| 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 | 33.9 | Very low | 41 | Very low | 237 Ų | 237 | 120.5 Ų | 120.5 | 100% | 1.167 | 77% | 0.773 | S | S | * | * | 0 | 103.5 | 0 | -58.4 | -165.1 | -141.3 | 0 | 0 | 105.6 | |||||
| 2 | A | 31.5 | Very low | 42.8 | Very low | 100 Ų | 100 | 117.8 Ų | 117.8 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | 47.8 | 121.4 | 78.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 3 | S | 30.4 | Very low | 45.3 | Very low | 113 Ų | 113 | 111.8 Ų | 111.8 | 79% | 0.79 | 73% | 0.727 | S | S | * | * | cis | -163 | 152.7 | 34 | 49.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 4 | S | 36.3 | Very low | 47.7 | Very low | 107 Ų | 107 | 107.1 Ų | 107.1 | 75% | 0.748 | 69% | 0.693 | S | S | * | * | trans | -52.3 | 147.2 | 162.4 | 54.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 5 | V | 33.5 | Very low | 49.8 | Very low | 149 Ų | 149 | 102.1 Ų | 102.1 | 90% | 0.903 | 66% | 0.664 | S | S | * | * | trans | -141.8 | 130.3 | 134.8 | -176.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 6 | G | 34.4 | Very low | 51.8 | Low | 69 Ų | 69 | 102.4 Ų | 102.4 | 71% | 0.711 | 65% | 0.654 | S | S | * | * | trans | -94 | 158.8 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 7 | N | 46.5 | Very low | 53.9 | Low | 157 Ų | 157 | 100.7 Ų | 100.7 | 84% | 0.84 | 64% | 0.638 | S | S | * | * | trans | -50.1 | 139.3 | 164.4 | -86.4 | -27.3 | 0 | 0 | 0 | 113 | ||||
| 8 | V | 39.8 | Very low | 55.6 | Low | 150 Ų | 150 | 95.1 Ų | 95.1 | 91% | 0.909 | 60% | 0.603 | S | S | * | * | trans | -126.1 | 88.2 | 144.1 | -175.3 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 9 | A | 46.7 | Very low | 57.2 | Low | 80 Ų | 80 | 94.7 Ų | 94.7 | 66% | 0.661 | 59% | 0.592 | S | S | * | * | trans | -84.9 | 136.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | S11 | A9-S11 PolarHBondContact O-N 3.12Š| ||
| 10 | D | 57.7 | Low | 58.7 | Low | 115 Ų | 115 | 97.7 Ų | 97.7 | 62% | 0.615 | 59% | 0.592 | S | S | * | * | trans | -58 | 99.1 | -168.8 | -163.2 | -4 | 0 | 0 | 0 | 113 | T12 G13 | D10-T12 PolarHBondContact O-N 2.77Å; D10-T12 WeakPolarHBondContact OD1-CB 3.33Å; D10-T12 PolarHBondContact OD1-OG1 2.88Å; D10-G13 PolarHBondContact O-N 3.22Å | ||
| 11 | S | 60.6 | Low | 60.1 | Low | 48 Ų | 48 | 94.5 Ų | 94.5 | 34% | 0.336 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.3 | -26.3 | 179.5 | 51.5 | 0 | 0 | 0 | 0 | 112.7 | A9 A15 | A9-S11 PolarHBondContact O-N 3.12Å; S11-A15 PolarHBondContact O-N 3.38Å |
| 12 | T | 62.8 | Low | 62.8 | Low | 89 Ų | 89 | 86 Ų | 86 | 55% | 0.546 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.8 | -41.9 | 176.3 | -10.3 | 0 | 0 | 0 | 0 | 112.4 | D10 A15 E16 | D10-T12 PolarHBondContact O-N 2.77Å; D10-T12 WeakPolarHBondContact OD1-CB 3.33Å; D10-T12 PolarHBondContact OD1-OG1 2.88Å; T12-A15 PolarHBondContact O-N 2.92Å; T12-E16 PolarHBondContact O-N 3.28Å |
| 13 | G | 75 | Confident | 65.4 | Low | 39 Ų | 39 | 88.4 Ų | 88.4 | 40% | 0.402 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69 | -33.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D10 L17 | D10-G13 PolarHBondContact O-N 3.22Å; G13-L17 PolarHBondContact O-N 2.79Å |
| 14 | L | 79.6 | Confident | 68 | Low | 47 Ų | 47 | 87.4 Ų | 87.4 | 25% | 0.246 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -73.7 | -34.6 | 178.7 | -138.1 | 96.3 | 0 | 0 | 0 | 112.1 | L17 A18 H33 Q36 L37 | L14-L17 PolarHBondContact O-N 2.93Å; L14-A18 PolarHBondContact O-N 3.03Å; L14-H33 HydrophobicContact CD2-CB 4.3Å; L14-Q36 HydrophobicContact CD2-CB 4.41Å; L14-Q36 HydrophobicContact CD2-CG 4.3Å; L14-L37 HydrophobicContact CB-CD1 4.24Å; L14-L37 HydrophobicContact CB-CD2 4.03Å; L14-L37 HydrophobicContact CB-CG 4.27Å; L14-L37 HydrophobicContact CD2-CD1 4.28Å; L14-L37 HydrophobicContact CD2-CD2 4.17Å; L14-L37 HydrophobicContact CD2-CG 3.81Å |
| 15 | A | 78.8 | Confident | 70.2 | Confident | 32 Ų | 32 | 84.2 Ų | 84.2 | 26% | 0.264 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.5 | -37.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S11 T12 H19 L37 | S11-A15 PolarHBondContact O-N 3.38Å; T12-A15 PolarHBondContact O-N 2.92Å; A15-H19 PolarHBondContact O-N 3.32Å; A15-H19 PolarHBondContact O-ND1 2.77Å; A15-H19 VanDerWaalsContact O-ND1 3.14Å; A15-L37 HydrophobicContact CB-CD1 3.95Å |
| 16 | E | 82.3 | Confident | 72.8 | Confident | 107 Ų | 107 | 80.9 Ų | 80.9 | 50% | 0.5 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.4 | -40.2 | 171.9 | -74.3 | -171.6 | -170.7 | 0 | 0 | 112.2 | T12 H19 R20 | T12-E16 PolarHBondContact O-N 3.28Å; E16-H19 PolarHBondContact O-N 2.98Å; E16-R20 WeakPolarHBondContact O-CG 3.37Å; E16-R20 PolarHBondContact O-N 3.15Å; E16-R20 IonicContact OE2-NH2 3.1Å; E16-R20 PolarHBondContact OE2-NH2 3.34Å; E16-R20 VanDerWaalsContact OE2-NH2 3.1Å |
| 17 | L | 86.4 | Confident | 75.4 | Confident | 73 Ų | 73 | 80.2 Ų | 80.2 | 38% | 0.382 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.2 | -47.7 | 177.2 | -177.9 | 64.1 | 0 | 0 | 0 | 111 | G13 L14 H19 R20 E21 | G13-L17 PolarHBondContact O-N 2.79Å; L14-L17 PolarHBondContact O-N 2.93Å; L17-H19 VanDerWaalsContact C-N 3.3Å; L17-H19 PolarHBondContact O-N 3.44Å; L17-R20 PolarHBondContact O-N 3.29Å; L17-R20 VanDerWaalsContact O-N 3.14Å; L17-E21 HydrophobicContact CD1-CG 4.46Å; L17-E21 WeakPolarHBondContact O-CG 3.42Å; L17-E21 PolarHBondContact O-N 3.22Å |
| 18 | A | 85.2 | Confident | 77.2 | Confident | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -62.2 | -36.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L14 Y22 H33 L50 | L14-A18 PolarHBondContact O-N 3.03Å; A18-Y22 WeakPolarHBondContact O-CB 3.32Å; A18-Y22 PolarHBondContact O-N 2.96Å; A18-H33 HydrophobicContact CB-CB 3.98Å; A18-L50 HydrophobicContact CB-CD2 4.22Å |
| 19 | H | 85.5 | Confident | 79.3 | Confident | 88 Ų | 88 | 72.8 Ų | 72.8 | 41% | 0.407 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.9 | -42.6 | 172.9 | -90.3 | 82.4 | 0 | 0 | 0 | 112.4 | A15 E16 L17 Y22 Q23 L50 | A15-H19 PolarHBondContact O-N 3.32Å; A15-H19 PolarHBondContact O-ND1 2.77Å; A15-H19 VanDerWaalsContact O-ND1 3.14Å; E16-H19 PolarHBondContact O-N 2.98Å; L17-H19 VanDerWaalsContact C-N 3.3Å; L17-H19 PolarHBondContact O-N 3.44Å; H19-Y22 PolarHBondContact O-N 3.3Å; H19-Q23 WeakPolarHBondContact O-CG 3.31Å; H19-Q23 PolarHBondContact O-N 2.84Å; H19-L50 WeakPolarHBondContact ND1-CD2 3.24Å |
| 20 | R | 87.2 | Confident | 81.3 | Confident | 154 Ų | 154 | 69 Ų | 69 | 58% | 0.581 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -64.5 | -41.8 | 177.2 | -71.1 | -178.8 | -151.8 | 177.1 | 9.2 | 111.6 | E16 L17 Q23 S24 | E16-R20 WeakPolarHBondContact O-CG 3.37Å; E16-R20 PolarHBondContact O-N 3.15Å; E16-R20 IonicContact OE2-NH2 3.1Å; E16-R20 PolarHBondContact OE2-NH2 3.34Å; E16-R20 VanDerWaalsContact OE2-NH2 3.1Å; L17-R20 PolarHBondContact O-N 3.29Å; L17-R20 VanDerWaalsContact O-N 3.14Å; R20-Q23 PolarHBondContact O-N 3Å; R20-S24 PolarHBondContact O-N 3.26Å; R20-S24 PolarHBondContact O-OG 3.38Å |
| 21 | E | 88.9 | Confident | 82.9 | Confident | 30 Ų | 30 | 64.8 Ų | 64.8 | 14% | 0.14 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.5 | -40.6 | 177 | -71.9 | 171.3 | 164.1 | 0 | 0 | 111.9 | L17 S24 G25 D26 A29 A30 H33 | L17-E21 HydrophobicContact CD1-CG 4.46Å; L17-E21 WeakPolarHBondContact O-CG 3.42Å; L17-E21 PolarHBondContact O-N 3.22Å; E21-S24 WeakPolarHBondContact CA-OG 3.24Å; E21-S24 PolarHBondContact O-N 3.14Å; E21-S24 PolarHBondContact O-OG 3.34Å; E21-G25 PolarHBondContact O-N 2.95Å; E21-D26 PolarHBondContact O-N 3.13Å; E21-A29 HydrophobicContact CG-CB 4.25Å; E21-A30 HydrophobicContact CB-CB 3.84Å; E21-A30 WeakPolarHBondContact OE2-CA 3.16Å; E21-A30 PolarHBondContact OE2-N 2.8Å; E21-H33 VanDerWaalsContact CD-ND1 3.34Å; E21-H33 IonicContact OE1-CE1 3.71Å; E21-H33 PolarHBondContact OE1-CE1 3.13Å; E21-H33 IonicContact OE1-ND1 2.89Å; E21-H33 PolarHBondContact OE1-ND1 3.26Å; E21-H33 IonicContact OE2-CE1 2.71Å; E21-H33 IonicContact OE2-CG 3.14Å; E21-H33 IonicContact OE2-ND1 3.42Å; E21-H33 PolarHBondContact OE2-ND1 3.4Å |
| 22 | Y | 88.9 | Confident | 84.2 | Confident | 58 Ų | 58 | 70.2 Ų | 70.2 | 23% | 0.227 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 172.2 | 174.6 | -101.7 | 0 | 0 | 0 | 111.8 | A18 H19 S24 G25 F27 L50 I54 Q57 | A18-Y22 WeakPolarHBondContact O-CB 3.32Å; A18-Y22 PolarHBondContact O-N 2.96Å; H19-Y22 PolarHBondContact O-N 3.3Å; Y22-S24 VanDerWaalsContact C-N 3.32Å; Y22-S24 PolarHBondContact O-N 3.49Å; Y22-G25 PolarHBondContact O-N 2.62Å; Y22-G25 VanDerWaalsContact O-N 3.14Å; Y22-F27 AromaticContact CD2-CD1 3.74Å; Y22-F27 HydrophobicContact CD2-CD1 3.74Å; Y22-F27 AromaticContact CD2-CE1 3.64Å; Y22-F27 HydrophobicContact CD2-CE1 3.64Å; Y22-F27 HydrophobicContact CE2-CD1 4.08Å; Y22-F27 AromaticContact CE2-CE1 3.7Å; Y22-F27 HydrophobicContact CE2-CE1 3.7Å; Y22-L50 HydrophobicContact CD1-CD1 3.84Å; Y22-L50 HydrophobicContact CD2-CD1 4.04Å; Y22-L50 HydrophobicContact CE1-CD1 4.41Å; Y22-L50 HydrophobicContact CG-CD1 3.63Å; Y22-I54 HydrophobicContact CD2-CB 4.49Å; Y22-I54 HydrophobicContact CD2-CG1 3.48Å; Y22-I54 VanDerWaalsContact CD2-CG1 3.48Å; Y22-I54 HydrophobicContact CE2-CG1 4.07Å; Y22-I54 HydrophobicContact CG-CG1 4.36Å; Y22-Q57 HydrophobicContact CE2-CG 3.99Å |
| 23 | Q | 86.8 | Confident | 85.4 | Confident | 152 Ų | 152 | 67.7 Ų | 67.7 | 71% | 0.71 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -65.9 | -32.5 | 177.9 | -73.9 | 177.2 | -9.7 | 0 | 0 | 112.8 | H19 R20 G25 | H19-Q23 WeakPolarHBondContact O-CG 3.31Å; H19-Q23 PolarHBondContact O-N 2.84Å; R20-Q23 PolarHBondContact O-N 3Å; Q23-G25 VanDerWaalsContact C-N 3.25Å; Q23-G25 PolarHBondContact O-N 3.48Å |
| 24 | S | 85.8 | Confident | 86 | Confident | 92 Ų | 92 | 65.9 Ų | 65.9 | 64% | 0.643 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -2.3 | 174.9 | 62.9 | 0 | 0 | 0 | 0 | 113.9 | R20 E21 Y22 | R20-S24 PolarHBondContact O-N 3.26Å; R20-S24 PolarHBondContact O-OG 3.38Å; E21-S24 WeakPolarHBondContact CA-OG 3.24Å; E21-S24 PolarHBondContact O-N 3.14Å; E21-S24 PolarHBondContact O-OG 3.34Å; Y22-S24 VanDerWaalsContact C-N 3.32Å; Y22-S24 PolarHBondContact O-N 3.49Å |
| 25 | G | 82.2 | Confident | 86.5 | Confident | 39 Ų | 39 | 65.7 Ų | 65.7 | 40% | 0.402 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | 9.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | E21 Y22 Q23 F27 | E21-G25 PolarHBondContact O-N 2.95Å; Y22-G25 PolarHBondContact O-N 2.62Å; Y22-G25 VanDerWaalsContact O-N 3.14Å; Q23-G25 VanDerWaalsContact C-N 3.25Å; Q23-G25 PolarHBondContact O-N 3.48Å; G25-F27 VanDerWaalsContact C-N 3.27Å; G25-F27 WeakPolarHBondContact O-CD2 3.35Å; G25-F27 PolarHBondContact O-N 3.37Å; G25-F27 VanDerWaalsContact O-N 3.09Å |
| 26 | D | 88.1 | Confident | 86.9 | Confident | 80 Ų | 80 | 68.5 Ų | 68.5 | 43% | 0.428 | 33% | 0.33 | S | S | . | . | trans | -86.1 | 73.7 | 173.3 | -168.9 | -16.7 | 0 | 0 | 0 | 109.7 | E21 E28 A29 A30 | E21-D26 PolarHBondContact O-N 3.13Å; D26-E28 PolarHBondContact O-N 3.16Å; D26-A29 HydrophobicContact CB-CB 4.36Å; D26-A29 VanDerWaalsContact CG-CB 3.48Å; D26-A29 PolarHBondContact O-N 2.8Å; D26-A29 WeakPolarHBondContact OD1-CB 3.48Å; D26-A29 PolarHBondContact OD1-N 2.86Å; D26-A30 WeakPolarHBondContact O-CB 3.31Å; D26-A30 PolarHBondContact O-N 2.84Å | ||
| 27 | F | 88.8 | Confident | 87 | Confident | 55 Ų | 55 | 63.6 Ų | 63.6 | 24% | 0.241 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.3 | -24.8 | -175 | -58.8 | -54.5 | 0 | 0 | 0 | 113.3 | Y22 G25 E31 I54 Q57 C58 | Y22-F27 AromaticContact CD2-CD1 3.74Å; Y22-F27 HydrophobicContact CD2-CD1 3.74Å; Y22-F27 AromaticContact CD2-CE1 3.64Å; Y22-F27 HydrophobicContact CD2-CE1 3.64Å; Y22-F27 HydrophobicContact CE2-CD1 4.08Å; Y22-F27 AromaticContact CE2-CE1 3.7Å; Y22-F27 HydrophobicContact CE2-CE1 3.7Å; G25-F27 VanDerWaalsContact C-N 3.27Å; G25-F27 WeakPolarHBondContact O-CD2 3.35Å; G25-F27 PolarHBondContact O-N 3.37Å; G25-F27 VanDerWaalsContact O-N 3.09Å; F27-E31 VanDerWaalsContact O-CB 3.24Å; F27-E31 WeakPolarHBondContact O-CB 3.11Å; F27-E31 PolarHBondContact O-N 2.8Å; F27-I54 HydrophobicContact CB-CG2 4.18Å; F27-I54 WeakPolarHBondContact O-CG2 3.33Å; F27-Q57 HydrophobicContact CD1-CB 4.22Å; F27-Q57 HydrophobicContact CD2-CB 4.33Å; F27-Q57 HydrophobicContact CE1-CB 3.84Å; F27-Q57 HydrophobicContact CE1-CG 3.93Å; F27-Q57 HydrophobicContact CE2-CB 3.94Å; F27-Q57 HydrophobicContact CG-CB 4.46Å; F27-Q57 HydrophobicContact CZ-CB 3.68Å; F27-Q57 HydrophobicContact CZ-CG 3.91Å; F27-C58 VanDerWaalsContact CB-SG 3.55Å |
| 28 | E | 85.3 | Confident | 87 | Confident | 146 Ų | 146 | 63.1 Ų | 63.1 | 68% | 0.682 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -77.5 | -40.3 | 178.8 | -71.7 | -170.1 | 171.2 | 0 | 0 | 112.4 | D26 R32 | D26-E28 PolarHBondContact O-N 3.16Å; E28-R32 WeakPolarHBondContact O-CG 3.39Å; E28-R32 PolarHBondContact O-N 3.39Å; E28-R32 PolarHBondContact O-NE 3.02Å |
| 29 | A | 83.8 | Confident | 87.1 | Confident | 4 Ų | 4 | 72.5 Ų | 72.5 | 3% | 0.033 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.5 | -45.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111 | E21 D26 E31 R32 H33 | E21-A29 HydrophobicContact CG-CB 4.25Å; D26-A29 HydrophobicContact CB-CB 4.36Å; D26-A29 VanDerWaalsContact CG-CB 3.48Å; D26-A29 PolarHBondContact O-N 2.8Å; D26-A29 WeakPolarHBondContact OD1-CB 3.48Å; D26-A29 PolarHBondContact OD1-N 2.86Å; A29-E31 VanDerWaalsContact C-N 3.34Å; A29-E31 PolarHBondContact O-N 3.26Å; A29-R32 PolarHBondContact O-N 2.97Å; A29-R32 VanDerWaalsContact O-N 3.13Å; A29-H33 PolarHBondContact O-N 3.5Å; A29-H33 PolarHBondContact O-ND1 3.23Å |
| 30 | A | 88.1 | Confident | 87 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.2 | -43.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | E21 D26 R32 H33 C34 I54 | E21-A30 HydrophobicContact CB-CB 3.84Å; E21-A30 WeakPolarHBondContact OE2-CA 3.16Å; E21-A30 PolarHBondContact OE2-N 2.8Å; D26-A30 WeakPolarHBondContact O-CB 3.31Å; D26-A30 PolarHBondContact O-N 2.84Å; A30-R32 PolarHBondContact O-N 3.34Å; A30-H33 PolarHBondContact O-N 2.96Å; A30-C34 VanDerWaalsContact O-CB 3.26Å; A30-C34 WeakPolarHBondContact O-CB 3.5Å; A30-C34 PolarHBondContact O-N 3.02Å; A30-C34 PolarHBondContact O-SG 3.27Å; A30-C34 VanDerWaalsContact O-SG 3.35Å; A30-I54 HydrophobicContact CB-CD1 3.73Å; A30-I54 HydrophobicContact CB-CG1 4.26Å |
| 31 | E | 90.4 | Very high | 86.9 | Confident | 28 Ų | 28 | 70.3 Ų | 70.3 | 13% | 0.131 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.8 | -45.6 | 175.7 | -175.7 | -178.6 | 174.3 | 0 | 0 | 111.3 | F27 A29 H33 C34 M35 I54 H55 R60 R63 | F27-E31 VanDerWaalsContact O-CB 3.24Å; F27-E31 WeakPolarHBondContact O-CB 3.11Å; F27-E31 PolarHBondContact O-N 2.8Å; A29-E31 VanDerWaalsContact C-N 3.34Å; A29-E31 PolarHBondContact O-N 3.26Å; E31-H33 PolarHBondContact O-N 3.41Å; E31-C34 PolarHBondContact O-N 3.46Å; E31-M35 HydrophobicContact CG-CG 4.11Å; E31-M35 VanDerWaalsContact O-CB 3.26Å; E31-M35 WeakPolarHBondContact O-CB 3.45Å; E31-M35 WeakPolarHBondContact O-CG 3.38Å; E31-M35 PolarHBondContact O-N 3.1Å; E31-I54 HydrophobicContact CB-CG2 4.01Å; E31-H55 IonicContact OE1-CE1 2.78Å; E31-H55 PolarHBondContact OE1-CE1 3.23Å; E31-H55 IonicContact OE1-NE2 3.18Å; E31-H55 IonicContact OE2-CE1 3.23Å; E31-R60 VanDerWaalsContact CD-NH1 3.3Å; E31-R60 IonicContact OE1-CZ 3.79Å; E31-R60 IonicContact OE1-NH1 3.65Å; E31-R60 PolarHBondContact OE1-NH1 3.25Å; E31-R60 IonicContact OE2-CZ 2.81Å; E31-R60 IonicContact OE2-NH1 3.61Å; E31-R60 PolarHBondContact OE2-NH1 3.28Å; E31-R60 IonicContact OE2-NH2 2.86Å; E31-R60 PolarHBondContact OE2-NH2 3.5Å; E31-R63 IonicContact OE1-NH1 3.22Å |
| 32 | R | 88.6 | Confident | 86.6 | Confident | 161 Ų | 161 | 72.3 Ų | 72.3 | 61% | 0.608 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -60.6 | -47.3 | -179.4 | -78.9 | -175.8 | -68 | 139.7 | -2.6 | 111.7 | E28 A29 A30 M35 Q36 | E28-R32 WeakPolarHBondContact O-CG 3.39Å; E28-R32 PolarHBondContact O-N 3.39Å; E28-R32 PolarHBondContact O-NE 3.02Å; A29-R32 PolarHBondContact O-N 2.97Å; A29-R32 VanDerWaalsContact O-N 3.13Å; A30-R32 PolarHBondContact O-N 3.34Å; R32-M35 PolarHBondContact O-N 3.19Å; R32-Q36 WeakPolarHBondContact O-CB 3.4Å; R32-Q36 PolarHBondContact O-N 3.12Å |
| 33 | H | 87.8 | Confident | 86.3 | Confident | 36 Ų | 36 | 74.5 Ų | 74.5 | 17% | 0.167 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -70 | -39.4 | 179.8 | -65 | 141.9 | 0 | 0 | 0 | 112.2 | L14 A18 E21 A29 A30 E31 Q36 L37 | L14-H33 HydrophobicContact CD2-CB 4.3Å; A18-H33 HydrophobicContact CB-CB 3.98Å; E21-H33 VanDerWaalsContact CD-ND1 3.34Å; E21-H33 IonicContact OE1-CE1 3.71Å; E21-H33 PolarHBondContact OE1-CE1 3.13Å; E21-H33 IonicContact OE1-ND1 2.89Å; E21-H33 PolarHBondContact OE1-ND1 3.26Å; E21-H33 IonicContact OE2-CE1 2.71Å; E21-H33 IonicContact OE2-CG 3.14Å; E21-H33 IonicContact OE2-ND1 3.42Å; E21-H33 PolarHBondContact OE2-ND1 3.4Å; A29-H33 PolarHBondContact O-N 3.5Å; A29-H33 PolarHBondContact O-ND1 3.23Å; A30-H33 PolarHBondContact O-N 2.96Å; E31-H33 PolarHBondContact O-N 3.41Å; H33-Q36 PolarHBondContact O-N 3.5Å; H33-L37 WeakPolarHBondContact O-CG 3.41Å; H33-L37 PolarHBondContact O-N 3.1Å |
| 34 | C | 88.8 | Confident | 86.3 | Confident | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.007 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.3 | -40 | 172.8 | -76.6 | 0 | 0 | 0 | 0 | 113 | A30 E31 Q36 L37 W38 V47 L50 L51 I54 | A30-C34 VanDerWaalsContact O-CB 3.26Å; A30-C34 WeakPolarHBondContact O-CB 3.5Å; A30-C34 PolarHBondContact O-N 3.02Å; A30-C34 PolarHBondContact O-SG 3.27Å; A30-C34 VanDerWaalsContact O-SG 3.35Å; E31-C34 PolarHBondContact O-N 3.46Å; C34-Q36 VanDerWaalsContact C-N 3.3Å; C34-Q36 PolarHBondContact O-N 3.35Å; C34-L37 PolarHBondContact O-N 3.48Å; C34-W38 VanDerWaalsContact O-CB 3.32Å; C34-W38 WeakPolarHBondContact O-CB 3.41Å; C34-W38 PolarHBondContact O-N 3Å; C34-V47 HydrophobicContact CB-CG1 4.15Å; C34-V47 WeakPolarHBondContact O-CG1 3.41Å; C34-L50 WeakPolarHBondContact SG-CD2 3.34Å; C34-L51 HydrophobicContact CB-CD1 4.37Å; C34-L51 HydrophobicContact CB-CD2 3.47Å; C34-L51 VanDerWaalsContact CB-CD2 3.47Å; C34-L51 HydrophobicContact CB-CG 3.69Å; C34-I54 HydrophobicContact CB-CD1 4.44Å |
| 35 | M | 88.4 | Confident | 86.3 | Confident | 43 Ų | 43 | 67.2 Ų | 67.2 | 21% | 0.212 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67 | -33.1 | 175.9 | -74.3 | -65.4 | -72.1 | 0 | 0 | 111.9 | E31 R32 W38 R39 L51 F67 | E31-M35 HydrophobicContact CG-CG 4.11Å; E31-M35 VanDerWaalsContact O-CB 3.26Å; E31-M35 WeakPolarHBondContact O-CB 3.45Å; E31-M35 WeakPolarHBondContact O-CG 3.38Å; E31-M35 PolarHBondContact O-N 3.1Å; R32-M35 PolarHBondContact O-N 3.19Å; M35-W38 HydrophobicContact CE-CE3 3.94Å; M35-W38 HydrophobicContact CE-CZ3 3.94Å; M35-W38 HydrophobicContact SD-CE3 3.86Å; M35-W38 HydrophobicContact SD-CZ3 4.29Å; M35-R39 VanDerWaalsContact O-CG 3.3Å; M35-R39 WeakPolarHBondContact O-CG 3.31Å; M35-R39 PolarHBondContact O-N 3.45Å; M35-R39 VanDerWaalsContact O-N 3.11Å; M35-L51 HydrophobicContact CG-CD2 3.94Å; M35-L51 HydrophobicContact SD-CD1 4.12Å; M35-L51 HydrophobicContact SD-CD2 3.94Å; M35-F67 HydrophobicContact SD-CZ 3.91Å |
| 36 | Q | 87.1 | Confident | 86.5 | Confident | 91 Ų | 91 | 66.9 Ų | 66.9 | 43% | 0.425 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.9 | -44.6 | 172.9 | -177.7 | 174.5 | -8.3 | 0 | 0 | 111.5 | L14 R32 H33 C34 R39 Q40 | L14-Q36 HydrophobicContact CD2-CB 4.41Å; L14-Q36 HydrophobicContact CD2-CG 4.3Å; R32-Q36 WeakPolarHBondContact O-CB 3.4Å; R32-Q36 PolarHBondContact O-N 3.12Å; H33-Q36 PolarHBondContact O-N 3.5Å; C34-Q36 VanDerWaalsContact C-N 3.3Å; C34-Q36 PolarHBondContact O-N 3.35Å; Q36-R39 PolarHBondContact O-N 2.74Å; Q36-Q40 WeakPolarHBondContact O-CG 3.3Å; Q36-Q40 PolarHBondContact O-N 3.48Å |
| 37 | L | 85.3 | Confident | 86.5 | Confident | 5 Ų | 5 | 63.4 Ų | 63.4 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63 | -43.7 | 174.7 | -76.2 | 164.6 | 0 | 0 | 0 | 112 | L14 A15 H33 C34 R39 Q40 E41 V47 | L14-L37 HydrophobicContact CB-CD1 4.24Å; L14-L37 HydrophobicContact CB-CD2 4.03Å; L14-L37 HydrophobicContact CB-CG 4.27Å; L14-L37 HydrophobicContact CD2-CD1 4.28Å; L14-L37 HydrophobicContact CD2-CD2 4.17Å; L14-L37 HydrophobicContact CD2-CG 3.81Å; A15-L37 HydrophobicContact CB-CD1 3.95Å; H33-L37 WeakPolarHBondContact O-CG 3.41Å; H33-L37 PolarHBondContact O-N 3.1Å; C34-L37 PolarHBondContact O-N 3.48Å; L37-R39 VanDerWaalsContact C-N 3.29Å; L37-R39 PolarHBondContact O-N 3.21Å; L37-Q40 PolarHBondContact O-N 2.94Å; L37-E41 PolarHBondContact O-N 3.18Å; L37-V47 HydrophobicContact CB-CG1 4.13Å; L37-V47 HydrophobicContact CB-CG2 3.93Å; L37-V47 HydrophobicContact CD1-CG2 4.31Å |
| 38 | W | 87.2 | Confident | 86.6 | Confident | 63 Ų | 63 | 61 Ų | 61 | 24% | 0.239 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.9 | -33.3 | 178.6 | -178.3 | 53.4 | 0 | 0 | 0 | 112.7 | C34 M35 Q40 E41 P42 V47 L48 L51 F67 L70 | C34-W38 VanDerWaalsContact O-CB 3.32Å; C34-W38 WeakPolarHBondContact O-CB 3.41Å; C34-W38 PolarHBondContact O-N 3Å; M35-W38 HydrophobicContact CE-CE3 3.94Å; M35-W38 HydrophobicContact CE-CZ3 3.94Å; M35-W38 HydrophobicContact SD-CE3 3.86Å; M35-W38 HydrophobicContact SD-CZ3 4.29Å; W38-Q40 VanDerWaalsContact C-N 3.28Å; W38-Q40 PolarHBondContact O-N 2.9Å; W38-E41 CarbonylContact O-C 3.27Å; W38-E41 VanDerWaalsContact O-C 3.27Å; W38-P42 PolarHBondContact NE1-O 3.46Å; W38-P42 VanDerWaalsContact NE1-O 3.07Å; W38-P42 WeakPolarHBondContact O-CA 3.38Å; W38-P42 VanDerWaalsContact O-N 3.08Å; W38-V47 HydrophobicContact CB-CG1 3.88Å; W38-L48 HydrophobicContact CG-CD2 4.49Å; W38-L51 HydrophobicContact CB-CD1 4.03Å; W38-L51 HydrophobicContact CG-CD1 4.21Å; W38-F67 HydrophobicContact CD2-CE1 4.17Å; W38-F67 HydrophobicContact CE3-CE1 4.02Å; W38-F67 HydrophobicContact CE3-CZ 4.47Å; W38-F67 AromaticContact CH2-CE1 3.97Å; W38-F67 HydrophobicContact CH2-CE1 3.97Å; W38-F67 HydrophobicContact CZ2-CE1 4.12Å; W38-F67 AromaticContact CZ3-CE1 3.92Å; W38-F67 HydrophobicContact CZ3-CE1 3.92Å; W38-F67 HydrophobicContact CZ3-CZ 4.23Å; W38-L70 HydrophobicContact CZ2-CD1 4.04Å |
| 39 | R | 86.1 | Confident | 86.8 | Confident | 196 Ų | 196 | 55.4 Ų | 55.4 | 74% | 0.74 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -67.3 | -28.9 | 173.2 | -75.4 | 173 | -175.2 | 177.7 | 3.4 | 113.2 | M35 Q36 L37 | M35-R39 VanDerWaalsContact O-CG 3.3Å; M35-R39 WeakPolarHBondContact O-CG 3.31Å; M35-R39 PolarHBondContact O-N 3.45Å; M35-R39 VanDerWaalsContact O-N 3.11Å; Q36-R39 PolarHBondContact O-N 2.74Å; L37-R39 VanDerWaalsContact C-N 3.29Å; L37-R39 PolarHBondContact O-N 3.21Å |
| 40 | Q | 83.4 | Confident | 87.1 | Confident | 118 Ų | 118 | 55.7 Ų | 55.7 | 55% | 0.551 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -84.6 | -38.6 | 178.7 | -67 | 175.5 | -2.5 | 0 | 0 | 111.2 | Q36 L37 W38 | Q36-Q40 WeakPolarHBondContact O-CG 3.3Å; Q36-Q40 PolarHBondContact O-N 3.48Å; L37-Q40 PolarHBondContact O-N 2.94Å; W38-Q40 VanDerWaalsContact C-N 3.28Å; W38-Q40 PolarHBondContact O-N 2.9Å |
| 41 | E | 84.4 | Confident | 87.2 | Confident | 78 Ų | 78 | 55.7 Ų | 55.7 | 36% | 0.364 | 27% | 0.267 | S | S | . | . | trans | -132.5 | 82.4 | 179.8 | -63.6 | 177.8 | -175.1 | 0 | 0 | 110.2 | L37 W38 D43 N44 | L37-E41 PolarHBondContact O-N 3.18Å; W38-E41 CarbonylContact O-C 3.27Å; W38-E41 VanDerWaalsContact O-C 3.27Å; E41-D43 PolarHBondContact O-N 3.49Å; E41-D43 VanDerWaalsContact O-N 3.1Å; E41-N44 HydrophobicContact CB-CB 3.93Å; E41-N44 WeakPolarHBondContact O-CB 3.49Å; E41-N44 PolarHBondContact O-N 3.36Å; E41-N44 VanDerWaalsContact O-N 3.17Å; E41-N44 PolarHBondContact OE2-ND2 3.45Å | ||
| 42 | P | 83 | Confident | 87.3 | Confident | 72 Ų | 72 | 54.4 Ų | 54.4 | 47% | 0.468 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -23.5 | -176.3 | -25.6 | 35.5 | 0 | 0 | 0 | 114.4 | W38 | W38-P42 PolarHBondContact NE1-O 3.46Å; W38-P42 VanDerWaalsContact NE1-O 3.07Å; W38-P42 WeakPolarHBondContact O-CA 3.38Å; W38-P42 VanDerWaalsContact O-N 3.08Å |
| 43 | D | 82.9 | Confident | 87.4 | Confident | 105 Ų | 105 | 47.8 Ų | 47.8 | 56% | 0.561 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95 | 2 | -174.8 | -68.5 | -10.1 | 0 | 0 | 0 | 113 | E41 T45 Q74 | E41-D43 PolarHBondContact O-N 3.49Å; E41-D43 VanDerWaalsContact O-N 3.1Å; D43-T45 PolarHBondContact O-N 3.02Å; D43-T45 VanDerWaalsContact O-N 3.07Å; D43-Q74 HydrophobicContact CB-CG 4.24Å; D43-Q74 VanDerWaalsContact CB-NE2 3.34Å; D43-Q74 VanDerWaalsContact CG-NE2 3.34Å; D43-Q74 WeakPolarHBondContact O-CG 3.48Å |
| 44 | N | 87.4 | Confident | 87.6 | Confident | 52 Ų | 52 | 46 Ų | 46 | 28% | 0.278 | 23% | 0.232 | S | C | . | . | trans | -73.7 | 101.8 | -179 | -170.7 | -40 | 0 | 0 | 0 | 110.9 | E41 G46 V47 L48 | E41-N44 HydrophobicContact CB-CB 3.93Å; E41-N44 WeakPolarHBondContact O-CB 3.49Å; E41-N44 PolarHBondContact O-N 3.36Å; E41-N44 VanDerWaalsContact O-N 3.17Å; E41-N44 PolarHBondContact OE2-ND2 3.45Å; N44-G46 VanDerWaalsContact C-N 3.27Å; N44-G46 PolarHBondContact O-N 2.83Å; N44-G46 PolarHBondContact OD1-N 3.09Å; N44-G46 VanDerWaalsContact OD1-N 3.1Å; N44-V47 HydrophobicContact CB-CB 4.26Å; N44-V47 HydrophobicContact CB-CG2 4.08Å; N44-V47 PolarHBondContact O-N 2.95Å; N44-V47 PolarHBondContact OD1-N 2.79Å; N44-L48 WeakPolarHBondContact O-CG 3.42Å; N44-L48 PolarHBondContact O-N 2.97Å; N44-L48 VanDerWaalsContact O-N 3.11Å | ||
| 45 | T | 85.8 | Confident | 87.8 | Confident | 39 Ų | 39 | 46 Ų | 46 | 24% | 0.239 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.3 | -30 | -176.8 | 53.8 | 0 | 0 | 0 | 0 | 113.4 | D43 L48 L49 Q74 N75 L78 | D43-T45 PolarHBondContact O-N 3.02Å; D43-T45 VanDerWaalsContact O-N 3.07Å; T45-L48 PolarHBondContact O-N 2.91Å; T45-L49 WeakPolarHBondContact O-CG 3.4Å; T45-L49 PolarHBondContact O-N 3.48Å; T45-Q74 HydrophobicContact CG2-CB 4.08Å; T45-Q74 HydrophobicContact CG2-CG 3.95Å; T45-N75 HydrophobicContact CG2-CB 3.95Å; T45-L78 HydrophobicContact CG2-CD2 4.31Å |
| 46 | G | 85.3 | Confident | 87.9 | Confident | 32 Ų | 32 | 46 Ų | 46 | 33% | 0.33 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.4 | -40.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N44 L50 | N44-G46 VanDerWaalsContact C-N 3.27Å; N44-G46 PolarHBondContact O-N 2.83Å; N44-G46 PolarHBondContact OD1-N 3.09Å; N44-G46 VanDerWaalsContact OD1-N 3.1Å; G46-L50 WeakPolarHBondContact O-CB 3.37Å; G46-L50 PolarHBondContact O-N 2.75Å; G46-L50 VanDerWaalsContact O-N 3.1Å |
| 47 | V | 88.1 | Confident | 88 | Confident | 7 Ų | 7 | 46.3 Ų | 46.3 | 4% | 0.042 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.8 | -40.4 | 175.3 | 177.9 | 0 | 0 | 0 | 0 | 111.1 | C34 L37 W38 N44 L50 L51 | C34-V47 HydrophobicContact CB-CG1 4.15Å; C34-V47 WeakPolarHBondContact O-CG1 3.41Å; L37-V47 HydrophobicContact CB-CG1 4.13Å; L37-V47 HydrophobicContact CB-CG2 3.93Å; L37-V47 HydrophobicContact CD1-CG2 4.31Å; W38-V47 HydrophobicContact CB-CG1 3.88Å; N44-V47 HydrophobicContact CB-CB 4.26Å; N44-V47 HydrophobicContact CB-CG2 4.08Å; N44-V47 PolarHBondContact O-N 2.95Å; N44-V47 PolarHBondContact OD1-N 2.79Å; V47-L50 PolarHBondContact O-N 2.84Å; V47-L51 HydrophobicContact CG1-CD1 4Å; V47-L51 HydrophobicContact CG1-CG 4.44Å; V47-L51 WeakPolarHBondContact O-CB 3.46Å; V47-L51 WeakPolarHBondContact O-CG 3.5Å; V47-L51 PolarHBondContact O-N 3.27Å |
| 48 | L | 91.1 | Very high | 88.2 | Confident | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.8 | -41.5 | 176.8 | -68 | 171.6 | 0 | 0 | 0 | 112.6 | W38 N44 T45 S52 F67 L70 A71 | W38-L48 HydrophobicContact CG-CD2 4.49Å; N44-L48 WeakPolarHBondContact O-CG 3.42Å; N44-L48 PolarHBondContact O-N 2.97Å; N44-L48 VanDerWaalsContact O-N 3.11Å; T45-L48 PolarHBondContact O-N 2.91Å; L48-S52 WeakPolarHBondContact O-CB 3.29Å; L48-S52 PolarHBondContact O-N 2.72Å; L48-F67 HydrophobicContact CD2-CD1 3.82Å; L48-L70 HydrophobicContact CD1-CB 4.29Å; L48-L70 HydrophobicContact CD2-CB 4.15Å; L48-L70 HydrophobicContact CD2-CD1 4.4Å; L48-A71 HydrophobicContact CB-CB 3.84Å; L48-A71 HydrophobicContact CD1-CB 4.37Å |
| 49 | L | 90.7 | Very high | 88.2 | Confident | 29 Ų | 29 | 55.2 Ų | 55.2 | 15% | 0.152 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.8 | -46 | 173.6 | -76.1 | 177 | 0 | 0 | 0 | 111.6 | T45 S52 S53 L78 E80 A81 | T45-L49 WeakPolarHBondContact O-CG 3.4Å; T45-L49 PolarHBondContact O-N 3.48Å; L49-S52 WeakPolarHBondContact O-CB 3.49Å; L49-S52 PolarHBondContact O-N 3.18Å; L49-S53 PolarHBondContact O-N 3.28Å; L49-S53 PolarHBondContact O-OG 3.49Å; L49-L78 HydrophobicContact CD1-CD1 4.1Å; L49-L78 HydrophobicContact CD1-CD2 3.83Å; L49-L78 HydrophobicContact CD1-CG 4.12Å; L49-L78 HydrophobicContact CD2-CD2 4.03Å; L49-L78 HydrophobicContact CD2-CG 4.46Å; L49-L78 HydrophobicContact CG-CD2 3.9Å; L49-E80 HydrophobicContact CD1-CB 3.86Å; L49-E80 HydrophobicContact CD2-CB 3.91Å; L49-A81 VanDerWaalsContact CD2-CA 3.49Å; L49-A81 HydrophobicContact CD2-CB 3.65Å |
| 50 | L | 89.6 | Confident | 88.5 | Confident | 11 Ų | 11 | 49.5 Ų | 49.5 | 6% | 0.058 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66 | -41.9 | -179.7 | -175.5 | 57.1 | 0 | 0 | 0 | 111.7 | A18 H19 Y22 C34 G46 V47 S52 S53 I54 | A18-L50 HydrophobicContact CB-CD2 4.22Å; H19-L50 WeakPolarHBondContact ND1-CD2 3.24Å; Y22-L50 HydrophobicContact CD1-CD1 3.84Å; Y22-L50 HydrophobicContact CD2-CD1 4.04Å; Y22-L50 HydrophobicContact CE1-CD1 4.41Å; Y22-L50 HydrophobicContact CG-CD1 3.63Å; C34-L50 WeakPolarHBondContact SG-CD2 3.34Å; G46-L50 WeakPolarHBondContact O-CB 3.37Å; G46-L50 PolarHBondContact O-N 2.75Å; G46-L50 VanDerWaalsContact O-N 3.1Å; V47-L50 PolarHBondContact O-N 2.84Å; L50-S52 VanDerWaalsContact C-N 3.31Å; L50-S52 PolarHBondContact O-N 3.11Å; L50-S53 PolarHBondContact O-N 3.44Å; L50-I54 HydrophobicContact CD1-CD1 4.25Å; L50-I54 HydrophobicContact CD1-CG1 4.33Å; L50-I54 HydrophobicContact CG-CD1 3.83Å; L50-I54 HydrophobicContact CG-CG1 4.41Å; L50-I54 WeakPolarHBondContact O-CB 3.43Å; L50-I54 WeakPolarHBondContact O-CD1 3.21Å; L50-I54 VanDerWaalsContact O-CG1 3.23Å; L50-I54 WeakPolarHBondContact O-CG1 3.32Å; L50-I54 PolarHBondContact O-N 3.26Å |
| 51 | L | 90.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.7 | -42.7 | 171.8 | -77.9 | 168.4 | 0 | 0 | 0 | 112 | C34 M35 W38 V47 S53 I54 H55 F67 | C34-L51 HydrophobicContact CB-CD1 4.37Å; C34-L51 HydrophobicContact CB-CD2 3.47Å; C34-L51 VanDerWaalsContact CB-CD2 3.47Å; C34-L51 HydrophobicContact CB-CG 3.69Å; M35-L51 HydrophobicContact CG-CD2 3.94Å; M35-L51 HydrophobicContact SD-CD1 4.12Å; M35-L51 HydrophobicContact SD-CD2 3.94Å; W38-L51 HydrophobicContact CB-CD1 4.03Å; W38-L51 HydrophobicContact CG-CD1 4.21Å; V47-L51 HydrophobicContact CG1-CD1 4Å; V47-L51 HydrophobicContact CG1-CG 4.44Å; V47-L51 WeakPolarHBondContact O-CB 3.46Å; V47-L51 WeakPolarHBondContact O-CG 3.5Å; V47-L51 PolarHBondContact O-N 3.27Å; L51-S53 PolarHBondContact O-N 2.92Å; L51-I54 PolarHBondContact O-N 3.46Å; L51-H55 WeakPolarHBondContact O-CB 3.28Å; L51-H55 PolarHBondContact O-CD2 3Å; L51-H55 PolarHBondContact O-N 3.24Å; L51-F67 HydrophobicContact CB-CB 4.25Å; L51-F67 HydrophobicContact CB-CD1 4.22Å; L51-F67 HydrophobicContact CB-CD2 4.04Å; L51-F67 HydrophobicContact CB-CE2 4.46Å; L51-F67 HydrophobicContact CB-CG 3.92Å; L51-F67 HydrophobicContact CD1-CD1 4.05Å; L51-F67 HydrophobicContact CD1-CE1 3.87Å; L51-F67 HydrophobicContact CD1-CZ 4.23Å |
| 52 | S | 92.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.1 | -47.1 | 175.1 | -176.8 | 0 | 0 | 0 | 0 | 111.8 | L48 L49 L50 H55 F56 S64 S68 | L48-S52 WeakPolarHBondContact O-CB 3.29Å; L48-S52 PolarHBondContact O-N 2.72Å; L49-S52 WeakPolarHBondContact O-CB 3.49Å; L49-S52 PolarHBondContact O-N 3.18Å; L50-S52 VanDerWaalsContact C-N 3.31Å; L50-S52 PolarHBondContact O-N 3.11Å; S52-H55 PolarHBondContact O-N 3.37Å; S52-F56 WeakPolarHBondContact O-CB 3.12Å; S52-F56 PolarHBondContact O-N 2.96Å; S52-S64 WeakPolarHBondContact O-CB 3.23Å; S52-S64 PolarHBondContact O-OG 2.85Å; S52-S64 PolarHBondContact OG-O 2.97Å; S52-S64 VanDerWaalsContact OG-O 3.05Å; S52-S64 PolarHBondContact OG-OG 3.31Å; S52-S68 PolarHBondContact OG-OG 2.91Å |
| 53 | S | 91.2 | Very high | 89.5 | Confident | 22 Ų | 22 | 50.9 Ų | 50.9 | 15% | 0.154 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.4 | -43 | 179.5 | -60.7 | 0 | 0 | 0 | 0 | 112.3 | L49 L50 L51 H55 F56 Q57 N84 | L49-S53 PolarHBondContact O-N 3.28Å; L49-S53 PolarHBondContact O-OG 3.49Å; L50-S53 PolarHBondContact O-N 3.44Å; L51-S53 PolarHBondContact O-N 2.92Å; S53-H55 PolarHBondContact O-N 2.9Å; S53-F56 WeakPolarHBondContact O-CB 3.41Å; S53-F56 PolarHBondContact O-N 3.37Å; S53-Q57 WeakPolarHBondContact O-CG 3.27Å; S53-Q57 PolarHBondContact O-N 2.86Å; S53-N84 PolarHBondContact OG-ND2 3.34Å; S53-N84 VanDerWaalsContact OG-ND2 3.13Å |
