å; F523-C526 PolarHBondContact O-N 3.39Å; F523-S527 PolarHBondContact O-N 2.66Å |
| 524 | S | 65.7 | Low | 71 | Confident | 62 Ų | 62 | 120 Ų | 120 | 43% | 0.434 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.3 | -33.6 | 174.2 | -172.6 | 0 | 0 | 0 | 0 | 112.8 | K520 C526 S527 E528 | K520-S524 WeakPolarHBondContact O-CB 3.18Å; K520-S524 PolarHBondContact O-N 2.98Å; S524-C526 VanDerWaalsContact C-N 3.33Å; S524-S527 PolarHBondContact O-N 3.22Å; S524-S527 PolarHBondContact O-OG 3.44Å; S524-E528 PolarHBondContact O-N 2.93Å |
| 525 | K | 58.4 | Low | 69.8 | Low | 141 Ų | 141 | 121 Ų | 121 | 61% | 0.613 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -68.8 | -31.4 | 174.3 | -78.6 | -174.5 | 175.2 | -177.2 | 0 | 112.4 | I521 F523 S527 V529 | I521-K525 PolarHBondContact O-N 2.97Å; F523-K525 VanDerWaalsContact C-N 3.34Å; F523-K525 PolarHBondContact O-N 3.23Å; K525-S527 VanDerWaalsContact C-N 3.34Å; K525-V529 WeakPolarHBondContact O-CG2 3.43Å; K525-V529 PolarHBondContact O-N 2.9Å |
| 526 | C | 57.7 | Low | 68.5 | Low | 87 Ų | 87 | 121 Ų | 121 | 59% | 0.588 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -70.6 | -26.7 | 174 | -87.9 | 0 | 0 | 0 | 0 | 113.5 | F523 S524 | F523-C526 PolarHBondContact O-N 3.39Å; S524-C526 VanDerWaalsContact C-N 3.33Å |
| 527 | S | 58.1 | Low | 67.2 | Low | 71 Ų | 71 | 124.7 Ų | 124.7 | 50% | 0.497 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -78.3 | -36.7 | 175.3 | 51.8 | 0 | 0 | 0 | 0 | 113.1 | F523 S524 K525 K530 S531 | F523-S527 PolarHBondContact O-N 2.66Å; S524-S527 PolarHBondContact O-N 3.22Å; S524-S527 PolarHBondContact O-OG 3.44Å; K525-S527 VanDerWaalsContact C-N 3.34Å; S527-K530 PolarHBondContact O-N 3.17Å; S527-S531 PolarHBondContact O-N 3.12Å |
| 528 | E | 55.7 | Low | 65.7 | Low | 129 Ų | 129 | 127.9 Ų | 127.9 | 60% | 0.603 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -70.7 | -32 | 177.4 | -80.8 | -175.1 | 160.7 | 0 | 0 | 113.4 | S524 K530 S531 | S524-E528 PolarHBondContact O-N 2.93Å; E528-K530 PolarHBondContact O-N 3.21Å; E528-S531 PolarHBondContact O-N 3.2Å; E528-S531 PolarHBondContact O-OG 2.68Å |
| 529 | V | 57 | Low | 64 | Low | 109 Ų | 109 | 130.9 Ų | 130.9 | 66% | 0.661 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -65.9 | -25.9 | 174.1 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | K525 T533 | K525-V529 WeakPolarHBondContact O-CG2 3.43Å; K525-V529 PolarHBondContact O-N 2.9Å; V529-T533 PolarHBondContact O-OG1 3.49Å |
| 530 | K | 54.2 | Low | 62.4 | Low | 169 Ų | 169 | 130.8 Ų | 130.8 | 74% | 0.735 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -78.5 | -25.8 | 175.5 | -76.8 | -174.5 | 173 | -174.2 | 0 | 113.8 | S527 E528 T533 | S527-K530 PolarHBondContact O-N 3.17Å; E528-K530 PolarHBondContact O-N 3.21Å; K530-T533 PolarHBondContact O-OG1 3.4Å |
| 531 | S | 55.1 | Low | 60.6 | Low | 82 Ų | 82 | 128.1 Ų | 128.1 | 57% | 0.573 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -90.2 | -4.5 | -177.3 | 72.7 | 0 | 0 | 0 | 0 | 115 | S527 E528 | S527-S531 PolarHBondContact O-N 3.12Å; E528-S531 PolarHBondContact O-N 3.2Å; E528-S531 PolarHBondContact O-OG 2.68Å |
| 532 | K | 49.6 | Very low | 58.6 | Low | 189 Ų | 189 | 130.7 Ų | 130.7 | 82% | 0.822 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 9.6 | 173.5 | -81.1 | -172.7 | 175.2 | 179.9 | 0 | 114.1 | ||
| 533 | T | 52.6 | Low | 56.7 | Low | 121 Ų | 121 | 129.7 Ų | 129.7 | 74% | 0.742 | 67% | 0.673 | S | S | * | * | trans | -113.4 | 13.7 | 179.4 | 19.8 | 0 | 0 | 0 | 0 | 113.8 | V529 K530 | V529-T533 PolarHBondContact O-OG1 3.49Å; K530-T533 PolarHBondContact O-OG1 3.4Å | ||
| 534 | E | 42.6 | Very low | 55.2 | Low | 244 Ų | 244 | 127.6 Ų | 127.6 | 100% | 1.14 | 67% | 0.673 | S | S | * | * | trans | -105.5 | 0 | 160 | -71.7 | -178.5 | 165 | 0 | 0 | 108.3 |
Retrieved 534 of 534 residues in 521.6 ms
(Link to these results)