| 54 | I | 91.4 | Very high | 90 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.5 | -50 | 174.9 | -71.1 | 161 | 0 | 0 | 0 | 110.5 | Y22 F27 A30 E31 C34 L50 L51 F56 Q57 C58 | Y22-I54 HydrophobicContact CD2-CB 4.49Å; Y22-I54 HydrophobicContact CD2-CG1 3.48Å; Y22-I54 VanDerWaalsContact CD2-CG1 3.48Å; Y22-I54 HydrophobicContact CE2-CG1 4.07Å; Y22-I54 HydrophobicContact CG-CG1 4.36Å; F27-I54 HydrophobicContact CB-CG2 4.18Å; F27-I54 WeakPolarHBondContact O-CG2 3.33Å; A30-I54 HydrophobicContact CB-CD1 3.73Å; A30-I54 HydrophobicContact CB-CG1 4.26Å; E31-I54 HydrophobicContact CB-CG2 4.01Å; C34-I54 HydrophobicContact CB-CD1 4.44Å; L50-I54 HydrophobicContact CD1-CD1 4.25Å; L50-I54 HydrophobicContact CD1-CG1 4.33Å; L50-I54 HydrophobicContact CG-CD1 3.83Å; L50-I54 HydrophobicContact CG-CG1 4.41Å; L50-I54 WeakPolarHBondContact O-CB 3.43Å; L50-I54 WeakPolarHBondContact O-CD1 3.21Å; L50-I54 VanDerWaalsContact O-CG1 3.23Å; L50-I54 WeakPolarHBondContact O-CG1 3.32Å; L50-I54 PolarHBondContact O-N 3.26Å; L51-I54 PolarHBondContact O-N 3.46Å; I54-F56 VanDerWaalsContact C-N 3.29Å; I54-F56 PolarHBondContact O-N 2.96Å; I54-Q57 PolarHBondContact O-N 3.3Å; I54-C58 PolarHBondContact O-N 2.83Å; I54-C58 PolarHBondContact O-SG 2.96Å; I54-C58 VanDerWaalsContact O-SG 3.37Å |
| 55 | H | 91.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.6 | -32.8 | 179.7 | -78.2 | -57 | 0 | 0 | 0 | 113 | E31 L51 S52 S53 C58 R59 R60 R63 F67 | E31-H55 IonicContact OE1-CE1 2.78Å; E31-H55 PolarHBondContact OE1-CE1 3.23Å; E31-H55 IonicContact OE1-NE2 3.18Å; E31-H55 IonicContact OE2-CE1 3.23Å; L51-H55 WeakPolarHBondContact O-CB 3.28Å; L51-H55 PolarHBondContact O-CD2 3Å; L51-H55 PolarHBondContact O-N 3.24Å; S52-H55 PolarHBondContact O-N 3.37Å; S53-H55 PolarHBondContact O-N 2.9Å; H55-C58 PolarHBondContact O-N 2.89Å; H55-R59 PolarHBondContact O-N 3.26Å; H55-R60 HydrophobicContact CB-CB 4.34Å; H55-R60 PolarHBondContact CE1-NH1 3.23Å; H55-R60 VanDerWaalsContact ND1-CZ 3.33Å; H55-R60 WeakPolarHBondContact O-CA 3.37Å; H55-R60 PolarHBondContact O-N 2.81Å; H55-R63 HydrophobicContact CB-CB 4.14Å; H55-F67 AromaticContact CD2-CD2 3.51Å; H55-F67 AromaticContact CD2-CE2 3.53Å; H55-F67 AromaticContact NE2-CD2 3.95Å; H55-F67 AromaticContact NE2-CE2 3.43Å; H55-F67 WeakPolarHBondContact NE2-CE2 3.45Å |
| 56 | F | 90.9 | Very high | 90.5 | Very high | 43 Ų | 43 | 46.9 Ų | 46.9 | 19% | 0.189 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.7 | -49.6 | 172.9 | -175.9 | -98.2 | 0 | 0 | 0 | 111.2 | S52 S53 I54 C58 R59 L61 N87 V88 E91 | S52-F56 WeakPolarHBondContact O-CB 3.12Å; S52-F56 PolarHBondContact O-N 2.96Å; S53-F56 WeakPolarHBondContact O-CB 3.41Å; S53-F56 PolarHBondContact O-N 3.37Å; I54-F56 VanDerWaalsContact C-N 3.29Å; I54-F56 PolarHBondContact O-N 2.96Å; F56-C58 VanDerWaalsContact C-N 3.27Å; F56-C58 PolarHBondContact O-N 3.3Å; F56-R59 WeakPolarHBondContact O-CA 3.33Å; F56-R59 PolarHBondContact O-N 3.02Å; F56-L61 HydrophobicContact CD2-CD2 3.92Å; F56-L61 HydrophobicContact CE2-CD2 4.08Å; F56-N87 HydrophobicContact CD2-CB 4.31Å; F56-N87 HydrophobicContact CE1-CB 4.45Å; F56-N87 HydrophobicContact CE2-CB 3.73Å; F56-N87 HydrophobicContact CZ-CB 3.82Å; F56-V88 HydrophobicContact CD2-CG2 3.88Å; F56-V88 HydrophobicContact CE2-CG2 4.42Å; F56-E91 HydrophobicContact CE2-CB 4.44Å; F56-E91 HydrophobicContact CE2-CG 3.68Å; F56-E91 HydrophobicContact CZ-CG 3.62Å |
| 57 | Q | 89.9 | Confident | 90.8 | Very high | 97 Ų | 97 | 45.9 Ų | 45.9 | 45% | 0.453 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.7 | -35.8 | 178.3 | -66.3 | -58.8 | -24.5 | 0 | 0 | 112.5 | Y22 F27 S53 I54 R59 | Y22-Q57 HydrophobicContact CE2-CG 3.99Å; F27-Q57 HydrophobicContact CD1-CB 4.22Å; F27-Q57 HydrophobicContact CD2-CB 4.33Å; F27-Q57 HydrophobicContact CE1-CB 3.84Å; F27-Q57 HydrophobicContact CE1-CG 3.93Å; F27-Q57 HydrophobicContact CE2-CB 3.94Å; F27-Q57 HydrophobicContact CG-CB 4.46Å; F27-Q57 HydrophobicContact CZ-CB 3.68Å; F27-Q57 HydrophobicContact CZ-CG 3.91Å; S53-Q57 WeakPolarHBondContact O-CG 3.27Å; S53-Q57 PolarHBondContact O-N 2.86Å; I54-Q57 PolarHBondContact O-N 3.3Å; Q57-R59 PolarHBondContact O-N 3.27Å |
| 58 | C | 88.9 | Confident | 91 | Very high | 43 Ų | 43 | 45.5 Ų | 45.5 | 29% | 0.291 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 9.7 | 173.9 | -60.6 | 0 | 0 | 0 | 0 | 114.7 | F27 I54 H55 F56 R60 | F27-C58 VanDerWaalsContact CB-SG 3.55Å; I54-C58 PolarHBondContact O-N 2.83Å; I54-C58 PolarHBondContact O-SG 2.96Å; I54-C58 VanDerWaalsContact O-SG 3.37Å; H55-C58 PolarHBondContact O-N 2.89Å; F56-C58 VanDerWaalsContact C-N 3.27Å; F56-C58 PolarHBondContact O-N 3.3Å; C58-R60 HydrophobicContact CB-CG 4.39Å; C58-R60 VanDerWaalsContact CB-NE 3.32Å; C58-R60 PolarHBondContact O-N 3.28Å; C58-R60 VanDerWaalsContact O-N 3.13Å; C58-R60 PolarHBondContact SG-NH2 3.36Å |
| 59 | R | 87.5 | Confident | 91 | Very high | 211 Ų | 211 | 49 Ų | 49 | 80% | 0.796 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 23.9 | -174.4 | -60.3 | -165.6 | 176.5 | -134.8 | -0.3 | 115.1 | H55 F56 Q57 L61 | H55-R59 PolarHBondContact O-N 3.26Å; F56-R59 WeakPolarHBondContact O-CA 3.33Å; F56-R59 PolarHBondContact O-N 3.02Å; Q57-R59 PolarHBondContact O-N 3.27Å; R59-L61 VanDerWaalsContact C-N 3.34Å; R59-L61 PolarHBondContact O-N 3.45Å |
| 60 | R | 92.1 | Very high | 91.1 | Very high | 77 Ų | 77 | 50 Ų | 50 | 29% | 0.291 | 24% | 0.235 | S | C | . | . | trans | -92.5 | 66.3 | 175.5 | -69.8 | 177.3 | -75.8 | 166.6 | 0.3 | 109.8 | E31 H55 C58 D62 R63 S64 | E31-R60 VanDerWaalsContact CD-NH1 3.3Å; E31-R60 IonicContact OE1-CZ 3.79Å; E31-R60 IonicContact OE1-NH1 3.65Å; E31-R60 PolarHBondContact OE1-NH1 3.25Å; E31-R60 IonicContact OE2-CZ 2.81Å; E31-R60 IonicContact OE2-NH1 3.61Å; E31-R60 PolarHBondContact OE2-NH1 3.28Å; E31-R60 IonicContact OE2-NH2 2.86Å; E31-R60 PolarHBondContact OE2-NH2 3.5Å; H55-R60 HydrophobicContact CB-CB 4.34Å; H55-R60 PolarHBondContact CE1-NH1 3.23Å; H55-R60 VanDerWaalsContact ND1-CZ 3.33Å; H55-R60 WeakPolarHBondContact O-CA 3.37Å; H55-R60 PolarHBondContact O-N 2.81Å; C58-R60 HydrophobicContact CB-CG 4.39Å; C58-R60 VanDerWaalsContact CB-NE 3.32Å; C58-R60 PolarHBondContact O-N 3.28Å; C58-R60 VanDerWaalsContact O-N 3.13Å; C58-R60 PolarHBondContact SG-NH2 3.36Å; R60-D62 VanDerWaalsContact C-N 3.34Å; R60-D62 PolarHBondContact O-N 3.46Å; R60-R63 PolarHBondContact O-N 3.41Å; R60-S64 PolarHBondContact O-N 3.34Å | ||
| 61 | L | 91.3 | Very high | 91 | Very high | 41 Ų | 41 | 49.5 Ų | 49.5 | 22% | 0.215 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.1 | -38 | -168.9 | -61.9 | -177.2 | 0 | 0 | 0 | 114 | F56 R59 R63 S64 A65 V88 E91 R92 | F56-L61 HydrophobicContact CD2-CD2 3.92Å; F56-L61 HydrophobicContact CE2-CD2 4.08Å; R59-L61 VanDerWaalsContact C-N 3.34Å; R59-L61 PolarHBondContact O-N 3.45Å; L61-R63 PolarHBondContact O-N 2.76Å; L61-S64 WeakPolarHBondContact O-CB 3.37Å; L61-S64 PolarHBondContact O-N 3.07Å; L61-A65 WeakPolarHBondContact O-CB 3.47Å; L61-A65 PolarHBondContact O-N 3.18Å; L61-V88 HydrophobicContact CB-CG1 4.03Å; L61-V88 HydrophobicContact CD2-CG1 4.46Å; L61-E91 HydrophobicContact CD1-CB 4.19Å; L61-E91 HydrophobicContact CD2-CB 4.39Å; L61-R92 HydrophobicContact CD1-CG 3.98Å |
| 62 | D | 90.6 | Very high | 91.1 | Very high | 120 Ų | 120 | 50.8 Ų | 50.8 | 64% | 0.642 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -65.7 | -40.8 | 180 | -59.4 | -31.3 | 0 | 0 | 0 | 112.6 | R60 H66 R92 | R60-D62 VanDerWaalsContact C-N 3.34Å; R60-D62 PolarHBondContact O-N 3.46Å; D62-H66 WeakPolarHBondContact O-CB 3.47Å; D62-H66 PolarHBondContact O-N 2.65Å; D62-R92 IonicContact OD1-CZ 2.68Å; D62-R92 IonicContact OD1-NH2 3.57Å; D62-R92 PolarHBondContact OD1-NH2 3.17Å |
| 63 | R | 91.1 | Very high | 91 | Very high | 135 Ų | 135 | 58.9 Ų | 58.9 | 51% | 0.509 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -69.9 | -39.1 | 175.6 | -70.5 | -167.5 | 179.8 | -173.7 | 1.9 | 111.1 | E31 H55 R60 L61 H66 F67 | E31-R63 IonicContact OE1-NH1 3.22Å; H55-R63 HydrophobicContact CB-CB 4.14Å; R60-R63 PolarHBondContact O-N 3.41Å; L61-R63 PolarHBondContact O-N 2.76Å; R63-H66 WeakPolarHBondContact O-CB 3.44Å; R63-H66 PolarHBondContact O-N 3.46Å; R63-F67 WeakPolarHBondContact O-CD2 3.47Å; R63-F67 PolarHBondContact O-N 2.95Å |
| 64 | S | 92.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.7 | -50.5 | 175 | -174.7 | 0 | 0 | 0 | 0 | 111.4 | S52 R60 L61 H66 F67 S68 V88 | S52-S64 WeakPolarHBondContact O-CB 3.23Å; S52-S64 PolarHBondContact O-OG 2.85Å; S52-S64 PolarHBondContact OG-O 2.97Å; S52-S64 VanDerWaalsContact OG-O 3.05Å; S52-S64 PolarHBondContact OG-OG 3.31Å; R60-S64 PolarHBondContact O-N 3.34Å; L61-S64 WeakPolarHBondContact O-CB 3.37Å; L61-S64 PolarHBondContact O-N 3.07Å; S64-H66 VanDerWaalsContact C-N 3.31Å; S64-H66 PolarHBondContact O-N 2.72Å; S64-F67 PolarHBondContact O-N 3.22Å; S64-S68 PolarHBondContact O-N 3.36Å; S64-V88 WeakPolarHBondContact OG-CG2 3.42Å |
| 65 | A | 91.7 | Very high | 90.8 | Very high | 12 Ų | 12 | 65 Ų | 65 | 10% | 0.099 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.3 | -39.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L61 S68 T69 L85 V88 | L61-A65 WeakPolarHBondContact O-CB 3.47Å; L61-A65 PolarHBondContact O-N 3.18Å; A65-S68 PolarHBondContact O-N 3.04Å; A65-T69 WeakPolarHBondContact O-CB 3.45Å; A65-T69 PolarHBondContact O-N 3.49Å; A65-T69 PolarHBondContact O-OG1 3.09Å; A65-L85 HydrophobicContact CB-CD1 3.86Å; A65-V88 HydrophobicContact CB-CG1 4.09Å |
| 66 | H | 92.5 | Very high | 90.6 | Very high | 101 Ų | 101 | 68.5 Ų | 68.5 | 47% | 0.468 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.9 | -51.9 | 176.5 | -179.2 | 70.4 | 0 | 0 | 0 | 112 | D62 R63 S64 T69 L70 | D62-H66 WeakPolarHBondContact O-CB 3.47Å; D62-H66 PolarHBondContact O-N 2.65Å; R63-H66 WeakPolarHBondContact O-CB 3.44Å; R63-H66 PolarHBondContact O-N 3.46Å; S64-H66 VanDerWaalsContact C-N 3.31Å; S64-H66 PolarHBondContact O-N 2.72Å; H66-T69 PolarHBondContact O-N 3.27Å; H66-L70 WeakPolarHBondContact NE2-CD1 3.4Å; H66-L70 WeakPolarHBondContact O-CG 3.36Å; H66-L70 PolarHBondContact O-N 2.87Å |
| 67 | F | 92.3 | Very high | 90.5 | Very high | 10 Ų | 10 | 72.9 Ų | 72.9 | 4% | 0.044 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -69.4 | -34.4 | -179.7 | -71.7 | -66.9 | 0 | 0 | 0 | 112.9 | M35 W38 L48 L51 H55 R63 S64 T69 L70 A71 | M35-F67 HydrophobicContact SD-CZ 3.91Å; W38-F67 HydrophobicContact CD2-CE1 4.17Å; W38-F67 HydrophobicContact CE3-CE1 4.02Å; W38-F67 HydrophobicContact CE3-CZ 4.47Å; W38-F67 AromaticContact CH2-CE1 3.97Å; W38-F67 HydrophobicContact CH2-CE1 3.97Å; W38-F67 HydrophobicContact CZ2-CE1 4.12Å; W38-F67 AromaticContact CZ3-CE1 3.92Å; W38-F67 HydrophobicContact CZ3-CE1 3.92Å; W38-F67 HydrophobicContact CZ3-CZ 4.23Å; L48-F67 HydrophobicContact CD2-CD1 3.82Å; L51-F67 HydrophobicContact CB-CB 4.25Å; L51-F67 HydrophobicContact CB-CD1 4.22Å; L51-F67 HydrophobicContact CB-CD2 4.04Å; L51-F67 HydrophobicContact CB-CE2 4.46Å; L51-F67 HydrophobicContact CB-CG 3.92Å; L51-F67 HydrophobicContact CD1-CD1 4.05Å; L51-F67 HydrophobicContact CD1-CE1 3.87Å; L51-F67 HydrophobicContact CD1-CZ 4.23Å; H55-F67 AromaticContact CD2-CD2 3.51Å; H55-F67 AromaticContact CD2-CE2 3.53Å; H55-F67 AromaticContact NE2-CD2 3.95Å; H55-F67 AromaticContact NE2-CE2 3.43Å; H55-F67 WeakPolarHBondContact NE2-CE2 3.45Å; R63-F67 WeakPolarHBondContact O-CD2 3.47Å; R63-F67 PolarHBondContact O-N 2.95Å; S64-F67 PolarHBondContact O-N 3.22Å; F67-T69 VanDerWaalsContact C-N 3.34Å; F67-T69 PolarHBondContact O-N 3.48Å; F67-L70 HydrophobicContact CD1-CD1 4.13Å; F67-L70 HydrophobicContact CE1-CD1 4.48Å; F67-L70 PolarHBondContact O-N 3Å; F67-A71 WeakPolarHBondContact O-CB 3.37Å; F67-A71 PolarHBondContact O-N 3.29Å |
| 68 | S | 91.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 169.5 | -81 | 0 | 0 | 0 | 0 | 112.2 | S52 S64 A65 A71 I72 N84 | S52-S68 PolarHBondContact OG-OG 2.91Å; S64-S68 PolarHBondContact O-N 3.36Å; A65-S68 PolarHBondContact O-N 3.04Å; S68-A71 WeakPolarHBondContact O-CB 3.41Å; S68-A71 PolarHBondContact O-N 3.26Å; S68-I72 VanDerWaalsContact O-CG1 3.3Å; S68-I72 WeakPolarHBondContact O-CG1 3.47Å; S68-I72 PolarHBondContact O-N 2.87Å; S68-N84 WeakPolarHBondContact OG-CB 3.26Å |
| 69 | T | 92.1 | Very high | 90.6 | Very high | 76 Ų | 76 | 67.3 Ų | 67.3 | 47% | 0.466 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.9 | -38.8 | 178.8 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | A65 H66 F67 I72 K73 | A65-T69 WeakPolarHBondContact O-CB 3.45Å; A65-T69 PolarHBondContact O-N 3.49Å; A65-T69 PolarHBondContact O-OG1 3.09Å; H66-T69 PolarHBondContact O-N 3.27Å; F67-T69 VanDerWaalsContact C-N 3.34Å; F67-T69 PolarHBondContact O-N 3.48Å; T69-I72 PolarHBondContact O-N 2.81Å; T69-K73 WeakPolarHBondContact O-CB 3.1Å; T69-K73 PolarHBondContact O-N 3.41Å |
| 70 | L | 91.2 | Very high | 90.7 | Very high | 51 Ų | 51 | 60 Ų | 60 | 27% | 0.267 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63 | -43 | 172.4 | -72.1 | 176.6 | 0 | 0 | 0 | 111.4 | W38 L48 H66 F67 I72 K73 Q74 | W38-L70 HydrophobicContact CZ2-CD1 4.04Å; L48-L70 HydrophobicContact CD1-CB 4.29Å; L48-L70 HydrophobicContact CD2-CB 4.15Å; L48-L70 HydrophobicContact CD2-CD1 4.4Å; H66-L70 WeakPolarHBondContact NE2-CD1 3.4Å; H66-L70 WeakPolarHBondContact O-CG 3.36Å; H66-L70 PolarHBondContact O-N 2.87Å; F67-L70 HydrophobicContact CD1-CD1 4.13Å; F67-L70 HydrophobicContact CE1-CD1 4.48Å; F67-L70 PolarHBondContact O-N 3Å; L70-I72 VanDerWaalsContact C-N 3.35Å; L70-I72 PolarHBondContact O-N 3.18Å; L70-K73 PolarHBondContact O-N 3.23Å; L70-Q74 PolarHBondContact O-N 3.48Å |
| 71 | A | 89.3 | Confident | 90.6 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L48 F67 S68 Q74 N75 L78 A81 | L48-A71 HydrophobicContact CB-CB 3.84Å; L48-A71 HydrophobicContact CD1-CB 4.37Å; F67-A71 WeakPolarHBondContact O-CB 3.37Å; F67-A71 PolarHBondContact O-N 3.29Å; S68-A71 WeakPolarHBondContact O-CB 3.41Å; S68-A71 PolarHBondContact O-N 3.26Å; A71-Q74 PolarHBondContact O-N 3.26Å; A71-N75 PolarHBondContact O-N 2.95Å; A71-L78 HydrophobicContact CB-CD2 4.12Å; A71-A81 HydrophobicContact CB-CB 3.86Å |
| 72 | I | 91.4 | Very high | 90.7 | Very high | 26 Ų | 26 | 55.7 Ų | 55.7 | 13% | 0.133 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 175.3 | -68.3 | 164.2 | 0 | 0 | 0 | 111.3 | S68 T69 L70 Q74 N75 P76 A81 Y82 L85 | S68-I72 VanDerWaalsContact O-CG1 3.3Å; S68-I72 WeakPolarHBondContact O-CG1 3.47Å; S68-I72 PolarHBondContact O-N 2.87Å; T69-I72 PolarHBondContact O-N 2.81Å; L70-I72 VanDerWaalsContact C-N 3.35Å; L70-I72 PolarHBondContact O-N 3.18Å; I72-Q74 VanDerWaalsContact C-N 3.27Å; I72-Q74 PolarHBondContact O-N 2.95Å; I72-N75 CarbonylContact O-C 3.58Å; I72-N75 PolarHBondContact O-N 3.24Å; I72-P76 WeakPolarHBondContact O-CA 3.46Å; I72-P76 VanDerWaalsContact O-N 3.09Å; I72-A81 HydrophobicContact CD1-CB 4.38Å; I72-A81 HydrophobicContact CG1-CB 3.66Å; I72-Y82 HydrophobicContact CD1-CD1 3.77Å; I72-Y82 HydrophobicContact CD1-CD2 4.44Å; I72-Y82 HydrophobicContact CD1-CE1 3.83Å; I72-Y82 HydrophobicContact CD1-CE2 4.47Å; I72-Y82 HydrophobicContact CD1-CG 4.11Å; I72-Y82 HydrophobicContact CG1-CD1 4.38Å; I72-Y82 HydrophobicContact CG1-CD2 4.24Å; I72-Y82 HydrophobicContact CG1-CE1 4.22Å; I72-Y82 HydrophobicContact CG1-CE2 4.05Å; I72-Y82 HydrophobicContact CG1-CG 4.4Å; I72-Y82 HydrophobicContact CG2-CE1 4.06Å; I72-Y82 HydrophobicContact CG2-CE2 4.19Å; I72-Y82 WeakPolarHBondContact CG2-OH 3.46Å; I72-L85 HydrophobicContact CD1-CD2 3.89Å |
| 73 | K | 90.5 | Very high | 90.8 | Very high | 171 Ų | 171 | 50.1 Ų | 50.1 | 74% | 0.743 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -62.7 | -37.6 | 179.2 | -171.9 | 179.9 | 178.8 | -175.3 | 0 | 111.5 | T69 L70 | T69-K73 WeakPolarHBondContact O-CB 3.1Å; T69-K73 PolarHBondContact O-N 3.41Å; L70-K73 PolarHBondContact O-N 3.23Å |
| 74 | Q | 89.7 | Confident | 90.8 | Very high | 90 Ų | 90 | 45 Ų | 45 | 42% | 0.421 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -76.9 | -39.2 | 179.2 | -168.5 | 61.4 | 16.2 | 0 | 0 | 112.6 | D43 T45 L70 A71 I72 | D43-Q74 HydrophobicContact CB-CG 4.24Å; D43-Q74 VanDerWaalsContact CB-NE2 3.34Å; D43-Q74 VanDerWaalsContact CG-NE2 3.34Å; D43-Q74 WeakPolarHBondContact O-CG 3.48Å; T45-Q74 HydrophobicContact CG2-CB 4.08Å; T45-Q74 HydrophobicContact CG2-CG 3.95Å; L70-Q74 PolarHBondContact O-N 3.48Å; A71-Q74 PolarHBondContact O-N 3.26Å; I72-Q74 VanDerWaalsContact C-N 3.27Å; I72-Q74 PolarHBondContact O-N 2.95Å |
| 75 | N | 88.1 | Confident | 90.8 | Very high | 59 Ų | 59 | 45.3 Ų | 45.3 | 32% | 0.316 | 23% | 0.229 | S | C | . | . | trans | -138.4 | 98.2 | 174.5 | -177.3 | -0.2 | 0 | 0 | 0 | 111 | T45 A71 I72 M77 L78 | T45-N75 HydrophobicContact CG2-CB 3.95Å; A71-N75 PolarHBondContact O-N 2.95Å; I72-N75 CarbonylContact O-C 3.58Å; I72-N75 PolarHBondContact O-N 3.24Å; N75-M77 PolarHBondContact O-N 3.01Å; N75-M77 VanDerWaalsContact O-N 3.1Å; N75-M77 PolarHBondContact OD1-N 2.86Å; N75-L78 HydrophobicContact CB-CB 4.25Å; N75-L78 VanDerWaalsContact O-CB 3.28Å; N75-L78 WeakPolarHBondContact O-CB 3.21Å; N75-L78 PolarHBondContact O-N 3.13Å | ||
| 76 | P | 88.6 | Confident | 90.9 | Very high | 75 Ų | 75 | 44.8 Ų | 44.8 | 49% | 0.487 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -12.8 | 179.9 | -25.1 | 35.2 | 0 | 0 | 0 | 115.1 | I72 Y82 | I72-P76 WeakPolarHBondContact O-CA 3.46Å; I72-P76 VanDerWaalsContact O-N 3.09Å; P76-Y82 WeakPolarHBondContact O-CE2 3.18Å; P76-Y82 PolarHBondContact O-OH 2.92Å |
| 77 | M | 88.6 | Confident | 90.8 | Very high | 135 Ų | 135 | 41 Ų | 41 | 67% | 0.665 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 5.2 | 179.7 | -61.1 | -65.3 | -74.9 | 0 | 0 | 113.1 | N75 A79 L108 | N75-M77 PolarHBondContact O-N 3.01Å; N75-M77 VanDerWaalsContact O-N 3.1Å; N75-M77 PolarHBondContact OD1-N 2.86Å; M77-A79 PolarHBondContact O-N 2.76Å; M77-L108 HydrophobicContact CE-CD2 4.03Å; M77-L108 HydrophobicContact SD-CD2 3.7Å |
| 78 | L | 89.9 | Confident | 90.8 | Very high | 21 Ų | 21 | 40.6 Ų | 40.6 | 11% | 0.11 | 21% | 0.206 | C | C | . | . | trans | -84.3 | 93.9 | -174.5 | -167.4 | 64.3 | 0 | 0 | 0 | 112.1 | T45 L49 A71 N75 E80 A81 Y82 | T45-L78 HydrophobicContact CG2-CD2 4.31Å; L49-L78 HydrophobicContact CD1-CD1 4.1Å; L49-L78 HydrophobicContact CD1-CD2 3.83Å; L49-L78 HydrophobicContact CD1-CG 4.12Å; L49-L78 HydrophobicContact CD2-CD2 4.03Å; L49-L78 HydrophobicContact CD2-CG 4.46Å; L49-L78 HydrophobicContact CG-CD2 3.9Å; A71-L78 HydrophobicContact CB-CD2 4.12Å; N75-L78 HydrophobicContact CB-CB 4.25Å; N75-L78 VanDerWaalsContact O-CB 3.28Å; N75-L78 WeakPolarHBondContact O-CB 3.21Å; N75-L78 PolarHBondContact O-N 3.13Å; L78-E80 VanDerWaalsContact C-N 3.3Å; L78-E80 PolarHBondContact O-N 2.91Å; L78-A81 HydrophobicContact CB-CB 4.37Å; L78-A81 HydrophobicContact CD2-CB 4.03Å; L78-A81 HydrophobicContact CG-CB 4.18Å; L78-A81 PolarHBondContact O-N 2.92Å; L78-Y82 WeakPolarHBondContact O-CD2 3.32Å | ||
| 79 | A | 90 | Very high | 90.9 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 2% | 0.017 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58 | -38.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | M77 A81 Y82 S83 A105 L108 K109 | M77-A79 PolarHBondContact O-N 2.76Å; A79-A81 PolarHBondContact O-N 2.71Å; A79-Y82 PolarHBondContact O-N 2.76Å; A79-S83 PolarHBondContact O-N 3.24Å; A79-A105 HydrophobicContact CB-CB 4.33Å; A79-A105 WeakPolarHBondContact CB-O 3.46Å; A79-A105 WeakPolarHBondContact O-CB 3.29Å; A79-L108 HydrophobicContact CB-CB 4.16Å; A79-K109 HydrophobicContact CB-CB 3.53Å; A79-K109 HydrophobicContact CB-CD 4.22Å |
| 80 | E | 91.1 | Very high | 90.9 | Very high | 57 Ų | 57 | 42.3 Ų | 42.3 | 27% | 0.266 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.2 | -32.6 | -179.3 | -64.8 | 80 | -177.1 | 0 | 0 | 112.1 | L49 L78 S83 N84 K109 F112 | L49-E80 HydrophobicContact CD1-CB 3.86Å; L49-E80 HydrophobicContact CD2-CB 3.91Å; L78-E80 VanDerWaalsContact C-N 3.3Å; L78-E80 PolarHBondContact O-N 2.91Å; E80-S83 PolarHBondContact O-N 3.21Å; E80-N84 WeakPolarHBondContact O-CB 3.46Å; E80-N84 PolarHBondContact O-N 2.83Å; E80-K109 IonicContact OE1-NZ 2.75Å; E80-K109 PolarHBondContact OE1-NZ 3.38Å; E80-F112 HydrophobicContact CG-CE2 4.49Å |
| 81 | A | 90.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -72.9 | -38.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | L49 A71 I72 L78 A79 S83 L85 | L49-A81 VanDerWaalsContact CD2-CA 3.49Å; L49-A81 HydrophobicContact CD2-CB 3.65Å; A71-A81 HydrophobicContact CB-CB 3.86Å; I72-A81 HydrophobicContact CD1-CB 4.38Å; I72-A81 HydrophobicContact CG1-CB 3.66Å; L78-A81 HydrophobicContact CB-CB 4.37Å; L78-A81 HydrophobicContact CD2-CB 4.03Å; L78-A81 HydrophobicContact CG-CB 4.18Å; L78-A81 PolarHBondContact O-N 2.92Å; A79-A81 PolarHBondContact O-N 2.71Å; A81-S83 VanDerWaalsContact C-N 3.34Å; A81-L85 WeakPolarHBondContact O-CB 3.28Å; A81-L85 PolarHBondContact O-N 3.42Å |
| 82 | Y | 92.8 | Very high | 90.9 | Very high | 28 Ų | 28 | 49 Ų | 49 | 11% | 0.11 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.7 | -36.7 | 172.7 | -69.9 | -82.1 | 0 | 0 | 0 | 111.8 | I72 P76 L78 A79 L85 G86 H101 H104 L108 | I72-Y82 HydrophobicContact CD1-CD1 3.77Å; I72-Y82 HydrophobicContact CD1-CD2 4.44Å; I72-Y82 HydrophobicContact CD1-CE1 3.83Å; I72-Y82 HydrophobicContact CD1-CE2 4.47Å; I72-Y82 HydrophobicContact CD1-CG 4.11Å; I72-Y82 HydrophobicContact CG1-CD1 4.38Å; I72-Y82 HydrophobicContact CG1-CD2 4.24Å; I72-Y82 HydrophobicContact CG1-CE1 4.22Å; I72-Y82 HydrophobicContact CG1-CE2 4.05Å; I72-Y82 HydrophobicContact CG1-CG 4.4Å; I72-Y82 HydrophobicContact CG2-CE1 4.06Å; I72-Y82 HydrophobicContact CG2-CE2 4.19Å; I72-Y82 WeakPolarHBondContact CG2-OH 3.46Å; P76-Y82 WeakPolarHBondContact O-CE2 3.18Å; P76-Y82 PolarHBondContact O-OH 2.92Å; L78-Y82 WeakPolarHBondContact O-CD2 3.32Å; A79-Y82 PolarHBondContact O-N 2.76Å; Y82-L85 PolarHBondContact O-N 2.78Å; Y82-G86 PolarHBondContact O-N 2.88Å; Y82-H101 AromaticContact CD1-ND1 3.93Å; Y82-H104 HydrophobicContact CD1-CB 4.42Å; Y82-H104 AromaticContact CE1-ND1 3.98Å; Y82-H104 AromaticContact CZ-CE1 3.86Å; Y82-H104 AromaticContact CZ-ND1 3.92Å; Y82-L108 HydrophobicContact CD2-CD1 3.61Å; Y82-L108 HydrophobicContact CE2-CD1 3.46Å; Y82-L108 VanDerWaalsContact CE2-CD1 3.46Å |
| 83 | S | 92.5 | Very high | 90.6 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.9 | -46.4 | 174.8 | -166.3 | 0 | 0 | 0 | 0 | 112.6 | A79 E80 A81 L85 G86 N87 Y102 F112 | A79-S83 PolarHBondContact O-N 3.24Å; E80-S83 PolarHBondContact O-N 3.21Å; A81-S83 VanDerWaalsContact C-N 3.34Å; S83-L85 VanDerWaalsContact C-N 3.3Å; S83-L85 PolarHBondContact O-N 3Å; S83-G86 WeakPolarHBondContact O-CA 3.36Å; S83-G86 PolarHBondContact O-N 2.79Å; S83-G86 VanDerWaalsContact O-N 3.14Å; S83-N87 PolarHBondContact O-N 2.89Å; S83-Y102 WeakPolarHBondContact O-CE1 3.22Å; S83-F112 WeakPolarHBondContact OG-CE1 3.48Å |
| 84 | N | 91.8 | Very high | 90.7 | Very high | 27 Ų | 27 | 45.5 Ų | 45.5 | 14% | 0.144 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.6 | -40.5 | 175.3 | -80.9 | -5.5 | 0 | 0 | 0 | 111.9 | S53 S68 E80 N87 V88 | S53-N84 PolarHBondContact OG-ND2 3.34Å; S53-N84 VanDerWaalsContact OG-ND2 3.13Å; S68-N84 WeakPolarHBondContact OG-CB 3.26Å; E80-N84 WeakPolarHBondContact O-CB 3.46Å; E80-N84 PolarHBondContact O-N 2.83Å; N84-N87 WeakPolarHBondContact O-CB 3.32Å; N84-N87 PolarHBondContact O-N 2.85Å; N84-V88 PolarHBondContact O-N 2.88Å |
| 85 | L | 91.8 | Very high | 90.8 | Very high | 8 Ų | 8 | 43.1 Ų | 43.1 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.8 | -40.2 | 174.4 | -170.1 | 60.6 | 0 | 0 | 0 | 112 | A65 I72 A81 Y82 S83 N87 V88 Y89 | A65-L85 HydrophobicContact CB-CD1 3.86Å; I72-L85 HydrophobicContact CD1-CD2 3.89Å; A81-L85 WeakPolarHBondContact O-CB 3.28Å; A81-L85 PolarHBondContact O-N 3.42Å; Y82-L85 PolarHBondContact O-N 2.78Å; S83-L85 VanDerWaalsContact C-N 3.3Å; S83-L85 PolarHBondContact O-N 3Å; L85-N87 VanDerWaalsContact C-N 3.33Å; L85-N87 PolarHBondContact O-N 3.39Å; L85-V88 WeakPolarHBondContact O-CB 3.3Å; L85-V88 PolarHBondContact O-N 3.4Å; L85-Y89 HydrophobicContact CD1-CD2 4.36Å; L85-Y89 HydrophobicContact CD1-CE2 3.88Å; L85-Y89 HydrophobicContact CD2-CE2 4.16Å; L85-Y89 HydrophobicContact CG-CD2 4.02Å; L85-Y89 HydrophobicContact CG-CE2 3.67Å; L85-Y89 VanDerWaalsContact O-CD2 3.23Å; L85-Y89 WeakPolarHBondContact O-CD2 3.42Å; L85-Y89 PolarHBondContact O-N 2.92Å; L85-Y89 VanDerWaalsContact O-N 3.09Å |
| 86 | G | 92.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.5 | -42 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y82 S83 V88 Y89 K90 A98 Y102 | Y82-G86 PolarHBondContact O-N 2.88Å; S83-G86 WeakPolarHBondContact O-CA 3.36Å; S83-G86 PolarHBondContact O-N 2.79Å; S83-G86 VanDerWaalsContact O-N 3.14Å; G86-V88 VanDerWaalsContact C-N 3.31Å; G86-V88 PolarHBondContact O-N 2.96Å; G86-Y89 PolarHBondContact O-N 2.58Å; G86-K90 PolarHBondContact O-N 3.14Å; G86-A98 WeakPolarHBondContact O-CB 3.35Å; G86-Y102 VanDerWaalsContact C-CZ 3.42Å; G86-Y102 VanDerWaalsContact C-OH 3.25Å; G86-Y102 PolarHBondContact O-OH 2.85Å |
| 87 | N | 92 | Very high | 91.1 | Very high | 23 Ų | 23 | 45.8 Ų | 45.8 | 12% | 0.123 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59 | -42.5 | 174.8 | -68.6 | -22.3 | 0 | 0 | 0 | 111.6 | F56 S83 N84 L85 K90 E91 Y102 | F56-N87 HydrophobicContact CD2-CB 4.31Å; F56-N87 HydrophobicContact CE1-CB 4.45Å; F56-N87 HydrophobicContact CE2-CB 3.73Å; F56-N87 HydrophobicContact CZ-CB 3.82Å; S83-N87 PolarHBondContact O-N 2.89Å; N84-N87 WeakPolarHBondContact O-CB 3.32Å; N84-N87 PolarHBondContact O-N 2.85Å; L85-N87 VanDerWaalsContact C-N 3.33Å; L85-N87 PolarHBondContact O-N 3.39Å; N87-K90 PolarHBondContact O-N 3.47Å; N87-E91 PolarHBondContact O-N 3.04Å; N87-E91 VanDerWaalsContact O-N 3.11Å; N87-Y102 WeakPolarHBondContact CA-OH 3.38Å; N87-Y102 PolarHBondContact N-OH 3.07Å; N87-Y102 VanDerWaalsContact N-OH 3.12Å; N87-Y102 WeakPolarHBondContact OD1-CE1 3.47Å; N87-Y102 PolarHBondContact OD1-OH 3.13Å |
| 88 | V | 92.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.8 | -44.9 | 176.9 | 174.7 | 0 | 0 | 0 | 0 | 111.6 | F56 L61 S64 A65 N84 L85 G86 E91 R92 | F56-V88 HydrophobicContact CD2-CG2 3.88Å; F56-V88 HydrophobicContact CE2-CG2 4.42Å; L61-V88 HydrophobicContact CB-CG1 4.03Å; L61-V88 HydrophobicContact CD2-CG1 4.46Å; S64-V88 WeakPolarHBondContact OG-CG2 3.42Å; A65-V88 HydrophobicContact CB-CG1 4.09Å; N84-V88 PolarHBondContact O-N 2.88Å; L85-V88 WeakPolarHBondContact O-CB 3.3Å; L85-V88 PolarHBondContact O-N 3.4Å; G86-V88 VanDerWaalsContact C-N 3.31Å; G86-V88 PolarHBondContact O-N 2.96Å; V88-E91 PolarHBondContact O-N 3.28Å; V88-R92 WeakPolarHBondContact O-CG 3.35Å; V88-R92 PolarHBondContact O-N 3.15Å |
| 89 | Y | 92.3 | Very high | 91.5 | Very high | 56 Ų | 56 | 38.5 Ų | 38.5 | 22% | 0.22 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.4 | -37.9 | 177.7 | -77.6 | -65 | 0 | 0 | 0 | 112.5 | L85 G86 R92 G93 Q94 E97 H101 | L85-Y89 HydrophobicContact CD1-CD2 4.36Å; L85-Y89 HydrophobicContact CD1-CE2 3.88Å; L85-Y89 HydrophobicContact CD2-CE2 4.16Å; L85-Y89 HydrophobicContact CG-CD2 4.02Å; L85-Y89 HydrophobicContact CG-CE2 3.67Å; L85-Y89 VanDerWaalsContact O-CD2 3.23Å; L85-Y89 WeakPolarHBondContact O-CD2 3.42Å; L85-Y89 PolarHBondContact O-N 2.92Å; L85-Y89 VanDerWaalsContact O-N 3.09Å; G86-Y89 PolarHBondContact O-N 2.58Å; Y89-R92 PolarHBondContact O-N 3.49Å; Y89-G93 PolarHBondContact O-N 3.16Å; Y89-Q94 HydrophobicContact CD1-CB 3.93Å; Y89-Q94 HydrophobicContact CD1-CG 4.46Å; Y89-Q94 VanDerWaalsContact CD1-OE1 3.25Å; Y89-Q94 PolarHBondContact O-N 2.77Å; Y89-E97 HydrophobicContact CD1-CB 4Å; Y89-E97 HydrophobicContact CD2-CB 4.38Å; Y89-E97 HydrophobicContact CE1-CB 4.4Å; Y89-E97 HydrophobicContact CG-CB 3.99Å; Y89-H101 AromaticContact CD2-CD2 3.38Å; Y89-H101 WeakPolarHBondContact CD2-CD2 3.23Å; Y89-H101 AromaticContact CD2-NE2 3.77Å; Y89-H101 AromaticContact CE2-CD2 3.43Å; Y89-H101 VanDerWaalsContact CE2-CD2 3.43Å; Y89-H101 WeakPolarHBondContact CE2-CD2 3.27Å; Y89-H101 AromaticContact CE2-NE2 3.27Å; Y89-H101 VanDerWaalsContact CE2-NE2 3.27Å; Y89-H101 WeakPolarHBondContact CE2-NE2 3.42Å |
| 90 | K | 91.4 | Very high | 91.6 | Very high | 57 Ų | 57 | 44.1 Ų | 44.1 | 25% | 0.248 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.1 | -48.1 | 175.9 | -162.8 | -171.7 | 85.1 | -176.6 | 0 | 111.5 | G86 N87 R92 G93 L95 A98 A122 | G86-K90 PolarHBondContact O-N 3.14Å; N87-K90 PolarHBondContact O-N 3.47Å; K90-R92 PolarHBondContact O-N 2.77Å; K90-G93 PolarHBondContact O-N 2.89Å; K90-L95 HydrophobicContact CG-CD2 4.16Å; K90-A98 HydrophobicContact CB-CB 4.03Å; K90-A122 HydrophobicContact CD-CB 4.15Å; K90-A122 HydrophobicContact CG-CB 4.35Å |
| 91 | E | 90 | Very high | 91.7 | Very high | 103 Ų | 103 | 43.4 Ų | 43.4 | 48% | 0.481 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.5 | -23.7 | 178.5 | -70.1 | -59.2 | 131.9 | 0 | 0 | 113.3 | F56 L61 N87 V88 G93 | F56-E91 HydrophobicContact CE2-CB 4.44Å; F56-E91 HydrophobicContact CE2-CG 3.68Å; F56-E91 HydrophobicContact CZ-CG 3.62Å; L61-E91 HydrophobicContact CD1-CB 4.19Å; L61-E91 HydrophobicContact CD2-CB 4.39Å; N87-E91 PolarHBondContact O-N 3.04Å; N87-E91 VanDerWaalsContact O-N 3.11Å; V88-E91 PolarHBondContact O-N 3.28Å; E91-G93 VanDerWaalsContact C-N 3.28Å |
| 92 | R | 90.6 | Very high | 91.9 | Very high | 89 Ų | 89 | 43.4 Ų | 43.4 | 34% | 0.336 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -3.6 | 171.8 | -71.1 | 178.2 | 177.1 | 168.7 | 0.5 | 113.7 | L61 D62 V88 Y89 K90 Q94 | L61-R92 HydrophobicContact CD1-CG 3.98Å; D62-R92 IonicContact OD1-CZ 2.68Å; D62-R92 IonicContact OD1-NH2 3.57Å; D62-R92 PolarHBondContact OD1-NH2 3.17Å; V88-R92 WeakPolarHBondContact O-CG 3.35Å; V88-R92 PolarHBondContact O-N 3.15Å; Y89-R92 PolarHBondContact O-N 3.49Å; K90-R92 PolarHBondContact O-N 2.77Å; R92-Q94 VanDerWaalsContact C-N 3.26Å; R92-Q94 HydrophobicContact CB-CG 4.2Å; R92-Q94 PolarHBondContact O-N 2.78Å |
| 93 | G | 86.9 | Confident | 92 | Very high | 54 Ų | 54 | 47.3 Ų | 47.3 | 56% | 0.557 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | 9.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y89 K90 E91 L95 | Y89-G93 PolarHBondContact O-N 3.16Å; K90-G93 PolarHBondContact O-N 2.89Å; E91-G93 VanDerWaalsContact C-N 3.28Å; G93-L95 VanDerWaalsContact C-N 3.3Å; G93-L95 PolarHBondContact O-N 3.26Å; G93-L95 VanDerWaalsContact O-N 3.12Å |
| 94 | Q | 92.2 | Very high | 92 | Very high | 68 Ų | 68 | 50 Ų | 50 | 32% | 0.318 | 24% | 0.24 | S | C | . | . | trans | -87.6 | 71.2 | 177.8 | -63.4 | -176.3 | -79.4 | 0 | 0 | 109.3 | Y89 R92 Q96 E97 A98 | Y89-Q94 HydrophobicContact CD1-CB 3.93Å; Y89-Q94 HydrophobicContact CD1-CG 4.46Å; Y89-Q94 VanDerWaalsContact CD1-OE1 3.25Å; Y89-Q94 PolarHBondContact O-N 2.77Å; R92-Q94 VanDerWaalsContact C-N 3.26Å; R92-Q94 HydrophobicContact CB-CG 4.2Å; R92-Q94 PolarHBondContact O-N 2.78Å; Q94-Q96 PolarHBondContact O-N 2.88Å; Q94-E97 HydrophobicContact CB-CB 4.44Å; Q94-E97 WeakPolarHBondContact CB-OE2 3.4Å; Q94-A98 WeakPolarHBondContact O-CB 3.23Å; Q94-A98 PolarHBondContact O-N 3.42Å; Q94-A98 VanDerWaalsContact O-N 3.08Å | ||
| 95 | L | 91.5 | Very high | 92 | Very high | 41 Ų | 41 | 48.8 Ų | 48.8 | 22% | 0.215 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.4 | -34.9 | -167 | -63.6 | 176.2 | 0 | 0 | 0 | 113.4 | K90 G93 A98 I99 A125 A126 | K90-L95 HydrophobicContact CG-CD2 4.16Å; G93-L95 VanDerWaalsContact C-N 3.3Å; G93-L95 PolarHBondContact O-N 3.26Å; G93-L95 VanDerWaalsContact O-N 3.12Å; L95-A98 PolarHBondContact O-N 2.78Å; L95-I99 WeakPolarHBondContact O-CB 3.47Å; L95-I99 WeakPolarHBondContact O-CD1 3.49Å; L95-I99 WeakPolarHBondContact O-CG1 3.36Å; L95-I99 PolarHBondContact O-N 3.4Å; L95-A125 HydrophobicContact CD1-CB 4.05Å; L95-A125 WeakPolarHBondContact CD1-O 3.46Å; L95-A125 HydrophobicContact CD2-CB 3.95Å; L95-A126 HydrophobicContact CB-CB 4.3Å; L95-A126 HydrophobicContact CD1-CB 4.15Å |
| 96 | Q | 90.7 | Very high | 92 | Very high | 115 Ų | 115 | 49.1 Ų | 49.1 | 54% | 0.537 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.3 | -45.4 | -179.7 | -69.9 | -62 | -21 | 0 | 0 | 111.2 | Q94 A98 I99 E100 | Q94-Q96 PolarHBondContact O-N 2.88Å; Q96-A98 VanDerWaalsContact C-N 3.32Å; Q96-A98 PolarHBondContact O-N 2.91Å; Q96-I99 PolarHBondContact O-N 2.66Å; Q96-E100 WeakPolarHBondContact O-CG 3.42Å; Q96-E100 PolarHBondContact O-N 3.33Å |
| 97 | E | 91.2 | Very high | 92 | Very high | 74 Ų | 74 | 57.1 Ų | 57.1 | 35% | 0.346 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 176.2 | -61.9 | 91.6 | 147.8 | 0 | 0 | 111 | Y89 Q94 E100 H101 | Y89-E97 HydrophobicContact CD1-CB 4Å; Y89-E97 HydrophobicContact CD2-CB 4.38Å; Y89-E97 HydrophobicContact CE1-CB 4.4Å; Y89-E97 HydrophobicContact CG-CB 3.99Å; Q94-E97 HydrophobicContact CB-CB 4.44Å; Q94-E97 WeakPolarHBondContact CB-OE2 3.4Å; E97-E100 PolarHBondContact O-N 3.4Å; E97-H101 PolarHBondContact O-CD2 2.86Å; E97-H101 PolarHBondContact O-N 3.04Å |
| 98 | A | 92.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.4 | -48.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | G86 K90 Q94 L95 Q96 E100 H101 Y102 | G86-A98 WeakPolarHBondContact O-CB 3.35Å; K90-A98 HydrophobicContact CB-CB 4.03Å; Q94-A98 WeakPolarHBondContact O-CB 3.23Å; Q94-A98 PolarHBondContact O-N 3.42Å; Q94-A98 VanDerWaalsContact O-N 3.08Å; L95-A98 PolarHBondContact O-N 2.78Å; Q96-A98 VanDerWaalsContact C-N 3.32Å; Q96-A98 PolarHBondContact O-N 2.91Å; A98-E100 PolarHBondContact O-N 3.36Å; A98-H101 PolarHBondContact O-N 3.38Å; A98-Y102 HydrophobicContact CB-CE2 4.03Å; A98-Y102 WeakPolarHBondContact O-CD2 3.4Å; A98-Y102 PolarHBondContact O-N 2.81Å |
| 99 | I | 94.1 | Very high | 91.9 | Very high | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.015 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60 | -43.8 | 178.7 | -71.8 | 161.7 | 0 | 0 | 0 | 111.2 | L95 Q96 Y102 R103 L119 A122 L123 A126 | L95-I99 WeakPolarHBondContact O-CB 3.47Å; L95-I99 WeakPolarHBondContact O-CD1 3.49Å; L95-I99 WeakPolarHBondContact O-CG1 3.36Å; L95-I99 PolarHBondContact O-N 3.4Å; Q96-I99 PolarHBondContact O-N 2.66Å; I99-Y102 PolarHBondContact O-N 3.36Å; I99-R103 HydrophobicContact CG2-CG 4.43Å; I99-R103 VanDerWaalsContact CG2-CZ 3.44Å; I99-R103 WeakPolarHBondContact O-CB 3.25Å; I99-R103 WeakPolarHBondContact O-CG 3.49Å; I99-R103 PolarHBondContact O-N 2.99Å; I99-L119 HydrophobicContact CB-CD1 4.35Å; I99-L119 HydrophobicContact CG1-CD1 4.33Å; I99-L119 HydrophobicContact CG2-CD1 3.9Å; I99-A122 HydrophobicContact CG1-CB 3.95Å; I99-L123 HydrophobicContact CD1-CD2 3.75Å; I99-L123 HydrophobicContact CD1-CG 4.37Å; I99-L123 HydrophobicContact CG1-CD2 4.12Å; I99-L123 HydrophobicContact CG1-CG 4.38Å; I99-L123 HydrophobicContact CG2-CD2 4.22Å; I99-A126 HydrophobicContact CD1-CB 3.91Å |
| 100 | E | 92.9 | Very high | 91.7 | Very high | 121 Ų | 121 | 62 Ų | 62 | 57% | 0.565 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -61.3 | -43.9 | 177.3 | -75 | -177.7 | 178.8 | 0 | 0 | 112.1 | Q96 E97 A98 R103 H104 | Q96-E100 WeakPolarHBondContact O-CG 3.42Å; Q96-E100 PolarHBondContact O-N 3.33Å; E97-E100 PolarHBondContact O-N 3.4Å; A98-E100 PolarHBondContact O-N 3.36Å; E100-R103 PolarHBondContact O-N 3.2Å; E100-H104 WeakPolarHBondContact O-CB 3.4Å; E100-H104 PolarHBondContact O-N 2.93Å |
| 101 | H | 93.3 | Very high | 91.6 | Very high | 42 Ų | 42 | 63.7 Ų | 63.7 | 19% | 0.194 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.5 | -40.8 | 177.7 | -76.7 | -56.9 | 0 | 0 | 0 | 112.7 | Y82 Y89 E97 A98 H104 A105 | Y82-H101 AromaticContact CD1-ND1 3.93Å; Y89-H101 AromaticContact CD2-CD2 3.38Å; Y89-H101 WeakPolarHBondContact CD2-CD2 3.23Å; Y89-H101 AromaticContact CD2-NE2 3.77Å; Y89-H101 AromaticContact CE2-CD2 3.43Å; Y89-H101 VanDerWaalsContact CE2-CD2 3.43Å; Y89-H101 WeakPolarHBondContact CE2-CD2 3.27Å; Y89-H101 AromaticContact CE2-NE2 3.27Å; Y89-H101 VanDerWaalsContact CE2-NE2 3.27Å; Y89-H101 WeakPolarHBondContact CE2-NE2 3.42Å; E97-H101 PolarHBondContact O-CD2 2.86Å; E97-H101 PolarHBondContact O-N 3.04Å; A98-H101 PolarHBondContact O-N 3.38Å; H101-H104 PolarHBondContact O-N 3.37Å; H101-A105 PolarHBondContact O-N 3.39Å |
| 102 | Y | 94.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.5 | -43.7 | 173.4 | -62.3 | -51.7 | 0 | 0 | 0 | 112.3 | S83 G86 N87 A98 I99 H104 A105 L106 N118 L119 A122 | S83-Y102 WeakPolarHBondContact O-CE1 3.22Å; G86-Y102 VanDerWaalsContact C-CZ 3.42Å; G86-Y102 VanDerWaalsContact C-OH 3.25Å; G86-Y102 PolarHBondContact O-OH 2.85Å; N87-Y102 WeakPolarHBondContact CA-OH 3.38Å; N87-Y102 PolarHBondContact N-OH 3.07Å; N87-Y102 VanDerWaalsContact N-OH 3.12Å; N87-Y102 WeakPolarHBondContact OD1-CE1 3.47Å; N87-Y102 PolarHBondContact OD1-OH 3.13Å; A98-Y102 HydrophobicContact CB-CE2 4.03Å; A98-Y102 WeakPolarHBondContact O-CD2 3.4Å; A98-Y102 PolarHBondContact O-N 2.81Å; I99-Y102 PolarHBondContact O-N 3.36Å; Y102-H104 PolarHBondContact O-N 3.21Å; Y102-A105 WeakPolarHBondContact O-CB 3.38Å; Y102-A105 PolarHBondContact O-N 2.84Å; Y102-A105 VanDerWaalsContact O-N 3.17Å; Y102-L106 VanDerWaalsContact O-CG 3.3Å; Y102-L106 WeakPolarHBondContact O-CG 3.2Å; Y102-L106 PolarHBondContact O-N 2.95Å; Y102-N118 HydrophobicContact CD1-CB 3.99Å; Y102-N118 HydrophobicContact CE1-CB 3.5Å; Y102-N118 HydrophobicContact CE2-CB 4.21Å; Y102-L119 HydrophobicContact CG-CB 4.47Å; Y102-A122 HydrophobicContact CD2-CB 4.23Å; Y102-A122 HydrophobicContact CE2-CB 3.9Å |
| 103 | R | 93.9 | Very high | 91.6 | Very high | 109 Ų | 109 | 57.5 Ų | 57.5 | 41% | 0.411 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.1 | -37.8 | 174.1 | -75 | 175.6 | 177.4 | 156.4 | 1 | 111.3 | I99 E100 L106 R107 L119 | I99-R103 HydrophobicContact CG2-CG 4.43Å; I99-R103 VanDerWaalsContact CG2-CZ 3.44Å; I99-R103 WeakPolarHBondContact O-CB 3.25Å; I99-R103 WeakPolarHBondContact O-CG 3.49Å; I99-R103 PolarHBondContact O-N 2.99Å; E100-R103 PolarHBondContact O-N 3.2Å; R103-L106 PolarHBondContact O-N 3.17Å; R103-R107 WeakPolarHBondContact O-CG 3.33Å; R103-R107 PolarHBondContact O-N 2.88Å; R103-L119 HydrophobicContact CG-CD1 4.21Å; R103-L119 HydrophobicContact CG-CD2 4.24Å |
| 104 | H | 92.3 | Very high | 91.6 | Very high | 61 Ų | 61 | 59.4 Ų | 59.4 | 28% | 0.282 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.1 | -43.2 | 175.1 | -161 | -57.8 | 0 | 0 | 0 | 111.9 | Y82 E100 H101 Y102 L106 R107 L108 | Y82-H104 HydrophobicContact CD1-CB 4.42Å; Y82-H104 AromaticContact CE1-ND1 3.98Å; Y82-H104 AromaticContact CZ-CE1 3.86Å; Y82-H104 AromaticContact CZ-ND1 3.92Å; E100-H104 WeakPolarHBondContact O-CB 3.4Å; E100-H104 PolarHBondContact O-N 2.93Å; H101-H104 PolarHBondContact O-N 3.37Å; Y102-H104 PolarHBondContact O-N 3.21Å; H104-L106 VanDerWaalsContact C-N 3.29Å; H104-L106 PolarHBondContact O-N 2.78Å; H104-R107 PolarHBondContact CD2-NH2 3.43Å; H104-R107 PolarHBondContact O-N 3.4Å; H104-L108 WeakPolarHBondContact O-CG 3.29Å; H104-L108 PolarHBondContact O-N 3.03Å |
| 105 | A | 92.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.4 | -44.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A79 H101 Y102 L108 K109 F112 | A79-A105 HydrophobicContact CB-CB 4.33Å; A79-A105 WeakPolarHBondContact CB-O 3.46Å; A79-A105 WeakPolarHBondContact O-CB 3.29Å; H101-A105 PolarHBondContact O-N 3.39Å; Y102-A105 WeakPolarHBondContact O-CB 3.38Å; Y102-A105 PolarHBondContact O-N 2.84Å; Y102-A105 VanDerWaalsContact O-N 3.17Å; A105-L108 PolarHBondContact O-N 3.07Å; A105-K109 PolarHBondContact O-N 3.11Å; A105-F112 HydrophobicContact CB-CD1 4.45Å |
| 106 | L | 92.4 | Very high | 91.6 | Very high | 15 Ų | 15 | 55.8 Ų | 55.8 | 8% | 0.079 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.1 | -30.2 | 179.6 | -66.8 | 170.8 | 0 | 0 | 0 | 113.6 | Y102 R103 H104 L108 K109 P110 F112 Y116 L119 | Y102-L106 VanDerWaalsContact O-CG 3.3Å; Y102-L106 WeakPolarHBondContact O-CG 3.2Å; Y102-L106 PolarHBondContact O-N 2.95Å; R103-L106 PolarHBondContact O-N 3.17Å; H104-L106 VanDerWaalsContact C-N 3.29Å; H104-L106 PolarHBondContact O-N 2.78Å; L106-L108 VanDerWaalsContact C-N 3.3Å; L106-K109 CarbonylContact O-C 3.53Å; L106-K109 VanDerWaalsContact O-C 3.3Å; L106-P110 VanDerWaalsContact O-CA 3.28Å; L106-P110 WeakPolarHBondContact O-CA 3.37Å; L106-F112 HydrophobicContact CD2-CB 4.23Å; L106-F112 WeakPolarHBondContact CD2-O 3.3Å; L106-Y116 HydrophobicContact CD1-CD1 3.6Å; L106-Y116 HydrophobicContact CD1-CE1 3.7Å; L106-Y116 HydrophobicContact CD1-CG 4.1Å; L106-Y116 HydrophobicContact CD2-CD1 4.05Å; L106-Y116 HydrophobicContact CD2-CD2 3.61Å; L106-Y116 HydrophobicContact CD2-CE1 4Å; L106-Y116 HydrophobicContact CD2-CE2 3.57Å; L106-Y116 HydrophobicContact CD2-CG 3.84Å; L106-Y116 HydrophobicContact CG-CD1 4.45Å; L106-Y116 HydrophobicContact CG-CE1 4.35Å; L106-L119 HydrophobicContact CD1-CB 4.42Å; L106-L119 HydrophobicContact CD1-CD2 3.6Å |
| 107 | R | 92.6 | Very high | 91.7 | Very high | 168 Ų | 168 | 52.4 Ų | 52.4 | 63% | 0.634 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -65.2 | -35.1 | 170.6 | -77.4 | -169.2 | -62.4 | -103 | 2.2 | 112.3 | R103 H104 | R103-R107 WeakPolarHBondContact O-CG 3.33Å; R103-R107 PolarHBondContact O-N 2.88Å; H104-R107 PolarHBondContact CD2-NH2 3.43Å; H104-R107 PolarHBondContact O-N 3.4Å |
| 108 | L | 90 | Very high | 91.7 | Very high | 46 Ų | 46 | 50.5 Ų | 50.5 | 24% | 0.241 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -78.4 | -37.2 | 179.2 | -65.6 | 174 | 0 | 0 | 0 | 111.9 | M77 A79 Y82 H104 A105 L106 | M77-L108 HydrophobicContact CE-CD2 4.03Å; M77-L108 HydrophobicContact SD-CD2 3.7Å; A79-L108 HydrophobicContact CB-CB 4.16Å; Y82-L108 HydrophobicContact CD2-CD1 3.61Å; Y82-L108 HydrophobicContact CE2-CD1 3.46Å; Y82-L108 VanDerWaalsContact CE2-CD1 3.46Å; H104-L108 WeakPolarHBondContact O-CG 3.29Å; H104-L108 PolarHBondContact O-N 3.03Å; A105-L108 PolarHBondContact O-N 3.07Å; L106-L108 VanDerWaalsContact C-N 3.3Å |
| 109 | K | 91.4 | Very high | 91.7 | Very high | 70 Ų | 70 | 51.1 Ų | 51.1 | 30% | 0.304 | 24% | 0.241 | S | C | . | . | trans | -136.6 | 88.2 | -179 | -170.4 | 177.7 | 178.6 | -177.3 | 0 | 110.2 | A79 E80 A105 L106 D111 F112 | A79-K109 HydrophobicContact CB-CB 3.53Å; A79-K109 HydrophobicContact CB-CD 4.22Å; E80-K109 IonicContact OE1-NZ 2.75Å; E80-K109 PolarHBondContact OE1-NZ 3.38Å; A105-K109 PolarHBondContact O-N 3.11Å; L106-K109 CarbonylContact O-C 3.53Å; L106-K109 VanDerWaalsContact O-C 3.3Å; K109-D111 WeakPolarHBondContact CG-OD1 3.41Å; K109-D111 PolarHBondContact O-N 2.83Å; K109-F112 HydrophobicContact CB-CB 4.06Å; K109-F112 HydrophobicContact CD-CB 3.96Å; K109-F112 HydrophobicContact CD-CD2 4.34Å; K109-F112 HydrophobicContact CD-CG 4.31Å; K109-F112 HydrophobicContact CG-CB 3.87Å; K109-F112 WeakPolarHBondContact O-CB 3.38Å; K109-F112 PolarHBondContact O-N 2.8Å; K109-F112 VanDerWaalsContact O-N 3.17Å | ||
| 110 | P | 89.4 | Confident | 91.7 | Very high | 66 Ų | 66 | 51 Ų | 51 | 43% | 0.429 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -21.8 | -175 | -26.7 | 36.3 | 0 | 0 | 0 | 115.5 | L106 F112 Y116 Y142 | L106-P110 VanDerWaalsContact O-CA 3.28Å; L106-P110 WeakPolarHBondContact O-CA 3.37Å; P110-F112 VanDerWaalsContact C-N 3.32Å; P110-Y116 WeakPolarHBondContact O-CE2 3.44Å; P110-Y116 PolarHBondContact O-OH 2.89Å; P110-Y142 WeakPolarHBondContact O-CE2 3.41Å; P110-Y142 PolarHBondContact O-OH 2.94Å |
| 111 | D | 88.9 | Confident | 91.6 | Very high | 93 Ų | 93 | 46.8 Ų | 46.8 | 50% | 0.497 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 12 | 177.5 | 64.5 | -28 | 0 | 0 | 0 | 113.2 | K109 I113 Y142 | K109-D111 WeakPolarHBondContact CG-OD1 3.41Å; K109-D111 PolarHBondContact O-N 2.83Å; D111-I113 PolarHBondContact O-N 3.13Å; D111-Y142 HydrophobicContact CB-CD1 3.91Å; D111-Y142 HydrophobicContact CB-CE1 3.81Å |
| 112 | F | 91.1 | Very high | 91.5 | Very high | 22 Ų | 22 | 44.8 Ų | 44.8 | 10% | 0.096 | 22% | 0.217 | C | C | . | . | trans | -80.3 | 86.6 | -177.9 | -174.1 | -132 | 0 | 0 | 0 | 112.7 | E80 S83 A105 L106 K109 P110 D114 G115 Y116 | E80-F112 HydrophobicContact CG-CE2 4.49Å; S83-F112 WeakPolarHBondContact OG-CE1 3.48Å; A105-F112 HydrophobicContact CB-CD1 4.45Å; L106-F112 HydrophobicContact CD2-CB 4.23Å; L106-F112 WeakPolarHBondContact CD2-O 3.3Å; K109-F112 HydrophobicContact CB-CB 4.06Å; K109-F112 HydrophobicContact CD-CB 3.96Å; K109-F112 HydrophobicContact CD-CD2 4.34Å; K109-F112 HydrophobicContact CD-CG 4.31Å; K109-F112 HydrophobicContact CG-CB 3.87Å; K109-F112 WeakPolarHBondContact O-CB 3.38Å; K109-F112 PolarHBondContact O-N 2.8Å; K109-F112 VanDerWaalsContact O-N 3.17Å; P110-F112 VanDerWaalsContact C-N 3.32Å; F112-D114 HydrophobicContact CE2-CB 3.93Å; F112-D114 HydrophobicContact CZ-CB 3.93Å; F112-D114 PolarHBondContact O-N 2.9Å; F112-G115 VanDerWaalsContact CD1-CA 3.47Å; F112-G115 WeakPolarHBondContact O-CA 3.3Å; F112-G115 PolarHBondContact O-N 3.21Å; F112-Y116 WeakPolarHBondContact O-CD2 3.15Å; F112-Y116 PolarHBondContact O-N 2.97Å | ||
| 113 | I | 89.9 | Confident | 91.4 | Very high | 40 Ų | 40 | 45 Ų | 45 | 21% | 0.205 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -52.3 | -50.5 | -177.4 | -64.3 | 167.4 | 0 | 0 | 0 | 112.6 | D111 G115 Y116 I117 A139 N143 L146 | D111-I113 PolarHBondContact O-N 3.13Å; I113-G115 PolarHBondContact O-N 3.17Å; I113-Y116 PolarHBondContact O-N 3.39Å; I113-I117 HydrophobicContact CG2-CD1 3.88Å; I113-I117 HydrophobicContact CG2-CG1 4.44Å; I113-I117 PolarHBondContact O-N 3.45Å; I113-A139 HydrophobicContact CG2-CB 4.5Å; I113-N143 HydrophobicContact CD1-CB 3.57Å; I113-L146 HydrophobicContact CG2-CD1 3.55Å |
| 114 | D | 87 | Confident | 91.2 | Very high | 94 Ų | 94 | 43 Ų | 43 | 50% | 0.503 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.5 | -30.2 | -179.7 | -65.3 | -33.2 | 0 | 0 | 0 | 111.9 | F112 N118 | F112-D114 HydrophobicContact CE2-CB 3.93Å; F112-D114 HydrophobicContact CZ-CB 3.93Å; F112-D114 PolarHBondContact O-N 2.9Å; D114-N118 VanDerWaalsContact O-CB 3.32Å; D114-N118 WeakPolarHBondContact O-CB 3.37Å; D114-N118 VanDerWaalsContact O-CG 3.23Å; D114-N118 PolarHBondContact O-N 2.99Å; D114-N118 PolarHBondContact O-ND2 2.92Å |
| 115 | G | 89.5 | Confident | 91 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.3 | -41.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F112 I113 L119 | F112-G115 VanDerWaalsContact CD1-CA 3.47Å; F112-G115 WeakPolarHBondContact O-CA 3.3Å; F112-G115 PolarHBondContact O-N 3.21Å; I113-G115 PolarHBondContact O-N 3.17Å; G115-L119 WeakPolarHBondContact O-CB 3.3Å; G115-L119 PolarHBondContact O-N 2.92Å |
| 116 | Y | 93.3 | Very high | 90.9 | Very high | 33 Ų | 33 | 45.2 Ų | 45.2 | 13% | 0.129 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70.1 | -40 | 176.1 | -73 | -71.5 | 0 | 0 | 0 | 112.5 | L106 P110 F112 I113 L119 A120 A135 Y142 | L106-Y116 HydrophobicContact CD1-CD1 3.6Å; L106-Y116 HydrophobicContact CD1-CE1 3.7Å; L106-Y116 HydrophobicContact CD1-CG 4.1Å; L106-Y116 HydrophobicContact CD2-CD1 4.05Å; L106-Y116 HydrophobicContact CD2-CD2 3.61Å; L106-Y116 HydrophobicContact CD2-CE1 4Å; L106-Y116 HydrophobicContact CD2-CE2 3.57Å; L106-Y116 HydrophobicContact CD2-CG 3.84Å; L106-Y116 HydrophobicContact CG-CD1 4.45Å; L106-Y116 HydrophobicContact CG-CE1 4.35Å; P110-Y116 WeakPolarHBondContact O-CE2 3.44Å; P110-Y116 PolarHBondContact O-OH 2.89Å; F112-Y116 WeakPolarHBondContact O-CD2 3.15Å; F112-Y116 PolarHBondContact O-N 2.97Å; I113-Y116 PolarHBondContact O-N 3.39Å; Y116-L119 PolarHBondContact O-N 3.48Å; Y116-A120 WeakPolarHBondContact O-CB 3.41Å; Y116-A120 PolarHBondContact O-N 3.22Å; Y116-A135 WeakPolarHBondContact CB-O 3.39Å; Y116-Y142 HydrophobicContact CD2-CD2 4.47Å; Y116-Y142 AromaticContact CE2-CD2 3.92Å; Y116-Y142 HydrophobicContact CE2-CD2 3.92Å; Y116-Y142 AromaticContact CE2-CE2 3.68Å; Y116-Y142 HydrophobicContact CE2-CE2 3.68Å |
| 117 | I | 92.5 | Very high | 90.6 | Very high | 43 Ų | 43 | 47 Ų | 47 | 22% | 0.221 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.9 | -47.1 | 177.2 | -63.9 | 170.2 | 0 | 0 | 0 | 110.1 | I113 A120 A121 A139 V149 | I113-I117 HydrophobicContact CG2-CD1 3.88Å; I113-I117 HydrophobicContact CG2-CG1 4.44Å; I113-I117 PolarHBondContact O-N 3.45Å; I117-A120 PolarHBondContact O-N 2.95Å; I117-A121 PolarHBondContact O-N 3.29Å; I117-A139 HydrophobicContact CG1-CB 4.25Å; I117-V149 HydrophobicContact CD1-CG2 3.61Å; I117-V149 HydrophobicContact CG1-CG1 4.48Å; I117-V149 HydrophobicContact CG1-CG2 3.93Å |
| 118 | N | 91.7 | Very high | 90.6 | Very high | 35 Ų | 35 | 42.2 Ų | 42.2 | 19% | 0.187 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.8 | -37.6 | 178.5 | -71.2 | -34.3 | 0 | 0 | 0 | 112.3 | Y102 D114 A121 A122 | Y102-N118 HydrophobicContact CD1-CB 3.99Å; Y102-N118 HydrophobicContact CE1-CB 3.5Å; Y102-N118 HydrophobicContact CE2-CB 4.21Å; D114-N118 VanDerWaalsContact O-CB 3.32Å; D114-N118 WeakPolarHBondContact O-CB 3.37Å; D114-N118 VanDerWaalsContact O-CG 3.23Å; D114-N118 PolarHBondContact O-N 2.99Å; D114-N118 PolarHBondContact O-ND2 2.92Å; N118-A121 PolarHBondContact O-N 3.4Å; N118-A122 WeakPolarHBondContact O-CB 3.24Å; N118-A122 PolarHBondContact O-N 3.22Å |
| 119 | L | 93.5 | Very high | 90.5 | Very high | 13 Ų | 13 | 43.8 Ų | 43.8 | 7% | 0.068 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.8 | -47.3 | 172.2 | 176.4 | 60.7 | 0 | 0 | 0 | 111.3 | I99 Y102 R103 L106 G115 Y116 A121 A122 L123 A135 | I99-L119 HydrophobicContact CB-CD1 4.35Å; I99-L119 HydrophobicContact CG1-CD1 4.33Å; I99-L119 HydrophobicContact CG2-CD1 3.9Å; Y102-L119 HydrophobicContact CG-CB 4.47Å; R103-L119 HydrophobicContact CG-CD1 4.21Å; R103-L119 HydrophobicContact CG-CD2 4.24Å; L106-L119 HydrophobicContact CD1-CB 4.42Å; L106-L119 HydrophobicContact CD1-CD2 3.6Å; G115-L119 WeakPolarHBondContact O-CB 3.3Å; G115-L119 PolarHBondContact O-N 2.92Å; Y116-L119 PolarHBondContact O-N 3.48Å; L119-A121 PolarHBondContact O-N 2.95Å; L119-A122 PolarHBondContact O-N 3.01Å; L119-L123 HydrophobicContact CD1-CD1 3.79Å; L119-L123 HydrophobicContact CD1-CG 3.96Å; L119-L123 HydrophobicContact CD2-CD1 4.38Å; L119-L123 HydrophobicContact CG-CD1 3.69Å; L119-L123 HydrophobicContact CG-CG 4.31Å; L119-L123 WeakPolarHBondContact O-CB 3.23Å; L119-L123 VanDerWaalsContact O-CG 3.25Å; L119-L123 WeakPolarHBondContact O-CG 3.19Å; L119-L123 PolarHBondContact O-N 3.24Å; L119-A135 HydrophobicContact CD2-CB 4.23Å; L119-A135 HydrophobicContact CG-CB 4.23Å |
| 120 | A | 92.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.9 | -45.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y116 I117 A122 L123 V124 A135 Y136 | Y116-A120 WeakPolarHBondContact O-CB 3.41Å; Y116-A120 PolarHBondContact O-N 3.22Å; I117-A120 PolarHBondContact O-N 2.95Å; A120-A122 VanDerWaalsContact C-N 3.34Å; A120-A122 PolarHBondContact O-N 2.93Å; A120-L123 PolarHBondContact O-N 3.23Å; A120-V124 WeakPolarHBondContact O-CG2 3.28Å; A120-V124 PolarHBondContact O-N 3.34Å; A120-A135 HydrophobicContact CB-CB 3.77Å; A120-Y136 HydrophobicContact CB-CD1 3.5Å; A120-Y136 HydrophobicContact CB-CD2 3.85Å; A120-Y136 HydrophobicContact CB-CE1 3.38Å; A120-Y136 HydrophobicContact CB-CE2 3.73Å; A120-Y136 HydrophobicContact CB-CG 3.75Å; A120-Y136 VanDerWaalsContact CB-CZ 3.49Å |
| 121 | A | 91.1 | Very high | 90.5 | Very high | 32 Ų | 32 | 42.2 Ų | 42.2 | 26% | 0.264 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I117 N118 L119 A125 | I117-A121 PolarHBondContact O-N 3.29Å; N118-A121 PolarHBondContact O-N 3.4Å; L119-A121 PolarHBondContact O-N 2.95Å; A121-A125 PolarHBondContact O-N 3.45Å |
| 122 | A | 91.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.9 | -36.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K90 I99 Y102 N118 L119 A120 A125 A126 | K90-A122 HydrophobicContact CD-CB 4.15Å; K90-A122 HydrophobicContact CG-CB 4.35Å; I99-A122 HydrophobicContact CG1-CB 3.95Å; Y102-A122 HydrophobicContact CD2-CB 4.23Å; Y102-A122 HydrophobicContact CE2-CB 3.9Å; N118-A122 WeakPolarHBondContact O-CB 3.24Å; N118-A122 PolarHBondContact O-N 3.22Å; L119-A122 PolarHBondContact O-N 3.01Å; A120-A122 VanDerWaalsContact C-N 3.34Å; A120-A122 PolarHBondContact O-N 2.93Å; A122-A125 PolarHBondContact O-N 3.05Å; A122-A126 WeakPolarHBondContact O-CB 3.31Å; A122-A126 PolarHBondContact O-N 3.07Å |
| 123 | L | 92.8 | Very high | 90.9 | Very high | 5 Ų | 5 | 37.3 Ų | 37.3 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.4 | -40.5 | 176.4 | -72.7 | 168.3 | 0 | 0 | 0 | 112.1 | I99 L119 A120 A125 A126 G127 D128 G131 A132 A135 | I99-L123 HydrophobicContact CD1-CD2 3.75Å; I99-L123 HydrophobicContact CD1-CG 4.37Å; I99-L123 HydrophobicContact CG1-CD2 4.12Å; I99-L123 HydrophobicContact CG1-CG 4.38Å; I99-L123 HydrophobicContact CG2-CD2 4.22Å; L119-L123 HydrophobicContact CD1-CD1 3.79Å; L119-L123 HydrophobicContact CD1-CG 3.96Å; L119-L123 HydrophobicContact CD2-CD1 4.38Å; L119-L123 HydrophobicContact CG-CD1 3.69Å; L119-L123 HydrophobicContact CG-CG 4.31Å; L119-L123 WeakPolarHBondContact O-CB 3.23Å; L119-L123 VanDerWaalsContact O-CG 3.25Å; L119-L123 WeakPolarHBondContact O-CG 3.19Å; L119-L123 PolarHBondContact O-N 3.24Å; A120-L123 PolarHBondContact O-N 3.23Å; L123-A125 VanDerWaalsContact C-N 3.35Å; L123-A125 PolarHBondContact O-N 2.96Å; L123-A126 CarbonylContact O-C 3.34Å; L123-A126 PolarHBondContact O-N 3.42Å; L123-G127 PolarHBondContact O-N 3.27Å; L123-D128 HydrophobicContact CB-CB 4.47Å; L123-D128 HydrophobicContact CD2-CB 3.98Å; L123-D128 PolarHBondContact O-N 2.98Å; L123-G131 VanDerWaalsContact CD1-C 3.48Å; L123-A132 HydrophobicContact CB-CB 3.83Å; L123-A135 HydrophobicContact CD1-CB 4.43Å |
| 124 | V | 90 | Very high | 91 | Very high | 67 Ų | 67 | 41.8 Ų | 41.8 | 41% | 0.406 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59 | -46.9 | 171.8 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | A120 A126 G127 A132 L156 | A120-V124 WeakPolarHBondContact O-CG2 3.28Å; A120-V124 PolarHBondContact O-N 3.34Å; V124-A126 PolarHBondContact O-N 2.96Å; V124-G127 PolarHBondContact O-N 3.26Å; V124-G127 VanDerWaalsContact O-N 3.12Å; V124-A132 HydrophobicContact CG2-CB 3.58Å; V124-L156 HydrophobicContact CG2-CD1 4.07Å; V124-L156 HydrophobicContact CG2-CD2 4.2Å |
| 125 | A | 88.1 | Confident | 91.3 | Very high | 64 Ų | 64 | 37.5 Ų | 37.5 | 53% | 0.529 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.8 | -29.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | L95 A121 A122 L123 | L95-A125 HydrophobicContact CD1-CB 4.05Å; L95-A125 WeakPolarHBondContact CD1-O 3.46Å; L95-A125 HydrophobicContact CD2-CB 3.95Å; A121-A125 PolarHBondContact O-N 3.45Å; A122-A125 PolarHBondContact O-N 3.05Å; L123-A125 VanDerWaalsContact C-N 3.35Å; L123-A125 PolarHBondContact O-N 2.96Å |
| 126 | A | 88.1 | Confident | 91.5 | Very high | 43 Ų | 43 | 38.5 Ų | 38.5 | 36% | 0.355 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -84.6 | -5.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | L95 I99 A122 L123 V124 | L95-A126 HydrophobicContact CB-CB 4.3Å; L95-A126 HydrophobicContact CD1-CB 4.15Å; I99-A126 HydrophobicContact CD1-CB 3.91Å; A122-A126 WeakPolarHBondContact O-CB 3.31Å; A122-A126 PolarHBondContact O-N 3.07Å; L123-A126 CarbonylContact O-C 3.34Å; L123-A126 PolarHBondContact O-N 3.42Å; V124-A126 PolarHBondContact O-N 2.96Å |
| 127 | G | 87.4 | Confident | 91.5 | Very high | 54 Ų | 54 | 39.7 Ų | 39.7 | 56% | 0.557 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.3 | 3.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L123 V124 M129 | L123-G127 PolarHBondContact O-N 3.27Å; V124-G127 PolarHBondContact O-N 3.26Å; V124-G127 VanDerWaalsContact O-N 3.12Å; G127-M129 PolarHBondContact O-N 3.02Å; G127-M129 VanDerWaalsContact O-N 3.17Å |
| 128 | D | 91.4 | Very high | 91.5 | Very high | 66 Ų | 66 | 39.1 Ų | 39.1 | 35% | 0.353 | 24% | 0.242 | S | C | . | . | trans | -86.5 | 80.2 | 175.1 | -176.8 | 5.4 | 0 | 0 | 0 | 110.5 | L123 G131 A132 | L123-D128 HydrophobicContact CB-CB 4.47Å; L123-D128 HydrophobicContact CD2-CB 3.98Å; L123-D128 PolarHBondContact O-N 2.98Å; D128-G131 PolarHBondContact OD1-N 3.18Å; D128-A132 PolarHBondContact O-N 3.44Å; D128-A132 VanDerWaalsContact O-N 3.13Å | ||
| 129 | M | 89.5 | Confident | 91.5 | Very high | 80 Ų | 80 | 37.4 Ų | 37.4 | 39% | 0.394 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -69 | -37.3 | -174.9 | -61.7 | -170.5 | -174.3 | 0 | 0 | 113 | G127 A132 V133 L156 L160 | G127-M129 PolarHBondContact O-N 3.02Å; G127-M129 VanDerWaalsContact O-N 3.17Å; M129-A132 PolarHBondContact O-N 2.88Å; M129-V133 WeakPolarHBondContact O-CG2 3.5Å; M129-V133 PolarHBondContact O-N 3.32Å; M129-L156 HydrophobicContact CB-CD1 4.07Å; M129-L156 HydrophobicContact CG-CD1 4.14Å; M129-L156 HydrophobicContact SD-CD1 4.48Å; M129-L160 HydrophobicContact CB-CD1 4.2Å; M129-L160 HydrophobicContact CB-CD2 3.82Å; M129-L160 HydrophobicContact CB-CG 4.28Å; M129-L160 HydrophobicContact CG-CD2 4.39Å; M129-L160 HydrophobicContact SD-CD2 3.67Å; M129-L160 HydrophobicContact SD-CG 4.25Å |
| 130 | E | 89.7 | Confident | 91.4 | Very high | 88 Ų | 88 | 37.6 Ų | 37.6 | 41% | 0.411 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -72.6 | -37.7 | 179.4 | -75.8 | -66.2 | 161.8 | 0 | 0 | 111.7 | A132 V133 Q134 R162 | E130-A132 VanDerWaalsContact C-N 3.3Å; E130-A132 PolarHBondContact O-N 2.62Å; E130-V133 PolarHBondContact O-N 3.15Å; E130-Q134 PolarHBondContact O-N 3.38Å; E130-Q134 VanDerWaalsContact O-N 3.11Å; E130-R162 IonicContact OE1-NH1 3.17Å; E130-R162 PolarHBondContact OE1-NH1 3.31Å; E130-R162 IonicContact OE2-NH1 2.74Å; E130-R162 PolarHBondContact OE2-NH1 2.92Å |
| 131 | G | 91.4 | Very high | 91.4 | Very high | 14 Ų | 14 | 44.2 Ų | 44.2 | 14% | 0.144 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.7 | -39.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L123 D128 Q134 A135 | L123-G131 VanDerWaalsContact CD1-C 3.48Å; D128-G131 PolarHBondContact OD1-N 3.18Å; G131-Q134 PolarHBondContact O-N 3.03Å; G131-A135 PolarHBondContact O-N 3.43Å |
| 132 | A | 92.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.9 | -39.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L123 V124 D128 M129 E130 Q134 A135 Y136 L156 | L123-A132 HydrophobicContact CB-CB 3.83Å; V124-A132 HydrophobicContact CG2-CB 3.58Å; D128-A132 PolarHBondContact O-N 3.44Å; D128-A132 VanDerWaalsContact O-N 3.13Å; M129-A132 PolarHBondContact O-N 2.88Å; E130-A132 VanDerWaalsContact C-N 3.3Å; E130-A132 PolarHBondContact O-N 2.62Å; A132-Q134 VanDerWaalsContact C-N 3.35Å; A132-Q134 PolarHBondContact O-N 2.91Å; A132-A135 PolarHBondContact O-N 3.36Å; A132-Y136 WeakPolarHBondContact O-CD2 3.11Å; A132-Y136 PolarHBondContact O-N 3.16Å; A132-L156 HydrophobicContact CB-CD2 3.64Å |
| 133 | V | 94 | Very high | 91.2 | Very high | 12 Ų | 12 | 50.4 Ų | 50.4 | 7% | 0.073 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.1 | -49 | 172.6 | 166.3 | 0 | 0 | 0 | 0 | 110.4 | M129 E130 A135 Y136 V137 L153 L156 L157 L160 | M129-V133 WeakPolarHBondContact O-CG2 3.5Å; M129-V133 PolarHBondContact O-N 3.32Å; E130-V133 PolarHBondContact O-N 3.15Å; V133-A135 VanDerWaalsContact C-N 3.34Å; V133-A135 PolarHBondContact O-N 2.8Å; V133-Y136 PolarHBondContact O-N 3.23Å; V133-V137 HydrophobicContact CG1-CG2 4.34Å; V133-V137 VanDerWaalsContact O-CG2 3.29Å; V133-V137 WeakPolarHBondContact O-CG2 3.47Å; V133-V137 PolarHBondContact O-N 2.9Å; V133-L153 HydrophobicContact CB-CD1 4.26Å; V133-L153 HydrophobicContact CG1-CD1 4.02Å; V133-L153 HydrophobicContact CG2-CD1 4.12Å; V133-L156 HydrophobicContact CB-CD2 4.49Å; V133-L156 HydrophobicContact CG2-CD2 3.61Å; V133-L156 HydrophobicContact CG2-CG 3.99Å; V133-L157 HydrophobicContact CG1-CD2 4.4Å; V133-L157 HydrophobicContact CG2-CD2 4.1Å; V133-L160 HydrophobicContact CG2-CD1 4.03Å |
| 134 | Q | 92.7 | Very high | 90.9 | Very high | 134 Ų | 134 | 53.4 Ų | 53.4 | 63% | 0.626 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -60.7 | -43.5 | 179.1 | -68.9 | 178.2 | 8.8 | 0 | 0 | 111.9 | E130 G131 A132 V137 S138 | E130-Q134 PolarHBondContact O-N 3.38Å; E130-Q134 VanDerWaalsContact O-N 3.11Å; G131-Q134 PolarHBondContact O-N 3.03Å; A132-Q134 VanDerWaalsContact C-N 3.35Å; A132-Q134 PolarHBondContact O-N 2.91Å; Q134-V137 PolarHBondContact O-N 3.18Å; Q134-S138 WeakPolarHBondContact O-CB 3.42Å; Q134-S138 PolarHBondContact O-N 3.41Å; Q134-S138 PolarHBondContact O-OG 2.79Å |
| 135 | A | 92.6 | Very high | 90.8 | Very high | 5 Ų | 5 | 55.4 Ų | 55.4 | 4% | 0.041 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62 | -44.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y116 L119 A120 L123 G131 A132 V133 S138 A139 | Y116-A135 WeakPolarHBondContact CB-O 3.39Å; L119-A135 HydrophobicContact CD2-CB 4.23Å; L119-A135 HydrophobicContact CG-CB 4.23Å; A120-A135 HydrophobicContact CB-CB 3.77Å; L123-A135 HydrophobicContact CD1-CB 4.43Å; G131-A135 PolarHBondContact O-N 3.43Å; A132-A135 PolarHBondContact O-N 3.36Å; V133-A135 VanDerWaalsContact C-N 3.34Å; V133-A135 PolarHBondContact O-N 2.8Å; A135-S138 PolarHBondContact O-N 2.87Å; A135-A139 PolarHBondContact O-N 2.65Å |
| 136 | Y | 94.1 | Very high | 91 | Very high | 21 Ų | 21 | 54.5 Ų | 54.5 | 8% | 0.082 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.2 | -39.1 | 174.6 | -75.6 | -43.3 | 0 | 0 | 0 | 113.3 | A120 A132 V133 S138 A139 L140 V149 D152 L153 L156 | A120-Y136 HydrophobicContact CB-CD1 3.5Å; A120-Y136 HydrophobicContact CB-CD2 3.85Å; A120-Y136 HydrophobicContact CB-CE1 3.38Å; A120-Y136 HydrophobicContact CB-CE2 3.73Å; A120-Y136 HydrophobicContact CB-CG 3.75Å; A120-Y136 VanDerWaalsContact CB-CZ 3.49Å; A132-Y136 WeakPolarHBondContact O-CD2 3.11Å; A132-Y136 PolarHBondContact O-N 3.16Å; V133-Y136 PolarHBondContact O-N 3.23Å; Y136-S138 VanDerWaalsContact C-N 3.34Å; Y136-A139 PolarHBondContact O-N 3.47Å; Y136-L140 WeakPolarHBondContact O-CG 3.46Å; Y136-L140 PolarHBondContact O-N 3.35Å; Y136-V149 HydrophobicContact CD1-CG1 3.49Å; Y136-V149 VanDerWaalsContact CD1-CG1 3.49Å; Y136-V149 HydrophobicContact CE1-CG1 4.09Å; Y136-V149 HydrophobicContact CG-CG1 4.24Å; Y136-D152 HydrophobicContact CE2-CB 4.43Å; Y136-L153 HydrophobicContact CD2-CB 4.33Å; Y136-L153 HydrophobicContact CD2-CD1 4.49Å; Y136-L153 HydrophobicContact CG-CB 4.43Å; Y136-L156 HydrophobicContact CD2-CD2 4.27Å; Y136-L156 HydrophobicContact CE2-CD2 4.38Å |
| 137 | V | 93.4 | Very high | 91 | Very high | 58 Ų | 58 | 56.2 Ų | 56.2 | 35% | 0.352 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 174.6 | 169.7 | 0 | 0 | 0 | 0 | 110.6 | V133 Q134 L140 Q141 L153 | V133-V137 HydrophobicContact CG1-CG2 4.34Å; V133-V137 VanDerWaalsContact O-CG2 3.29Å; V133-V137 WeakPolarHBondContact O-CG2 3.47Å; V133-V137 PolarHBondContact O-N 2.9Å; Q134-V137 PolarHBondContact O-N 3.18Å; V137-L140 PolarHBondContact O-N 3.29Å; V137-Q141 WeakPolarHBondContact O-CG 3.44Å; V137-Q141 PolarHBondContact O-N 2.74Å; V137-L153 HydrophobicContact CG2-CD2 3.93Å |
| 138 | S | 92.7 | Very high | 91.1 | Very high | 30 Ų | 30 | 56.3 Ų | 56.3 | 21% | 0.21 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 175.1 | -67.1 | 0 | 0 | 0 | 0 | 112.1 | Q134 A135 Y136 L140 Q141 Y142 | Q134-S138 WeakPolarHBondContact O-CB 3.42Å; Q134-S138 PolarHBondContact O-N 3.41Å; Q134-S138 PolarHBondContact O-OG 2.79Å; A135-S138 PolarHBondContact O-N 2.87Å; Y136-S138 VanDerWaalsContact C-N 3.34Å; S138-L140 VanDerWaalsContact C-N 3.3Å; S138-L140 PolarHBondContact O-N 2.93Å; S138-Q141 WeakPolarHBondContact O-CB 3.5Å; S138-Q141 PolarHBondContact O-N 2.88Å; S138-Y142 WeakPolarHBondContact O-CD2 3.46Å; S138-Y142 PolarHBondContact O-N 3.47Å |
| 139 | A | 91.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.7 | -43.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I113 I117 A135 Y136 Q141 Y142 N143 V149 | I113-A139 HydrophobicContact CG2-CB 4.5Å; I117-A139 HydrophobicContact CG1-CB 4.25Å; A135-A139 PolarHBondContact O-N 2.65Å; Y136-A139 PolarHBondContact O-N 3.47Å; A139-Q141 VanDerWaalsContact C-N 3.35Å; A139-Y142 PolarHBondContact O-N 2.97Å; A139-N143 PolarHBondContact O-N 2.82Å; A139-V149 HydrophobicContact CB-CG1 4.41Å |
| 140 | L | 91.3 | Very high | 91.3 | Very high | 16 Ų | 16 | 51.3 Ų | 51.3 | 8% | 0.084 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -73.8 | -21.1 | 179.7 | -68.6 | 168.6 | 0 | 0 | 0 | 113.9 | Y136 V137 S138 N143 P144 L146 V149 R150 L153 | Y136-L140 WeakPolarHBondContact O-CG 3.46Å; Y136-L140 PolarHBondContact O-N 3.35Å; V137-L140 PolarHBondContact O-N 3.29Å; S138-L140 VanDerWaalsContact C-N 3.3Å; S138-L140 PolarHBondContact O-N 2.93Å; L140-N143 CarbonylContact O-C 3.36Å; L140-P144 WeakPolarHBondContact O-CA 3.44Å; L140-L146 HydrophobicContact CD2-CB 4.04Å; L140-V149 HydrophobicContact CD2-CB 4.34Å; L140-V149 HydrophobicContact CD2-CG1 4.34Å; L140-V149 HydrophobicContact CG-CG1 4.21Å; L140-R150 HydrophobicContact CD1-CB 4.05Å; L140-R150 HydrophobicContact CD1-CG 4.25Å; L140-R150 HydrophobicContact CD2-CB 4.04Å; L140-L153 HydrophobicContact CD1-CD2 3.79Å |
| 141 | Q | 91.9 | Very high | 91.4 | Very high | 139 Ų | 139 | 47.2 Ų | 47.2 | 65% | 0.65 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -68.6 | -38.9 | 171.3 | -76.9 | 174.1 | -7 | 0 | 0 | 111.6 | V137 S138 A139 | V137-Q141 WeakPolarHBondContact O-CG 3.44Å; V137-Q141 PolarHBondContact O-N 2.74Å; S138-Q141 WeakPolarHBondContact O-CB 3.5Å; S138-Q141 PolarHBondContact O-N 2.88Å; A139-Q141 VanDerWaalsContact C-N 3.35Å |
| 142 | Y | 89.4 | Confident | 91.4 | Very high | 111 Ų | 111 | 50 Ų | 50 | 44% | 0.435 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -78.9 | -36.7 | 177.8 | -71.4 | -71.9 | 0 | 0 | 0 | 112.7 | P110 D111 Y116 S138 A139 | P110-Y142 WeakPolarHBondContact O-CE2 3.41Å; P110-Y142 PolarHBondContact O-OH 2.94Å; D111-Y142 HydrophobicContact CB-CD1 3.91Å; D111-Y142 HydrophobicContact CB-CE1 3.81Å; Y116-Y142 HydrophobicContact CD2-CD2 4.47Å; Y116-Y142 AromaticContact CE2-CD2 3.92Å; Y116-Y142 HydrophobicContact CE2-CD2 3.92Å; Y116-Y142 AromaticContact CE2-CE2 3.68Å; Y116-Y142 HydrophobicContact CE2-CE2 3.68Å; S138-Y142 WeakPolarHBondContact O-CD2 3.46Å; S138-Y142 PolarHBondContact O-N 3.47Å; A139-Y142 PolarHBondContact O-N 2.97Å |
| 143 | N | 88.9 | Confident | 91.4 | Very high | 51 Ų | 51 | 50.4 Ų | 50.4 | 27% | 0.273 | 26% | 0.257 | S | S | . | . | trans | -136.3 | 99.2 | 172.4 | -175.2 | -8 | 0 | 0 | 0 | 111.5 | I113 A139 L140 D145 L146 | I113-N143 HydrophobicContact CD1-CB 3.57Å; A139-N143 PolarHBondContact O-N 2.82Å; L140-N143 CarbonylContact O-C 3.36Å; N143-D145 PolarHBondContact O-N 3.48Å; N143-D145 PolarHBondContact OD1-N 2.57Å; N143-L146 HydrophobicContact CB-CD1 3.88Å; N143-L146 HydrophobicContact CB-CG 3.99Å | ||
| 144 | P | 87.6 | Confident | 91.4 | Very high | 68 Ų | 68 | 49.8 Ų | 49.8 | 44% | 0.442 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -13.9 | 179.8 | -23.1 | 34.6 | 0 | 0 | 0 | 115.1 | L140 R150 | L140-P144 WeakPolarHBondContact O-CA 3.44Å; P144-R150 PolarHBondContact O-NH1 3.03Å; P144-R150 PolarHBondContact O-NH2 2.81Å; P144-R150 VanDerWaalsContact O-NH2 3.11Å |
| 145 | D | 88.2 | Confident | 91.3 | Very high | 110 Ų | 110 | 45.9 Ų | 45.9 | 59% | 0.588 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91 | 2.1 | -172.7 | -63.8 | -33 | 0 | 0 | 0 | 113.6 | N143 Y147 T176 | N143-D145 PolarHBondContact O-N 3.48Å; N143-D145 PolarHBondContact OD1-N 2.57Å; D145-Y147 VanDerWaalsContact C-N 3.27Å; D145-Y147 PolarHBondContact O-N 2.86Å; D145-T176 HydrophobicContact CB-CG2 4.26Å; D145-T176 WeakPolarHBondContact O-CG2 3.36Å |
| 146 | L | 90.9 | Very high | 91.2 | Very high | 45 Ų | 45 | 46.3 Ų | 46.3 | 24% | 0.236 | 24% | 0.239 | C | C | . | . | trans | -75 | 74.2 | 178 | -61.2 | 173.2 | 0 | 0 | 0 | 112 | I113 L140 N143 C148 V149 R150 | I113-L146 HydrophobicContact CG2-CD1 3.55Å; L140-L146 HydrophobicContact CD2-CB 4.04Å; N143-L146 HydrophobicContact CB-CD1 3.88Å; N143-L146 HydrophobicContact CB-CG 3.99Å; L146-C148 VanDerWaalsContact C-N 3.3Å; L146-C148 PolarHBondContact O-N 2.79Å; L146-V149 HydrophobicContact CB-CB 3.97Å; L146-V149 HydrophobicContact CB-CG2 3.94Å; L146-V149 HydrophobicContact CD1-CG2 4.28Å; L146-V149 PolarHBondContact O-N 3.35Å; L146-R150 PolarHBondContact O-N 2.93Å | ||
| 147 | Y | 89.7 | Confident | 91.1 | Very high | 78 Ų | 78 | 45.6 Ų | 45.6 | 31% | 0.306 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.9 | -33.6 | -176.6 | 65.7 | -91.3 | 0 | 0 | 0 | 113.9 | D145 R150 S151 T176 Q177 F180 | D145-Y147 VanDerWaalsContact C-N 3.27Å; D145-Y147 PolarHBondContact O-N 2.86Å; Y147-R150 PolarHBondContact O-N 3.14Å; Y147-S151 PolarHBondContact O-N 2.74Å; Y147-T176 HydrophobicContact CD1-CG2 4.41Å; Y147-Q177 HydrophobicContact CD1-CB 3.83Å; Y147-Q177 HydrophobicContact CD1-CG 4.46Å; Y147-Q177 HydrophobicContact CD2-CB 3.95Å; Y147-Q177 HydrophobicContact CD2-CG 4.35Å; Y147-Q177 HydrophobicContact CE1-CB 4.1Å; Y147-Q177 HydrophobicContact CE1-CG 4.23Å; Y147-Q177 HydrophobicContact CE2-CB 4.21Å; Y147-Q177 HydrophobicContact CE2-CG 4.12Å; Y147-Q177 HydrophobicContact CG-CB 3.76Å; Y147-F180 HydrophobicContact CD2-CB 4.33Å; Y147-F180 AromaticContact CD2-CD1 3.84Å; Y147-F180 HydrophobicContact CD2-CD1 3.84Å; Y147-F180 HydrophobicContact CD2-CD2 4.2Å; Y147-F180 HydrophobicContact CD2-CE1 4.17Å; Y147-F180 HydrophobicContact CD2-CE2 4.49Å; Y147-F180 AromaticContact CD2-CG 3.87Å; Y147-F180 HydrophobicContact CD2-CG 3.87Å; Y147-F180 HydrophobicContact CD2-CZ 4.47Å; Y147-F180 HydrophobicContact CE2-CB 4.42Å; Y147-F180 HydrophobicContact CE2-CD1 4.35Å; Y147-F180 AromaticContact CE2-CD2 3.88Å; Y147-F180 HydrophobicContact CE2-CD2 3.88Å; Y147-F180 HydrophobicContact CE2-CE2 4.19Å; Y147-F180 AromaticContact CE2-CG 3.97Å; Y147-F180 HydrophobicContact CE2-CG 3.97Å |
| 148 | C | 89.4 | Confident | 90.9 | Very high | 57 Ų | 57 | 46.5 Ų | 46.5 | 39% | 0.385 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.6 | -51 | 174.5 | -61.1 | 0 | 0 | 0 | 0 | 111.4 | L146 R150 S151 D152 | L146-C148 VanDerWaalsContact C-N 3.3Å; L146-C148 PolarHBondContact O-N 2.79Å; C148-R150 VanDerWaalsContact C-N 3.25Å; C148-R150 PolarHBondContact O-N 3.3Å; C148-S151 WeakPolarHBondContact O-CA 3.35Å; C148-S151 WeakPolarHBondContact O-CB 3.42Å; C148-S151 PolarHBondContact O-N 2.79Å; C148-D152 PolarHBondContact O-N 3.24Å |
| 149 | V | 90.9 | Very high | 90.6 | Very high | 11 Ų | 11 | 48.7 Ų | 48.7 | 7% | 0.067 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.1 | -38.5 | 177.9 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | I117 Y136 A139 L140 L146 D152 L153 | I117-V149 HydrophobicContact CD1-CG2 3.61Å; I117-V149 HydrophobicContact CG1-CG1 4.48Å; I117-V149 HydrophobicContact CG1-CG2 3.93Å; Y136-V149 HydrophobicContact CD1-CG1 3.49Å; Y136-V149 VanDerWaalsContact CD1-CG1 3.49Å; Y136-V149 HydrophobicContact CE1-CG1 4.09Å; Y136-V149 HydrophobicContact CG-CG1 4.24Å; A139-V149 HydrophobicContact CB-CG1 4.41Å; L140-V149 HydrophobicContact CD2-CB 4.34Å; L140-V149 HydrophobicContact CD2-CG1 4.34Å; L140-V149 HydrophobicContact CG-CG1 4.21Å; L146-V149 HydrophobicContact CB-CB 3.97Å; L146-V149 HydrophobicContact CB-CG2 3.94Å; L146-V149 HydrophobicContact CD1-CG2 4.28Å; L146-V149 PolarHBondContact O-N 3.35Å; V149-D152 PolarHBondContact O-N 3.18Å; V149-L153 WeakPolarHBondContact O-CB 3.45Å; V149-L153 PolarHBondContact O-N 3.11Å |
| 150 | R | 93.5 | Very high | 90.5 | Very high | 30 Ų | 30 | 51.4 Ų | 51.4 | 11% | 0.113 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.2 | -36.8 | 175.1 | -170.5 | 177.1 | -86.1 | 113.9 | 3.3 | 112.4 | L140 P144 L146 Y147 C148 G154 C169 A173 | L140-R150 HydrophobicContact CD1-CB 4.05Å; L140-R150 HydrophobicContact CD1-CG 4.25Å; L140-R150 HydrophobicContact CD2-CB 4.04Å; P144-R150 PolarHBondContact O-NH1 3.03Å; P144-R150 PolarHBondContact O-NH2 2.81Å; P144-R150 VanDerWaalsContact O-NH2 3.11Å; L146-R150 PolarHBondContact O-N 2.93Å; Y147-R150 PolarHBondContact O-N 3.14Å; C148-R150 VanDerWaalsContact C-N 3.25Å; C148-R150 PolarHBondContact O-N 3.3Å; R150-G154 PolarHBondContact O-N 3.11Å; R150-C169 VanDerWaalsContact CD-O 3.28Å; R150-C169 WeakPolarHBondContact CD-O 3.34Å; R150-C169 HydrophobicContact CG-CB 4.04Å; R150-C169 WeakPolarHBondContact CG-O 3.36Å; R150-C169 WeakPolarHBondContact O-CB 3.44Å; R150-A173 HydrophobicContact CB-CB 4.39Å; R150-A173 HydrophobicContact CG-CB 4.45Å |
| 151 | S | 91.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.007 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.1 | -40.4 | 173.9 | -162 | 0 | 0 | 0 | 0 | 112.1 | Y147 C148 G154 N155 Y170 | Y147-S151 PolarHBondContact O-N 2.74Å; C148-S151 WeakPolarHBondContact O-CA 3.35Å; C148-S151 WeakPolarHBondContact O-CB 3.42Å; C148-S151 PolarHBondContact O-N 2.79Å; S151-G154 CarbonylContact O-C 3.14Å; S151-G154 WeakPolarHBondContact O-CA 3.35Å; S151-G154 PolarHBondContact O-N 3Å; S151-G154 VanDerWaalsContact O-N 3.09Å; S151-N155 VanDerWaalsContact O-CG 3.32Å; S151-N155 PolarHBondContact O-N 2.86Å; S151-N155 PolarHBondContact O-ND2 2.79Å; S151-Y170 WeakPolarHBondContact O-CE1 3.19Å |
| 152 | D | 91 | Very high | 90.2 | Very high | 73 Ų | 73 | 50.1 Ų | 50.1 | 39% | 0.39 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.7 | -39.6 | 176 | -66.9 | -29.5 | 0 | 0 | 0 | 112 | Y136 C148 V149 G154 N155 L156 | Y136-D152 HydrophobicContact CE2-CB 4.43Å; C148-D152 PolarHBondContact O-N 3.24Å; V149-D152 PolarHBondContact O-N 3.18Å; D152-G154 VanDerWaalsContact C-N 3.33Å; D152-G154 PolarHBondContact O-N 3.11Å; D152-N155 WeakPolarHBondContact O-CB 3.27Å; D152-N155 PolarHBondContact O-N 3.06Å; D152-L156 PolarHBondContact O-N 3.06Å |
| 153 | L | 93.3 | Very high | 90.2 | Very high | 8 Ų | 8 | 47.2 Ų | 47.2 | 4% | 0.042 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.2 | -43.8 | 169 | 175 | 59.9 | 0 | 0 | 0 | 111.5 | V133 Y136 V137 L140 V149 N155 L156 L157 | V133-L153 HydrophobicContact CB-CD1 4.26Å; V133-L153 HydrophobicContact CG1-CD1 4.02Å; V133-L153 HydrophobicContact CG2-CD1 4.12Å; Y136-L153 HydrophobicContact CD2-CB 4.33Å; Y136-L153 HydrophobicContact CD2-CD1 4.49Å; Y136-L153 HydrophobicContact CG-CB 4.43Å; V137-L153 HydrophobicContact CG2-CD2 3.93Å; L140-L153 HydrophobicContact CD1-CD2 3.79Å; V149-L153 WeakPolarHBondContact O-CB 3.45Å; V149-L153 PolarHBondContact O-N 3.11Å; L153-N155 VanDerWaalsContact C-N 3.33Å; L153-N155 PolarHBondContact O-N 3.23Å; L153-L156 PolarHBondContact O-N 3.23Å; L153-L157 HydrophobicContact CD1-CD1 3.99Å; L153-L157 HydrophobicContact CD1-CG 4.11Å; L153-L157 HydrophobicContact CG-CD1 3.89Å; L153-L157 HydrophobicContact CG-CG 4.46Å; L153-L157 VanDerWaalsContact O-CG 3.31Å; L153-L157 WeakPolarHBondContact O-CG 3.32Å; L153-L157 PolarHBondContact O-N 3.01Å |
| 154 | G | 92.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.1 | -42.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | R150 S151 D152 L156 L157 K158 A166 Y170 | R150-G154 PolarHBondContact O-N 3.11Å; S151-G154 CarbonylContact O-C 3.14Å; S151-G154 WeakPolarHBondContact O-CA 3.35Å; S151-G154 PolarHBondContact O-N 3Å; S151-G154 VanDerWaalsContact O-N 3.09Å; D152-G154 VanDerWaalsContact C-N 3.33Å; D152-G154 PolarHBondContact O-N 3.11Å; G154-L156 VanDerWaalsContact C-N 3.34Å; G154-L156 PolarHBondContact O-N 3.17Å; G154-L157 PolarHBondContact O-N 3.43Å; G154-K158 WeakPolarHBondContact O-CB 3.37Å; G154-K158 PolarHBondContact O-N 3.12Å; G154-A166 VanDerWaalsContact O-CB 3.3Å; G154-A166 WeakPolarHBondContact O-CB 3.45Å; G154-Y170 VanDerWaalsContact C-CZ 3.45Å; G154-Y170 PolarHBondContact O-OH 3.29Å |
| 155 | N | 91.1 | Very high | 90.5 | Very high | 52 Ų | 52 | 51.2 Ų | 51.2 | 28% | 0.278 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 177.1 | -66 | -23.6 | 0 | 0 | 0 | 111.7 | S151 D152 L153 K158 A159 Y170 N186 | S151-N155 VanDerWaalsContact O-CG 3.32Å; S151-N155 PolarHBondContact O-N 2.86Å; S151-N155 PolarHBondContact O-ND2 2.79Å; D152-N155 WeakPolarHBondContact O-CB 3.27Å; D152-N155 PolarHBondContact O-N 3.06Å; L153-N155 VanDerWaalsContact C-N 3.33Å; L153-N155 PolarHBondContact O-N 3.23Å; N155-K158 PolarHBondContact O-N 2.56Å; N155-A159 PolarHBondContact O-N 3.07Å; N155-Y170 VanDerWaalsContact CA-OH 3.24Å; N155-Y170 WeakPolarHBondContact CA-OH 3.32Å; N155-Y170 PolarHBondContact N-OH 2.91Å; N155-Y170 VanDerWaalsContact N-OH 3.11Å; N155-Y170 WeakPolarHBondContact OD1-CE1 3.4Å; N155-Y170 PolarHBondContact OD1-OH 3.45Å; N155-N186 PolarHBondContact OD1-ND2 2.91Å |
| 156 | L | 91.4 | Very high | 90.7 | Very high | 14 Ų | 14 | 46 Ų | 46 | 7% | 0.073 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.2 | -44.7 | 177.1 | -175.5 | 61.2 | 0 | 0 | 0 | 112 | V124 M129 A132 V133 Y136 D152 L153 G154 K158 A159 L160 | V124-L156 HydrophobicContact CG2-CD1 4.07Å; V124-L156 HydrophobicContact CG2-CD2 4.2Å; M129-L156 HydrophobicContact CB-CD1 4.07Å; M129-L156 HydrophobicContact CG-CD1 4.14Å; M129-L156 HydrophobicContact SD-CD1 4.48Å; A132-L156 HydrophobicContact CB-CD2 3.64Å; V133-L156 HydrophobicContact CB-CD2 4.49Å; V133-L156 HydrophobicContact CG2-CD2 3.61Å; V133-L156 HydrophobicContact CG2-CG 3.99Å; Y136-L156 HydrophobicContact CD2-CD2 4.27Å; Y136-L156 HydrophobicContact CE2-CD2 4.38Å; D152-L156 PolarHBondContact O-N 3.06Å; L153-L156 PolarHBondContact O-N 3.23Å; G154-L156 VanDerWaalsContact C-N 3.34Å; G154-L156 PolarHBondContact O-N 3.17Å; L156-K158 VanDerWaalsContact C-N 3.34Å; L156-K158 PolarHBondContact O-N 3.09Å; L156-A159 WeakPolarHBondContact O-CB 3.22Å; L156-A159 PolarHBondContact O-N 3.46Å; L156-L160 WeakPolarHBondContact O-CG 3.46Å; L156-L160 PolarHBondContact O-N 3.21Å; L156-L160 VanDerWaalsContact O-N 3.07Å |
| 157 | L | 91.8 | Very high | 90.8 | Very high | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.8 | -38.5 | 177.1 | -71.6 | 166.8 | 0 | 0 | 0 | 112.4 | V133 L153 G154 L160 G161 R162 E165 A166 | V133-L157 HydrophobicContact CG1-CD2 4.4Å; V133-L157 HydrophobicContact CG2-CD2 4.1Å; L153-L157 HydrophobicContact CD1-CD1 3.99Å; L153-L157 HydrophobicContact CD1-CG 4.11Å; L153-L157 HydrophobicContact CG-CD1 3.89Å; L153-L157 HydrophobicContact CG-CG 4.46Å; L153-L157 VanDerWaalsContact O-CG 3.31Å; L153-L157 WeakPolarHBondContact O-CG 3.32Å; L153-L157 PolarHBondContact O-N 3.01Å; G154-L157 PolarHBondContact O-N 3.43Å; L157-L160 CarbonylContact O-C 3.18Å; L157-L160 PolarHBondContact O-N 2.79Å; L157-G161 PolarHBondContact O-N 3.15Å; L157-R162 HydrophobicContact CB-CB 4.38Å; L157-R162 HydrophobicContact CD2-CB 4.25Å; L157-R162 PolarHBondContact O-N 3.11Å; L157-E165 HydrophobicContact CD1-CB 3.92Å; L157-E165 HydrophobicContact CD2-CB 4.4Å; L157-A166 HydrophobicContact CB-CB 3.95Å |
| 158 | K | 89.3 | Confident | 91 | Very high | 77 Ų | 77 | 45 Ų | 45 | 34% | 0.335 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.6 | -44 | 173.1 | 174.2 | -173.8 | 152.6 | -167.9 | 0 | 111 | G154 N155 L156 L160 G161 L163 A166 V190 | G154-K158 WeakPolarHBondContact O-CB 3.37Å; G154-K158 PolarHBondContact O-N 3.12Å; N155-K158 PolarHBondContact O-N 2.56Å; L156-K158 VanDerWaalsContact C-N 3.34Å; L156-K158 PolarHBondContact O-N 3.09Å; K158-L160 PolarHBondContact O-N 3.29Å; K158-G161 PolarHBondContact O-N 2.76Å; K158-L163 HydrophobicContact CG-CD2 4.23Å; K158-A166 HydrophobicContact CB-CB 3.98Å; K158-V190 HydrophobicContact CD-CG2 4.42Å |
| 159 | A | 87 | Confident | 91.1 | Very high | 76 Ų | 76 | 43.2 Ų | 43.2 | 63% | 0.628 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -62.9 | -30.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N155 L156 G161 | N155-A159 PolarHBondContact O-N 3.07Å; L156-A159 WeakPolarHBondContact O-CB 3.22Å; L156-A159 PolarHBondContact O-N 3.46Å; A159-G161 VanDerWaalsContact C-N 3.27Å; A159-G161 PolarHBondContact O-N 3.23Å |
| 160 | L | 88.6 | Confident | 91.3 | Very high | 58 Ų | 58 | 42.7 Ų | 42.7 | 30% | 0.304 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -0.2 | 172.7 | -69.8 | 171.6 | 0 | 0 | 0 | 114.3 | M129 V133 L156 L157 K158 R162 | M129-L160 HydrophobicContact CB-CD1 4.2Å; M129-L160 HydrophobicContact CB-CD2 3.82Å; M129-L160 HydrophobicContact CB-CG 4.28Å; M129-L160 HydrophobicContact CG-CD2 4.39Å; M129-L160 HydrophobicContact SD-CD2 3.67Å; M129-L160 HydrophobicContact SD-CG 4.25Å; V133-L160 HydrophobicContact CG2-CD1 4.03Å; L156-L160 WeakPolarHBondContact O-CG 3.46Å; L156-L160 PolarHBondContact O-N 3.21Å; L156-L160 VanDerWaalsContact O-N 3.07Å; L157-L160 CarbonylContact O-C 3.18Å; L157-L160 PolarHBondContact O-N 2.79Å; K158-L160 PolarHBondContact O-N 3.29Å; L160-R162 VanDerWaalsContact C-N 3.26Å; L160-R162 HydrophobicContact CB-CG 4.4Å; L160-R162 PolarHBondContact O-N 3.33Å |
| 161 | G | 86.1 | Confident | 91.3 | Very high | 55 Ų | 55 | 45.3 Ų | 45.3 | 57% | 0.567 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 5.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | L157 K158 A159 L163 | L157-G161 PolarHBondContact O-N 3.15Å; K158-G161 PolarHBondContact O-N 2.76Å; A159-G161 VanDerWaalsContact C-N 3.27Å; A159-G161 PolarHBondContact O-N 3.23Å; G161-L163 PolarHBondContact O-N 3Å |
| 162 | R | 91.6 | Very high | 91.3 | Very high | 73 Ų | 73 | 49.2 Ų | 49.2 | 28% | 0.275 | 27% | 0.273 | S | S | . | . | trans | -83.7 | 63.1 | 179.3 | -65.5 | 165.8 | 67.6 | 175.7 | -3.4 | 110.5 | E130 L157 L160 E164 E165 A166 | E130-R162 IonicContact OE1-NH1 3.17Å; E130-R162 PolarHBondContact OE1-NH1 3.31Å; E130-R162 IonicContact OE2-NH1 2.74Å; E130-R162 PolarHBondContact OE2-NH1 2.92Å; L157-R162 HydrophobicContact CB-CB 4.38Å; L157-R162 HydrophobicContact CD2-CB 4.25Å; L157-R162 PolarHBondContact O-N 3.11Å; L160-R162 VanDerWaalsContact C-N 3.26Å; L160-R162 HydrophobicContact CB-CG 4.4Å; L160-R162 PolarHBondContact O-N 3.33Å; R162-E164 PolarHBondContact O-N 2.95Å; R162-E165 HydrophobicContact CB-CB 4.43Å; R162-E165 IonicContact CZ-OE1 3.39Å; R162-E165 VanDerWaalsContact CZ-OE1 3.3Å; R162-E165 IonicContact CZ-OE2 2.79Å; R162-E165 IonicContact NE-OE1 3.1Å; R162-E165 PolarHBondContact NE-OE1 3Å; R162-E165 IonicContact NE-OE2 3.26Å; R162-E165 IonicContact NH2-OE1 2.8Å; R162-E165 PolarHBondContact NH2-OE1 3.01Å; R162-E165 IonicContact NH2-OE2 3.63Å; R162-E165 PolarHBondContact NH2-OE2 3.39Å; R162-E165 PolarHBondContact O-N 3.11Å; R162-A166 PolarHBondContact O-N 3.02Å | ||
| 163 | L | 89.2 | Confident | 91.3 | Very high | 49 Ų | 49 | 45.7 Ų | 45.7 | 26% | 0.257 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.6 | -39.3 | -168.8 | -64 | -178.8 | 0 | 0 | 0 | 114.2 | K158 G161 A166 K167 V190 A193 Q194 | K158-L163 HydrophobicContact CG-CD2 4.23Å; G161-L163 PolarHBondContact O-N 3Å; L163-A166 PolarHBondContact O-N 3.44Å; L163-K167 WeakPolarHBondContact O-CB 3.32Å; L163-K167 PolarHBondContact O-N 2.75Å; L163-V190 HydrophobicContact CB-CG1 4.29Å; L163-A193 HydrophobicContact CD1-CB 4.27Å; L163-Q194 HydrophobicContact CD1-CG 4.35Å |
| 164 | E | 90 | Very high | 91.3 | Very high | 114 Ų | 114 | 46.1 Ų | 46.1 | 53% | 0.533 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.4 | -36.3 | 178.9 | -72.4 | -56.7 | 136.6 | 0 | 0 | 112.6 | R162 K167 A168 Q194 | R162-E164 PolarHBondContact O-N 2.95Å; E164-K167 WeakPolarHBondContact O-CB 3.3Å; E164-K167 PolarHBondContact O-N 3.43Å; E164-A168 PolarHBondContact O-N 2.94Å; E164-Q194 PolarHBondContact OE1-NE2 3.29Å |
| 165 | E | 92.1 | Very high | 91.3 | Very high | 89 Ų | 89 | 52.2 Ų | 52.2 | 42% | 0.416 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -73.8 | -38.1 | 177.1 | -62.6 | -179 | -105 | 0 | 0 | 111.4 | L157 R162 K167 A168 C169 | L157-E165 HydrophobicContact CD1-CB 3.92Å; L157-E165 HydrophobicContact CD2-CB 4.4Å; R162-E165 HydrophobicContact CB-CB 4.43Å; R162-E165 IonicContact CZ-OE1 3.39Å; R162-E165 VanDerWaalsContact CZ-OE1 3.3Å; R162-E165 IonicContact CZ-OE2 2.79Å; R162-E165 IonicContact NE-OE1 3.1Å; R162-E165 PolarHBondContact NE-OE1 3Å; R162-E165 IonicContact NE-OE2 3.26Å; R162-E165 IonicContact NH2-OE1 2.8Å; R162-E165 PolarHBondContact NH2-OE1 3.01Å; R162-E165 IonicContact NH2-OE2 3.63Å; R162-E165 PolarHBondContact NH2-OE2 3.39Å; R162-E165 PolarHBondContact O-N 3.11Å; E165-K167 VanDerWaalsContact C-N 3.35Å; E165-A168 PolarHBondContact O-N 3.23Å; E165-C169 PolarHBondContact O-N 3.32Å; E165-C169 PolarHBondContact O-SG 3.03Å |
| 166 | A | 93 | Very high | 91.3 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | G154 L157 K158 R162 L163 A168 C169 Y170 | G154-A166 VanDerWaalsContact O-CB 3.3Å; G154-A166 WeakPolarHBondContact O-CB 3.45Å; L157-A166 HydrophobicContact CB-CB 3.95Å; K158-A166 HydrophobicContact CB-CB 3.98Å; R162-A166 PolarHBondContact O-N 3.02Å; L163-A166 PolarHBondContact O-N 3.44Å; A166-A168 PolarHBondContact O-N 2.98Å; A166-C169 WeakPolarHBondContact O-CB 3.47Å; A166-C169 PolarHBondContact O-N 3.31Å; A166-C169 VanDerWaalsContact O-N 3.16Å; A166-Y170 HydrophobicContact CB-CE2 4.05Å; A166-Y170 WeakPolarHBondContact O-CD2 3.32Å; A166-Y170 PolarHBondContact O-N 3.17Å |
| 167 | K | 93 | Very high | 91.3 | Very high | 46 Ų | 46 | 54.6 Ų | 54.6 | 20% | 0.2 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57 | -47.6 | 175 | -179 | 179.8 | 179.2 | 178.4 | 0 | 112 | L163 E164 E165 C169 Y170 L171 L187 V190 | L163-K167 WeakPolarHBondContact O-CB 3.32Å; L163-K167 PolarHBondContact O-N 2.75Å; E164-K167 WeakPolarHBondContact O-CB 3.3Å; E164-K167 PolarHBondContact O-N 3.43Å; E165-K167 VanDerWaalsContact C-N 3.35Å; K167-C169 VanDerWaalsContact C-N 3.29Å; K167-C169 PolarHBondContact O-N 3Å; K167-Y170 PolarHBondContact O-N 3.25Å; K167-L171 HydrophobicContact CG-CD1 4.05Å; K167-L171 WeakPolarHBondContact O-CB 3.46Å; K167-L171 WeakPolarHBondContact O-CG 3.47Å; K167-L171 PolarHBondContact O-N 3.37Å; K167-L187 HydrophobicContact CB-CD1 4.47Å; K167-L187 HydrophobicContact CG-CD1 3.85Å; K167-V190 HydrophobicContact CB-CG1 4.23Å |
| 168 | A | 92.9 | Very high | 91.3 | Very high | 58 Ų | 58 | 57.9 Ų | 57.9 | 48% | 0.479 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.6 | -40.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | E164 E165 A166 K172 | E164-A168 PolarHBondContact O-N 2.94Å; E165-A168 PolarHBondContact O-N 3.23Å; A166-A168 PolarHBondContact O-N 2.98Å; A168-K172 WeakPolarHBondContact O-CB 3.2Å; A168-K172 PolarHBondContact O-N 3.34Å |
| 169 | C | 93.2 | Very high | 91.4 | Very high | 18 Ų | 18 | 59.6 Ų | 59.6 | 12% | 0.122 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.1 | -47.6 | 176.1 | -68.1 | 0 | 0 | 0 | 0 | 112.1 | R150 E165 A166 K167 K172 A173 | R150-C169 VanDerWaalsContact CD-O 3.28Å; R150-C169 WeakPolarHBondContact CD-O 3.34Å; R150-C169 HydrophobicContact CG-CB 4.04Å; R150-C169 WeakPolarHBondContact CG-O 3.36Å; R150-C169 WeakPolarHBondContact O-CB 3.44Å; E165-C169 PolarHBondContact O-N 3.32Å; E165-C169 PolarHBondContact O-SG 3.03Å; A166-C169 WeakPolarHBondContact O-CB 3.47Å; A166-C169 PolarHBondContact O-N 3.31Å; A166-C169 VanDerWaalsContact O-N 3.16Å; K167-C169 VanDerWaalsContact C-N 3.29Å; K167-C169 PolarHBondContact O-N 3Å; C169-K172 PolarHBondContact O-N 3.04Å; C169-A173 WeakPolarHBondContact O-CB 3.1Å; C169-A173 PolarHBondContact O-N 3.25Å |
| 170 | Y | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.5 | -43 | 178.9 | -58.8 | -47.8 | 0 | 0 | 0 | 112.8 | S151 G154 N155 A166 K167 K172 A173 I174 N186 L187 V190 | S151-Y170 WeakPolarHBondContact O-CE1 3.19Å; G154-Y170 VanDerWaalsContact C-CZ 3.45Å; G154-Y170 PolarHBondContact O-OH 3.29Å; N155-Y170 VanDerWaalsContact CA-OH 3.24Å; N155-Y170 WeakPolarHBondContact CA-OH 3.32Å; N155-Y170 PolarHBondContact N-OH 2.91Å; N155-Y170 VanDerWaalsContact N-OH 3.11Å; N155-Y170 WeakPolarHBondContact OD1-CE1 3.4Å; N155-Y170 PolarHBondContact OD1-OH 3.45Å; A166-Y170 HydrophobicContact CB-CE2 4.05Å; A166-Y170 WeakPolarHBondContact O-CD2 3.32Å; A166-Y170 PolarHBondContact O-N 3.17Å; K167-Y170 PolarHBondContact O-N 3.25Å; Y170-K172 VanDerWaalsContact C-N 3.31Å; Y170-K172 PolarHBondContact O-N 3.4Å; Y170-A173 PolarHBondContact O-N 3.05Å; Y170-I174 VanDerWaalsContact O-CG1 3.3Å; Y170-I174 WeakPolarHBondContact O-CG1 3.39Å; Y170-I174 PolarHBondContact O-N 2.76Å; Y170-N186 HydrophobicContact CD1-CB 3.96Å; Y170-N186 HydrophobicContact CD2-CB 4.33Å; Y170-N186 HydrophobicContact CE1-CB 3.52Å; Y170-N186 HydrophobicContact CE2-CB 3.95Å; Y170-N186 HydrophobicContact CG-CB 4.33Å; Y170-L187 HydrophobicContact CD2-CB 4.47Å; Y170-V190 HydrophobicContact CD2-CG2 4.1Å; Y170-V190 HydrophobicContact CE2-CG2 3.7Å |
| 171 | L | 93.4 | Very high | 91.9 | Very high | 85 Ų | 85 | 55.5 Ų | 55.5 | 45% | 0.445 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58.9 | -44.4 | 176.4 | -75.6 | 171.9 | 0 | 0 | 0 | 111.3 | K167 I174 E175 L187 | K167-L171 HydrophobicContact CG-CD1 4.05Å; K167-L171 WeakPolarHBondContact O-CB 3.46Å; K167-L171 WeakPolarHBondContact O-CG 3.47Å; K167-L171 PolarHBondContact O-N 3.37Å; L171-I174 PolarHBondContact O-N 3.24Å; L171-E175 PolarHBondContact O-N 3.42Å; L171-L187 HydrophobicContact CD2-CD2 3.73Å; L171-L187 HydrophobicContact CG-CD1 4.47Å; L171-L187 HydrophobicContact CG-CD2 4.29Å |
| 172 | K | 91.5 | Very high | 92.2 | Very high | 83 Ų | 83 | 55.5 Ų | 55.5 | 36% | 0.361 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -72.2 | -30.6 | 179.4 | -172.4 | 66.1 | 178.7 | -177.1 | 0 | 112.4 | A168 C169 Y170 E175 T176 | A168-K172 WeakPolarHBondContact O-CB 3.2Å; A168-K172 PolarHBondContact O-N 3.34Å; C169-K172 PolarHBondContact O-N 3.04Å; Y170-K172 VanDerWaalsContact C-N 3.31Å; Y170-K172 PolarHBondContact O-N 3.4Å; K172-E175 HydrophobicContact CD-CB 4.4Å; K172-E175 WeakPolarHBondContact CD-OE2 3.47Å; K172-E175 WeakPolarHBondContact CE-OE2 3.37Å; K172-E175 IonicContact NZ-OE1 3.88Å; K172-E175 PolarHBondContact NZ-OE1 2.88Å; K172-E175 IonicContact NZ-OE2 3.19Å; K172-E175 PolarHBondContact NZ-OE2 3.47Å; K172-E175 PolarHBondContact O-N 3.01Å; K172-T176 PolarHBondContact O-N 3.18Å; K172-T176 VanDerWaalsContact O-N 3.12Å; K172-T176 PolarHBondContact O-OG1 3.03Å; K172-T176 VanDerWaalsContact O-OG1 3.13Å |
| 173 | A | 91.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.9 | -39.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R150 C169 Y170 T176 Q177 A183 | R150-A173 HydrophobicContact CB-CB 4.39Å; R150-A173 HydrophobicContact CG-CB 4.45Å; C169-A173 WeakPolarHBondContact O-CB 3.1Å; C169-A173 PolarHBondContact O-N 3.25Å; Y170-A173 PolarHBondContact O-N 3.05Å; A173-T176 PolarHBondContact O-N 3.43Å; A173-Q177 PolarHBondContact O-N 3.09Å; A173-A183 HydrophobicContact CB-CB 4.25Å |
| 174 | I | 93.3 | Very high | 92.5 | Very high | 16 Ų | 16 | 51.8 Ų | 51.8 | 8% | 0.082 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.3 | -39.6 | 174.4 | -68.7 | 164.1 | 0 | 0 | 0 | 111.3 | Y170 L171 T176 Q177 P178 A183 W184 L187 | Y170-I174 VanDerWaalsContact O-CG1 3.3Å; Y170-I174 WeakPolarHBondContact O-CG1 3.39Å; Y170-I174 PolarHBondContact O-N 2.76Å; L171-I174 PolarHBondContact O-N 3.24Å; I174-T176 VanDerWaalsContact C-N 3.32Å; I174-T176 PolarHBondContact O-N 3.32Å; I174-Q177 CarbonylContact O-C 3.59Å; I174-Q177 PolarHBondContact O-N 3.05Å; I174-P178 VanDerWaalsContact O-CA 3.24Å; I174-P178 WeakPolarHBondContact O-CA 3.33Å; I174-P178 WeakPolarHBondContact O-CD 3.34Å; I174-P178 VanDerWaalsContact O-N 3.07Å; I174-A183 HydrophobicContact CD1-CB 4.3Å; I174-A183 HydrophobicContact CG1-CB 3.77Å; I174-W184 HydrophobicContact CD1-CD2 3.8Å; I174-W184 HydrophobicContact CD1-CE3 4.2Å; I174-W184 HydrophobicContact CD1-CG 4.07Å; I174-W184 HydrophobicContact CD1-CZ2 4.38Å; I174-W184 HydrophobicContact CG1-CD2 4.32Å; I174-W184 HydrophobicContact CG1-CG 4.37Å; I174-W184 HydrophobicContact CG2-CH2 4.07Å; I174-W184 HydrophobicContact CG2-CZ2 3.3Å; I174-L187 HydrophobicContact CD1-CD2 3.82Å |
| 175 | E | 92.8 | Very high | 92.7 | Very high | 129 Ų | 129 | 46.5 Ų | 46.5 | 60% | 0.603 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -60.9 | -41.7 | 176.2 | -167.7 | -169.4 | 149.8 | 0 | 0 | 111.4 | L171 K172 | L171-E175 PolarHBondContact O-N 3.42Å; K172-E175 HydrophobicContact CD-CB 4.4Å; K172-E175 WeakPolarHBondContact CD-OE2 3.47Å; K172-E175 WeakPolarHBondContact CE-OE2 3.37Å; K172-E175 IonicContact NZ-OE1 3.88Å; K172-E175 PolarHBondContact NZ-OE1 2.88Å; K172-E175 IonicContact NZ-OE2 3.19Å; K172-E175 PolarHBondContact NZ-OE2 3.47Å; K172-E175 PolarHBondContact O-N 3.01Å |
| 176 | T | 90.4 | Very high | 92.7 | Very high | 43 Ų | 43 | 43.3 Ų | 43.3 | 26% | 0.264 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -70.9 | -43.4 | 176.2 | -56.9 | 0 | 0 | 0 | 0 | 112.2 | D145 Y147 K172 A173 I174 | D145-T176 HydrophobicContact CB-CG2 4.26Å; D145-T176 WeakPolarHBondContact O-CG2 3.36Å; Y147-T176 HydrophobicContact CD1-CG2 4.41Å; K172-T176 PolarHBondContact O-N 3.18Å; K172-T176 VanDerWaalsContact O-N 3.12Å; K172-T176 PolarHBondContact O-OG1 3.03Å; K172-T176 VanDerWaalsContact O-OG1 3.13Å; A173-T176 PolarHBondContact O-N 3.43Å; I174-T176 VanDerWaalsContact C-N 3.32Å; I174-T176 PolarHBondContact O-N 3.32Å |
| 177 | Q | 92.6 | Very high | 92.7 | Very high | 72 Ų | 72 | 43.4 Ų | 43.4 | 34% | 0.336 | 23% | 0.232 | S | C | . | . | trans | -135.5 | 92.1 | 179.8 | -174.7 | 60.7 | 38.3 | 0 | 0 | 111.3 | Y147 A173 I174 N179 F180 | Y147-Q177 HydrophobicContact CD1-CB 3.83Å; Y147-Q177 HydrophobicContact CD1-CG 4.46Å; Y147-Q177 HydrophobicContact CD2-CB 3.95Å; Y147-Q177 HydrophobicContact CD2-CG 4.35Å; Y147-Q177 HydrophobicContact CE1-CB 4.1Å; Y147-Q177 HydrophobicContact CE1-CG 4.23Å; Y147-Q177 HydrophobicContact CE2-CB 4.21Å; Y147-Q177 HydrophobicContact CE2-CG 4.12Å; Y147-Q177 HydrophobicContact CG-CB 3.76Å; A173-Q177 PolarHBondContact O-N 3.09Å; I174-Q177 CarbonylContact O-C 3.59Å; I174-Q177 PolarHBondContact O-N 3.05Å; Q177-N179 VanDerWaalsContact C-N 3.26Å; Q177-N179 PolarHBondContact O-N 2.98Å; Q177-N179 VanDerWaalsContact O-N 3.16Å; Q177-F180 HydrophobicContact CB-CB 4.26Å; Q177-F180 HydrophobicContact CG-CB 4.02Å; Q177-F180 VanDerWaalsContact O-CB 3.32Å; Q177-F180 WeakPolarHBondContact O-CB 3.21Å; Q177-F180 PolarHBondContact O-N 3.38Å; Q177-F180 VanDerWaalsContact O-N 3.14Å | ||
| 178 | P | 91.9 | Very high | 92.7 | Very high | 74 Ų | 74 | 41.2 Ų | 41.2 | 48% | 0.481 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -27.4 | -174.7 | -28.6 | 36.2 | 0 | 0 | 0 | 115.2 | I174 F180 W184 | I174-P178 VanDerWaalsContact O-CA 3.24Å; I174-P178 WeakPolarHBondContact O-CA 3.33Å; I174-P178 WeakPolarHBondContact O-CD 3.34Å; I174-P178 VanDerWaalsContact O-N 3.07Å; P178-F180 VanDerWaalsContact C-N 3.27Å; P178-F180 PolarHBondContact O-N 2.75Å; P178-W184 PolarHBondContact O-NE1 2.88Å |
| 179 | N | 91.5 | Very high | 92.7 | Very high | 114 Ų | 114 | 39.5 Ų | 39.5 | 61% | 0.61 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 7.4 | -178.8 | -64.7 | -11.7 | 0 | 0 | 0 | 113.7 | Q177 A181 L210 | Q177-N179 VanDerWaalsContact C-N 3.26Å; Q177-N179 PolarHBondContact O-N 2.98Å; Q177-N179 VanDerWaalsContact O-N 3.16Å; N179-A181 PolarHBondContact O-N 2.89Å; N179-L210 HydrophobicContact CB-CD2 4.34Å |
| 180 | F | 92.7 | Very high | 92.7 | Very high | 39 Ų | 39 | 38.6 Ų | 38.6 | 17% | 0.171 | 20% | 0.201 | C | C | . | . | trans | -81.3 | 86.9 | -177.1 | -175.2 | -131 | 0 | 0 | 0 | 111.9 | Y147 Q177 P178 V182 A183 | Y147-F180 HydrophobicContact CD2-CB 4.33Å; Y147-F180 AromaticContact CD2-CD1 3.84Å; Y147-F180 HydrophobicContact CD2-CD1 3.84Å; Y147-F180 HydrophobicContact CD2-CD2 4.2Å; Y147-F180 HydrophobicContact CD2-CE1 4.17Å; Y147-F180 HydrophobicContact CD2-CE2 4.49Å; Y147-F180 AromaticContact CD2-CG 3.87Å; Y147-F180 HydrophobicContact CD2-CG 3.87Å; Y147-F180 HydrophobicContact CD2-CZ 4.47Å; Y147-F180 HydrophobicContact CE2-CB 4.42Å; Y147-F180 HydrophobicContact CE2-CD1 4.35Å; Y147-F180 AromaticContact CE2-CD2 3.88Å; Y147-F180 HydrophobicContact CE2-CD2 3.88Å; Y147-F180 HydrophobicContact CE2-CE2 4.19Å; Y147-F180 AromaticContact CE2-CG 3.97Å; Y147-F180 HydrophobicContact CE2-CG 3.97Å; Q177-F180 HydrophobicContact CB-CB 4.26Å; Q177-F180 HydrophobicContact CG-CB 4.02Å; Q177-F180 VanDerWaalsContact O-CB 3.32Å; Q177-F180 WeakPolarHBondContact O-CB 3.21Å; Q177-F180 PolarHBondContact O-N 3.38Å; Q177-F180 VanDerWaalsContact O-N 3.14Å; P178-F180 VanDerWaalsContact C-N 3.27Å; P178-F180 PolarHBondContact O-N 2.75Å; F180-V182 HydrophobicContact CD2-CB 4.42Å; F180-V182 HydrophobicContact CE1-CB 4.12Å; F180-V182 HydrophobicContact CE2-CB 3.82Å; F180-V182 HydrophobicContact CE2-CG2 4.08Å; F180-V182 HydrophobicContact CZ-CB 3.65Å; F180-V182 HydrophobicContact CZ-CG1 4.1Å; F180-V182 HydrophobicContact CZ-CG2 4.32Å; F180-V182 PolarHBondContact O-N 3.39Å; F180-V182 VanDerWaalsContact O-N 3.14Å; F180-A183 HydrophobicContact CD1-CB 3.42Å; F180-A183 VanDerWaalsContact CD1-CB 3.42Å; F180-A183 HydrophobicContact CE1-CB 3.81Å; F180-A183 HydrophobicContact CG-CB 4.41Å; F180-A183 PolarHBondContact O-N 3.37Å; F180-A183 VanDerWaalsContact O-N 3.15Å | ||
| 181 | A | 91.6 | Very high | 92.5 | Very high | 9 Ų | 9 | 39.3 Ų | 39.3 | 7% | 0.074 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -53.3 | -34.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | N179 A183 W184 S185 A207 L210 D211 F214 | N179-A181 PolarHBondContact O-N 2.89Å; A181-A183 PolarHBondContact O-N 3.03Å; A181-W184 WeakPolarHBondContact O-CB 3.49Å; A181-W184 PolarHBondContact O-N 3.18Å; A181-S185 PolarHBondContact O-N 3.49Å; A181-A207 WeakPolarHBondContact O-CB 3.18Å; A181-L210 HydrophobicContact CB-CB 3.93Å; A181-D211 HydrophobicContact CB-CB 3.74Å; A181-F214 HydrophobicContact CB-CD1 4.18Å |
| 182 | V | 93 | Very high | 92.4 | Very high | 55 Ų | 55 | 37.5 Ų | 37.5 | 33% | 0.333 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.4 | -43.6 | 179.6 | 177 | 0 | 0 | 0 | 0 | 111.9 | F180 W184 S185 N186 F214 | F180-V182 HydrophobicContact CD2-CB 4.42Å; F180-V182 HydrophobicContact CE1-CB 4.12Å; F180-V182 HydrophobicContact CE2-CB 3.82Å; F180-V182 HydrophobicContact CE2-CG2 4.08Å; F180-V182 HydrophobicContact CZ-CB 3.65Å; F180-V182 HydrophobicContact CZ-CG1 4.1Å; F180-V182 HydrophobicContact CZ-CG2 4.32Å; F180-V182 PolarHBondContact O-N 3.39Å; F180-V182 VanDerWaalsContact O-N 3.14Å; V182-W184 VanDerWaalsContact C-N 3.33Å; V182-W184 PolarHBondContact O-N 2.91Å; V182-S185 PolarHBondContact O-N 3.35Å; V182-N186 WeakPolarHBondContact CG1-ND2 3.37Å; V182-N186 WeakPolarHBondContact O-CB 3.5Å; V182-N186 VanDerWaalsContact O-CG 3.28Å; V182-N186 PolarHBondContact O-N 3.43Å; V182-N186 PolarHBondContact O-ND2 3.37Å; V182-F214 HydrophobicContact CG2-CE1 4.29Å; V182-F214 HydrophobicContact CG2-CZ 4.18Å |
| 183 | A | 91.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.8 | -34.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A173 I174 F180 A181 L187 | A173-A183 HydrophobicContact CB-CB 4.25Å; I174-A183 HydrophobicContact CD1-CB 4.3Å; I174-A183 HydrophobicContact CG1-CB 3.77Å; F180-A183 HydrophobicContact CD1-CB 3.42Å; F180-A183 VanDerWaalsContact CD1-CB 3.42Å; F180-A183 HydrophobicContact CE1-CB 3.81Å; F180-A183 HydrophobicContact CG-CB 4.41Å; F180-A183 PolarHBondContact O-N 3.37Å; F180-A183 VanDerWaalsContact O-N 3.15Å; A181-A183 PolarHBondContact O-N 3.03Å; A183-L187 VanDerWaalsContact O-CB 3.23Å; A183-L187 WeakPolarHBondContact O-CB 3.49Å; A183-L187 PolarHBondContact O-N 3.44Å |
| 184 | W | 95 | Very high | 91.9 | Very high | 44 Ų | 44 | 39.9 Ų | 39.9 | 17% | 0.167 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64 | -45.4 | 173.5 | -72.8 | 98 | 0 | 0 | 0 | 112 | I174 P178 A181 V182 L187 G188 H203 K206 A207 L210 | I174-W184 HydrophobicContact CD1-CD2 3.8Å; I174-W184 HydrophobicContact CD1-CE3 4.2Å; I174-W184 HydrophobicContact CD1-CG 4.07Å; I174-W184 HydrophobicContact CD1-CZ2 4.38Å; I174-W184 HydrophobicContact CG1-CD2 4.32Å; I174-W184 HydrophobicContact CG1-CG 4.37Å; I174-W184 HydrophobicContact CG2-CH2 4.07Å; I174-W184 HydrophobicContact CG2-CZ2 3.3Å; P178-W184 PolarHBondContact O-NE1 2.88Å; A181-W184 WeakPolarHBondContact O-CB 3.49Å; A181-W184 PolarHBondContact O-N 3.18Å; V182-W184 VanDerWaalsContact C-N 3.33Å; V182-W184 PolarHBondContact O-N 2.91Å; W184-L187 PolarHBondContact O-N 3.16Å; W184-G188 PolarHBondContact O-N 3.31Å; W184-H203 HydrophobicContact CE3-CB 4.49Å; W184-H203 AromaticContact CE3-ND1 3.2Å; W184-H203 AromaticContact CZ3-CE1 3.64Å; W184-H203 AromaticContact CZ3-ND1 3.2Å; W184-H203 WeakPolarHBondContact CZ3-ND1 3.38Å; W184-K206 HydrophobicContact CD2-CB 4.08Å; W184-K206 HydrophobicContact CE3-CB 3.78Å; W184-K206 HydrophobicContact CE3-CG 4.24Å; W184-K206 HydrophobicContact CG-CB 4.46Å; W184-K206 HydrophobicContact CZ3-CB 4.28Å; W184-K206 HydrophobicContact CZ3-CG 4.24Å; W184-A207 HydrophobicContact CB-CB 3.93Å; W184-L210 VanDerWaalsContact CD1-CD1 3.41Å; W184-L210 HydrophobicContact CG-CD1 4.19Å |
| 185 | S | 94.3 | Very high | 91.5 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.014 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.7 | -44.9 | 176.8 | -175 | 0 | 0 | 0 | 0 | 111.9 | A181 V182 L187 G188 C189 F204 F214 | A181-S185 PolarHBondContact O-N 3.49Å; V182-S185 PolarHBondContact O-N 3.35Å; S185-L187 VanDerWaalsContact C-N 3.34Å; S185-L187 PolarHBondContact O-N 3.22Å; S185-G188 WeakPolarHBondContact O-CA 3.3Å; S185-G188 PolarHBondContact O-N 2.97Å; S185-G188 VanDerWaalsContact O-N 3.15Å; S185-C189 PolarHBondContact O-N 3.33Å; S185-C189 PolarHBondContact O-SG 3.45Å; S185-C189 VanDerWaalsContact O-SG 3.33Å; S185-F204 WeakPolarHBondContact O-CE1 3.47Å; S185-F214 VanDerWaalsContact CB-CE1 3.48Å |
| 186 | N | 93.3 | Very high | 91.5 | Very high | 23 Ų | 23 | 40.2 Ų | 40.2 | 12% | 0.123 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.8 | -37.6 | 178.3 | -71.7 | -24.7 | 0 | 0 | 0 | 112.5 | N155 Y170 V182 C189 V190 | N155-N186 PolarHBondContact OD1-ND2 2.91Å; Y170-N186 HydrophobicContact CD1-CB 3.96Å; Y170-N186 HydrophobicContact CD2-CB 4.33Å; Y170-N186 HydrophobicContact CE1-CB 3.52Å; Y170-N186 HydrophobicContact CE2-CB 3.95Å; Y170-N186 HydrophobicContact CG-CB 4.33Å; V182-N186 WeakPolarHBondContact CG1-ND2 3.37Å; V182-N186 WeakPolarHBondContact O-CB 3.5Å; V182-N186 VanDerWaalsContact O-CG 3.28Å; V182-N186 PolarHBondContact O-N 3.43Å; V182-N186 PolarHBondContact O-ND2 3.37Å; N186-C189 WeakPolarHBondContact O-CB 3.47Å; N186-C189 PolarHBondContact O-N 3.22Å; N186-V190 PolarHBondContact O-N 2.88Å |
| 187 | L | 93.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.6 | -40.4 | 172.3 | -176.8 | 60.3 | 0 | 0 | 0 | 111.8 | K167 Y170 L171 I174 A183 W184 S185 C189 V190 F191 | K167-L187 HydrophobicContact CB-CD1 4.47Å; K167-L187 HydrophobicContact CG-CD1 3.85Å; Y170-L187 HydrophobicContact CD2-CB 4.47Å; L171-L187 HydrophobicContact CD2-CD2 3.73Å; L171-L187 HydrophobicContact CG-CD1 4.47Å; L171-L187 HydrophobicContact CG-CD2 4.29Å; I174-L187 HydrophobicContact CD1-CD2 3.82Å; A183-L187 VanDerWaalsContact O-CB 3.23Å; A183-L187 WeakPolarHBondContact O-CB 3.49Å; A183-L187 PolarHBondContact O-N 3.44Å; W184-L187 PolarHBondContact O-N 3.16Å; S185-L187 VanDerWaalsContact C-N 3.34Å; S185-L187 PolarHBondContact O-N 3.22Å; L187-C189 VanDerWaalsContact C-N 3.28Å; L187-C189 PolarHBondContact O-N 2.86Å; L187-V190 PolarHBondContact O-N 3.49Å; L187-V190 VanDerWaalsContact O-N 3.13Å; L187-F191 HydrophobicContact CD1-CD2 4.1Å; L187-F191 HydrophobicContact CD1-CE2 3.64Å; L187-F191 HydrophobicContact CD1-CZ 4.39Å; L187-F191 HydrophobicContact CD2-CE2 4.11Å; L187-F191 HydrophobicContact CG-CD2 3.95Å; L187-F191 HydrophobicContact CG-CE2 3.63Å; L187-F191 VanDerWaalsContact O-CD2 3.3Å; L187-F191 WeakPolarHBondContact O-CD2 3.45Å; L187-F191 PolarHBondContact O-N 2.74Å |
| 188 | G | 93.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57 | -40.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | W184 S185 V190 F191 N192 A200 F204 | W184-G188 PolarHBondContact O-N 3.31Å; S185-G188 WeakPolarHBondContact O-CA 3.3Å; S185-G188 PolarHBondContact O-N 2.97Å; S185-G188 VanDerWaalsContact O-N 3.15Å; G188-V190 VanDerWaalsContact C-N 3.34Å; G188-V190 PolarHBondContact O-N 3.31Å; G188-F191 PolarHBondContact O-N 3.47Å; G188-N192 PolarHBondContact O-N 3.05Å; G188-A200 WeakPolarHBondContact O-CB 3.44Å; G188-F204 VanDerWaalsContact C-CZ 3.41Å |
| 189 | C | 92.3 | Very high | 91.5 | Very high | 22 Ų | 22 | 46 Ų | 46 | 15% | 0.149 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.4 | -37.1 | 175.6 | -63 | 0 | 0 | 0 | 0 | 112.7 | S185 N186 L187 N192 A193 F204 | S185-C189 PolarHBondContact O-N 3.33Å; S185-C189 PolarHBondContact O-SG 3.45Å; S185-C189 VanDerWaalsContact O-SG 3.33Å; N186-C189 WeakPolarHBondContact O-CB 3.47Å; N186-C189 PolarHBondContact O-N 3.22Å; L187-C189 VanDerWaalsContact C-N 3.28Å; L187-C189 PolarHBondContact O-N 2.86Å; C189-N192 PolarHBondContact O-N 3.2Å; C189-A193 PolarHBondContact O-N 3.38Å; C189-F204 HydrophobicContact CB-CZ 4.42Å |
| 190 | V | 92.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.4 | -46.7 | 176.6 | 175.3 | 0 | 0 | 0 | 0 | 110.5 | K158 L163 K167 Y170 N186 L187 G188 N192 A193 Q194 | K158-V190 HydrophobicContact CD-CG2 4.42Å; L163-V190 HydrophobicContact CB-CG1 4.29Å; K167-V190 HydrophobicContact CB-CG1 4.23Å; Y170-V190 HydrophobicContact CD2-CG2 4.1Å; Y170-V190 HydrophobicContact CE2-CG2 3.7Å; N186-V190 PolarHBondContact O-N 2.88Å; L187-V190 PolarHBondContact O-N 3.49Å; L187-V190 VanDerWaalsContact O-N 3.13Å; G188-V190 VanDerWaalsContact C-N 3.34Å; G188-V190 PolarHBondContact O-N 3.31Å; V190-N192 VanDerWaalsContact C-N 3.27Å; V190-N192 PolarHBondContact O-N 2.69Å; V190-A193 PolarHBondContact O-N 3.07Å; V190-Q194 WeakPolarHBondContact O-CG 3.44Å; V190-Q194 PolarHBondContact O-N 3.01Å |
| 191 | F | 91.8 | Very high | 91.7 | Very high | 15 Ų | 15 | 39 Ų | 39 | 7% | 0.066 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62 | -36.6 | 176.4 | -76.6 | -62.3 | 0 | 0 | 0 | 112.4 | L187 G188 Q194 G195 E196 L199 A200 H203 | L187-F191 HydrophobicContact CD1-CD2 4.1Å; L187-F191 HydrophobicContact CD1-CE2 3.64Å; L187-F191 HydrophobicContact CD1-CZ 4.39Å; L187-F191 HydrophobicContact CD2-CE2 4.11Å; L187-F191 HydrophobicContact CG-CD2 3.95Å; L187-F191 HydrophobicContact CG-CE2 3.63Å; L187-F191 VanDerWaalsContact O-CD2 3.3Å; L187-F191 WeakPolarHBondContact O-CD2 3.45Å; L187-F191 PolarHBondContact O-N 2.74Å; G188-F191 PolarHBondContact O-N 3.47Å; F191-Q194 PolarHBondContact O-N 3.36Å; F191-G195 PolarHBondContact O-N 3.38Å; F191-E196 HydrophobicContact CB-CB 4.19Å; F191-E196 HydrophobicContact CD1-CB 3.94Å; F191-E196 HydrophobicContact CD1-CG 4.34Å; F191-E196 PolarHBondContact O-N 2.92Å; F191-L199 HydrophobicContact CB-CB 4.15Å; F191-L199 HydrophobicContact CD1-CB 3.95Å; F191-L199 HydrophobicContact CD1-CD1 3.85Å; F191-L199 HydrophobicContact CD2-CB 4.16Å; F191-L199 HydrophobicContact CE1-CB 4.36Å; F191-L199 HydrophobicContact CE1-CD1 3.65Å; F191-L199 HydrophobicContact CG-CB 3.83Å; F191-L199 HydrophobicContact CZ-CD1 4.21Å; F191-A200 HydrophobicContact CB-CB 4.06Å; F191-H203 AromaticContact CD2-CD2 3.36Å; F191-H203 WeakPolarHBondContact CD2-CD2 3.37Å; F191-H203 AromaticContact CD2-NE2 3.77Å; F191-H203 AromaticContact CE2-CD2 3.39Å; F191-H203 WeakPolarHBondContact CE2-CD2 3.28Å; F191-H203 AromaticContact CE2-NE2 3.25Å; F191-H203 VanDerWaalsContact CE2-NE2 3.25Å; F191-H203 WeakPolarHBondContact CE2-NE2 3.43Å |
| 192 | N | 89.9 | Confident | 91.9 | Very high | 47 Ų | 47 | 42.7 Ų | 42.7 | 25% | 0.251 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.1 | -45.9 | 174 | -164.2 | 44.9 | 0 | 0 | 0 | 111.7 | G188 C189 V190 Q194 G195 A200 V224 | G188-N192 PolarHBondContact O-N 3.05Å; C189-N192 PolarHBondContact O-N 3.2Å; V190-N192 VanDerWaalsContact C-N 3.27Å; V190-N192 PolarHBondContact O-N 2.69Å; N192-Q194 PolarHBondContact O-N 3.35Å; N192-G195 PolarHBondContact O-N 3.29Å; N192-A200 HydrophobicContact CB-CB 3.98Å; N192-V224 HydrophobicContact CB-CG2 4.17Å; N192-V224 VanDerWaalsContact CG-CG2 3.48Å; N192-V224 WeakPolarHBondContact OD1-CG2 3.46Å |
| 193 | A | 86.4 | Confident | 91.9 | Very high | 70 Ų | 70 | 41 Ų | 41 | 58% | 0.579 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -63.4 | -24 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L163 C189 V190 | L163-A193 HydrophobicContact CD1-CB 4.27Å; C189-A193 PolarHBondContact O-N 3.38Å; V190-A193 PolarHBondContact O-N 3.07Å |
| 194 | Q | 87.6 | Confident | 92.2 | Very high | 62 Ų | 62 | 41.1 Ų | 41.1 | 29% | 0.29 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -5 | 174.9 | -68.3 | -177.5 | -29.4 | 0 | 0 | 113.5 | L163 E164 V190 F191 N192 E196 | L163-Q194 HydrophobicContact CD1-CG 4.35Å; E164-Q194 PolarHBondContact OE1-NE2 3.29Å; V190-Q194 WeakPolarHBondContact O-CG 3.44Å; V190-Q194 PolarHBondContact O-N 3.01Å; F191-Q194 PolarHBondContact O-N 3.36Å; N192-Q194 PolarHBondContact O-N 3.35Å; Q194-E196 VanDerWaalsContact C-N 3.3Å; Q194-E196 HydrophobicContact CB-CG 4.32Å |
| 195 | G | 85.2 | Confident | 92.2 | Very high | 51 Ų | 51 | 42.4 Ų | 42.4 | 53% | 0.526 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 7.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | F191 N192 I197 | F191-G195 PolarHBondContact O-N 3.38Å; N192-G195 PolarHBondContact O-N 3.29Å; G195-I197 VanDerWaalsContact C-N 3.25Å; G195-I197 PolarHBondContact O-N 3.42Å |
| 196 | E | 91.6 | Very high | 92.2 | Very high | 102 Ų | 102 | 46.8 Ų | 46.8 | 48% | 0.477 | 24% | 0.243 | S | C | . | . | trans | -84.9 | 65.2 | 179.5 | -65.4 | -65.3 | 167.5 | 0 | 0 | 110.7 | F191 Q194 W198 L199 A200 | F191-E196 HydrophobicContact CB-CB 4.19Å; F191-E196 HydrophobicContact CD1-CB 3.94Å; F191-E196 HydrophobicContact CD1-CG 4.34Å; F191-E196 PolarHBondContact O-N 2.92Å; Q194-E196 VanDerWaalsContact C-N 3.3Å; Q194-E196 HydrophobicContact CB-CG 4.32Å; E196-W198 VanDerWaalsContact C-N 3.32Å; E196-W198 PolarHBondContact O-N 2.85Å; E196-L199 HydrophobicContact CB-CB 4.27Å; E196-L199 HydrophobicContact CB-CD1 4.17Å; E196-L199 PolarHBondContact O-N 2.94Å; E196-L199 VanDerWaalsContact O-N 3.12Å; E196-A200 PolarHBondContact O-N 2.98Å | ||
| 197 | I | 90.6 | Very high | 92.2 | Very high | 53 Ų | 53 | 45.7 Ų | 45.7 | 27% | 0.272 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -53.5 | -44.2 | -169.8 | -65.7 | 174.3 | 0 | 0 | 0 | 112.5 | G195 L199 A200 I201 V224 A228 | G195-I197 VanDerWaalsContact C-N 3.25Å; G195-I197 PolarHBondContact O-N 3.42Å; I197-L199 PolarHBondContact O-N 3.3Å; I197-A200 WeakPolarHBondContact O-CB 3.36Å; I197-A200 PolarHBondContact O-N 2.86Å; I197-I201 HydrophobicContact CG2-CD1 4Å; I197-I201 WeakPolarHBondContact O-CG1 3.37Å; I197-I201 PolarHBondContact O-N 3.24Å; I197-V224 HydrophobicContact CG2-CG1 3.84Å; I197-A228 HydrophobicContact CG2-CB 3.73Å |
| 198 | W | 91.3 | Very high | 92.3 | Very high | 182 Ų | 182 | 46.3 Ų | 46.3 | 69% | 0.689 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -68 | -36.4 | -177.7 | -66.5 | 110.7 | 0 | 0 | 0 | 113.1 | E196 I201 H202 I230 | E196-W198 VanDerWaalsContact C-N 3.32Å; E196-W198 PolarHBondContact O-N 2.85Å; W198-I201 HydrophobicContact CE3-CD1 4.14Å; W198-I201 HydrophobicContact CZ3-CD1 4.38Å; W198-H202 PolarHBondContact O-N 3.37Å; W198-H202 VanDerWaalsContact O-N 3.14Å; W198-I230 HydrophobicContact CH2-CD1 3.7Å; W198-I230 HydrophobicContact CZ3-CD1 3.7Å |
| 199 | L | 93 | Very high | 92.4 | Very high | 75 Ų | 75 | 51.1 Ų | 51.1 | 39% | 0.393 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -69.7 | -41.6 | 174.8 | -70 | 174.6 | 0 | 0 | 0 | 110.4 | F191 E196 I197 I201 H202 H203 | F191-L199 HydrophobicContact CB-CB 4.15Å; F191-L199 HydrophobicContact CD1-CB 3.95Å; F191-L199 HydrophobicContact CD1-CD1 3.85Å; F191-L199 HydrophobicContact CD2-CB 4.16Å; F191-L199 HydrophobicContact CE1-CB 4.36Å; F191-L199 HydrophobicContact CE1-CD1 3.65Å; F191-L199 HydrophobicContact CG-CB 3.83Å; F191-L199 HydrophobicContact CZ-CD1 4.21Å; E196-L199 HydrophobicContact CB-CB 4.27Å; E196-L199 HydrophobicContact CB-CD1 4.17Å; E196-L199 PolarHBondContact O-N 2.94Å; E196-L199 VanDerWaalsContact O-N 3.12Å; I197-L199 PolarHBondContact O-N 3.3Å; L199-I201 PolarHBondContact O-N 3.22Å; L199-H202 WeakPolarHBondContact O-CB 3.12Å; L199-H202 PolarHBondContact O-N 3.45Å; L199-H203 PolarHBondContact O-CD2 2.97Å; L199-H203 PolarHBondContact O-N 3.29Å |
| 200 | A | 94.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.4 | -49.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G188 F191 N192 E196 I197 H202 H203 F204 V224 | G188-A200 WeakPolarHBondContact O-CB 3.44Å; F191-A200 HydrophobicContact CB-CB 4.06Å; N192-A200 HydrophobicContact CB-CB 3.98Å; E196-A200 PolarHBondContact O-N 2.98Å; I197-A200 WeakPolarHBondContact O-CB 3.36Å; I197-A200 PolarHBondContact O-N 2.86Å; A200-H202 PolarHBondContact O-N 3.14Å; A200-H203 PolarHBondContact O-N 2.89Å; A200-F204 HydrophobicContact CB-CD2 4.46Å; A200-F204 HydrophobicContact CB-CE2 4.22Å; A200-F204 WeakPolarHBondContact O-CD2 3.13Å; A200-F204 WeakPolarHBondContact O-CG 3.41Å; A200-F204 PolarHBondContact O-N 3.05Å; A200-V224 HydrophobicContact CB-CG1 4.13Å |
| 201 | I | 94.6 | Very high | 92.5 | Very high | 5 Ų | 5 | 56.2 Ų | 56.2 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55.6 | -50.3 | 175.9 | -67.6 | 165.2 | 0 | 0 | 0 | 110.6 | I197 W198 L199 H203 F204 E205 L221 V224 L225 A228 I230 | I197-I201 HydrophobicContact CG2-CD1 4Å; I197-I201 WeakPolarHBondContact O-CG1 3.37Å; I197-I201 PolarHBondContact O-N 3.24Å; W198-I201 HydrophobicContact CE3-CD1 4.14Å; W198-I201 HydrophobicContact CZ3-CD1 4.38Å; L199-I201 PolarHBondContact O-N 3.22Å; I201-H203 VanDerWaalsContact C-N 3.33Å; I201-H203 PolarHBondContact O-N 3.06Å; I201-F204 PolarHBondContact O-N 3.24Å; I201-E205 HydrophobicContact CG2-CG 4.31Å; I201-E205 WeakPolarHBondContact O-CB 3.28Å; I201-E205 WeakPolarHBondContact O-CG 3.47Å; I201-E205 PolarHBondContact O-N 3.01Å; I201-L221 HydrophobicContact CG2-CD1 4.17Å; I201-V224 HydrophobicContact CD1-CG1 4.26Å; I201-V224 HydrophobicContact CG1-CB 4.43Å; I201-V224 HydrophobicContact CG1-CG1 3.65Å; I201-L225 HydrophobicContact CD1-CD2 3.87Å; I201-L225 HydrophobicContact CG1-CD2 4.1Å; I201-L225 HydrophobicContact CG1-CG 4.48Å; I201-L225 HydrophobicContact CG2-CD2 4.13Å; I201-A228 HydrophobicContact CD1-CB 4.21Å; I201-I230 HydrophobicContact CD1-CD1 4.29Å |
| 202 | H | 94.8 | Very high | 92.5 | Very high | 87 Ų | 87 | 58.5 Ų | 58.5 | 40% | 0.403 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -56.1 | -46.6 | -179.3 | 178.1 | 77.4 | 0 | 0 | 0 | 112.5 | W198 L199 A200 E205 K206 | W198-H202 PolarHBondContact O-N 3.37Å; W198-H202 VanDerWaalsContact O-N 3.14Å; L199-H202 WeakPolarHBondContact O-CB 3.12Å; L199-H202 PolarHBondContact O-N 3.45Å; A200-H202 PolarHBondContact O-N 3.14Å; H202-E205 PolarHBondContact O-N 3.15Å; H202-K206 WeakPolarHBondContact O-CG 3.45Å; H202-K206 PolarHBondContact O-N 2.99Å |
| 203 | H | 94.6 | Very high | 92.7 | Very high | 21 Ų | 21 | 61.6 Ų | 61.6 | 10% | 0.097 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -71 | -36.5 | -177.8 | -71.6 | -65 | 0 | 0 | 0 | 112.6 | W184 F191 L199 A200 I201 K206 A207 | W184-H203 HydrophobicContact CE3-CB 4.49Å; W184-H203 AromaticContact CE3-ND1 3.2Å; W184-H203 AromaticContact CZ3-CE1 3.64Å; W184-H203 AromaticContact CZ3-ND1 3.2Å; W184-H203 WeakPolarHBondContact CZ3-ND1 3.38Å; F191-H203 AromaticContact CD2-CD2 3.36Å; F191-H203 WeakPolarHBondContact CD2-CD2 3.37Å; F191-H203 AromaticContact CD2-NE2 3.77Å; F191-H203 AromaticContact CE2-CD2 3.39Å; F191-H203 WeakPolarHBondContact CE2-CD2 3.28Å; F191-H203 AromaticContact CE2-NE2 3.25Å; F191-H203 VanDerWaalsContact CE2-NE2 3.25Å; F191-H203 WeakPolarHBondContact CE2-NE2 3.43Å; L199-H203 PolarHBondContact O-CD2 2.97Å; L199-H203 PolarHBondContact O-N 3.29Å; A200-H203 PolarHBondContact O-N 2.89Å; I201-H203 VanDerWaalsContact C-N 3.33Å; I201-H203 PolarHBondContact O-N 3.06Å; H203-K206 PolarHBondContact O-N 3.25Å; H203-A207 PolarHBondContact O-N 3.42Å |
| 204 | F | 96.1 | Very high | 93 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 0% | 0.004 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.3 | -39.7 | 172.1 | -71.6 | -53 | 0 | 0 | 0 | 112.5 | S185 G188 C189 A200 I201 K206 A207 V208 N220 L221 V224 | S185-F204 WeakPolarHBondContact O-CE1 3.47Å; G188-F204 VanDerWaalsContact C-CZ 3.41Å; C189-F204 HydrophobicContact CB-CZ 4.42Å; A200-F204 HydrophobicContact CB-CD2 4.46Å; A200-F204 HydrophobicContact CB-CE2 4.22Å; A200-F204 WeakPolarHBondContact O-CD2 3.13Å; A200-F204 WeakPolarHBondContact O-CG 3.41Å; A200-F204 PolarHBondContact O-N 3.05Å; I201-F204 PolarHBondContact O-N 3.24Å; F204-K206 VanDerWaalsContact C-N 3.33Å; F204-K206 PolarHBondContact O-N 3.46Å; F204-A207 WeakPolarHBondContact O-CB 3.35Å; F204-A207 PolarHBondContact O-N 2.88Å; F204-V208 PolarHBondContact O-N 3.13Å; F204-N220 HydrophobicContact CD1-CB 4.01Å; F204-N220 HydrophobicContact CE1-CB 3.49Å; F204-N220 VanDerWaalsContact CE1-CB 3.49Å; F204-N220 HydrophobicContact CE2-CB 4.1Å; F204-N220 HydrophobicContact CZ-CB 3.55Å; F204-L221 HydrophobicContact CB-CB 3.94Å; F204-L221 HydrophobicContact CB-CD1 3.89Å; F204-L221 HydrophobicContact CB-CG 4.4Å; F204-V224 HydrophobicContact CD2-CG2 4.29Å; F204-V224 HydrophobicContact CE2-CG2 3.8Å |
| 205 | E | 94.9 | Very high | 93.2 | Very high | 71 Ų | 71 | 58.7 Ų | 58.7 | 33% | 0.332 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.2 | -40.2 | 174.7 | -75.2 | -171.6 | 132.9 | 0 | 0 | 112.4 | I201 H202 V208 T209 L221 R233 | I201-E205 HydrophobicContact CG2-CG 4.31Å; I201-E205 WeakPolarHBondContact O-CB 3.28Å; I201-E205 WeakPolarHBondContact O-CG 3.47Å; I201-E205 PolarHBondContact O-N 3.01Å; H202-E205 PolarHBondContact O-N 3.15Å; E205-V208 VanDerWaalsContact O-CG2 3.29Å; E205-V208 WeakPolarHBondContact O-CG2 3.45Å; E205-T209 WeakPolarHBondContact O-CB 3.37Å; E205-T209 PolarHBondContact O-N 3.43Å; E205-T209 PolarHBondContact O-OG1 3.41Å; E205-L221 HydrophobicContact CG-CD1 3.98Å; E205-L221 HydrophobicContact CG-CD2 4.14Å; E205-R233 IonicContact OE1-CZ 3.17Å; E205-R233 IonicContact OE1-NE 4Å; E205-R233 IonicContact OE1-NH2 2.82Å; E205-R233 PolarHBondContact OE1-NH2 2.83Å; E205-R233 IonicContact OE2-NH2 3.69Å; E205-R233 PolarHBondContact OE2-NH2 3.21Å |
| 206 | K | 94.8 | Very high | 93.5 | Very high | 95 Ų | 95 | 60.8 Ų | 60.8 | 41% | 0.413 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 172.4 | -73.4 | -64.5 | -177.1 | -176.1 | 0 | 111.8 | W184 H202 H203 F204 V208 T209 L210 | W184-K206 HydrophobicContact CD2-CB 4.08Å; W184-K206 HydrophobicContact CE3-CB 3.78Å; W184-K206 HydrophobicContact CE3-CG 4.24Å; W184-K206 HydrophobicContact CG-CB 4.46Å; W184-K206 HydrophobicContact CZ3-CB 4.28Å; W184-K206 HydrophobicContact CZ3-CG 4.24Å; H202-K206 WeakPolarHBondContact O-CG 3.45Å; H202-K206 PolarHBondContact O-N 2.99Å; H203-K206 PolarHBondContact O-N 3.25Å; F204-K206 VanDerWaalsContact C-N 3.33Å; F204-K206 PolarHBondContact O-N 3.46Å; K206-V208 PolarHBondContact O-N 3.4Å; K206-T209 PolarHBondContact O-N 3.19Å; K206-L210 VanDerWaalsContact O-CG 3.31Å; K206-L210 WeakPolarHBondContact O-CG 3.33Å; K206-L210 PolarHBondContact O-N 2.65Å |
| 207 | A | 94.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.1 | -48.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A181 W184 H203 F204 T209 L210 D211 F214 A217 | A181-A207 WeakPolarHBondContact O-CB 3.18Å; W184-A207 HydrophobicContact CB-CB 3.93Å; H203-A207 PolarHBondContact O-N 3.42Å; F204-A207 WeakPolarHBondContact O-CB 3.35Å; F204-A207 PolarHBondContact O-N 2.88Å; A207-T209 VanDerWaalsContact C-N 3.3Å; A207-T209 PolarHBondContact O-N 3.44Å; A207-L210 PolarHBondContact O-N 3.2Å; A207-D211 PolarHBondContact O-N 3.02Å; A207-F214 HydrophobicContact CB-CD1 4.42Å; A207-A217 HydrophobicContact CB-CB 4.1Å |
| 208 | V | 94.7 | Very high | 93.8 | Very high | 13 Ų | 13 | 54.9 Ų | 54.9 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -72.8 | -21.6 | 179.5 | -59.1 | 0 | 0 | 0 | 0 | 113.6 | F204 E205 K206 D211 P212 A217 Y218 L221 | F204-V208 PolarHBondContact O-N 3.13Å; E205-V208 VanDerWaalsContact O-CG2 3.29Å; E205-V208 WeakPolarHBondContact O-CG2 3.45Å; K206-V208 PolarHBondContact O-N 3.4Å; V208-D211 CarbonylContact O-C 3.3Å; V208-P212 WeakPolarHBondContact O-CA 3.44Å; V208-A217 HydrophobicContact CG1-CB 3.59Å; V208-Y218 HydrophobicContact CB-CD1 4.31Å; V208-Y218 HydrophobicContact CB-CD2 4.5Å; V208-Y218 HydrophobicContact CB-CE1 3.78Å; V208-Y218 HydrophobicContact CB-CE2 4.01Å; V208-Y218 HydrophobicContact CG1-CD1 3.8Å; V208-Y218 HydrophobicContact CG1-CD2 3.92Å; V208-Y218 HydrophobicContact CG1-CE1 3.8Å; V208-Y218 HydrophobicContact CG1-CE2 3.94Å; V208-Y218 HydrophobicContact CG1-CG 3.86Å; V208-Y218 HydrophobicContact CG2-CE1 4.02Å; V208-L221 HydrophobicContact CG2-CD2 4.3Å |
| 209 | T | 94.6 | Very high | 93.9 | Very high | 102 Ų | 102 | 47 Ų | 47 | 63% | 0.626 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -72.8 | -39.5 | 172.4 | -57.4 | 0 | 0 | 0 | 0 | 111 | E205 K206 A207 | E205-T209 WeakPolarHBondContact O-CB 3.37Å; E205-T209 PolarHBondContact O-N 3.43Å; E205-T209 PolarHBondContact O-OG1 3.41Å; K206-T209 PolarHBondContact O-N 3.19Å; A207-T209 VanDerWaalsContact C-N 3.3Å; A207-T209 PolarHBondContact O-N 3.44Å |
| 210 | L | 93.4 | Very high | 94 | Very high | 66 Ų | 66 | 45.7 Ų | 45.7 | 35% | 0.346 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -74.8 | -36.4 | 179.2 | -69.5 | 172.4 | 0 | 0 | 0 | 112 | N179 A181 W184 K206 A207 | N179-L210 HydrophobicContact CB-CD2 4.34Å; A181-L210 HydrophobicContact CB-CB 3.93Å; W184-L210 VanDerWaalsContact CD1-CD1 3.41Å; W184-L210 HydrophobicContact CG-CD1 4.19Å; K206-L210 VanDerWaalsContact O-CG 3.31Å; K206-L210 WeakPolarHBondContact O-CG 3.33Å; K206-L210 PolarHBondContact O-N 2.65Å; A207-L210 PolarHBondContact O-N 3.2Å |
| 211 | D | 93.4 | Very high | 94 | Very high | 62 Ų | 62 | 46.2 Ų | 46.2 | 33% | 0.332 | 24% | 0.24 | S | C | . | . | trans | -132 | 96.2 | 173.2 | -177.9 | 3.5 | 0 | 0 | 0 | 111.5 | A181 A207 V208 N213 F214 | A181-D211 HydrophobicContact CB-CB 3.74Å; A207-D211 PolarHBondContact O-N 3.02Å; V208-D211 CarbonylContact O-C 3.3Å; D211-N213 PolarHBondContact O-N 3.06Å; D211-N213 VanDerWaalsContact O-N 3.1Å; D211-N213 PolarHBondContact OD1-N 3.22Å; D211-F214 HydrophobicContact CB-CB 4.02Å; D211-F214 WeakPolarHBondContact O-CB 3.39Å; D211-F214 PolarHBondContact O-N 3.24Å; D211-F214 VanDerWaalsContact O-N 3.14Å | ||
| 212 | P | 92.3 | Very high | 94.1 | Very high | 63 Ų | 63 | 46 Ų | 46 | 41% | 0.409 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -5.4 | 179.2 | -24.3 | 35.6 | 0 | 0 | 0 | 116.2 | V208 R240 | V208-P212 WeakPolarHBondContact O-CA 3.44Å; P212-R240 PolarHBondContact O-NH2 2.93Å |
| 213 | N | 93.3 | Very high | 94 | Very high | 113 Ų | 113 | 43.5 Ų | 43.5 | 60% | 0.604 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | 7.6 | 176.6 | -65.9 | -33.1 | 0 | 0 | 0 | 112.3 | D211 L215 L244 | D211-N213 PolarHBondContact O-N 3.06Å; D211-N213 VanDerWaalsContact O-N 3.1Å; D211-N213 PolarHBondContact OD1-N 3.22Å; N213-L215 PolarHBondContact O-N 2.97Å; N213-L244 HydrophobicContact CB-CD2 4.46Å |
| 214 | F | 93.2 | Very high | 94 | Very high | 29 Ų | 29 | 42.6 Ų | 42.6 | 13% | 0.127 | 23% | 0.225 | C | C | . | . | trans | -77.4 | 88.2 | -178 | -164.6 | -178.5 | 0 | 0 | 0 | 112.2 | A181 V182 S185 A207 D211 D216 A217 Y218 | A181-F214 HydrophobicContact CB-CD1 4.18Å; V182-F214 HydrophobicContact CG2-CE1 4.29Å; V182-F214 HydrophobicContact CG2-CZ 4.18Å; S185-F214 VanDerWaalsContact CB-CE1 3.48Å; A207-F214 HydrophobicContact CB-CD1 4.42Å; D211-F214 HydrophobicContact CB-CB 4.02Å; D211-F214 WeakPolarHBondContact O-CB 3.39Å; D211-F214 PolarHBondContact O-N 3.24Å; D211-F214 VanDerWaalsContact O-N 3.14Å; F214-D216 HydrophobicContact CD2-CB 4.35Å; F214-D216 HydrophobicContact CE2-CB 3.91Å; F214-D216 PolarHBondContact O-N 2.94Å; F214-A217 HydrophobicContact CB-CB 4.1Å; F214-A217 HydrophobicContact CD1-CB 3.52Å; F214-A217 HydrophobicContact CD2-CB 4.3Å; F214-A217 HydrophobicContact CE1-CB 3.98Å; F214-A217 HydrophobicContact CG-CB 3.7Å; F214-A217 PolarHBondContact O-N 3.42Å; F214-Y218 WeakPolarHBondContact O-CD2 3.04Å; F214-Y218 PolarHBondContact O-N 3.02Å | ||
| 215 | L | 92.2 | Very high | 93.9 | Very high | 42 Ų | 42 | 42.7 Ų | 42.7 | 22% | 0.22 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -52.2 | -52.2 | -176.9 | 178.5 | 62.7 | 0 | 0 | 0 | 113.2 | N213 A217 Y218 I219 A241 L244 | N213-L215 PolarHBondContact O-N 2.97Å; L215-A217 VanDerWaalsContact C-N 3.27Å; L215-A217 PolarHBondContact O-N 3.32Å; L215-Y218 PolarHBondContact O-N 2.93Å; L215-Y218 VanDerWaalsContact O-N 3.09Å; L215-I219 HydrophobicContact CD1-CD1 4.11Å; L215-I219 HydrophobicContact CD1-CG1 4.35Å; L215-I219 HydrophobicContact CG-CD1 3.99Å; L215-I219 WeakPolarHBondContact O-CG1 3.32Å; L215-I219 PolarHBondContact O-N 3.46Å; L215-A241 HydrophobicContact CD1-CB 3.73Å; L215-A241 VanDerWaalsContact CD1-O 3.32Å; L215-A241 WeakPolarHBondContact CD1-O 3.46Å; L215-L244 HydrophobicContact CB-CD1 4.49Å; L215-L244 HydrophobicContact CD1-CB 4.22Å |
| 216 | D | 91 | Very high | 93.8 | Very high | 94 Ų | 94 | 41.3 Ų | 41.3 | 50% | 0.503 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.3 | -34.7 | -175.9 | -63.2 | -34.4 | 0 | 0 | 0 | 112.5 | F214 I219 N220 | F214-D216 HydrophobicContact CD2-CB 4.35Å; F214-D216 HydrophobicContact CE2-CB 3.91Å; F214-D216 PolarHBondContact O-N 2.94Å; D216-I219 PolarHBondContact O-N 3.41Å; D216-N220 WeakPolarHBondContact O-CB 3.39Å; D216-N220 VanDerWaalsContact O-CG 3.25Å; D216-N220 PolarHBondContact O-N 2.92Å; D216-N220 PolarHBondContact O-ND2 2.91Å; D216-N220 VanDerWaalsContact O-ND2 3.13Å |
| 217 | A | 92.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67 | -37.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | A207 V208 F214 L215 L221 | A207-A217 HydrophobicContact CB-CB 4.1Å; V208-A217 HydrophobicContact CG1-CB 3.59Å; F214-A217 HydrophobicContact CB-CB 4.1Å; F214-A217 HydrophobicContact CD1-CB 3.52Å; F214-A217 HydrophobicContact CD2-CB 4.3Å; F214-A217 HydrophobicContact CE1-CB 3.98Å; F214-A217 HydrophobicContact CG-CB 3.7Å; F214-A217 PolarHBondContact O-N 3.42Å; L215-A217 VanDerWaalsContact C-N 3.27Å; L215-A217 PolarHBondContact O-N 3.32Å; A217-L221 WeakPolarHBondContact O-CB 3.22Å; A217-L221 PolarHBondContact O-N 2.89Å |
| 218 | Y | 96 | Very high | 93.2 | Very high | 31 Ų | 31 | 43.5 Ų | 43.5 | 12% | 0.122 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.5 | -39.7 | 173.5 | -79.2 | -66.9 | 0 | 0 | 0 | 112.9 | V208 F214 L215 L221 G222 R240 L244 | V208-Y218 HydrophobicContact CB-CD1 4.31Å; V208-Y218 HydrophobicContact CB-CD2 4.5Å; V208-Y218 HydrophobicContact CB-CE1 3.78Å; V208-Y218 HydrophobicContact CB-CE2 4.01Å; V208-Y218 HydrophobicContact CG1-CD1 3.8Å; V208-Y218 HydrophobicContact CG1-CD2 3.92Å; V208-Y218 HydrophobicContact CG1-CE1 3.8Å; V208-Y218 HydrophobicContact CG1-CE2 3.94Å; V208-Y218 HydrophobicContact CG1-CG 3.86Å; V208-Y218 HydrophobicContact CG2-CE1 4.02Å; F214-Y218 WeakPolarHBondContact O-CD2 3.04Å; F214-Y218 PolarHBondContact O-N 3.02Å; L215-Y218 PolarHBondContact O-N 2.93Å; L215-Y218 VanDerWaalsContact O-N 3.09Å; Y218-L221 PolarHBondContact O-N 3.08Å; Y218-G222 PolarHBondContact O-N 3.42Å; Y218-R240 HydrophobicContact CD1-CB 4.02Å; Y218-R240 HydrophobicContact CD1-CG 3.85Å; Y218-R240 HydrophobicContact CD2-CG 3.98Å; Y218-R240 HydrophobicContact CE1-CB 4.05Å; Y218-R240 HydrophobicContact CE1-CG 3.51Å; Y218-R240 HydrophobicContact CE2-CG 3.62Å; Y218-R240 HydrophobicContact CG-CB 4.37Å; Y218-R240 HydrophobicContact CG-CG 4.08Å; Y218-L244 HydrophobicContact CD2-CD1 3.98Å; Y218-L244 HydrophobicContact CE2-CD1 4.24Å |
| 219 | I | 94.9 | Very high | 92.9 | Very high | 16 Ų | 16 | 52.1 Ų | 52.1 | 8% | 0.082 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63 | -48.9 | 176.3 | -63 | 175.9 | 0 | 0 | 0 | 110 | L215 D216 G222 N223 A241 V251 | L215-I219 HydrophobicContact CD1-CD1 4.11Å; L215-I219 HydrophobicContact CD1-CG1 4.35Å; L215-I219 HydrophobicContact CG-CD1 3.99Å; L215-I219 WeakPolarHBondContact O-CG1 3.32Å; L215-I219 PolarHBondContact O-N 3.46Å; D216-I219 PolarHBondContact O-N 3.41Å; I219-G222 PolarHBondContact O-N 3.14Å; I219-N223 VanDerWaalsContact O-CG 3.28Å; I219-N223 PolarHBondContact O-N 3.25Å; I219-N223 PolarHBondContact O-ND2 2.96Å; I219-A241 HydrophobicContact CG1-CB 3.92Å; I219-V251 HydrophobicContact CD1-CG2 3.56Å; I219-V251 HydrophobicContact CG1-CG2 3.65Å; I219-V251 HydrophobicContact CG2-CG2 4.46Å |
| 220 | N | 94.4 | Very high | 92.9 | Very high | 48 Ų | 48 | 49.1 Ų | 49.1 | 26% | 0.257 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65 | -40.5 | 179 | -70.2 | -31.2 | 0 | 0 | 0 | 112.2 | F204 D216 G222 N223 V224 | F204-N220 HydrophobicContact CD1-CB 4.01Å; F204-N220 HydrophobicContact CE1-CB 3.49Å; F204-N220 VanDerWaalsContact CE1-CB 3.49Å; F204-N220 HydrophobicContact CE2-CB 4.1Å; F204-N220 HydrophobicContact CZ-CB 3.55Å; D216-N220 WeakPolarHBondContact O-CB 3.39Å; D216-N220 VanDerWaalsContact O-CG 3.25Å; D216-N220 PolarHBondContact O-N 2.92Å; D216-N220 PolarHBondContact O-ND2 2.91Å; D216-N220 VanDerWaalsContact O-ND2 3.13Å; N220-G222 VanDerWaalsContact C-N 3.35Å; N220-G222 PolarHBondContact O-N 3.11Å; N220-N223 PolarHBondContact O-N 3.1Å; N220-V224 WeakPolarHBondContact O-CG2 3.48Å; N220-V224 PolarHBondContact O-N 3.01Å |
| 221 | L | 95.4 | Very high | 92.9 | Very high | 11 Ų | 11 | 47.8 Ų | 47.8 | 6% | 0.058 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.2 | -47 | 172.9 | -179.2 | 57.3 | 0 | 0 | 0 | 111.2 | I201 F204 E205 V208 A217 Y218 N223 V224 L225 A237 | I201-L221 HydrophobicContact CG2-CD1 4.17Å; F204-L221 HydrophobicContact CB-CB 3.94Å; F204-L221 HydrophobicContact CB-CD1 3.89Å; F204-L221 HydrophobicContact CB-CG 4.4Å; E205-L221 HydrophobicContact CG-CD1 3.98Å; E205-L221 HydrophobicContact CG-CD2 4.14Å; V208-L221 HydrophobicContact CG2-CD2 4.3Å; A217-L221 WeakPolarHBondContact O-CB 3.22Å; A217-L221 PolarHBondContact O-N 2.89Å; Y218-L221 PolarHBondContact O-N 3.08Å; L221-N223 VanDerWaalsContact C-N 3.35Å; L221-N223 PolarHBondContact O-N 3.29Å; L221-V224 PolarHBondContact O-N 2.86Å; L221-L225 HydrophobicContact CD1-CD1 3.73Å; L221-L225 HydrophobicContact CD1-CG 4.02Å; L221-L225 HydrophobicContact CD2-CD1 4.5Å; L221-L225 HydrophobicContact CG-CD1 3.67Å; L221-L225 HydrophobicContact CG-CG 4.39Å; L221-L225 VanDerWaalsContact O-CB 3.32Å; L221-L225 WeakPolarHBondContact O-CB 3.4Å; L221-L225 WeakPolarHBondContact O-CD1 3.4Å; L221-L225 WeakPolarHBondContact O-CG 3.31Å; L221-L225 PolarHBondContact O-N 3.43Å; L221-A237 HydrophobicContact CB-CB 4.45Å; L221-A237 HydrophobicContact CD2-CB 4.34Å; L221-A237 HydrophobicContact CG-CB 4.23Å |
| 222 | G | 95.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.1 | -41.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y218 I219 N220 L225 K226 Y238 | Y218-G222 PolarHBondContact O-N 3.42Å; I219-G222 PolarHBondContact O-N 3.14Å; N220-G222 VanDerWaalsContact C-N 3.35Å; N220-G222 PolarHBondContact O-N 3.11Å; G222-L225 PolarHBondContact O-N 3.19Å; G222-K226 WeakPolarHBondContact O-CB 3.5Å; G222-K226 PolarHBondContact O-N 3.03Å; G222-Y238 PolarHBondContact O-OH 3.17Å |
| 223 | N | 93.8 | Very high | 92.9 | Very high | 36 Ų | 36 | 52.3 Ų | 52.3 | 19% | 0.193 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.1 | -49.7 | 178.4 | -69.2 | -21.5 | 0 | 0 | 0 | 111.5 | I219 N220 L221 L225 K226 E227 Y238 N254 | I219-N223 VanDerWaalsContact O-CG 3.28Å; I219-N223 PolarHBondContact O-N 3.25Å; I219-N223 PolarHBondContact O-ND2 2.96Å; N220-N223 PolarHBondContact O-N 3.1Å; L221-N223 VanDerWaalsContact C-N 3.35Å; L221-N223 PolarHBondContact O-N 3.29Å; N223-L225 PolarHBondContact O-N 3.48Å; N223-K226 WeakPolarHBondContact O-CB 3.32Å; N223-K226 PolarHBondContact O-N 3.03Å; N223-E227 PolarHBondContact O-N 3.04Å; N223-Y238 VanDerWaalsContact CA-OH 3.23Å; N223-Y238 WeakPolarHBondContact CA-OH 3.5Å; N223-Y238 PolarHBondContact N-OH 3.02Å; N223-Y238 VanDerWaalsContact N-OH 3.12Å; N223-Y238 PolarHBondContact OD1-OH 3.49Å; N223-N254 PolarHBondContact OD1-ND2 3.19Å |
| 224 | V | 94.2 | Very high | 93 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.1 | -37.4 | 179.8 | 179.8 | 0 | 0 | 0 | 0 | 111.6 | N192 I197 A200 I201 F204 N220 L221 K226 E227 A228 | N192-V224 HydrophobicContact CB-CG2 4.17Å; N192-V224 VanDerWaalsContact CG-CG2 3.48Å; N192-V224 WeakPolarHBondContact OD1-CG2 3.46Å; I197-V224 HydrophobicContact CG2-CG1 3.84Å; A200-V224 HydrophobicContact CB-CG1 4.13Å; I201-V224 HydrophobicContact CD1-CG1 4.26Å; I201-V224 HydrophobicContact CG1-CB 4.43Å; I201-V224 HydrophobicContact CG1-CG1 3.65Å; F204-V224 HydrophobicContact CD2-CG2 4.29Å; F204-V224 HydrophobicContact CE2-CG2 3.8Å; N220-V224 WeakPolarHBondContact O-CG2 3.48Å; N220-V224 PolarHBondContact O-N 3.01Å; L221-V224 PolarHBondContact O-N 2.86Å; V224-K226 VanDerWaalsContact C-N 3.33Å; V224-K226 PolarHBondContact O-N 3.32Å; V224-E227 PolarHBondContact O-N 3.33Å; V224-A228 WeakPolarHBondContact O-CB 3.13Å; V224-A228 PolarHBondContact O-N 2.75Å |
| 225 | L | 94.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.8 | -35.4 | 175.2 | -72.5 | 167.5 | 0 | 0 | 0 | 112.4 | I201 L221 G222 N223 A228 R229 I230 R233 A234 A237 | I201-L225 HydrophobicContact CD1-CD2 3.87Å; I201-L225 HydrophobicContact CG1-CD2 4.1Å; I201-L225 HydrophobicContact CG1-CG 4.48Å; I201-L225 HydrophobicContact CG2-CD2 4.13Å; L221-L225 HydrophobicContact CD1-CD1 3.73Å; L221-L225 HydrophobicContact CD1-CG 4.02Å; L221-L225 HydrophobicContact CD2-CD1 4.5Å; L221-L225 HydrophobicContact CG-CD1 3.67Å; L221-L225 HydrophobicContact CG-CG 4.39Å; L221-L225 VanDerWaalsContact O-CB 3.32Å; L221-L225 WeakPolarHBondContact O-CB 3.4Å; L221-L225 WeakPolarHBondContact O-CD1 3.4Å; L221-L225 WeakPolarHBondContact O-CG 3.31Å; L221-L225 PolarHBondContact O-N 3.43Å; G222-L225 PolarHBondContact O-N 3.19Å; N223-L225 PolarHBondContact O-N 3.48Å; L225-A228 PolarHBondContact O-N 2.82Å; L225-R229 PolarHBondContact O-N 3.09Å; L225-I230 HydrophobicContact CD2-CB 4.1Å; L225-I230 HydrophobicContact CD2-CD1 4.1Å; L225-I230 HydrophobicContact CD2-CG2 4.38Å; L225-I230 PolarHBondContact O-N 2.6Å; L225-R233 HydrophobicContact CD1-CB 3.78Å; L225-R233 HydrophobicContact CD2-CB 4.13Å; L225-A234 HydrophobicContact CB-CB 3.74Å; L225-A237 HydrophobicContact CD1-CB 4.47Å |
| 226 | K | 91.9 | Very high | 93.2 | Very high | 42 Ų | 42 | 47.3 Ų | 47.3 | 18% | 0.183 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.4 | -49.6 | 171.9 | 178.1 | -174.1 | 73.3 | 173 | 0 | 110.7 | G222 N223 V224 A228 R229 A234 C257 V258 | G222-K226 WeakPolarHBondContact O-CB 3.5Å; G222-K226 PolarHBondContact O-N 3.03Å; N223-K226 WeakPolarHBondContact O-CB 3.32Å; N223-K226 PolarHBondContact O-N 3.03Å; V224-K226 VanDerWaalsContact C-N 3.33Å; V224-K226 PolarHBondContact O-N 3.32Å; K226-A228 VanDerWaalsContact C-N 3.25Å; K226-A228 PolarHBondContact O-N 2.91Å; K226-R229 WeakPolarHBondContact O-CA 3.46Å; K226-R229 PolarHBondContact O-N 3.12Å; K226-A234 HydrophobicContact CB-CB 4.45Å; K226-C257 HydrophobicContact CD-CB 4.4Å; K226-V258 HydrophobicContact CB-CG2 4.06Å; K226-V258 HydrophobicContact CD-CG2 3.9Å; K226-V258 HydrophobicContact CG-CG2 3.83Å |
| 227 | E | 87.8 | Confident | 93.4 | Very high | 112 Ų | 112 | 43.1 Ų | 43.1 | 52% | 0.523 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.5 | -37 | 177.3 | -71.5 | 172.8 | -170 | 0 | 0 | 112.3 | N223 V224 R229 | N223-E227 PolarHBondContact O-N 3.04Å; V224-E227 PolarHBondContact O-N 3.33Å; E227-R229 PolarHBondContact O-N 2.89Å |
| 228 | A | 88.9 | Confident | 93.7 | Very high | 29 Ų | 29 | 43.1 Ų | 43.1 | 24% | 0.24 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -2.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | I197 I201 V224 L225 K226 I230 | I197-A228 HydrophobicContact CG2-CB 3.73Å; I201-A228 HydrophobicContact CD1-CB 4.21Å; V224-A228 WeakPolarHBondContact O-CB 3.13Å; V224-A228 PolarHBondContact O-N 2.75Å; L225-A228 PolarHBondContact O-N 2.82Å; K226-A228 VanDerWaalsContact C-N 3.25Å; K226-A228 PolarHBondContact O-N 2.91Å; A228-I230 VanDerWaalsContact C-N 3.26Å; A228-I230 HydrophobicContact CB-CD1 3.98Å; A228-I230 HydrophobicContact CB-CG1 3.91Å; A228-I230 PolarHBondContact O-N 3.37Å |
| 229 | R | 89.7 | Confident | 93.6 | Very high | 194 Ų | 194 | 45.7 Ų | 45.7 | 73% | 0.732 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 30.5 | -173.7 | -60.2 | -174.2 | 169.8 | -162.5 | -4.2 | 114.7 | L225 K226 E227 F231 | L225-R229 PolarHBondContact O-N 3.09Å; K226-R229 WeakPolarHBondContact O-CA 3.46Å; K226-R229 PolarHBondContact O-N 3.12Å; E227-R229 PolarHBondContact O-N 2.89Å; R229-F231 HydrophobicContact CB-CE1 4.35Å; R229-F231 HydrophobicContact CB-CE2 4.44Å; R229-F231 HydrophobicContact CB-CZ 4.05Å; R229-F231 HydrophobicContact CG-CE1 4.47Å; R229-F231 HydrophobicContact CG-CZ 4.11Å; R229-F231 PolarHBondContact O-N 2.82Å |
| 230 | I | 93.5 | Very high | 93.6 | Very high | 39 Ų | 39 | 49.5 Ų | 49.5 | 20% | 0.2 | 24% | 0.242 | C | C | . | . | trans | -97 | 66.7 | 176.2 | -48.2 | 176.9 | 0 | 0 | 0 | 108.7 | W198 I201 L225 A228 D232 R233 A234 | W198-I230 HydrophobicContact CH2-CD1 3.7Å; W198-I230 HydrophobicContact CZ3-CD1 3.7Å; I201-I230 HydrophobicContact CD1-CD1 4.29Å; L225-I230 HydrophobicContact CD2-CB 4.1Å; L225-I230 HydrophobicContact CD2-CD1 4.1Å; L225-I230 HydrophobicContact CD2-CG2 4.38Å; L225-I230 PolarHBondContact O-N 2.6Å; A228-I230 VanDerWaalsContact C-N 3.26Å; A228-I230 HydrophobicContact CB-CD1 3.98Å; A228-I230 HydrophobicContact CB-CG1 3.91Å; A228-I230 PolarHBondContact O-N 3.37Å; I230-D232 PolarHBondContact O-N 3Å; I230-R233 HydrophobicContact CG2-CB 4.02Å; I230-R233 HydrophobicContact CG2-CG 4.14Å; I230-R233 PolarHBondContact O-N 3.07Å; I230-A234 PolarHBondContact O-N 3.38Å; I230-A234 VanDerWaalsContact O-N 3.07Å | ||
| 231 | F | 92.8 | Very high | 93.6 | Very high | 39 Ų | 39 | 47.2 Ų | 47.2 | 17% | 0.171 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.1 | -41.6 | -164.7 | -60.2 | -46.5 | 0 | 0 | 0 | 114.4 | R229 R233 A234 V235 V258 E261 Q262 | R229-F231 HydrophobicContact CB-CE1 4.35Å; R229-F231 HydrophobicContact CB-CE2 4.44Å; R229-F231 HydrophobicContact CB-CZ 4.05Å; R229-F231 HydrophobicContact CG-CE1 4.47Å; R229-F231 HydrophobicContact CG-CZ 4.11Å; R229-F231 PolarHBondContact O-N 2.82Å; F231-R233 VanDerWaalsContact C-N 3.27Å; F231-R233 PolarHBondContact O-N 2.93Å; F231-A234 WeakPolarHBondContact O-CB 3.28Å; F231-A234 PolarHBondContact O-N 3.41Å; F231-A234 VanDerWaalsContact O-N 3.09Å; F231-V235 WeakPolarHBondContact O-CG2 3.48Å; F231-V235 PolarHBondContact O-N 3.11Å; F231-V258 HydrophobicContact CB-CG1 3.74Å; F231-V258 HydrophobicContact CD1-CG1 3.75Å; F231-V258 HydrophobicContact CG-CG1 4.05Å; F231-E261 HydrophobicContact CE1-CB 3.99Å; F231-E261 WeakPolarHBondContact CE1-OE2 3.13Å; F231-E261 HydrophobicContact CE2-CB 4.3Å; F231-E261 HydrophobicContact CZ-CB 3.69Å; F231-E261 WeakPolarHBondContact CZ-OE2 3.47Å; F231-Q262 HydrophobicContact CB-CG 3.7Å; F231-Q262 HydrophobicContact CD2-CG 3.68Å; F231-Q262 HydrophobicContact CE2-CG 4.49Å; F231-Q262 HydrophobicContact CG-CG 3.82Å |
| 232 | D | 91.5 | Very high | 93.6 | Very high | 129 Ų | 129 | 47.6 Ų | 47.6 | 69% | 0.69 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -60 | -39.3 | -178.3 | -59.9 | -30.8 | 0 | 0 | 0 | 112.3 | I230 A236 Q262 | I230-D232 PolarHBondContact O-N 3Å; D232-A236 PolarHBondContact O-N 3.34Å; D232-Q262 PolarHBondContact OD1-NE2 2.78Å |
| 233 | R | 94.9 | Very high | 93.5 | Very high | 91 Ų | 91 | 50.8 Ų | 50.8 | 34% | 0.343 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -76 | -35.1 | 177.1 | -70.3 | 173.5 | 58.7 | -155.1 | 3.2 | 111.6 | E205 L225 I230 F231 A236 A237 | E205-R233 IonicContact OE1-CZ 3.17Å; E205-R233 IonicContact OE1-NE 4Å; E205-R233 IonicContact OE1-NH2 2.82Å; E205-R233 PolarHBondContact OE1-NH2 2.83Å; E205-R233 IonicContact OE2-NH2 3.69Å; E205-R233 PolarHBondContact OE2-NH2 3.21Å; L225-R233 HydrophobicContact CD1-CB 3.78Å; L225-R233 HydrophobicContact CD2-CB 4.13Å; I230-R233 HydrophobicContact CG2-CB 4.02Å; I230-R233 HydrophobicContact CG2-CG 4.14Å; I230-R233 PolarHBondContact O-N 3.07Å; F231-R233 VanDerWaalsContact C-N 3.27Å; F231-R233 PolarHBondContact O-N 2.93Å; R233-A236 PolarHBondContact O-N 2.97Å; R233-A237 PolarHBondContact O-N 2.89Å |
| 234 | A | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.4 | -46.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L225 K226 I230 F231 A236 A237 Y238 V258 | L225-A234 HydrophobicContact CB-CB 3.74Å; K226-A234 HydrophobicContact CB-CB 4.45Å; I230-A234 PolarHBondContact O-N 3.38Å; I230-A234 VanDerWaalsContact O-N 3.07Å; F231-A234 WeakPolarHBondContact O-CB 3.28Å; F231-A234 PolarHBondContact O-N 3.41Å; F231-A234 VanDerWaalsContact O-N 3.09Å; A234-A236 VanDerWaalsContact C-N 3.35Å; A234-A236 PolarHBondContact O-N 3.37Å; A234-A237 PolarHBondContact O-N 2.83Å; A234-Y238 HydrophobicContact CB-CE2 4.31Å; A234-Y238 WeakPolarHBondContact O-CD2 3.25Å; A234-Y238 PolarHBondContact O-N 3.27Å; A234-V258 HydrophobicContact CB-CG2 4.25Å |
| 235 | V | 95.6 | Very high | 93.5 | Very high | 20 Ų | 20 | 53.4 Ų | 53.4 | 12% | 0.121 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.5 | -47.4 | 174.7 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | F231 A237 Y238 L239 L255 V258 Y259 | F231-V235 WeakPolarHBondContact O-CG2 3.48Å; F231-V235 PolarHBondContact O-N 3.11Å; V235-A237 VanDerWaalsContact C-N 3.33Å; V235-A237 PolarHBondContact O-N 3.26Å; V235-Y238 PolarHBondContact O-N 3.05Å; V235-L239 HydrophobicContact CG1-CD1 3.71Å; V235-L239 HydrophobicContact CG1-CG 4.12Å; V235-L239 WeakPolarHBondContact O-CB 3.23Å; V235-L239 VanDerWaalsContact O-CG 3.31Å; V235-L239 WeakPolarHBondContact O-CG 3.36Å; V235-L239 PolarHBondContact O-N 3.39Å; V235-L255 HydrophobicContact CB-CD1 4.24Å; V235-L255 HydrophobicContact CG1-CD1 4.07Å; V235-L255 HydrophobicContact CG2-CD1 3.97Å; V235-V258 HydrophobicContact CG2-CB 4.38Å; V235-V258 HydrophobicContact CG2-CG1 3.62Å; V235-Y259 HydrophobicContact CG1-CE1 4.14Å; V235-Y259 HydrophobicContact CG2-CD1 4.38Å; V235-Y259 HydrophobicContact CG2-CE1 3.91Å |
| 236 | A | 94.6 | Very high | 93.3 | Very high | 59 Ų | 59 | 57.1 Ų | 57.1 | 49% | 0.488 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D232 R233 A234 R240 | D232-A236 PolarHBondContact O-N 3.34Å; R233-A236 PolarHBondContact O-N 2.97Å; A234-A236 VanDerWaalsContact C-N 3.35Å; A234-A236 PolarHBondContact O-N 3.37Å; A236-R240 WeakPolarHBondContact O-CB 3.23Å; A236-R240 PolarHBondContact O-N 3.05Å |
| 237 | A | 95.4 | Very high | 93.3 | Very high | 6 Ų | 6 | 60.5 Ų | 60.5 | 5% | 0.05 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65 | -45.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L221 L225 R233 A234 V235 R240 A241 | L221-A237 HydrophobicContact CB-CB 4.45Å; L221-A237 HydrophobicContact CD2-CB 4.34Å; L221-A237 HydrophobicContact CG-CB 4.23Å; L225-A237 HydrophobicContact CD1-CB 4.47Å; R233-A237 PolarHBondContact O-N 2.89Å; A234-A237 PolarHBondContact O-N 2.83Å; V235-A237 VanDerWaalsContact C-N 3.33Å; V235-A237 PolarHBondContact O-N 3.26Å; A237-R240 PolarHBondContact O-N 3.41Å; A237-A241 PolarHBondContact O-N 3.27Å |
| 238 | Y | 96.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.6 | -41.2 | 177.2 | -67.1 | -50.3 | 0 | 0 | 0 | 113.1 | G222 N223 A234 V235 R240 A241 L242 V251 N254 L255 V258 | G222-Y238 PolarHBondContact O-OH 3.17Å; N223-Y238 VanDerWaalsContact CA-OH 3.23Å; N223-Y238 WeakPolarHBondContact CA-OH 3.5Å; N223-Y238 PolarHBondContact N-OH 3.02Å; N223-Y238 VanDerWaalsContact N-OH 3.12Å; N223-Y238 PolarHBondContact OD1-OH 3.49Å; A234-Y238 HydrophobicContact CB-CE2 4.31Å; A234-Y238 WeakPolarHBondContact O-CD2 3.25Å; A234-Y238 PolarHBondContact O-N 3.27Å; V235-Y238 PolarHBondContact O-N 3.05Å; Y238-R240 VanDerWaalsContact C-N 3.25Å; Y238-R240 PolarHBondContact O-N 3.22Å; Y238-A241 WeakPolarHBondContact O-CB 3.35Å; Y238-A241 PolarHBondContact O-N 3.33Å; Y238-L242 WeakPolarHBondContact O-CG 3.29Å; Y238-L242 PolarHBondContact O-N 3.27Å; Y238-V251 HydrophobicContact CD1-CG1 3.89Å; Y238-V251 HydrophobicContact CG-CG1 4.3Å; Y238-N254 HydrophobicContact CE1-CB 3.91Å; Y238-N254 HydrophobicContact CE2-CB 4.31Å; Y238-L255 HydrophobicContact CD2-CB 4.3Å; Y238-L255 HydrophobicContact CD2-CD1 4.26Å; Y238-L255 HydrophobicContact CG-CB 4.43Å; Y238-V258 HydrophobicContact CD2-CG2 4.39Å; Y238-V258 HydrophobicContact CE2-CG2 3.82Å |
| 239 | L | 95.6 | Very high | 93.7 | Very high | 84 Ų | 84 | 56.9 Ų | 56.9 | 44% | 0.44 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.3 | -36.6 | 174.9 | -72.1 | 177.4 | 0 | 0 | 0 | 111.3 | V235 L242 S243 L255 | V235-L239 HydrophobicContact CG1-CD1 3.71Å; V235-L239 HydrophobicContact CG1-CG 4.12Å; V235-L239 WeakPolarHBondContact O-CB 3.23Å; V235-L239 VanDerWaalsContact O-CG 3.31Å; V235-L239 WeakPolarHBondContact O-CG 3.36Å; V235-L239 PolarHBondContact O-N 3.39Å; L239-L242 PolarHBondContact O-N 3.09Å; L239-S243 PolarHBondContact O-N 2.94Å; L239-L255 HydrophobicContact CD2-CD2 3.95Å |
| 240 | R | 95.1 | Very high | 93.8 | Very high | 97 Ų | 97 | 50.4 Ų | 50.4 | 37% | 0.366 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66 | -44 | 173.3 | -174.2 | 58.9 | -177.1 | 163 | 4 | 111.6 | P212 Y218 A236 A237 Y238 L242 S243 L244 | P212-R240 PolarHBondContact O-NH2 2.93Å; Y218-R240 HydrophobicContact CD1-CB 4.02Å; Y218-R240 HydrophobicContact CD1-CG 3.85Å; Y218-R240 HydrophobicContact CD2-CG 3.98Å; Y218-R240 HydrophobicContact CE1-CB 4.05Å; Y218-R240 HydrophobicContact CE1-CG 3.51Å; Y218-R240 HydrophobicContact CE2-CG 3.62Å; Y218-R240 HydrophobicContact CG-CB 4.37Å; Y218-R240 HydrophobicContact CG-CG 4.08Å; A236-R240 WeakPolarHBondContact O-CB 3.23Å; A236-R240 PolarHBondContact O-N 3.05Å; A237-R240 PolarHBondContact O-N 3.41Å; Y238-R240 VanDerWaalsContact C-N 3.25Å; Y238-R240 PolarHBondContact O-N 3.22Å; R240-L242 VanDerWaalsContact C-N 3.33Å; R240-L242 PolarHBondContact O-N 2.84Å; R240-S243 PolarHBondContact NH1-OG 2.88Å; R240-S243 WeakPolarHBondContact O-CB 3.15Å; R240-S243 PolarHBondContact O-N 2.82Å; R240-S243 VanDerWaalsContact O-N 3.14Å; R240-S243 PolarHBondContact O-OG 3.32Å; R240-L244 PolarHBondContact O-N 3.43Å |
| 241 | A | 94.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.1 | -42.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L215 I219 A237 Y238 S243 L244 S245 V251 | L215-A241 HydrophobicContact CD1-CB 3.73Å; L215-A241 VanDerWaalsContact CD1-O 3.32Å; L215-A241 WeakPolarHBondContact CD1-O 3.46Å; I219-A241 HydrophobicContact CG1-CB 3.92Å; A237-A241 PolarHBondContact O-N 3.27Å; Y238-A241 WeakPolarHBondContact O-CB 3.35Å; Y238-A241 PolarHBondContact O-N 3.33Å; A241-S243 VanDerWaalsContact C-N 3.33Å; A241-S243 PolarHBondContact O-N 3.31Å; A241-L244 WeakPolarHBondContact O-CB 3.3Å; A241-L244 PolarHBondContact O-N 2.86Å; A241-S245 PolarHBondContact O-N 3.44Å; A241-V251 HydrophobicContact CB-CG1 4.21Å |
| 242 | L | 93.8 | Very high | 93.9 | Very high | 18 Ų | 18 | 47.9 Ų | 47.9 | 9% | 0.094 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.5 | -28.5 | 175.8 | -69.2 | 174.4 | 0 | 0 | 0 | 113.1 | Y238 L239 R240 L244 S245 P246 H248 V251 H252 L255 | Y238-L242 WeakPolarHBondContact O-CG 3.29Å; Y238-L242 PolarHBondContact O-N 3.27Å; L239-L242 PolarHBondContact O-N 3.09Å; R240-L242 VanDerWaalsContact C-N 3.33Å; R240-L242 PolarHBondContact O-N 2.84Å; L242-L244 VanDerWaalsContact C-N 3.27Å; L242-L244 PolarHBondContact O-N 2.79Å; L242-S245 CarbonylContact O-C 3.59Å; L242-S245 VanDerWaalsContact O-C 3.22Å; L242-S245 PolarHBondContact O-N 3.02Å; L242-P246 WeakPolarHBondContact O-CA 3.48Å; L242-P246 WeakPolarHBondContact O-CD 3.31Å; L242-P246 WeakPolarHBondContact O-CG 3.45Å; L242-H248 HydrophobicContact CD2-CB 4.39Å; L242-V251 HydrophobicContact CD1-CG1 4.19Å; L242-V251 HydrophobicContact CD2-CB 3.86Å; L242-V251 HydrophobicContact CD2-CG1 3.74Å; L242-V251 HydrophobicContact CG-CB 4.31Å; L242-V251 HydrophobicContact CG-CG1 3.61Å; L242-H252 WeakPolarHBondContact CD2-NE2 3.26Å; L242-L255 HydrophobicContact CD1-CD2 3.87Å |
| 243 | S | 94.3 | Very high | 94 | Very high | 68 Ų | 68 | 42 Ų | 42 | 48% | 0.476 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -67.5 | -29.8 | 172.3 | 78.1 | 0 | 0 | 0 | 0 | 112.5 | L239 R240 A241 | L239-S243 PolarHBondContact O-N 2.94Å; R240-S243 PolarHBondContact NH1-OG 2.88Å; R240-S243 WeakPolarHBondContact O-CB 3.15Å; R240-S243 PolarHBondContact O-N 2.82Å; R240-S243 VanDerWaalsContact O-N 3.14Å; R240-S243 PolarHBondContact O-OG 3.32Å; A241-S243 VanDerWaalsContact C-N 3.33Å; A241-S243 PolarHBondContact O-N 3.31Å |
| 244 | L | 93 | Very high | 93.9 | Very high | 57 Ų | 57 | 39 Ų | 39 | 30% | 0.298 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -81.6 | -38.7 | 175.2 | -62.9 | 172.7 | 0 | 0 | 0 | 111.5 | N213 L215 Y218 R240 A241 L242 | N213-L244 HydrophobicContact CB-CD2 4.46Å; L215-L244 HydrophobicContact CB-CD1 4.49Å; L215-L244 HydrophobicContact CD1-CB 4.22Å; Y218-L244 HydrophobicContact CD2-CD1 3.98Å; Y218-L244 HydrophobicContact CE2-CD1 4.24Å; R240-L244 PolarHBondContact O-N 3.43Å; A241-L244 WeakPolarHBondContact O-CB 3.3Å; A241-L244 PolarHBondContact O-N 2.86Å; L242-L244 VanDerWaalsContact C-N 3.27Å; L242-L244 PolarHBondContact O-N 2.79Å |
| 245 | S | 93.8 | Very high | 93.9 | Very high | 36 Ų | 36 | 39.3 Ų | 39.3 | 25% | 0.252 | 23% | 0.225 | S | C | . | . | trans | -138.4 | 88.6 | 178.3 | 178.6 | 0 | 0 | 0 | 0 | 111.8 | A241 L242 N247 H248 | A241-S245 PolarHBondContact O-N 3.44Å; L242-S245 CarbonylContact O-C 3.59Å; L242-S245 VanDerWaalsContact O-C 3.22Å; L242-S245 PolarHBondContact O-N 3.02Å; S245-N247 VanDerWaalsContact C-N 3.27Å; S245-N247 PolarHBondContact O-N 3.49Å; S245-H248 PolarHBondContact O-N 3.19Å | ||
| 246 | P | 90.8 | Very high | 93.9 | Very high | 79 Ų | 79 | 38.3 Ų | 38.3 | 51% | 0.513 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -26.4 | -173.1 | -26.4 | 34.8 | 0 | 0 | 0 | 115.7 | L242 H252 | L242-P246 WeakPolarHBondContact O-CA 3.48Å; L242-P246 WeakPolarHBondContact O-CD 3.31Å; L242-P246 WeakPolarHBondContact O-CG 3.45Å; P246-H252 PolarHBondContact O-NE2 2.97Å |
| 247 | N | 92.4 | Very high | 93.8 | Very high | 113 Ų | 113 | 36.3 Ų | 36.3 | 60% | 0.604 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 28.6 | -174.2 | -66.9 | -20 | 0 | 0 | 0 | 113 | S245 A249 L278 | S245-N247 VanDerWaalsContact C-N 3.27Å; S245-N247 PolarHBondContact O-N 3.49Å; N247-A249 PolarHBondContact O-N 3.49Å; N247-L278 HydrophobicContact CB-CD2 3.99Å |
| 248 | H | 92.6 | Very high | 93.7 | Very high | 57 Ų | 57 | 36 Ų | 36 | 26% | 0.264 | 20% | 0.199 | S | C | . | . | trans | -91.1 | 94.1 | -178.5 | -159.5 | -50.7 | 0 | 0 | 0 | 112 | L242 S245 V250 V251 H252 | L242-H248 HydrophobicContact CD2-CB 4.39Å; S245-H248 PolarHBondContact O-N 3.19Å; H248-V250 PolarHBondContact O-N 3.01Å; H248-V251 HydrophobicContact CB-CB 4.21Å; H248-V251 HydrophobicContact CB-CG2 4.08Å; H248-V251 PolarHBondContact O-N 3.49Å; H248-V251 VanDerWaalsContact O-N 3.08Å; H248-H252 PolarHBondContact O-CD2 3.22Å; H248-H252 PolarHBondContact O-N 2.88Å | ||
| 249 | A | 91.6 | Very high | 93.7 | Very high | 8 Ų | 8 | 37.3 Ų | 37.3 | 7% | 0.066 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -53.2 | -45.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | N247 V251 H252 G253 A275 L278 Q279 | N247-A249 PolarHBondContact O-N 3.49Å; A249-V251 VanDerWaalsContact C-N 3.31Å; A249-V251 PolarHBondContact O-N 2.74Å; A249-H252 WeakPolarHBondContact O-CB 3.41Å; A249-H252 PolarHBondContact O-N 2.85Å; A249-G253 PolarHBondContact O-N 3.38Å; A249-A275 WeakPolarHBondContact O-CB 3.45Å; A249-L278 HydrophobicContact CB-CB 3.86Å; A249-Q279 HydrophobicContact CB-CB 3.58Å |
| 250 | V | 92.2 | Very high | 93.5 | Very high | 58 Ų | 58 | 36.5 Ų | 36.5 | 35% | 0.352 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.9 | -36.1 | 179.6 | -177.9 | 0 | 0 | 0 | 0 | 112.6 | H248 G253 N254 | H248-V250 PolarHBondContact O-N 3.01Å; V250-G253 PolarHBondContact O-N 3.37Å; V250-N254 PolarHBondContact O-N 2.76Å |
| 251 | V | 93.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -72 | -39.3 | 178.8 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | I219 Y238 A241 L242 H248 A249 G253 N254 L255 | I219-V251 HydrophobicContact CD1-CG2 3.56Å; I219-V251 HydrophobicContact CG1-CG2 3.65Å; I219-V251 HydrophobicContact CG2-CG2 4.46Å; Y238-V251 HydrophobicContact CD1-CG1 3.89Å; Y238-V251 HydrophobicContact CG-CG1 4.3Å; A241-V251 HydrophobicContact CB-CG1 4.21Å; L242-V251 HydrophobicContact CD1-CG1 4.19Å; L242-V251 HydrophobicContact CD2-CB 3.86Å; L242-V251 HydrophobicContact CD2-CG1 3.74Å; L242-V251 HydrophobicContact CG-CB 4.31Å; L242-V251 HydrophobicContact CG-CG1 3.61Å; H248-V251 HydrophobicContact CB-CB 4.21Å; H248-V251 HydrophobicContact CB-CG2 4.08Å; H248-V251 PolarHBondContact O-N 3.49Å; H248-V251 VanDerWaalsContact O-N 3.08Å; A249-V251 VanDerWaalsContact C-N 3.31Å; A249-V251 PolarHBondContact O-N 2.74Å; V251-G253 VanDerWaalsContact C-N 3.34Å; V251-N254 PolarHBondContact O-N 2.8Å; V251-L255 VanDerWaalsContact O-CB 3.23Å; V251-L255 WeakPolarHBondContact O-CB 3.28Å; V251-L255 PolarHBondContact O-N 3.26Å |
| 252 | H | 94.9 | Very high | 93.1 | Very high | 25 Ų | 25 | 39.3 Ų | 39.3 | 12% | 0.116 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.1 | -45.2 | 169.8 | -76.7 | -74.9 | 0 | 0 | 0 | 111.1 | L242 P246 H248 A249 L255 A256 T271 A275 L278 | L242-H252 WeakPolarHBondContact CD2-NE2 3.26Å; P246-H252 PolarHBondContact O-NE2 2.97Å; H248-H252 PolarHBondContact O-CD2 3.22Å; H248-H252 PolarHBondContact O-N 2.88Å; A249-H252 WeakPolarHBondContact O-CB 3.41Å; A249-H252 PolarHBondContact O-N 2.85Å; H252-L255 PolarHBondContact O-N 2.98Å; H252-A256 WeakPolarHBondContact O-CB 3.3Å; H252-A256 PolarHBondContact O-N 3.1Å; H252-T271 HydrophobicContact CB-CG2 4.19Å; H252-T271 VanDerWaalsContact O-CG2 3.25Å; H252-T271 WeakPolarHBondContact O-CG2 3.48Å; H252-A275 HydrophobicContact CB-CB 3.82Å; H252-L278 VanDerWaalsContact CD2-CD1 3.45Å; H252-L278 WeakPolarHBondContact CD2-CD1 3.19Å |
| 253 | G | 92.8 | Very high | 92.9 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.6 | -47.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A249 V250 V251 A256 C257 Y272 | A249-G253 PolarHBondContact O-N 3.38Å; V250-G253 PolarHBondContact O-N 3.37Å; V251-G253 VanDerWaalsContact C-N 3.34Å; G253-A256 WeakPolarHBondContact O-CB 3.47Å; G253-A256 PolarHBondContact O-N 3.13Å; G253-C257 PolarHBondContact O-N 2.84Å; G253-C257 PolarHBondContact O-SG 3.49Å; G253-Y272 WeakPolarHBondContact O-CE1 3.22Å |
| 254 | N | 93.9 | Very high | 92.8 | Very high | 30 Ų | 30 | 41.6 Ų | 41.6 | 16% | 0.16 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.3 | -36.5 | 178.6 | -73.9 | -9.3 | 0 | 0 | 0 | 112.8 | N223 Y238 V250 V251 C257 V258 | N223-N254 PolarHBondContact OD1-ND2 3.19Å; Y238-N254 HydrophobicContact CE1-CB 3.91Å; Y238-N254 HydrophobicContact CE2-CB 4.31Å; V250-N254 PolarHBondContact O-N 2.76Å; V251-N254 PolarHBondContact O-N 2.8Å; N254-C257 WeakPolarHBondContact O-CB 3.46Å; N254-C257 PolarHBondContact O-N 3.01Å; N254-V258 PolarHBondContact O-N 3.41Å |
| 255 | L | 95.1 | Very high | 92.8 | Very high | 5 Ų | 5 | 40.1 Ų | 40.1 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.8 | -42.9 | 173.5 | 177 | 60.1 | 0 | 0 | 0 | 111.2 | V235 Y238 L239 L242 V251 H252 C257 V258 Y259 T271 | V235-L255 HydrophobicContact CB-CD1 4.24Å; V235-L255 HydrophobicContact CG1-CD1 4.07Å; V235-L255 HydrophobicContact CG2-CD1 3.97Å; Y238-L255 HydrophobicContact CD2-CB 4.3Å; Y238-L255 HydrophobicContact CD2-CD1 4.26Å; Y238-L255 HydrophobicContact CG-CB 4.43Å; L239-L255 HydrophobicContact CD2-CD2 3.95Å; L242-L255 HydrophobicContact CD1-CD2 3.87Å; V251-L255 VanDerWaalsContact O-CB 3.23Å; V251-L255 WeakPolarHBondContact O-CB 3.28Å; V251-L255 PolarHBondContact O-N 3.26Å; H252-L255 PolarHBondContact O-N 2.98Å; L255-C257 VanDerWaalsContact C-N 3.29Å; L255-C257 PolarHBondContact O-N 2.84Å; L255-V258 WeakPolarHBondContact O-CB 3.42Å; L255-V258 PolarHBondContact O-N 3.37Å; L255-Y259 HydrophobicContact CD1-CD2 4.42Å; L255-Y259 HydrophobicContact CD1-CE1 4.18Å; L255-Y259 HydrophobicContact CD1-CE2 3.83Å; L255-Y259 HydrophobicContact CD2-CE2 3.92Å; L255-Y259 HydrophobicContact CG-CD2 4.1Å; L255-Y259 HydrophobicContact CG-CE2 3.56Å; L255-Y259 PolarHBondContact O-N 3.23Å; L255-T271 HydrophobicContact CB-CG2 4.44Å; L255-T271 HydrophobicContact CD2-CG2 4.34Å; L255-T271 HydrophobicContact CG-CG2 4.38Å |
| 256 | A | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61 | -36.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | H252 G253 V258 Y259 Y260 A268 T271 Y272 | H252-A256 WeakPolarHBondContact O-CB 3.3Å; H252-A256 PolarHBondContact O-N 3.1Å; G253-A256 WeakPolarHBondContact O-CB 3.47Å; G253-A256 PolarHBondContact O-N 3.13Å; A256-V258 VanDerWaalsContact C-N 3.33Å; A256-V258 PolarHBondContact O-N 3.08Å; A256-Y259 PolarHBondContact O-N 2.89Å; A256-Y260 WeakPolarHBondContact O-CB 3.4Å; A256-Y260 PolarHBondContact O-N 2.87Å; A256-A268 WeakPolarHBondContact O-CB 3.49Å; A256-T271 HydrophobicContact CB-CG2 3.89Å; A256-Y272 HydrophobicContact CB-CD1 3.41Å; A256-Y272 VanDerWaalsContact CB-CD1 3.41Å; A256-Y272 HydrophobicContact CB-CD2 3.76Å; A256-Y272 HydrophobicContact CB-CE1 3.4Å; A256-Y272 HydrophobicContact CB-CE2 3.75Å; A256-Y272 HydrophobicContact CB-CG 3.57Å |
| 257 | C | 93.3 | Very high | 92.9 | Very high | 17 Ų | 17 | 42.6 Ų | 42.6 | 12% | 0.115 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.4 | -42.3 | 171.2 | -64 | 0 | 0 | 0 | 0 | 112.3 | K226 G253 N254 L255 Y260 E261 Y272 | K226-C257 HydrophobicContact CD-CB 4.4Å; G253-C257 PolarHBondContact O-N 2.84Å; G253-C257 PolarHBondContact O-SG 3.49Å; N254-C257 WeakPolarHBondContact O-CB 3.46Å; N254-C257 PolarHBondContact O-N 3.01Å; L255-C257 VanDerWaalsContact C-N 3.29Å; L255-C257 PolarHBondContact O-N 2.84Å; C257-Y260 WeakPolarHBondContact O-CB 3.45Å; C257-Y260 PolarHBondContact O-N 3.2Å; C257-E261 PolarHBondContact O-N 2.84Å; C257-Y272 WeakPolarHBondContact CA-OH 3.34Å; C257-Y272 PolarHBondContact N-OH 3.42Å; C257-Y272 PolarHBondContact SG-OH 2.96Å |
| 258 | V | 93.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65 | -43.7 | 177.1 | 179 | 0 | 0 | 0 | 0 | 111.2 | K226 F231 A234 V235 Y238 N254 L255 A256 Y260 E261 Q262 | K226-V258 HydrophobicContact CB-CG2 4.06Å; K226-V258 HydrophobicContact CD-CG2 3.9Å; K226-V258 HydrophobicContact CG-CG2 3.83Å; F231-V258 HydrophobicContact CB-CG1 3.74Å; F231-V258 HydrophobicContact CD1-CG1 3.75Å; F231-V258 HydrophobicContact CG-CG1 4.05Å; A234-V258 HydrophobicContact CB-CG2 4.25Å; V235-V258 HydrophobicContact CG2-CB 4.38Å; V235-V258 HydrophobicContact CG2-CG1 3.62Å; Y238-V258 HydrophobicContact CD2-CG2 4.39Å; Y238-V258 HydrophobicContact CE2-CG2 3.82Å; N254-V258 PolarHBondContact O-N 3.41Å; L255-V258 WeakPolarHBondContact O-CB 3.42Å; L255-V258 PolarHBondContact O-N 3.37Å; A256-V258 VanDerWaalsContact C-N 3.33Å; A256-V258 PolarHBondContact O-N 3.08Å; V258-Y260 VanDerWaalsContact C-N 3.29Å; V258-Y260 PolarHBondContact O-N 2.67Å; V258-E261 PolarHBondContact O-N 3.39Å; V258-Q262 HydrophobicContact CG1-CG 4.47Å; V258-Q262 WeakPolarHBondContact O-CG 3.38Å; V258-Q262 PolarHBondContact O-N 2.93Å |
| 259 | Y | 95.2 | Very high | 93.2 | Very high | 27 Ų | 27 | 34.7 Ų | 34.7 | 11% | 0.106 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.7 | -38.5 | 175.5 | -68 | -36 | 0 | 0 | 0 | 112.6 | V235 L255 A256 Q262 G263 L264 L267 | V235-Y259 HydrophobicContact CG1-CE1 4.14Å; V235-Y259 HydrophobicContact CG2-CD1 4.38Å; V235-Y259 HydrophobicContact CG2-CE1 3.91Å; L255-Y259 HydrophobicContact CD1-CD2 4.42Å; L255-Y259 HydrophobicContact CD1-CE1 4.18Å; L255-Y259 HydrophobicContact CD1-CE2 3.83Å; L255-Y259 HydrophobicContact CD2-CE2 3.92Å; L255-Y259 HydrophobicContact CG-CD2 4.1Å; L255-Y259 HydrophobicContact CG-CE2 3.56Å; L255-Y259 PolarHBondContact O-N 3.23Å; A256-Y259 PolarHBondContact O-N 2.89Å; Y259-Q262 PolarHBondContact O-N 2.86Å; Y259-G263 PolarHBondContact O-N 3.39Å; Y259-L264 HydrophobicContact CD1-CD1 4.07Å; Y259-L264 WeakPolarHBondContact O-CA 3.46Å; Y259-L264 WeakPolarHBondContact O-CB 3.48Å; Y259-L264 PolarHBondContact O-N 3.34Å; Y259-L267 HydrophobicContact CD1-CD2 3.7Å; Y259-L267 HydrophobicContact CD1-CG 4.41Å; Y259-L267 HydrophobicContact CD2-CB 4.29Å; Y259-L267 HydrophobicContact CD2-CD2 3.7Å; Y259-L267 HydrophobicContact CD2-CG 3.55Å; Y259-L267 HydrophobicContact CE1-CD2 3.52Å; Y259-L267 HydrophobicContact CE1-CG 4.45Å; Y259-L267 HydrophobicContact CE2-CD1 4.4Å; Y259-L267 HydrophobicContact CE2-CD2 3.5Å; Y259-L267 HydrophobicContact CE2-CG 3.59Å; Y259-L267 HydrophobicContact CG-CB 4.4Å; Y259-L267 HydrophobicContact CG-CD2 3.78Å; Y259-L267 HydrophobicContact CG-CG 3.98Å; Y259-L267 VanDerWaalsContact CZ-CD2 3.41Å |
| 260 | Y | 92.4 | Very high | 93.4 | Very high | 67 Ų | 67 | 38.8 Ų | 38.8 | 26% | 0.263 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.6 | -49.1 | 174.5 | -179.7 | -101.7 | 0 | 0 | 0 | 111.4 | A256 C257 V258 Q262 G263 I265 A292 E295 | A256-Y260 WeakPolarHBondContact O-CB 3.4Å; A256-Y260 PolarHBondContact O-N 2.87Å; C257-Y260 WeakPolarHBondContact O-CB 3.45Å; C257-Y260 PolarHBondContact O-N 3.2Å; V258-Y260 VanDerWaalsContact C-N 3.29Å; V258-Y260 PolarHBondContact O-N 2.67Å; Y260-Q262 VanDerWaalsContact C-N 3.26Å; Y260-Q262 PolarHBondContact O-N 3.4Å; Y260-G263 PolarHBondContact O-N 3.18Å; Y260-I265 HydrophobicContact CD2-CD1 3.74Å; Y260-I265 HydrophobicContact CE2-CD1 3.89Å; Y260-A292 HydrophobicContact CD2-CB 3.8Å; Y260-A292 HydrophobicContact CE2-CB 4.06Å; Y260-E295 WeakPolarHBondContact CE2-OE2 3.26Å; Y260-E295 PolarHBondContact OH-OE2 2.98Å |
| 261 | E | 90 | Very high | 93.6 | Very high | 94 Ų | 94 | 36.8 Ų | 36.8 | 44% | 0.439 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.6 | -25.5 | 178.1 | -71.7 | -176 | -150.5 | 0 | 0 | 113.8 | F231 C257 V258 G263 | F231-E261 HydrophobicContact CE1-CB 3.99Å; F231-E261 WeakPolarHBondContact CE1-OE2 3.13Å; F231-E261 HydrophobicContact CE2-CB 4.3Å; F231-E261 HydrophobicContact CZ-CB 3.69Å; F231-E261 WeakPolarHBondContact CZ-OE2 3.47Å; C257-E261 PolarHBondContact O-N 2.84Å; V258-E261 PolarHBondContact O-N 3.39Å; E261-G263 VanDerWaalsContact C-N 3.27Å |
| 262 | Q | 90.6 | Very high | 93.7 | Very high | 62 Ų | 62 | 37 Ų | 37 | 29% | 0.29 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -6.1 | 171.4 | -72 | -177.7 | -48.7 | 0 | 0 | 113.6 | F231 D232 V258 Y259 Y260 L264 | F231-Q262 HydrophobicContact CB-CG 3.7Å; F231-Q262 HydrophobicContact CD2-CG 3.68Å; F231-Q262 HydrophobicContact CE2-CG 4.49Å; F231-Q262 HydrophobicContact CG-CG 3.82Å; D232-Q262 PolarHBondContact OD1-NE2 2.78Å; V258-Q262 HydrophobicContact CG1-CG 4.47Å; V258-Q262 WeakPolarHBondContact O-CG 3.38Å; V258-Q262 PolarHBondContact O-N 2.93Å; Y259-Q262 PolarHBondContact O-N 2.86Å; Y260-Q262 VanDerWaalsContact C-N 3.26Å; Y260-Q262 PolarHBondContact O-N 3.4Å; Q262-L264 VanDerWaalsContact C-N 3.32Å; Q262-L264 HydrophobicContact CB-CD1 4.37Å; Q262-L264 HydrophobicContact CB-CG 4.25Å |
| 263 | G | 89.3 | Confident | 93.7 | Very high | 48 Ų | 48 | 40.4 Ų | 40.4 | 50% | 0.495 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 11.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y259 Y260 E261 I265 | Y259-G263 PolarHBondContact O-N 3.39Å; Y260-G263 PolarHBondContact O-N 3.18Å; E261-G263 VanDerWaalsContact C-N 3.27Å; G263-I265 PolarHBondContact O-N 2.95Å |
| 264 | L | 93.1 | Very high | 93.9 | Very high | 86 Ų | 86 | 45.1 Ų | 45.1 | 45% | 0.45 | 23% | 0.226 | S | C | . | . | trans | -84.5 | 63.7 | 176 | -60.7 | 175.8 | 0 | 0 | 0 | 110 | Y259 Q262 D266 L267 A268 | Y259-L264 HydrophobicContact CD1-CD1 4.07Å; Y259-L264 WeakPolarHBondContact O-CA 3.46Å; Y259-L264 WeakPolarHBondContact O-CB 3.48Å; Y259-L264 PolarHBondContact O-N 3.34Å; Q262-L264 VanDerWaalsContact C-N 3.32Å; Q262-L264 HydrophobicContact CB-CD1 4.37Å; Q262-L264 HydrophobicContact CB-CG 4.25Å; L264-D266 PolarHBondContact O-N 2.86Å; L264-L267 HydrophobicContact CB-CB 4.29Å; L264-L267 HydrophobicContact CD1-CD2 4.45Å; L264-L267 PolarHBondContact O-N 3.42Å; L264-A268 PolarHBondContact O-N 2.92Å | ||
| 265 | I | 92.6 | Very high | 93.9 | Very high | 26 Ų | 26 | 43.7 Ų | 43.7 | 13% | 0.133 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.7 | -42.4 | -167.4 | -54.8 | -55.5 | 0 | 0 | 0 | 113 | Y260 G263 L267 A268 I269 A292 E295 K296 | Y260-I265 HydrophobicContact CD2-CD1 3.74Å; Y260-I265 HydrophobicContact CE2-CD1 3.89Å; G263-I265 PolarHBondContact O-N 2.95Å; I265-L267 PolarHBondContact O-N 3.34Å; I265-A268 WeakPolarHBondContact O-CB 3.39Å; I265-A268 PolarHBondContact O-N 3.14Å; I265-I269 HydrophobicContact CG2-CD1 3.93Å; I265-I269 WeakPolarHBondContact O-CG1 3.24Å; I265-I269 PolarHBondContact O-N 3.06Å; I265-A292 HydrophobicContact CG2-CB 4.39Å; I265-A292 WeakPolarHBondContact CG2-O 3.18Å; I265-E295 HydrophobicContact CD1-CG 4.33Å; I265-K296 HydrophobicContact CG2-CB 4.11Å |
| 266 | D | 93.3 | Very high | 93.9 | Very high | 95 Ų | 95 | 44.2 Ų | 44.2 | 51% | 0.508 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.6 | -43.9 | 179 | -71.3 | -44.9 | 0 | 0 | 0 | 112.1 | L264 A268 I269 D270 K296 | L264-D266 PolarHBondContact O-N 2.86Å; D266-A268 VanDerWaalsContact C-N 3.33Å; D266-A268 PolarHBondContact O-N 3.39Å; D266-I269 PolarHBondContact O-N 2.88Å; D266-D270 PolarHBondContact O-N 3.24Å; D266-K296 VanDerWaalsContact OD1-CE 3.29Å; D266-K296 WeakPolarHBondContact OD1-CE 3.45Å; D266-K296 IonicContact OD1-NZ 3.69Å; D266-K296 PolarHBondContact OD1-NZ 2.74Å |
| 267 | L | 94.1 | Very high | 93.9 | Very high | 72 Ų | 72 | 50.3 Ų | 50.3 | 38% | 0.377 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -68.1 | -36.4 | 179.3 | -169.4 | 63.1 | 0 | 0 | 0 | 111.5 | Y259 L264 I265 T271 | Y259-L267 HydrophobicContact CD1-CD2 3.7Å; Y259-L267 HydrophobicContact CD1-CG 4.41Å; Y259-L267 HydrophobicContact CD2-CB 4.29Å; Y259-L267 HydrophobicContact CD2-CD2 3.7Å; Y259-L267 HydrophobicContact CD2-CG 3.55Å; Y259-L267 HydrophobicContact CE1-CD2 3.52Å; Y259-L267 HydrophobicContact CE1-CG 4.45Å; Y259-L267 HydrophobicContact CE2-CD1 4.4Å; Y259-L267 HydrophobicContact CE2-CD2 3.5Å; Y259-L267 HydrophobicContact CE2-CG 3.59Å; Y259-L267 HydrophobicContact CG-CB 4.4Å; Y259-L267 HydrophobicContact CG-CD2 3.78Å; Y259-L267 HydrophobicContact CG-CG 3.98Å; Y259-L267 VanDerWaalsContact CZ-CD2 3.41Å; L264-L267 HydrophobicContact CB-CB 4.29Å; L264-L267 HydrophobicContact CD1-CD2 4.45Å; L264-L267 PolarHBondContact O-N 3.42Å; I265-L267 PolarHBondContact O-N 3.34Å; L267-T271 VanDerWaalsContact O-CB 3.31Å; L267-T271 WeakPolarHBondContact O-CB 3.46Å; L267-T271 PolarHBondContact O-N 2.92Å; L267-T271 PolarHBondContact O-OG1 2.98Å |
| 268 | A | 95.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.2 | -48 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A256 L264 I265 D266 D270 T271 Y272 | A256-A268 WeakPolarHBondContact O-CB 3.49Å; L264-A268 PolarHBondContact O-N 2.92Å; I265-A268 WeakPolarHBondContact O-CB 3.39Å; I265-A268 PolarHBondContact O-N 3.14Å; D266-A268 VanDerWaalsContact C-N 3.33Å; D266-A268 PolarHBondContact O-N 3.39Å; A268-D270 PolarHBondContact O-N 3.26Å; A268-T271 PolarHBondContact O-N 3.14Å; A268-Y272 HydrophobicContact CB-CD2 4.4Å; A268-Y272 HydrophobicContact CB-CE2 4.15Å; A268-Y272 WeakPolarHBondContact O-CB 3.45Å; A268-Y272 WeakPolarHBondContact O-CD2 3.46Å; A268-Y272 PolarHBondContact O-N 2.81Å |
| 269 | I | 95.8 | Very high | 93.9 | Very high | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.2 | -50.4 | 178.3 | -72.7 | 164.9 | 0 | 0 | 0 | 111.1 | I265 D266 T271 Y272 R273 L289 A292 L293 K296 | I265-I269 HydrophobicContact CG2-CD1 3.93Å; I265-I269 WeakPolarHBondContact O-CG1 3.24Å; I265-I269 PolarHBondContact O-N 3.06Å; D266-I269 PolarHBondContact O-N 2.88Å; I269-T271 VanDerWaalsContact C-N 3.31Å; I269-T271 PolarHBondContact O-N 2.83Å; I269-Y272 PolarHBondContact O-N 2.71Å; I269-R273 WeakPolarHBondContact O-CG 3.37Å; I269-R273 PolarHBondContact O-N 2.78Å; I269-L289 HydrophobicContact CB-CD1 4.21Å; I269-L289 HydrophobicContact CG1-CD1 4.18Å; I269-L289 HydrophobicContact CG2-CD1 3.9Å; I269-A292 HydrophobicContact CD1-CB 4.45Å; I269-A292 HydrophobicContact CG1-CB 3.75Å; I269-L293 HydrophobicContact CD1-CD2 3.99Å; I269-L293 HydrophobicContact CD1-CG 4.48Å; I269-L293 HydrophobicContact CG1-CD2 4.38Å; I269-L293 HydrophobicContact CG2-CD2 4.41Å; I269-K296 HydrophobicContact CD1-CB 4.32Å; I269-K296 HydrophobicContact CD1-CD 3.59Å |
| 270 | D | 95.4 | Very high | 93.7 | Very high | 94 Ų | 94 | 58.1 Ų | 58.1 | 50% | 0.503 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.2 | -39.9 | -179 | -71.9 | -19.2 | 0 | 0 | 0 | 111.7 | D266 A268 R273 R274 | D266-D270 PolarHBondContact O-N 3.24Å; A268-D270 PolarHBondContact O-N 3.26Å; D270-R273 PolarHBondContact O-N 2.54Å; D270-R274 PolarHBondContact O-N 3.41Å |
| 271 | T | 95.4 | Very high | 93.7 | Very high | 16 Ų | 16 | 61.9 Ų | 61.9 | 10% | 0.098 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -71.8 | -37.7 | 179.8 | -49.8 | 0 | 0 | 0 | 0 | 111.9 | H252 L255 A256 L267 A268 I269 R274 A275 | H252-T271 HydrophobicContact CB-CG2 4.19Å; H252-T271 VanDerWaalsContact O-CG2 3.25Å; H252-T271 WeakPolarHBondContact O-CG2 3.48Å; L255-T271 HydrophobicContact CB-CG2 4.44Å; L255-T271 HydrophobicContact CD2-CG2 4.34Å; L255-T271 HydrophobicContact CG-CG2 4.38Å; A256-T271 HydrophobicContact CB-CG2 3.89Å; L267-T271 VanDerWaalsContact O-CB 3.31Å; L267-T271 WeakPolarHBondContact O-CB 3.46Å; L267-T271 PolarHBondContact O-N 2.92Å; L267-T271 PolarHBondContact O-OG1 2.98Å; A268-T271 PolarHBondContact O-N 3.14Å; I269-T271 VanDerWaalsContact C-N 3.31Å; I269-T271 PolarHBondContact O-N 2.83Å; T271-R274 WeakPolarHBondContact O-CB 3.4Å; T271-R274 PolarHBondContact O-N 3.36Å; T271-A275 PolarHBondContact O-N 3.41Å |
| 272 | Y | 96.6 | Very high | 93.7 | Very high | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64 | -42.7 | 171.9 | -76.3 | -55.8 | 0 | 0 | 0 | 111.8 | G253 A256 C257 A268 I269 R274 A275 I276 N288 L289 A292 | G253-Y272 WeakPolarHBondContact O-CE1 3.22Å; A256-Y272 HydrophobicContact CB-CD1 3.41Å; A256-Y272 VanDerWaalsContact CB-CD1 3.41Å; A256-Y272 HydrophobicContact CB-CD2 3.76Å; A256-Y272 HydrophobicContact CB-CE1 3.4Å; A256-Y272 HydrophobicContact CB-CE2 3.75Å; A256-Y272 HydrophobicContact CB-CG 3.57Å; C257-Y272 WeakPolarHBondContact CA-OH 3.34Å; C257-Y272 PolarHBondContact N-OH 3.42Å; C257-Y272 PolarHBondContact SG-OH 2.96Å; A268-Y272 HydrophobicContact CB-CD2 4.4Å; A268-Y272 HydrophobicContact CB-CE2 4.15Å; A268-Y272 WeakPolarHBondContact O-CB 3.45Å; A268-Y272 WeakPolarHBondContact O-CD2 3.46Å; A268-Y272 PolarHBondContact O-N 2.81Å; I269-Y272 PolarHBondContact O-N 2.71Å; Y272-R274 VanDerWaalsContact C-N 3.26Å; Y272-R274 PolarHBondContact O-N 3.15Å; Y272-A275 WeakPolarHBondContact O-CB 3.36Å; Y272-A275 PolarHBondContact O-N 3.2Å; Y272-A275 VanDerWaalsContact O-N 3.13Å; Y272-I276 WeakPolarHBondContact O-CG1 3.33Å; Y272-I276 PolarHBondContact O-N 3.47Å; Y272-N288 HydrophobicContact CD1-CB 4.21Å; Y272-N288 HydrophobicContact CE1-CB 3.51Å; Y272-N288 HydrophobicContact CE2-CB 4.12Å; Y272-N288 VanDerWaalsContact CZ-CB 3.46Å; Y272-N288 WeakPolarHBondContact OH-CB 3.3Å; Y272-L289 HydrophobicContact CD2-CB 4.47Å; Y272-L289 HydrophobicContact CG-CB 4.32Å; Y272-A292 HydrophobicContact CE2-CB 4.47Å |
| 273 | R | 96.1 | Very high | 93.8 | Very high | 97 Ų | 97 | 56.9 Ų | 56.9 | 37% | 0.366 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.3 | -41.9 | 174 | -76.4 | 176.2 | 173.2 | 168.3 | -3.5 | 110.9 | I269 D270 A275 I276 E277 L289 E301 | I269-R273 WeakPolarHBondContact O-CG 3.37Å; I269-R273 PolarHBondContact O-N 2.78Å; D270-R273 PolarHBondContact O-N 2.54Å; R273-A275 PolarHBondContact O-N 2.94Å; R273-I276 PolarHBondContact O-N 3.42Å; R273-E277 WeakPolarHBondContact O-CG 3.31Å; R273-E277 PolarHBondContact O-N 3.16Å; R273-L289 HydrophobicContact CG-CD1 4.37Å; R273-L289 HydrophobicContact CG-CD2 4.09Å; R273-E301 IonicContact CZ-OE1 3.04Å; R273-E301 IonicContact NH2-OE1 3.7Å; R273-E301 PolarHBondContact NH2-OE1 2.95Å; R273-E301 IonicContact NH2-OE2 2.69Å |
| 274 | R | 94.9 | Very high | 93.9 | Very high | 103 Ų | 103 | 58.4 Ų | 58.4 | 39% | 0.389 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.1 | -41 | 174.9 | -173.5 | 56.8 | 178.3 | 175.2 | 2.5 | 112.8 | D270 T271 Y272 I276 E277 L278 | D270-R274 PolarHBondContact O-N 3.41Å; T271-R274 WeakPolarHBondContact O-CB 3.4Å; T271-R274 PolarHBondContact O-N 3.36Å; Y272-R274 VanDerWaalsContact C-N 3.26Å; Y272-R274 PolarHBondContact O-N 3.15Å; R274-I276 VanDerWaalsContact C-N 3.31Å; R274-I276 PolarHBondContact O-N 2.97Å; R274-E277 WeakPolarHBondContact CD-OE2 3.07Å; R274-E277 IonicContact CZ-OE2 3.06Å; R274-E277 IonicContact NH1-OE2 2.75Å; R274-E277 PolarHBondContact NH1-OE2 3.22Å; R274-E277 PolarHBondContact O-N 2.86Å; R274-L278 HydrophobicContact CG-CD1 4.34Å; R274-L278 VanDerWaalsContact O-CG 3.29Å; R274-L278 WeakPolarHBondContact O-CG 3.28Å; R274-L278 PolarHBondContact O-N 2.85Å; R274-L278 VanDerWaalsContact O-N 3.14Å |
| 275 | A | 94.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A249 H252 T271 Y272 R273 L278 Q279 | A249-A275 WeakPolarHBondContact O-CB 3.45Å; H252-A275 HydrophobicContact CB-CB 3.82Å; T271-A275 PolarHBondContact O-N 3.41Å; Y272-A275 WeakPolarHBondContact O-CB 3.36Å; Y272-A275 PolarHBondContact O-N 3.2Å; Y272-A275 VanDerWaalsContact O-N 3.13Å; R273-A275 PolarHBondContact O-N 2.94Å; A275-L278 PolarHBondContact O-N 2.77Å; A275-Q279 PolarHBondContact O-N 3.13Å |
| 276 | I | 95.1 | Very high | 93.9 | Very high | 17 Ų | 17 | 55.1 Ų | 55.1 | 9% | 0.087 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69.6 | -39.8 | 178.8 | -68.1 | 163.3 | 0 | 0 | 0 | 111.9 | Y272 R273 R274 L278 Q279 P280 A285 Y286 L289 | Y272-I276 WeakPolarHBondContact O-CG1 3.33Å; Y272-I276 PolarHBondContact O-N 3.47Å; R273-I276 PolarHBondContact O-N 3.42Å; R274-I276 VanDerWaalsContact C-N 3.31Å; R274-I276 PolarHBondContact O-N 2.97Å; I276-L278 VanDerWaalsContact C-N 3.27Å; I276-L278 PolarHBondContact O-N 3.03Å; I276-Q279 CarbonylContact O-C 3.53Å; I276-Q279 PolarHBondContact O-N 3.3Å; I276-P280 WeakPolarHBondContact O-CA 3.41Å; I276-P280 VanDerWaalsContact O-N 3.09Å; I276-A285 HydrophobicContact CD1-CB 4.29Å; I276-A285 HydrophobicContact CG1-CB 3.78Å; I276-Y286 HydrophobicContact CD1-CD1 3.89Å; I276-Y286 HydrophobicContact CD1-CD2 4.38Å; I276-Y286 HydrophobicContact CD1-CE1 4.04Å; I276-Y286 HydrophobicContact CD1-CG 4.08Å; I276-Y286 HydrophobicContact CG1-CD2 4.38Å; I276-Y286 HydrophobicContact CG1-CE2 4.29Å; I276-Y286 HydrophobicContact CG2-CE1 3.91Å; I276-Y286 HydrophobicContact CG2-CE2 3.82Å; I276-Y286 WeakPolarHBondContact CG2-OH 3.47Å; I276-L289 HydrophobicContact CD1-CB 4.36Å; I276-L289 HydrophobicContact CD1-CD2 3.65Å |
| 277 | E | 94.8 | Very high | 94 | Very high | 127 Ų | 127 | 50.7 Ų | 50.7 | 59% | 0.593 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -58.2 | -41.5 | 173.7 | -77.1 | 174.9 | -175.9 | 0 | 0 | 111.8 | R273 R274 | R273-E277 WeakPolarHBondContact O-CG 3.31Å; R273-E277 PolarHBondContact O-N 3.16Å; R274-E277 WeakPolarHBondContact CD-OE2 3.07Å; R274-E277 IonicContact CZ-OE2 3.06Å; R274-E277 IonicContact NH1-OE2 2.75Å; R274-E277 PolarHBondContact NH1-OE2 3.22Å; R274-E277 PolarHBondContact O-N 2.86Å |
| 278 | L | 93.1 | Very high | 94 | Very high | 51 Ų | 51 | 49.7 Ų | 49.7 | 27% | 0.267 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -73.4 | -35.7 | 178.4 | -67.8 | 171.1 | 0 | 0 | 0 | 112 | N247 A249 H252 R274 A275 I276 | N247-L278 HydrophobicContact CB-CD2 3.99Å; A249-L278 HydrophobicContact CB-CB 3.86Å; H252-L278 VanDerWaalsContact CD2-CD1 3.45Å; H252-L278 WeakPolarHBondContact CD2-CD1 3.19Å; R274-L278 HydrophobicContact CG-CD1 4.34Å; R274-L278 VanDerWaalsContact O-CG 3.29Å; R274-L278 WeakPolarHBondContact O-CG 3.28Å; R274-L278 PolarHBondContact O-N 2.85Å; R274-L278 VanDerWaalsContact O-N 3.14Å; A275-L278 PolarHBondContact O-N 2.77Å; I276-L278 VanDerWaalsContact C-N 3.27Å; I276-L278 PolarHBondContact O-N 3.03Å |
| 279 | Q | 94.1 | Very high | 94 | Very high | 80 Ų | 80 | 50 Ų | 50 | 37% | 0.374 | 24% | 0.243 | S | C | . | . | trans | -138.4 | 92.9 | 178.9 | -173.3 | 177.1 | -13.9 | 0 | 0 | 111.4 | A249 A275 I276 H281 F282 | A249-Q279 HydrophobicContact CB-CB 3.58Å; A275-Q279 PolarHBondContact O-N 3.13Å; I276-Q279 CarbonylContact O-C 3.53Å; I276-Q279 PolarHBondContact O-N 3.3Å; Q279-H281 VanDerWaalsContact C-N 3.26Å; Q279-H281 PolarHBondContact NE2-O 3.31Å; Q279-H281 PolarHBondContact O-N 2.92Å; Q279-F282 HydrophobicContact CB-CB 4.48Å; Q279-F282 HydrophobicContact CG-CB 4.23Å; Q279-F282 WeakPolarHBondContact O-CB 3.32Å | ||
| 280 | P | 91.8 | Very high | 93.9 | Very high | 78 Ų | 78 | 49.8 Ų | 49.8 | 51% | 0.506 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -67.2 | -19.9 | -178.6 | -26.1 | 35.8 | 0 | 0 | 0 | 115.1 | I276 F282 Y286 | I276-P280 WeakPolarHBondContact O-CA 3.41Å; I276-P280 VanDerWaalsContact O-N 3.09Å; P280-F282 PolarHBondContact O-N 2.85Å; P280-Y286 WeakPolarHBondContact O-CE2 3.36Å |
| 281 | H | 92.6 | Very high | 93.8 | Very high | 145 Ų | 145 | 47.1 Ų | 47.1 | 67% | 0.671 | 23% | 0.227 | S | C | * | . | trans | -96.1 | 66.4 | 172.7 | -84.1 | 60.9 | 0 | 0 | 0 | 110.2 | Q279 | Q279-H281 VanDerWaalsContact C-N 3.26Å; Q279-H281 PolarHBondContact NE2-O 3.31Å; Q279-H281 PolarHBondContact O-N 2.92Å | ||
| 282 | F | 90.4 | Very high | 93.7 | Very high | 26 Ų | 26 | 46.4 Ų | 46.4 | 11% | 0.114 | 22% | 0.223 | C | C | . | . | trans | -133.8 | 80.3 | 179.7 | -164.8 | -178.2 | 0 | 0 | 0 | 111.7 | Q279 P280 D284 A285 Y286 | Q279-F282 HydrophobicContact CB-CB 4.48Å; Q279-F282 HydrophobicContact CG-CB 4.23Å; Q279-F282 WeakPolarHBondContact O-CB 3.32Å; P280-F282 PolarHBondContact O-N 2.85Å; F282-D284 VanDerWaalsContact C-N 3.34Å; F282-D284 HydrophobicContact CD2-CB 4.25Å; F282-D284 HydrophobicContact CE2-CB 3.86Å; F282-D284 PolarHBondContact O-N 3.34Å; F282-A285 HydrophobicContact CB-CB 4.11Å; F282-A285 HydrophobicContact CD1-CB 3.48Å; F282-A285 VanDerWaalsContact CD1-CB 3.48Å; F282-A285 HydrophobicContact CD2-CB 4.19Å; F282-A285 HydrophobicContact CE1-CB 3.88Å; F282-A285 HydrophobicContact CG-CB 3.65Å; F282-A285 HydrophobicContact CZ-CB 4.39Å; F282-A285 PolarHBondContact O-N 2.87Å; F282-A285 VanDerWaalsContact O-N 3.16Å; F282-Y286 WeakPolarHBondContact O-CD2 3.44Å; F282-Y286 PolarHBondContact O-N 3.05Å | ||
| 283 | P | 91.3 | Very high | 93.5 | Very high | 26 Ų | 26 | 46.2 Ų | 46.2 | 17% | 0.169 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55 | -42.5 | -175 | -25.1 | 33.4 | 0 | 0 | 0 | 114.2 | A285 Y286 C287 A309 L312 C313 | P283-A285 VanDerWaalsContact C-N 3.3Å; P283-A285 PolarHBondContact O-N 3.23Å; P283-Y286 PolarHBondContact O-N 2.67Å; P283-Y286 VanDerWaalsContact O-N 3.16Å; P283-C287 PolarHBondContact O-N 3.14Å; P283-A309 HydrophobicContact CB-CB 4.49Å; P283-L312 HydrophobicContact CG-CB 3.93Å; P283-C313 HydrophobicContact CB-CB 4.06Å; P283-C313 HydrophobicContact CG-CB 3.79Å |
| 284 | D | 91 | Very high | 93.1 | Very high | 79 Ų | 79 | 44.3 Ų | 44.3 | 42% | 0.422 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.1 | -38.1 | -179.5 | -52.7 | -17.6 | 0 | 0 | 0 | 111.7 | F282 C287 N288 H316 | F282-D284 VanDerWaalsContact C-N 3.34Å; F282-D284 HydrophobicContact CD2-CB 4.25Å; F282-D284 HydrophobicContact CE2-CB 3.86Å; F282-D284 PolarHBondContact O-N 3.34Å; D284-C287 PolarHBondContact O-N 2.87Å; D284-N288 WeakPolarHBondContact O-CB 3.44Å; D284-N288 VanDerWaalsContact O-CG 3.23Å; D284-N288 PolarHBondContact O-N 3.47Å; D284-N288 PolarHBondContact O-ND2 2.9Å; D284-H316 IonicContact OD1-CD2 3.74Å; D284-H316 IonicContact OD1-NE2 3.73Å; D284-H316 PolarHBondContact OD1-NE2 3.34Å; D284-H316 VanDerWaalsContact OD1-NE2 3.1Å |
| 285 | A | 91.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 2% | 0.017 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.1 | -38.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I276 F282 P283 L289 | I276-A285 HydrophobicContact CD1-CB 4.29Å; I276-A285 HydrophobicContact CG1-CB 3.78Å; F282-A285 HydrophobicContact CB-CB 4.11Å; F282-A285 HydrophobicContact CD1-CB 3.48Å; F282-A285 VanDerWaalsContact CD1-CB 3.48Å; F282-A285 HydrophobicContact CD2-CB 4.19Å; F282-A285 HydrophobicContact CE1-CB 3.88Å; F282-A285 HydrophobicContact CG-CB 3.65Å; F282-A285 HydrophobicContact CZ-CB 4.39Å; F282-A285 PolarHBondContact O-N 2.87Å; F282-A285 VanDerWaalsContact O-N 3.16Å; P283-A285 VanDerWaalsContact C-N 3.3Å; P283-A285 PolarHBondContact O-N 3.23Å; A285-L289 WeakPolarHBondContact O-CB 3.33Å; A285-L289 PolarHBondContact O-N 3.14Å |
| 286 | Y | 95.4 | Very high | 92.6 | Very high | 42 Ų | 42 | 49.6 Ų | 49.6 | 17% | 0.165 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.2 | -42.2 | 172.1 | -79.5 | -77.3 | 0 | 0 | 0 | 112.1 | I276 P280 F282 P283 A290 T308 L312 | I276-Y286 HydrophobicContact CD1-CD1 3.89Å; I276-Y286 HydrophobicContact CD1-CD2 4.38Å; I276-Y286 HydrophobicContact CD1-CE1 4.04Å; I276-Y286 HydrophobicContact CD1-CG 4.08Å; I276-Y286 HydrophobicContact CG1-CD2 4.38Å; I276-Y286 HydrophobicContact CG1-CE2 4.29Å; I276-Y286 HydrophobicContact CG2-CE1 3.91Å; I276-Y286 HydrophobicContact CG2-CE2 3.82Å; I276-Y286 WeakPolarHBondContact CG2-OH 3.47Å; P280-Y286 WeakPolarHBondContact O-CE2 3.36Å; F282-Y286 WeakPolarHBondContact O-CD2 3.44Å; F282-Y286 PolarHBondContact O-N 3.05Å; P283-Y286 PolarHBondContact O-N 2.67Å; P283-Y286 VanDerWaalsContact O-N 3.16Å; Y286-A290 WeakPolarHBondContact O-CB 3.5Å; Y286-A290 PolarHBondContact O-N 3.18Å; Y286-T308 HydrophobicContact CD1-CG2 3.94Å; Y286-T308 HydrophobicContact CD2-CG2 4.32Å; Y286-T308 HydrophobicContact CE1-CG2 3.66Å; Y286-T308 HydrophobicContact CE2-CG2 4.06Å; Y286-T308 HydrophobicContact CG-CG2 4.26Å; Y286-L312 HydrophobicContact CD2-CD1 3.76Å; Y286-L312 HydrophobicContact CE2-CD1 3.66Å |
| 287 | C | 94.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.014 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 177 | -172.8 | 0 | 0 | 0 | 0 | 111.8 | P283 D284 A290 N291 S319 | P283-C287 PolarHBondContact O-N 3.14Å; D284-C287 PolarHBondContact O-N 2.87Å; C287-A290 WeakPolarHBondContact O-CB 3.26Å; C287-A290 PolarHBondContact O-N 3.35Å; C287-N291 PolarHBondContact O-N 3.35Å; C287-N291 PolarHBondContact O-ND2 2.61Å; C287-S319 WeakPolarHBondContact CB-OG 3.43Å; C287-S319 PolarHBondContact SG-OG 3.36Å |
| 288 | N | 94.2 | Very high | 92 | Very high | 50 Ų | 50 | 48.4 Ų | 48.4 | 27% | 0.267 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -73.4 | -34.8 | 179.8 | -69.2 | -26.5 | 0 | 0 | 0 | 112.8 | Y272 D284 A290 N291 A292 | Y272-N288 HydrophobicContact CD1-CB 4.21Å; Y272-N288 HydrophobicContact CE1-CB 3.51Å; Y272-N288 HydrophobicContact CE2-CB 4.12Å; Y272-N288 VanDerWaalsContact CZ-CB 3.46Å; Y272-N288 WeakPolarHBondContact OH-CB 3.3Å; D284-N288 WeakPolarHBondContact O-CB 3.44Å; D284-N288 VanDerWaalsContact O-CG 3.23Å; D284-N288 PolarHBondContact O-N 3.47Å; D284-N288 PolarHBondContact O-ND2 2.9Å; N288-A290 VanDerWaalsContact C-N 3.3Å; N288-A290 PolarHBondContact O-N 3.12Å; N288-N291 WeakPolarHBondContact O-CB 3.4Å; N288-N291 PolarHBondContact O-N 2.93Å; N288-A292 PolarHBondContact O-N 2.93Å; N288-A292 VanDerWaalsContact O-N 3.11Å |
| 289 | L | 95.4 | Very high | 91.8 | Very high | 7 Ų | 7 | 48.3 Ų | 48.3 | 4% | 0.037 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 168.3 | 175.8 | 58.6 | 0 | 0 | 0 | 110.9 | I269 Y272 R273 I276 A285 N291 A292 L293 | I269-L289 HydrophobicContact CB-CD1 4.21Å; I269-L289 HydrophobicContact CG1-CD1 4.18Å; I269-L289 HydrophobicContact CG2-CD1 3.9Å; Y272-L289 HydrophobicContact CD2-CB 4.47Å; Y272-L289 HydrophobicContact CG-CB 4.32Å; R273-L289 HydrophobicContact CG-CD1 4.37Å; R273-L289 HydrophobicContact CG-CD2 4.09Å; I276-L289 HydrophobicContact CD1-CB 4.36Å; I276-L289 HydrophobicContact CD1-CD2 3.65Å; A285-L289 WeakPolarHBondContact O-CB 3.33Å; A285-L289 PolarHBondContact O-N 3.14Å; L289-N291 VanDerWaalsContact C-N 3.35Å; L289-N291 PolarHBondContact O-N 3.09Å; L289-A292 PolarHBondContact O-N 3.35Å; L289-L293 HydrophobicContact CD1-CD1 4Å; L289-L293 HydrophobicContact CD1-CG 4.04Å; L289-L293 HydrophobicContact CD2-CD1 4.48Å; L289-L293 HydrophobicContact CG-CD1 3.82Å; L289-L293 HydrophobicContact CG-CG 4.33Å; L289-L293 WeakPolarHBondContact O-CB 3.49Å; L289-L293 WeakPolarHBondContact O-CG 3.41Å; L289-L293 PolarHBondContact O-N 3.28Å |
| 290 | A | 94.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.3 | -40 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y286 C287 N288 L293 K294 A302 C305 Y306 | Y286-A290 WeakPolarHBondContact O-CB 3.5Å; Y286-A290 PolarHBondContact O-N 3.18Å; C287-A290 WeakPolarHBondContact O-CB 3.26Å; C287-A290 PolarHBondContact O-N 3.35Å; N288-A290 VanDerWaalsContact C-N 3.3Å; N288-A290 PolarHBondContact O-N 3.12Å; A290-L293 PolarHBondContact O-N 2.93Å; A290-K294 WeakPolarHBondContact O-CB 3.14Å; A290-K294 PolarHBondContact O-N 3.13Å; A290-A302 HydrophobicContact CB-CB 4.27Å; A290-A302 WeakPolarHBondContact CB-O 3.49Å; A290-A302 VanDerWaalsContact O-CB 3.29Å; A290-A302 WeakPolarHBondContact O-CB 3.43Å; A290-C305 HydrophobicContact CB-CB 3.64Å; A290-Y306 HydrophobicContact CB-CD1 3.7Å; A290-Y306 HydrophobicContact CB-CD2 3.79Å; A290-Y306 HydrophobicContact CB-CE1 3.46Å; A290-Y306 VanDerWaalsContact CB-CE1 3.46Å; A290-Y306 HydrophobicContact CB-CE2 3.54Å; A290-Y306 HydrophobicContact CB-CG 3.84Å |
| 291 | N | 93.3 | Very high | 91.5 | Very high | 38 Ų | 38 | 48.7 Ų | 48.7 | 20% | 0.203 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.6 | -49.6 | 172.5 | -71 | -32.9 | 0 | 0 | 0 | 111.2 | C287 N288 L289 K294 E295 Y306 N322 | C287-N291 PolarHBondContact O-N 3.35Å; C287-N291 PolarHBondContact O-ND2 2.61Å; N288-N291 WeakPolarHBondContact O-CB 3.4Å; N288-N291 PolarHBondContact O-N 2.93Å; L289-N291 VanDerWaalsContact C-N 3.35Å; L289-N291 PolarHBondContact O-N 3.09Å; N291-K294 PolarHBondContact O-N 3.48Å; N291-E295 PolarHBondContact O-N 3.12Å; N291-Y306 PolarHBondContact N-OH 3.14Å; N291-Y306 PolarHBondContact OD1-OH 3.19Å; N291-N322 PolarHBondContact OD1-ND2 2.68Å |
| 292 | A | 93.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.2 | -41 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | Y260 I265 I269 Y272 N288 L289 E295 K296 | Y260-A292 HydrophobicContact CD2-CB 3.8Å; Y260-A292 HydrophobicContact CE2-CB 4.06Å; I265-A292 HydrophobicContact CG2-CB 4.39Å; I265-A292 WeakPolarHBondContact CG2-O 3.18Å; I269-A292 HydrophobicContact CD1-CB 4.45Å; I269-A292 HydrophobicContact CG1-CB 3.75Å; Y272-A292 HydrophobicContact CE2-CB 4.47Å; N288-A292 PolarHBondContact O-N 2.93Å; N288-A292 VanDerWaalsContact O-N 3.11Å; L289-A292 PolarHBondContact O-N 3.35Å; A292-E295 PolarHBondContact O-N 3.49Å; A292-K296 PolarHBondContact O-N 3.49Å; A292-K296 VanDerWaalsContact O-N 3.07Å |
| 293 | L | 92.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.6 | -39.9 | 175.5 | -74.7 | 169.1 | 0 | 0 | 0 | 112.2 | I269 L289 A290 K296 G297 N298 E301 A302 | I269-L293 HydrophobicContact CD1-CD2 3.99Å; I269-L293 HydrophobicContact CD1-CG 4.48Å; I269-L293 HydrophobicContact CG1-CD2 4.38Å; I269-L293 HydrophobicContact CG2-CD2 4.41Å; L289-L293 HydrophobicContact CD1-CD1 4Å; L289-L293 HydrophobicContact CD1-CG 4.04Å; L289-L293 HydrophobicContact CD2-CD1 4.48Å; L289-L293 HydrophobicContact CG-CD1 3.82Å; L289-L293 HydrophobicContact CG-CG 4.33Å; L289-L293 WeakPolarHBondContact O-CB 3.49Å; L289-L293 WeakPolarHBondContact O-CG 3.41Å; L289-L293 PolarHBondContact O-N 3.28Å; A290-L293 PolarHBondContact O-N 2.93Å; L293-K296 PolarHBondContact O-N 3.23Å; L293-G297 PolarHBondContact O-N 2.88Å; L293-N298 HydrophobicContact CB-CB 4.38Å; L293-N298 HydrophobicContact CD2-CB 4.15Å; L293-N298 PolarHBondContact O-N 2.88Å; L293-E301 HydrophobicContact CD1-CB 4.03Å; L293-E301 HydrophobicContact CD1-CG 3.71Å; L293-E301 HydrophobicContact CD2-CG 4.47Å; L293-E301 WeakPolarHBondContact CD2-OE2 3.43Å; L293-A302 HydrophobicContact CB-CB 3.95Å |
| 294 | K | 88.8 | Confident | 91.8 | Very high | 57 Ų | 57 | 46.9 Ų | 46.9 | 25% | 0.248 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 175.5 | -175.9 | -172.9 | 174.8 | -177.3 | 0 | 110.7 | A290 N291 K296 G297 A302 I326 E329 | A290-K294 WeakPolarHBondContact O-CB 3.14Å; A290-K294 PolarHBondContact O-N 3.13Å; N291-K294 PolarHBondContact O-N 3.48Å; K294-K296 VanDerWaalsContact C-N 3.27Å; K294-K296 PolarHBondContact O-N 3.17Å; K294-G297 WeakPolarHBondContact O-CA 3.21Å; K294-G297 PolarHBondContact O-N 3.14Å; K294-A302 HydrophobicContact CB-CB 4.14Å; K294-I326 HydrophobicContact CD-CD1 4.48Å; K294-I326 HydrophobicContact CD-CG1 4.25Å; K294-E329 WeakPolarHBondContact CE-OE2 3.4Å; K294-E329 VanDerWaalsContact NZ-CD 3.34Å; K294-E329 IonicContact NZ-OE1 3.3Å; K294-E329 PolarHBondContact NZ-OE1 2.82Å; K294-E329 IonicContact NZ-OE2 3.59Å; K294-E329 PolarHBondContact NZ-OE2 3.21Å; K294-E329 VanDerWaalsContact NZ-OE2 3.14Å |
| 295 | E | 88.4 | Confident | 92 | Very high | 110 Ų | 110 | 43.7 Ų | 43.7 | 51% | 0.514 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.3 | -34.1 | 179 | -170.8 | 165.9 | 168.2 | 0 | 0 | 112.7 | Y260 I265 N291 A292 G297 | Y260-E295 WeakPolarHBondContact CE2-OE2 3.26Å; Y260-E295 PolarHBondContact OH-OE2 2.98Å; I265-E295 HydrophobicContact CD1-CG 4.33Å; N291-E295 PolarHBondContact O-N 3.12Å; A292-E295 PolarHBondContact O-N 3.49Å; E295-G297 PolarHBondContact O-N 2.94Å |
| 296 | K | 89.5 | Confident | 92.1 | Very high | 103 Ų | 103 | 43.7 Ų | 43.7 | 45% | 0.448 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -69.9 | -14.8 | 171.2 | -170.6 | 169.5 | 176.1 | 173.4 | 0 | 113.8 | I265 D266 I269 A292 L293 K294 | I265-K296 HydrophobicContact CG2-CB 4.11Å; D266-K296 VanDerWaalsContact OD1-CE 3.29Å; D266-K296 WeakPolarHBondContact OD1-CE 3.45Å; D266-K296 IonicContact OD1-NZ 3.69Å; D266-K296 PolarHBondContact OD1-NZ 2.74Å; I269-K296 HydrophobicContact CD1-CB 4.32Å; I269-K296 HydrophobicContact CD1-CD 3.59Å; A292-K296 PolarHBondContact O-N 3.49Å; A292-K296 VanDerWaalsContact O-N 3.07Å; L293-K296 PolarHBondContact O-N 3.23Å; K294-K296 VanDerWaalsContact C-N 3.27Å; K294-K296 PolarHBondContact O-N 3.17Å |
| 297 | G | 85.7 | Confident | 92.1 | Very high | 50 Ų | 50 | 44.4 Ų | 44.4 | 52% | 0.515 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.8 | 2.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L293 K294 E295 V299 | L293-G297 PolarHBondContact O-N 2.88Å; K294-G297 WeakPolarHBondContact O-CA 3.21Å; K294-G297 PolarHBondContact O-N 3.14Å; E295-G297 PolarHBondContact O-N 2.94Å; G297-V299 VanDerWaalsContact C-N 3.27Å; G297-V299 PolarHBondContact O-N 3.16Å |
| 298 | N | 90.8 | Very high | 92.1 | Very high | 70 Ų | 70 | 45.5 Ų | 45.5 | 37% | 0.374 | 25% | 0.248 | S | C | . | . | trans | -84.2 | 63.7 | 178.5 | -74 | -0.2 | 0 | 0 | 0 | 111.4 | L293 S300 E301 A302 | L293-N298 HydrophobicContact CB-CB 4.38Å; L293-N298 HydrophobicContact CD2-CB 4.15Å; L293-N298 PolarHBondContact O-N 2.88Å; N298-S300 VanDerWaalsContact C-N 3.35Å; N298-S300 PolarHBondContact O-N 3.04Å; N298-E301 HydrophobicContact CB-CB 4.47Å; N298-E301 PolarHBondContact O-N 3.19Å; N298-A302 PolarHBondContact O-N 2.87Å; N298-A302 VanDerWaalsContact O-N 3.09Å | ||
| 299 | V | 89.1 | Confident | 92.1 | Very high | 49 Ų | 49 | 43.1 Ų | 43.1 | 30% | 0.297 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.1 | -38.6 | -171.4 | -177.9 | 0 | 0 | 0 | 0 | 113.1 | G297 E301 A302 E303 I326 | G297-V299 VanDerWaalsContact C-N 3.27Å; G297-V299 PolarHBondContact O-N 3.16Å; V299-E301 PolarHBondContact O-N 3.25Å; V299-A302 PolarHBondContact O-N 3.45Å; V299-E303 PolarHBondContact O-N 3.42Å; V299-I326 HydrophobicContact CG1-CD1 4.27Å; V299-I326 HydrophobicContact CG1-CG1 4.48Å; V299-I326 HydrophobicContact CG1-CG2 3.86Å |
| 300 | S | 88.1 | Confident | 92 | Very high | 103 Ų | 103 | 43.9 Ų | 43.9 | 72% | 0.72 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -64 | -41 | -179.4 | -172.2 | 0 | 0 | 0 | 0 | 112.5 | N298 E303 E304 | N298-S300 VanDerWaalsContact C-N 3.35Å; N298-S300 PolarHBondContact O-N 3.04Å; S300-E303 PolarHBondContact O-N 3.2Å; S300-E304 PolarHBondContact O-N 2.89Å |
| 301 | E | 92.4 | Very high | 92.1 | Very high | 62 Ų | 62 | 51.8 Ų | 51.8 | 29% | 0.29 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -73.6 | -36.1 | 179.5 | -163 | -175.6 | 173.1 | 0 | 0 | 110.7 | R273 L293 N298 V299 E304 C305 | R273-E301 IonicContact CZ-OE1 3.04Å; R273-E301 IonicContact NH2-OE1 3.7Å; R273-E301 PolarHBondContact NH2-OE1 2.95Å; R273-E301 IonicContact NH2-OE2 2.69Å; L293-E301 HydrophobicContact CD1-CB 4.03Å; L293-E301 HydrophobicContact CD1-CG 3.71Å; L293-E301 HydrophobicContact CD2-CG 4.47Å; L293-E301 WeakPolarHBondContact CD2-OE2 3.43Å; N298-E301 HydrophobicContact CB-CB 4.47Å; N298-E301 PolarHBondContact O-N 3.19Å; V299-E301 PolarHBondContact O-N 3.25Å; E301-E304 PolarHBondContact O-N 3.37Å; E301-C305 PolarHBondContact O-N 3.26Å; E301-C305 PolarHBondContact O-SG 2.83Å |
| 302 | A | 93 | Very high | 92.1 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A290 L293 K294 N298 V299 E304 C305 Y306 I326 | A290-A302 HydrophobicContact CB-CB 4.27Å; A290-A302 WeakPolarHBondContact CB-O 3.49Å; A290-A302 VanDerWaalsContact O-CB 3.29Å; A290-A302 WeakPolarHBondContact O-CB 3.43Å; L293-A302 HydrophobicContact CB-CB 3.95Å; K294-A302 HydrophobicContact CB-CB 4.14Å; N298-A302 PolarHBondContact O-N 2.87Å; N298-A302 VanDerWaalsContact O-N 3.09Å; V299-A302 PolarHBondContact O-N 3.45Å; A302-E304 PolarHBondContact O-N 2.83Å; A302-C305 WeakPolarHBondContact O-CB 3.33Å; A302-C305 PolarHBondContact O-N 2.87Å; A302-Y306 HydrophobicContact CB-CE2 4.43Å; A302-Y306 WeakPolarHBondContact O-CD2 3.31Å; A302-Y306 PolarHBondContact O-N 3.35Å; A302-I326 HydrophobicContact CB-CD1 4.23Å |
| 303 | E | 92.6 | Very high | 92.1 | Very high | 37 Ų | 37 | 54.3 Ų | 54.3 | 17% | 0.173 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 176.9 | -170.5 | 176.1 | 160.8 | 0 | 0 | 112 | V299 S300 C305 Y306 N307 L323 K327 Q330 | V299-E303 PolarHBondContact O-N 3.42Å; S300-E303 PolarHBondContact O-N 3.2Å; E303-C305 VanDerWaalsContact C-N 3.33Å; E303-C305 PolarHBondContact O-N 2.98Å; E303-Y306 PolarHBondContact O-N 3.23Å; E303-N307 WeakPolarHBondContact O-CB 3.39Å; E303-N307 PolarHBondContact O-N 3.31Å; E303-N307 PolarHBondContact O-ND2 3.4Å; E303-L323 HydrophobicContact CG-CD1 3.7Å; E303-K327 VanDerWaalsContact OE1-CE 3.32Å; E303-K327 WeakPolarHBondContact OE1-CE 3.5Å; E303-K327 IonicContact OE1-NZ 3.26Å; E303-K327 PolarHBondContact OE1-NZ 3.06Å; E303-K327 IonicContact OE2-NZ 3.9Å; E303-Q330 PolarHBondContact OE2-NE2 3.4Å |
| 304 | E | 94.1 | Very high | 92.1 | Very high | 123 Ų | 123 | 58.7 Ų | 58.7 | 58% | 0.575 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63.3 | -38.7 | 175.5 | -174.1 | 172.7 | -169.8 | 0 | 0 | 112.3 | S300 E301 A302 N307 T308 | S300-E304 PolarHBondContact O-N 2.89Å; E301-E304 PolarHBondContact O-N 3.37Å; A302-E304 PolarHBondContact O-N 2.83Å; E304-N307 PolarHBondContact O-N 3.07Å; E304-T308 WeakPolarHBondContact O-CB 3.45Å; E304-T308 PolarHBondContact O-N 3.45Å; E304-T308 PolarHBondContact O-OG1 2.98Å |
| 305 | C | 94.8 | Very high | 92.3 | Very high | 12 Ų | 12 | 60.4 Ų | 60.4 | 8% | 0.081 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.8 | -44.5 | 175.5 | -70.8 | 0 | 0 | 0 | 0 | 111.8 | A290 E301 A302 E303 T308 A309 | A290-C305 HydrophobicContact CB-CB 3.64Å; E301-C305 PolarHBondContact O-N 3.26Å; E301-C305 PolarHBondContact O-SG 2.83Å; A302-C305 WeakPolarHBondContact O-CB 3.33Å; A302-C305 PolarHBondContact O-N 2.87Å; E303-C305 VanDerWaalsContact C-N 3.33Å; E303-C305 PolarHBondContact O-N 2.98Å; C305-T308 PolarHBondContact O-N 3.18Å; C305-A309 PolarHBondContact O-N 3.05Å |
| 306 | Y | 95.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 0% | 0.004 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 173.3 | -70.5 | -55.6 | 0 | 0 | 0 | 112.2 | A290 N291 A302 E303 T308 A309 L310 N322 L323 I326 | A290-Y306 HydrophobicContact CB-CD1 3.7Å; A290-Y306 HydrophobicContact CB-CD2 3.79Å; A290-Y306 HydrophobicContact CB-CE1 3.46Å; A290-Y306 VanDerWaalsContact CB-CE1 3.46Å; A290-Y306 HydrophobicContact CB-CE2 3.54Å; A290-Y306 HydrophobicContact CB-CG 3.84Å; N291-Y306 PolarHBondContact N-OH 3.14Å; N291-Y306 PolarHBondContact OD1-OH 3.19Å; A302-Y306 HydrophobicContact CB-CE2 4.43Å; A302-Y306 WeakPolarHBondContact O-CD2 3.31Å; A302-Y306 PolarHBondContact O-N 3.35Å; E303-Y306 PolarHBondContact O-N 3.23Å; Y306-T308 VanDerWaalsContact C-N 3.25Å; Y306-T308 PolarHBondContact O-N 3.22Å; Y306-A309 WeakPolarHBondContact O-CB 3.36Å; Y306-A309 PolarHBondContact O-N 2.84Å; Y306-L310 VanDerWaalsContact O-CG 3.31Å; Y306-L310 WeakPolarHBondContact O-CG 3.25Å; Y306-L310 PolarHBondContact O-N 2.8Å; Y306-N322 HydrophobicContact CD1-CB 4.34Å; Y306-N322 HydrophobicContact CE1-CB 3.54Å; Y306-N322 HydrophobicContact CE2-CB 4.19Å; Y306-N322 VanDerWaalsContact CZ-CB 3.47Å; Y306-N322 WeakPolarHBondContact OH-CB 3.49Å; Y306-L323 HydrophobicContact CG-CB 4.43Å; Y306-I326 HydrophobicContact CD2-CD1 3.89Å; Y306-I326 HydrophobicContact CE2-CD1 3.6Å |
| 307 | N | 94.5 | Very high | 92.7 | Very high | 58 Ų | 58 | 52 Ų | 52 | 31% | 0.31 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.5 | -36.6 | 176.3 | -77.8 | -46.5 | 0 | 0 | 0 | 111.7 | E303 E304 L310 R311 | E303-N307 WeakPolarHBondContact O-CB 3.39Å; E303-N307 PolarHBondContact O-N 3.31Å; E303-N307 PolarHBondContact O-ND2 3.4Å; E304-N307 PolarHBondContact O-N 3.07Å; N307-L310 PolarHBondContact O-N 2.76Å; N307-R311 WeakPolarHBondContact O-CG 3.45Å; N307-R311 PolarHBondContact O-N 2.73Å |
| 308 | T | 94.8 | Very high | 93 | Very high | 24 Ų | 24 | 53.4 Ų | 53.4 | 15% | 0.147 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.5 | -45 | 174.9 | -56.5 | 0 | 0 | 0 | 0 | 111.6 | Y286 E304 C305 Y306 L310 R311 L312 | Y286-T308 HydrophobicContact CD1-CG2 3.94Å; Y286-T308 HydrophobicContact CD2-CG2 4.32Å; Y286-T308 HydrophobicContact CE1-CG2 3.66Å; Y286-T308 HydrophobicContact CE2-CG2 4.06Å; Y286-T308 HydrophobicContact CG-CG2 4.26Å; E304-T308 WeakPolarHBondContact O-CB 3.45Å; E304-T308 PolarHBondContact O-N 3.45Å; E304-T308 PolarHBondContact O-OG1 2.98Å; C305-T308 PolarHBondContact O-N 3.18Å; Y306-T308 VanDerWaalsContact C-N 3.25Å; Y306-T308 PolarHBondContact O-N 3.22Å; T308-L310 VanDerWaalsContact C-N 3.26Å; T308-L310 PolarHBondContact O-N 2.81Å; T308-R311 PolarHBondContact O-N 3.09Å; T308-R311 VanDerWaalsContact O-N 3.17Å; T308-R311 PolarHBondContact OG1-NH2 3.48Å; T308-L312 HydrophobicContact CG2-CD1 4.39Å; T308-L312 WeakPolarHBondContact O-CG 3Å; T308-L312 PolarHBondContact O-N 2.91Å |
| 309 | A | 94.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -55.7 | -43.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | P283 C305 Y306 L312 C313 S319 | P283-A309 HydrophobicContact CB-CB 4.49Å; C305-A309 PolarHBondContact O-N 3.05Å; Y306-A309 WeakPolarHBondContact O-CB 3.36Å; Y306-A309 PolarHBondContact O-N 2.84Å; A309-L312 PolarHBondContact O-N 3.23Å; A309-C313 PolarHBondContact O-N 3.37Å; A309-S319 WeakPolarHBondContact CB-OG 3.38Å |
| 310 | L | 93.9 | Very high | 93.4 | Very high | 23 Ų | 23 | 48.2 Ų | 48.2 | 12% | 0.12 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -73.6 | -27.8 | 178.5 | -66.3 | 172.7 | 0 | 0 | 0 | 114 | Y306 N307 T308 C313 P314 H316 L320 L323 | Y306-L310 VanDerWaalsContact O-CG 3.31Å; Y306-L310 WeakPolarHBondContact O-CG 3.25Å; Y306-L310 PolarHBondContact O-N 2.8Å; N307-L310 PolarHBondContact O-N 2.76Å; T308-L310 VanDerWaalsContact C-N 3.26Å; T308-L310 PolarHBondContact O-N 2.81Å; L310-C313 CarbonylContact O-C 3.58Å; L310-C313 VanDerWaalsContact O-C 3.3Å; L310-P314 WeakPolarHBondContact O-CA 3.43Å; L310-P314 WeakPolarHBondContact O-CD 3.4Å; L310-P314 WeakPolarHBondContact O-CG 3.47Å; L310-P314 VanDerWaalsContact O-N 3.09Å; L310-H316 HydrophobicContact CD2-CB 4.28Å; L310-L320 HydrophobicContact CD1-CD2 3.91Å; L310-L320 HydrophobicContact CD2-CD2 3.76Å; L310-L320 HydrophobicContact CD2-CG 3.67Å; L310-L320 HydrophobicContact CG-CD2 4.5Å; L310-L323 HydrophobicContact CD1-CD2 3.78Å |
| 311 | R | 95.4 | Very high | 93.8 | Very high | 167 Ų | 167 | 43.7 Ų | 43.7 | 63% | 0.63 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -67 | -39.1 | 169.5 | -79.1 | -174.4 | -67.3 | -128.1 | 3.4 | 111.6 | N307 T308 | N307-R311 WeakPolarHBondContact O-CG 3.45Å; N307-R311 PolarHBondContact O-N 2.73Å; T308-R311 PolarHBondContact O-N 3.09Å; T308-R311 VanDerWaalsContact O-N 3.17Å; T308-R311 PolarHBondContact OG1-NH2 3.48Å |
| 312 | L | 93.5 | Very high | 93.8 | Very high | 54 Ų | 54 | 42 Ų | 42 | 28% | 0.283 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -74.6 | -39.9 | 177.7 | -64.9 | 172.8 | 0 | 0 | 0 | 111.8 | P283 Y286 T308 A309 | P283-L312 HydrophobicContact CG-CB 3.93Å; Y286-L312 HydrophobicContact CD2-CD1 3.76Å; Y286-L312 HydrophobicContact CE2-CD1 3.66Å; T308-L312 HydrophobicContact CG2-CD1 4.39Å; T308-L312 WeakPolarHBondContact O-CG 3Å; T308-L312 PolarHBondContact O-N 2.91Å; A309-L312 PolarHBondContact O-N 3.23Å |
| 313 | C | 93.4 | Very high | 93.9 | Very high | 36 Ų | 36 | 42.3 Ų | 42.3 | 24% | 0.243 | 22% | 0.221 | C | C | . | . | trans | -140.2 | 93.2 | 179.2 | -174.6 | 0 | 0 | 0 | 0 | 110.3 | P283 A309 L310 T315 H316 | P283-C313 HydrophobicContact CB-CB 4.06Å; P283-C313 HydrophobicContact CG-CB 3.79Å; A309-C313 PolarHBondContact O-N 3.37Å; L310-C313 CarbonylContact O-C 3.58Å; L310-C313 VanDerWaalsContact O-C 3.3Å; C313-T315 PolarHBondContact O-N 3.19Å; C313-T315 VanDerWaalsContact O-N 3.07Å; C313-H316 HydrophobicContact CB-CB 4.16Å; C313-H316 WeakPolarHBondContact O-CB 3.35Å; C313-H316 PolarHBondContact O-N 3.47Å; C313-H316 VanDerWaalsContact O-N 3.09Å | ||
| 314 | P | 92.5 | Very high | 93.9 | Very high | 94 Ų | 94 | 40.5 Ų | 40.5 | 61% | 0.61 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -19.3 | -179.9 | -26.7 | 35.4 | 0 | 0 | 0 | 114.5 | L310 | L310-P314 WeakPolarHBondContact O-CA 3.43Å; L310-P314 WeakPolarHBondContact O-CD 3.4Å; L310-P314 WeakPolarHBondContact O-CG 3.47Å; L310-P314 VanDerWaalsContact O-N 3.09Å |
| 315 | T | 92.9 | Very high | 93.8 | Very high | 93 Ų | 93 | 35.5 Ų | 35.5 | 57% | 0.571 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 23.6 | 179.2 | 58 | 0 | 0 | 0 | 0 | 112.4 | C313 A317 V346 | C313-T315 PolarHBondContact O-N 3.19Å; C313-T315 VanDerWaalsContact O-N 3.07Å; T315-A317 PolarHBondContact O-N 3.29Å; T315-V346 HydrophobicContact CG2-CG2 4.35Å; T315-V346 WeakPolarHBondContact O-CG1 3.46Å |
| 316 | H | 93 | Very high | 93.6 | Very high | 24 Ų | 24 | 34.9 Ų | 34.9 | 11% | 0.111 | 19% | 0.186 | C | C | . | . | trans | -84.2 | 94.9 | 177.3 | -167.5 | -105.3 | 0 | 0 | 0 | 111 | D284 L310 C313 D318 S319 L320 | D284-H316 IonicContact OD1-CD2 3.74Å; D284-H316 IonicContact OD1-NE2 3.73Å; D284-H316 PolarHBondContact OD1-NE2 3.34Å; D284-H316 VanDerWaalsContact OD1-NE2 3.1Å; L310-H316 HydrophobicContact CD2-CB 4.28Å; C313-H316 HydrophobicContact CB-CB 4.16Å; C313-H316 WeakPolarHBondContact O-CB 3.35Å; C313-H316 PolarHBondContact O-N 3.47Å; C313-H316 VanDerWaalsContact O-N 3.09Å; H316-D318 PolarHBondContact O-N 3.37Å; H316-S319 PolarHBondContact CE1-OG 3.48Å; H316-S319 WeakPolarHBondContact ND1-CB 3.48Å; H316-S319 PolarHBondContact ND1-N 2.87Å; H316-S319 PolarHBondContact ND1-OG 3.43Å; H316-S319 PolarHBondContact O-N 2.69Å; H316-L320 PolarHBondContact O-N 2.83Å; H316-L320 VanDerWaalsContact O-N 3.16Å | ||
| 317 | A | 92 | Very high | 93.3 | Very high | 12 Ų | 12 | 35.8 Ų | 35.8 | 10% | 0.099 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.8 | -42 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | T315 S319 L320 N321 V346 F347 F350 | T315-A317 PolarHBondContact O-N 3.29Å; A317-S319 PolarHBondContact O-N 3.13Å; A317-L320 PolarHBondContact O-N 3.12Å; A317-N321 PolarHBondContact O-N 2.85Å; A317-V346 HydrophobicContact CB-CG1 4.25Å; A317-F347 HydrophobicContact CB-CB 3.91Å; A317-F350 HydrophobicContact CB-CD1 4.26Å; A317-F350 HydrophobicContact CB-CE1 4.3Å |
| 318 | D | 92.5 | Very high | 92.8 | Very high | 80 Ų | 80 | 35.8 Ų | 35.8 | 43% | 0.428 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.7 | -41.4 | 179.2 | -68.6 | -72.1 | 0 | 0 | 0 | 112.3 | H316 N321 N322 F350 | H316-D318 PolarHBondContact O-N 3.37Å; D318-N321 PolarHBondContact O-N 2.85Å; D318-N322 WeakPolarHBondContact O-CB 3.23Å; D318-N322 VanDerWaalsContact O-CG 3.26Å; D318-N322 PolarHBondContact O-N 3.09Å; D318-F350 WeakPolarHBondContact OD1-CZ 3.25Å |
| 319 | S | 93.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.2 | -37 | 175.7 | -66.3 | 0 | 0 | 0 | 0 | 112.3 | C287 A309 H316 A317 L323 | C287-S319 WeakPolarHBondContact CB-OG 3.43Å; C287-S319 PolarHBondContact SG-OG 3.36Å; A309-S319 WeakPolarHBondContact CB-OG 3.38Å; H316-S319 PolarHBondContact CE1-OG 3.48Å; H316-S319 WeakPolarHBondContact ND1-CB 3.48Å; H316-S319 PolarHBondContact ND1-N 2.87Å; H316-S319 PolarHBondContact ND1-OG 3.43Å; H316-S319 PolarHBondContact O-N 2.69Å; A317-S319 PolarHBondContact O-N 3.13Å; S319-L323 WeakPolarHBondContact O-CB 3.4Å; S319-L323 PolarHBondContact O-N 3.04Å |
| 320 | L | 95.9 | Very high | 91.6 | Very high | 10 Ų | 10 | 43.9 Ų | 43.9 | 5% | 0.052 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62 | -48.3 | 173.9 | -70.5 | 169.2 | 0 | 0 | 0 | 111.2 | L310 H316 A317 A324 L339 K342 A343 V346 | L310-L320 HydrophobicContact CD1-CD2 3.91Å; L310-L320 HydrophobicContact CD2-CD2 3.76Å; L310-L320 HydrophobicContact CD2-CG 3.67Å; L310-L320 HydrophobicContact CG-CD2 4.5Å; H316-L320 PolarHBondContact O-N 2.83Å; H316-L320 VanDerWaalsContact O-N 3.16Å; A317-L320 PolarHBondContact O-N 3.12Å; L320-A324 WeakPolarHBondContact O-CB 3.26Å; L320-A324 PolarHBondContact O-N 3.27Å; L320-L339 HydrophobicContact CD2-CD2 3.96Å; L320-K342 HydrophobicContact CD1-CB 4.08Å; L320-K342 HydrophobicContact CD2-CB 4.35Å; L320-A343 HydrophobicContact CB-CB 3.74Å; L320-A343 HydrophobicContact CD1-CB 4.47Å; L320-V346 HydrophobicContact CD1-CG2 4.24Å |
| 321 | N | 94.5 | Very high | 90.7 | Very high | 7 Ų | 7 | 45 Ų | 45 | 4% | 0.037 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.5 | -42.9 | 178.6 | 172.6 | 79.8 | 0 | 0 | 0 | 112.4 | A317 D318 A324 N325 Y340 A343 F350 A353 N356 | A317-N321 PolarHBondContact O-N 2.85Å; D318-N321 PolarHBondContact O-N 2.85Å; N321-A324 WeakPolarHBondContact O-CB 3.18Å; N321-A324 PolarHBondContact O-N 3.37Å; N321-N325 PolarHBondContact O-N 3.15Å; N321-N325 PolarHBondContact O-ND2 3.37Å; N321-Y340 WeakPolarHBondContact OD1-CE1 3.38Å; N321-A343 HydrophobicContact CB-CB 4.41Å; N321-F350 HydrophobicContact CB-CD1 4.42Å; N321-F350 HydrophobicContact CB-CE1 3.58Å; N321-F350 HydrophobicContact CB-CZ 4.03Å; N321-A353 HydrophobicContact CB-CB 4.45Å; N321-A353 WeakPolarHBondContact OD1-CA 3.37Å; N321-N356 PolarHBondContact OD1-ND2 2.98Å |
| 322 | N | 93.8 | Very high | 90.1 | Very high | 28 Ų | 28 | 40.5 Ų | 40.5 | 15% | 0.15 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -75.2 | -34.6 | -177.4 | -67.9 | -9.4 | 0 | 0 | 0 | 112.5 | N291 Y306 D318 A324 N325 I326 | N291-N322 PolarHBondContact OD1-ND2 2.68Å; Y306-N322 HydrophobicContact CD1-CB 4.34Å; Y306-N322 HydrophobicContact CE1-CB 3.54Å; Y306-N322 HydrophobicContact CE2-CB 4.19Å; Y306-N322 VanDerWaalsContact CZ-CB 3.47Å; Y306-N322 WeakPolarHBondContact OH-CB 3.49Å; D318-N322 WeakPolarHBondContact O-CB 3.23Å; D318-N322 VanDerWaalsContact O-CG 3.26Å; D318-N322 PolarHBondContact O-N 3.09Å; N322-A324 VanDerWaalsContact C-N 3.33Å; N322-N325 WeakPolarHBondContact O-CB 3.34Å; N322-N325 PolarHBondContact O-N 3.17Å; N322-I326 PolarHBondContact O-N 3.15Å; N322-I326 VanDerWaalsContact O-N 3.15Å |
| 323 | L | 94.1 | Very high | 89.6 | Confident | 5 Ų | 5 | 39.7 Ų | 39.7 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.4 | -41 | 169.2 | -176.8 | 61.2 | 0 | 0 | 0 | 110.9 | E303 Y306 L310 S319 N325 I326 K327 L339 | E303-L323 HydrophobicContact CG-CD1 3.7Å; Y306-L323 HydrophobicContact CG-CB 4.43Å; L310-L323 HydrophobicContact CD1-CD2 3.78Å; S319-L323 WeakPolarHBondContact O-CB 3.4Å; S319-L323 PolarHBondContact O-N 3.04Å; L323-N325 VanDerWaalsContact C-N 3.3Å; L323-N325 PolarHBondContact O-N 3.44Å; L323-I326 PolarHBondContact O-N 2.84Å; L323-I326 VanDerWaalsContact O-N 3.12Å; L323-K327 WeakPolarHBondContact O-CG 3.28Å; L323-K327 PolarHBondContact O-N 3.21Å; L323-L339 HydrophobicContact CB-CD1 4.23Å; L323-L339 HydrophobicContact CD2-CD1 3.91Å; L323-L339 HydrophobicContact CD2-CD2 4.26Å; L323-L339 HydrophobicContact CG-CD1 3.71Å |
| 324 | A | 93.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.1 | -40.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | L320 N321 N322 I326 K327 R328 A336 L339 Y340 | L320-A324 WeakPolarHBondContact O-CB 3.26Å; L320-A324 PolarHBondContact O-N 3.27Å; N321-A324 WeakPolarHBondContact O-CB 3.18Å; N321-A324 PolarHBondContact O-N 3.37Å; N322-A324 VanDerWaalsContact C-N 3.33Å; A324-I326 VanDerWaalsContact C-N 3.34Å; A324-I326 PolarHBondContact O-N 3.48Å; A324-K327 PolarHBondContact O-N 3.21Å; A324-R328 WeakPolarHBondContact O-CB 3.46Å; A324-R328 PolarHBondContact O-N 2.75Å; A324-A336 WeakPolarHBondContact O-CB 3.41Å; A324-L339 HydrophobicContact CB-CB 3.6Å; A324-L339 HydrophobicContact CB-CD1 4.37Å; A324-Y340 HydrophobicContact CB-CD1 3.52Å; A324-Y340 HydrophobicContact CB-CD2 3.92Å; A324-Y340 HydrophobicContact CB-CE1 3.38Å; A324-Y340 HydrophobicContact CB-CE2 3.79Å; A324-Y340 HydrophobicContact CB-CG 3.77Å |
| 325 | N | 91.9 | Very high | 89 | Confident | 17 Ų | 17 | 42.9 Ų | 42.9 | 9% | 0.091 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60 | -42.2 | 174.1 | -67.8 | -32.2 | 0 | 0 | 0 | 111.9 | N321 N322 L323 R328 E329 Y340 N356 | N321-N325 PolarHBondContact O-N 3.15Å; N321-N325 PolarHBondContact O-ND2 3.37Å; N322-N325 WeakPolarHBondContact O-CB 3.34Å; N322-N325 PolarHBondContact O-N 3.17Å; L323-N325 VanDerWaalsContact C-N 3.3Å; L323-N325 PolarHBondContact O-N 3.44Å; N325-R328 PolarHBondContact O-N 3.02Å; N325-E329 WeakPolarHBondContact O-CG 3.4Å; N325-E329 PolarHBondContact O-N 3.25Å; N325-Y340 WeakPolarHBondContact CA-OH 3.44Å; N325-Y340 PolarHBondContact N-OH 3.35Å; N325-Y340 PolarHBondContact OD1-OH 2.97Å; N325-N356 PolarHBondContact OD1-ND2 3.48Å |
| 326 | I | 89.7 | Confident | 88.9 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.2 | -47.4 | 175.1 | -72 | -178.6 | 0 | 0 | 0 | 110.8 | K294 V299 A302 Y306 N322 L323 A324 R328 E329 Q330 | K294-I326 HydrophobicContact CD-CD1 4.48Å; K294-I326 HydrophobicContact CD-CG1 4.25Å; V299-I326 HydrophobicContact CG1-CD1 4.27Å; V299-I326 HydrophobicContact CG1-CG1 4.48Å; V299-I326 HydrophobicContact CG1-CG2 3.86Å; A302-I326 HydrophobicContact CB-CD1 4.23Å; Y306-I326 HydrophobicContact CD2-CD1 3.89Å; Y306-I326 HydrophobicContact CE2-CD1 3.6Å; N322-I326 PolarHBondContact O-N 3.15Å; N322-I326 VanDerWaalsContact O-N 3.15Å; L323-I326 PolarHBondContact O-N 2.84Å; L323-I326 VanDerWaalsContact O-N 3.12Å; A324-I326 VanDerWaalsContact C-N 3.34Å; A324-I326 PolarHBondContact O-N 3.48Å; I326-R328 VanDerWaalsContact C-N 3.27Å; I326-R328 PolarHBondContact O-N 3.2Å; I326-E329 PolarHBondContact O-N 2.74Å; I326-E329 VanDerWaalsContact O-N 3.12Å; I326-Q330 HydrophobicContact CG2-CG 4.27Å; I326-Q330 WeakPolarHBondContact O-CG 3.24Å; I326-Q330 PolarHBondContact O-N 3.14Å |
| 327 | K | 88.3 | Confident | 88.9 | Confident | 19 Ų | 19 | 37.7 Ų | 37.7 | 8% | 0.083 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.7 | -39.1 | 178.1 | -67 | -55.4 | -176.9 | -179.9 | 0 | 112 | E303 L323 A324 Q330 G331 N332 E335 A336 L339 | E303-K327 VanDerWaalsContact OE1-CE 3.32Å; E303-K327 WeakPolarHBondContact OE1-CE 3.5Å; E303-K327 IonicContact OE1-NZ 3.26Å; E303-K327 PolarHBondContact OE1-NZ 3.06Å; E303-K327 IonicContact OE2-NZ 3.9Å; L323-K327 WeakPolarHBondContact O-CG 3.28Å; L323-K327 PolarHBondContact O-N 3.21Å; A324-K327 PolarHBondContact O-N 3.21Å; K327-Q330 PolarHBondContact O-N 3.14Å; K327-G331 PolarHBondContact O-N 2.69Å; K327-N332 HydrophobicContact CB-CB 4.27Å; K327-N332 HydrophobicContact CD-CB 4.39Å; K327-N332 WeakPolarHBondContact O-CA 3.37Å; K327-N332 PolarHBondContact O-N 2.69Å; K327-E335 HydrophobicContact CD-CG 4.48Å; K327-E335 VanDerWaalsContact CD-OE2 3.27Å; K327-E335 WeakPolarHBondContact CD-OE2 3.23Å; K327-E335 WeakPolarHBondContact CE-OE1 3.13Å; K327-E335 VanDerWaalsContact CE-OE2 3.27Å; K327-E335 WeakPolarHBondContact CE-OE2 3.18Å; K327-E335 HydrophobicContact CG-CG 4.2Å; K327-E335 IonicContact NZ-OE1 3.05Å; K327-E335 IonicContact NZ-OE2 2.64Å; K327-A336 HydrophobicContact CB-CB 3.98Å; K327-L339 HydrophobicContact CG-CD1 3.91Å |
| 328 | R | 85.7 | Confident | 89 | Confident | 59 Ų | 59 | 42.6 Ų | 42.6 | 22% | 0.223 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61 | -48.7 | 172.7 | -176.3 | -174.6 | 71.8 | -171 | 0.6 | 111.6 | A324 N325 I326 Q330 G331 I333 A336 V360 | A324-R328 WeakPolarHBondContact O-CB 3.46Å; A324-R328 PolarHBondContact O-N 2.75Å; N325-R328 PolarHBondContact O-N 3.02Å; I326-R328 VanDerWaalsContact C-N 3.27Å; I326-R328 PolarHBondContact O-N 3.2Å; R328-Q330 VanDerWaalsContact C-N 3.26Å; R328-Q330 PolarHBondContact O-N 3Å; R328-G331 PolarHBondContact O-N 3.13Å; R328-I333 HydrophobicContact CG-CD1 4.34Å; R328-A336 HydrophobicContact CB-CB 4.02Å; R328-V360 HydrophobicContact CG-CG2 3.91Å |
| 329 | E | 80.7 | Confident | 89.2 | Confident | 112 Ų | 112 | 39.6 Ų | 39.6 | 52% | 0.523 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.6 | -30.7 | 178.2 | -73.7 | 164.7 | -163.3 | 0 | 0 | 112.6 | K294 N325 I326 G331 | K294-E329 WeakPolarHBondContact CE-OE2 3.4Å; K294-E329 VanDerWaalsContact NZ-CD 3.34Å; K294-E329 IonicContact NZ-OE1 3.3Å; K294-E329 PolarHBondContact NZ-OE1 2.82Å; K294-E329 IonicContact NZ-OE2 3.59Å; K294-E329 PolarHBondContact NZ-OE2 3.21Å; K294-E329 VanDerWaalsContact NZ-OE2 3.14Å; N325-E329 WeakPolarHBondContact O-CG 3.4Å; N325-E329 PolarHBondContact O-N 3.25Å; I326-E329 PolarHBondContact O-N 2.74Å; I326-E329 VanDerWaalsContact O-N 3.12Å; E329-G331 VanDerWaalsContact C-N 3.28Å; E329-G331 PolarHBondContact O-N 2.81Å |
| 330 | Q | 81.6 | Confident | 89.3 | Confident | 81 Ų | 81 | 39.6 Ų | 39.6 | 38% | 0.379 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -7.9 | 173 | -69.7 | 172.4 | -7.4 | 0 | 0 | 113.7 | E303 I326 K327 R328 N332 | E303-Q330 PolarHBondContact OE2-NE2 3.4Å; I326-Q330 HydrophobicContact CG2-CG 4.27Å; I326-Q330 WeakPolarHBondContact O-CG 3.24Å; I326-Q330 PolarHBondContact O-N 3.14Å; K327-Q330 PolarHBondContact O-N 3.14Å; R328-Q330 VanDerWaalsContact C-N 3.26Å; R328-Q330 PolarHBondContact O-N 3Å; Q330-N332 PolarHBondContact OE1-ND2 3.26Å |
| 331 | G | 75.1 | Confident | 89.3 | Confident | 48 Ų | 48 | 44.3 Ų | 44.3 | 50% | 0.495 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | 5.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | K327 R328 E329 I333 | K327-G331 PolarHBondContact O-N 2.69Å; R328-G331 PolarHBondContact O-N 3.13Å; E329-G331 VanDerWaalsContact C-N 3.28Å; E329-G331 PolarHBondContact O-N 2.81Å; G331-I333 VanDerWaalsContact C-N 3.25Å; G331-I333 PolarHBondContact O-N 3.18Å |
| 332 | N | 82.8 | Confident | 89.3 | Confident | 72 Ų | 72 | 49 Ų | 49 | 39% | 0.385 | 24% | 0.238 | S | C | . | . | trans | -82.8 | 68.3 | 175.7 | -64.6 | -38.5 | 0 | 0 | 0 | 110.3 | K327 Q330 E334 E335 A336 | K327-N332 HydrophobicContact CB-CB 4.27Å; K327-N332 HydrophobicContact CD-CB 4.39Å; K327-N332 WeakPolarHBondContact O-CA 3.37Å; K327-N332 PolarHBondContact O-N 2.69Å; Q330-N332 PolarHBondContact OE1-ND2 3.26Å; N332-E334 PolarHBondContact O-N 2.92Å; N332-E335 HydrophobicContact CB-CB 4.37Å; N332-E335 PolarHBondContact O-N 2.62Å; N332-A336 PolarHBondContact O-N 3.32Å; N332-A336 VanDerWaalsContact O-N 3.07Å | ||
| 333 | I | 82.8 | Confident | 89.4 | Confident | 37 Ų | 37 | 47.6 Ų | 47.6 | 19% | 0.19 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.4 | -42.3 | -167.9 | -56.7 | -54.7 | 0 | 0 | 0 | 112.5 | R328 G331 E335 A336 V337 V360 Q364 | R328-I333 HydrophobicContact CG-CD1 4.34Å; G331-I333 VanDerWaalsContact C-N 3.25Å; G331-I333 PolarHBondContact O-N 3.18Å; I333-E335 VanDerWaalsContact C-N 3.35Å; I333-E335 PolarHBondContact O-N 3.05Å; I333-A336 WeakPolarHBondContact O-CB 3.26Å; I333-A336 PolarHBondContact O-N 2.96Å; I333-V337 WeakPolarHBondContact O-CG2 3.44Å; I333-V337 PolarHBondContact O-N 3.24Å; I333-V360 HydrophobicContact CG2-CG1 3.47Å; I333-V360 VanDerWaalsContact CG2-CG1 3.47Å; I333-Q364 HydrophobicContact CG2-CG 4.36Å |
| 334 | E | 85.2 | Confident | 89.4 | Confident | 115 Ų | 115 | 48.3 Ų | 48.3 | 54% | 0.537 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63 | -42.5 | -179 | -70.9 | 66.9 | -149 | 0 | 0 | 111.7 | N332 V337 Q338 | N332-E334 PolarHBondContact O-N 2.92Å; E334-V337 PolarHBondContact O-N 3.38Å; E334-Q338 WeakPolarHBondContact O-CG 3.49Å; E334-Q338 PolarHBondContact O-N 3.07Å; E334-Q338 VanDerWaalsContact O-N 3.1Å |
| 335 | E | 88.8 | Confident | 89.5 | Confident | 81 Ų | 81 | 55.6 Ų | 55.6 | 38% | 0.379 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.8 | -42.6 | 177.2 | -167.9 | 178.8 | -173 | 0 | 0 | 110.7 | K327 N332 I333 V337 Q338 L339 | K327-E335 HydrophobicContact CD-CG 4.48Å; K327-E335 VanDerWaalsContact CD-OE2 3.27Å; K327-E335 WeakPolarHBondContact CD-OE2 3.23Å; K327-E335 WeakPolarHBondContact CE-OE1 3.13Å; K327-E335 VanDerWaalsContact CE-OE2 3.27Å; K327-E335 WeakPolarHBondContact CE-OE2 3.18Å; K327-E335 HydrophobicContact CG-CG 4.2Å; K327-E335 IonicContact NZ-OE1 3.05Å; K327-E335 IonicContact NZ-OE2 2.64Å; N332-E335 HydrophobicContact CB-CB 4.37Å; N332-E335 PolarHBondContact O-N 2.62Å; I333-E335 VanDerWaalsContact C-N 3.35Å; I333-E335 PolarHBondContact O-N 3.05Å; E335-V337 PolarHBondContact O-N 3.45Å; E335-Q338 PolarHBondContact O-N 2.94Å; E335-L339 HydrophobicContact CG-CD1 4.34Å; E335-L339 WeakPolarHBondContact O-CG 3.17Å; E335-L339 PolarHBondContact O-N 2.89Å |
| 336 | A | 92.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.1 | -46.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | A324 K327 R328 N332 I333 Q338 L339 Y340 | A324-A336 WeakPolarHBondContact O-CB 3.41Å; K327-A336 HydrophobicContact CB-CB 3.98Å; R328-A336 HydrophobicContact CB-CB 4.02Å; N332-A336 PolarHBondContact O-N 3.32Å; N332-A336 VanDerWaalsContact O-N 3.07Å; I333-A336 WeakPolarHBondContact O-CB 3.26Å; I333-A336 PolarHBondContact O-N 2.96Å; A336-Q338 VanDerWaalsContact C-N 3.33Å; A336-Q338 PolarHBondContact O-N 3.09Å; A336-L339 PolarHBondContact O-N 2.56Å; A336-Y340 HydrophobicContact CB-CE2 4.18Å; A336-Y340 WeakPolarHBondContact O-CD2 2.94Å; A336-Y340 PolarHBondContact O-N 3.21Å |
| 337 | V | 92.3 | Very high | 89.9 | Confident | 8 Ų | 8 | 62.1 Ų | 62.1 | 5% | 0.048 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 177.4 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | I333 E334 E335 R341 L357 V360 | I333-V337 WeakPolarHBondContact O-CG2 3.44Å; I333-V337 PolarHBondContact O-N 3.24Å; E334-V337 PolarHBondContact O-N 3.38Å; E335-V337 PolarHBondContact O-N 3.45Å; V337-R341 WeakPolarHBondContact O-CG 3.49Å; V337-R341 PolarHBondContact O-N 2.86Å; V337-L357 HydrophobicContact CB-CD1 4.44Å; V337-L357 HydrophobicContact CG1-CD1 4Å; V337-L357 HydrophobicContact CG2-CD1 4.3Å; V337-V360 HydrophobicContact CG2-CB 4.4Å; V337-V360 HydrophobicContact CG2-CG1 3.52Å |
| 338 | Q | 93.9 | Very high | 90.1 | Very high | 116 Ų | 116 | 65.1 Ų | 65.1 | 54% | 0.542 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 176.8 | -71.1 | 178.4 | 10.8 | 0 | 0 | 111.7 | E334 E335 A336 R341 K342 | E334-Q338 WeakPolarHBondContact O-CG 3.49Å; E334-Q338 PolarHBondContact O-N 3.07Å; E334-Q338 VanDerWaalsContact O-N 3.1Å; E335-Q338 PolarHBondContact O-N 2.94Å; A336-Q338 VanDerWaalsContact C-N 3.33Å; A336-Q338 PolarHBondContact O-N 3.09Å; Q338-R341 PolarHBondContact O-N 3.41Å; Q338-K342 WeakPolarHBondContact O-CG 3.36Å; Q338-K342 PolarHBondContact O-N 2.75Å |
| 339 | L | 95.7 | Very high | 90.6 | Very high | 17 Ų | 17 | 67.7 Ų | 67.7 | 9% | 0.089 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.3 | -41.8 | 178.7 | -71.1 | 171.4 | 0 | 0 | 0 | 112.4 | L320 L323 A324 K327 E335 A336 R341 K342 A343 | L320-L339 HydrophobicContact CD2-CD2 3.96Å; L323-L339 HydrophobicContact CB-CD1 4.23Å; L323-L339 HydrophobicContact CD2-CD1 3.91Å; L323-L339 HydrophobicContact CD2-CD2 4.26Å; L323-L339 HydrophobicContact CG-CD1 3.71Å; A324-L339 HydrophobicContact CB-CB 3.6Å; A324-L339 HydrophobicContact CB-CD1 4.37Å; K327-L339 HydrophobicContact CG-CD1 3.91Å; E335-L339 HydrophobicContact CG-CD1 4.34Å; E335-L339 WeakPolarHBondContact O-CG 3.17Å; E335-L339 PolarHBondContact O-N 2.89Å; A336-L339 PolarHBondContact O-N 2.56Å; L339-R341 VanDerWaalsContact C-N 3.34Å; L339-R341 PolarHBondContact O-N 3.48Å; L339-K342 PolarHBondContact O-N 3.43Å; L339-A343 PolarHBondContact O-N 2.86Å |
| 340 | Y | 96.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 173.3 | -68.7 | -56.2 | 0 | 0 | 0 | 112.1 | N321 A324 N325 A336 A343 L344 N356 L357 V360 | N321-Y340 WeakPolarHBondContact OD1-CE1 3.38Å; A324-Y340 HydrophobicContact CB-CD1 3.52Å; A324-Y340 HydrophobicContact CB-CD2 3.92Å; A324-Y340 HydrophobicContact CB-CE1 3.38Å; A324-Y340 HydrophobicContact CB-CE2 3.79Å; A324-Y340 HydrophobicContact CB-CG 3.77Å; N325-Y340 WeakPolarHBondContact CA-OH 3.44Å; N325-Y340 PolarHBondContact N-OH 3.35Å; N325-Y340 PolarHBondContact OD1-OH 2.97Å; A336-Y340 HydrophobicContact CB-CE2 4.18Å; A336-Y340 WeakPolarHBondContact O-CD2 2.94Å; A336-Y340 PolarHBondContact O-N 3.21Å; Y340-A343 WeakPolarHBondContact O-CB 3.5Å; Y340-A343 PolarHBondContact O-N 2.86Å; Y340-L344 WeakPolarHBondContact O-CG 3.44Å; Y340-L344 PolarHBondContact O-N 3.5Å; Y340-N356 HydrophobicContact CD1-CB 4.1Å; Y340-N356 HydrophobicContact CE1-CB 3.42Å; Y340-N356 VanDerWaalsContact CE1-CB 3.42Å; Y340-N356 HydrophobicContact CE2-CB 4.37Å; Y340-L357 HydrophobicContact CD2-CB 4.36Å; Y340-L357 HydrophobicContact CD2-CD1 4.36Å; Y340-L357 HydrophobicContact CG-CB 4.24Å; Y340-V360 HydrophobicContact CE2-CG2 3.99Å |
| 341 | R | 95.7 | Very high | 91.8 | Very high | 109 Ų | 109 | 60.3 Ų | 60.3 | 41% | 0.411 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 176.3 | -76 | 176.6 | 176.9 | 167.4 | -2.2 | 111.6 | V337 Q338 L339 A343 L344 E345 L357 | V337-R341 WeakPolarHBondContact O-CG 3.49Å; V337-R341 PolarHBondContact O-N 2.86Å; Q338-R341 PolarHBondContact O-N 3.41Å; L339-R341 VanDerWaalsContact C-N 3.34Å; L339-R341 PolarHBondContact O-N 3.48Å; R341-A343 VanDerWaalsContact C-N 3.31Å; R341-A343 PolarHBondContact O-N 2.88Å; R341-L344 CarbonylContact O-C 3.52Å; R341-L344 PolarHBondContact O-N 3.35Å; R341-L344 VanDerWaalsContact O-N 3.13Å; R341-E345 WeakPolarHBondContact O-CG 3.29Å; R341-E345 PolarHBondContact O-N 2.98Å; R341-L357 HydrophobicContact CG-CD2 4.21Å |
| 342 | K | 95.1 | Very high | 92.7 | Very high | 104 Ų | 104 | 59.6 Ų | 59.6 | 45% | 0.452 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.7 | -41.1 | 173.4 | -73.9 | 179.4 | 179.3 | 179.5 | 0 | 112.1 | L320 Q338 L339 L344 E345 V346 | L320-K342 HydrophobicContact CD1-CB 4.08Å; L320-K342 HydrophobicContact CD2-CB 4.35Å; Q338-K342 WeakPolarHBondContact O-CG 3.36Å; Q338-K342 PolarHBondContact O-N 2.75Å; L339-K342 PolarHBondContact O-N 3.43Å; K342-L344 VanDerWaalsContact C-N 3.27Å; K342-L344 PolarHBondContact O-N 2.79Å; K342-E345 PolarHBondContact O-N 3.43Å; K342-V346 WeakPolarHBondContact O-CG2 3.46Å; K342-V346 PolarHBondContact O-N 2.72Å; K342-V346 VanDerWaalsContact O-N 3.08Å |
| 343 | A | 95.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.3 | -40.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L320 N321 L339 Y340 R341 V346 F347 A353 | L320-A343 HydrophobicContact CB-CB 3.74Å; L320-A343 HydrophobicContact CD1-CB 4.47Å; N321-A343 HydrophobicContact CB-CB 4.41Å; L339-A343 PolarHBondContact O-N 2.86Å; Y340-A343 WeakPolarHBondContact O-CB 3.5Å; Y340-A343 PolarHBondContact O-N 2.86Å; R341-A343 VanDerWaalsContact C-N 3.31Å; R341-A343 PolarHBondContact O-N 2.88Å; A343-V346 PolarHBondContact O-N 2.74Å; A343-F347 PolarHBondContact O-N 2.71Å; A343-A353 HydrophobicContact CB-CB 4.42Å |
| 344 | L | 95.4 | Very high | 94 | Very high | 20 Ų | 20 | 55.3 Ų | 55.3 | 11% | 0.105 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -77.3 | -26.8 | 178.2 | -67.3 | 171.6 | 0 | 0 | 0 | 113.9 | Y340 R341 K342 V346 F347 P348 F350 A353 H354 L357 | Y340-L344 WeakPolarHBondContact O-CG 3.44Å; Y340-L344 PolarHBondContact O-N 3.5Å; R341-L344 CarbonylContact O-C 3.52Å; R341-L344 PolarHBondContact O-N 3.35Å; R341-L344 VanDerWaalsContact O-N 3.13Å; K342-L344 VanDerWaalsContact C-N 3.27Å; K342-L344 PolarHBondContact O-N 2.79Å; L344-V346 VanDerWaalsContact C-N 3.33Å; L344-F347 CarbonylContact O-C 3.22Å; L344-P348 VanDerWaalsContact O-CA 3.28Å; L344-P348 WeakPolarHBondContact O-CA 3.16Å; L344-P348 WeakPolarHBondContact O-CG 3.31Å; L344-F350 HydrophobicContact CD2-CB 4.09Å; L344-A353 HydrophobicContact CD2-CB 3.82Å; L344-A353 HydrophobicContact CG-CB 4.05Å; L344-H354 WeakPolarHBondContact CD1-ND1 3.27Å; L344-L357 HydrophobicContact CD1-CD2 3.77Å |
| 345 | E | 95.2 | Very high | 94.5 | Very high | 153 Ų | 153 | 50 Ų | 50 | 72% | 0.715 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -65.9 | -39.3 | 169.9 | -75.8 | 170 | -169.8 | 0 | 0 | 111.1 | R341 K342 | R341-E345 WeakPolarHBondContact O-CG 3.29Å; R341-E345 PolarHBondContact O-N 2.98Å; K342-E345 PolarHBondContact O-N 3.43Å |
| 346 | V | 94.4 | Very high | 94.8 | Very high | 60 Ų | 60 | 47.8 Ų | 47.8 | 36% | 0.364 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -75.8 | -45.8 | 177.7 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | T315 A317 L320 K342 A343 L344 | T315-V346 HydrophobicContact CG2-CG2 4.35Å; T315-V346 WeakPolarHBondContact O-CG1 3.46Å; A317-V346 HydrophobicContact CB-CG1 4.25Å; L320-V346 HydrophobicContact CD1-CG2 4.24Å; K342-V346 WeakPolarHBondContact O-CG2 3.46Å; K342-V346 PolarHBondContact O-N 2.72Å; K342-V346 VanDerWaalsContact O-N 3.08Å; A343-V346 PolarHBondContact O-N 2.74Å; L344-V346 VanDerWaalsContact C-N 3.33Å |
| 347 | F | 95.1 | Very high | 94.9 | Very high | 94 Ų | 94 | 47.8 Ų | 47.8 | 41% | 0.412 | 24% | 0.237 | S | C | . | . | trans | -133.3 | 90.1 | -179 | -176.2 | -136.6 | 0 | 0 | 0 | 111 | A317 A343 L344 E349 F350 | A317-F347 HydrophobicContact CB-CB 3.91Å; A343-F347 PolarHBondContact O-N 2.71Å; L344-F347 CarbonylContact O-C 3.22Å; F347-E349 VanDerWaalsContact C-N 3.25Å; F347-E349 HydrophobicContact CE2-CB 3.84Å; F347-E349 HydrophobicContact CZ-CB 3.94Å; F347-E349 PolarHBondContact O-N 2.76Å; F347-F350 HydrophobicContact CD1-CB 3.45Å; F347-F350 VanDerWaalsContact CD1-CB 3.45Å; F347-F350 HydrophobicContact CD1-CD1 4.16Å; F347-F350 HydrophobicContact CD1-CD2 4.43Å; F347-F350 AromaticContact CD1-CG 3.8Å; F347-F350 HydrophobicContact CD1-CG 3.8Å; F347-F350 HydrophobicContact CE1-CB 3.9Å; F347-F350 HydrophobicContact CE1-CD2 4.46Å; F347-F350 HydrophobicContact CE1-CG 4.23Å; F347-F350 HydrophobicContact CG-CB 4.23Å; F347-F350 WeakPolarHBondContact O-CB 3.39Å; F347-F350 PolarHBondContact O-N 3.41Å | ||
| 348 | P | 94 | Very high | 95.1 | Very high | 82 Ų | 82 | 47.4 Ų | 47.4 | 53% | 0.532 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -26.5 | -178 | -26.4 | 35.1 | 0 | 0 | 0 | 114.7 | L344 F350 H354 | L344-P348 VanDerWaalsContact O-CA 3.28Å; L344-P348 WeakPolarHBondContact O-CA 3.16Å; L344-P348 WeakPolarHBondContact O-CG 3.31Å; P348-F350 PolarHBondContact O-N 2.85Å; P348-H354 PolarHBondContact O-NE2 3.38Å |
| 349 | E | 94.5 | Very high | 94.9 | Very high | 112 Ų | 112 | 43.1 Ų | 43.1 | 52% | 0.523 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 27.2 | 179.3 | -59.8 | -161.8 | 131.7 | 0 | 0 | 112.9 | F347 A351 I380 | F347-E349 VanDerWaalsContact C-N 3.25Å; F347-E349 HydrophobicContact CE2-CB 3.84Å; F347-E349 HydrophobicContact CZ-CB 3.94Å; F347-E349 PolarHBondContact O-N 2.76Å; E349-A351 PolarHBondContact O-N 3.18Å; E349-I380 HydrophobicContact CB-CG2 4.37Å; E349-I380 WeakPolarHBondContact O-CG2 3.41Å |
| 350 | F | 94.8 | Very high | 94.6 | Very high | 26 Ų | 26 | 42.3 Ų | 42.3 | 11% | 0.114 | 21% | 0.213 | C | C | . | . | trans | -87.4 | 86.7 | 178.1 | -158.7 | 174.2 | 0 | 0 | 0 | 112.3 | A317 D318 N321 L344 F347 P348 A352 A353 H354 | A317-F350 HydrophobicContact CB-CD1 4.26Å; A317-F350 HydrophobicContact CB-CE1 4.3Å; D318-F350 WeakPolarHBondContact OD1-CZ 3.25Å; N321-F350 HydrophobicContact CB-CD1 4.42Å; N321-F350 HydrophobicContact CB-CE1 3.58Å; N321-F350 HydrophobicContact CB-CZ 4.03Å; L344-F350 HydrophobicContact CD2-CB 4.09Å; F347-F350 HydrophobicContact CD1-CB 3.45Å; F347-F350 VanDerWaalsContact CD1-CB 3.45Å; F347-F350 HydrophobicContact CD1-CD1 4.16Å; F347-F350 HydrophobicContact CD1-CD2 4.43Å; F347-F350 AromaticContact CD1-CG 3.8Å; F347-F350 HydrophobicContact CD1-CG 3.8Å; F347-F350 HydrophobicContact CE1-CB 3.9Å; F347-F350 HydrophobicContact CE1-CD2 4.46Å; F347-F350 HydrophobicContact CE1-CG 4.23Å; F347-F350 HydrophobicContact CG-CB 4.23Å; F347-F350 WeakPolarHBondContact O-CB 3.39Å; F347-F350 PolarHBondContact O-N 3.41Å; P348-F350 PolarHBondContact O-N 2.85Å; F350-A352 VanDerWaalsContact C-N 3.3Å; F350-A352 HydrophobicContact CD2-CB 4.09Å; F350-A352 HydrophobicContact CE2-CB 3.75Å; F350-A352 PolarHBondContact O-N 2.7Å; F350-A353 HydrophobicContact CB-CB 3.97Å; F350-A353 HydrophobicContact CD1-CB 3.62Å; F350-A353 HydrophobicContact CD2-CB 4.42Å; F350-A353 HydrophobicContact CE1-CB 4.23Å; F350-A353 HydrophobicContact CG-CB 3.73Å; F350-A353 PolarHBondContact O-N 3.39Å; F350-A353 VanDerWaalsContact O-N 3.14Å; F350-H354 PolarHBondContact O-N 2.87Å; F350-H354 VanDerWaalsContact O-N 3.1Å | ||
| 351 | A | 94.3 | Very high | 94.3 | Very high | 13 Ų | 13 | 42.3 Ų | 42.3 | 11% | 0.107 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -54.3 | -40.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | E349 H354 S355 A377 I380 F384 | E349-A351 PolarHBondContact O-N 3.18Å; A351-H354 PolarHBondContact O-N 3.08Å; A351-S355 PolarHBondContact O-N 3.32Å; A351-A377 HydrophobicContact CB-CB 4.49Å; A351-A377 WeakPolarHBondContact O-CB 3.33Å; A351-I380 HydrophobicContact CB-CB 4.13Å; A351-I380 HydrophobicContact CB-CG2 3.9Å; A351-F384 HydrophobicContact CB-CD1 4.25Å; A351-F384 HydrophobicContact CB-CE1 4.46Å |
| 352 | A | 93.6 | Very high | 93.8 | Very high | 32 Ų | 32 | 38.2 Ų | 38.2 | 26% | 0.264 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65.6 | -41.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F350 S355 N356 | F350-A352 VanDerWaalsContact C-N 3.3Å; F350-A352 HydrophobicContact CD2-CB 4.09Å; F350-A352 HydrophobicContact CE2-CB 3.75Å; F350-A352 PolarHBondContact O-N 2.7Å; A352-S355 PolarHBondContact O-N 3.2Å; A352-N356 WeakPolarHBondContact O-CB 3.18Å; A352-N356 VanDerWaalsContact O-CG 3.31Å; A352-N356 PolarHBondContact O-N 3.11Å; A352-N356 PolarHBondContact O-ND2 2.98Å |
| 353 | A | 94.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.9 | -39.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N321 A343 L344 F350 N356 L357 | N321-A353 HydrophobicContact CB-CB 4.45Å; N321-A353 WeakPolarHBondContact OD1-CA 3.37Å; A343-A353 HydrophobicContact CB-CB 4.42Å; L344-A353 HydrophobicContact CD2-CB 3.82Å; L344-A353 HydrophobicContact CG-CB 4.05Å; F350-A353 HydrophobicContact CB-CB 3.97Å; F350-A353 HydrophobicContact CD1-CB 3.62Å; F350-A353 HydrophobicContact CD2-CB 4.42Å; F350-A353 HydrophobicContact CE1-CB 4.23Å; F350-A353 HydrophobicContact CG-CB 3.73Å; F350-A353 PolarHBondContact O-N 3.39Å; F350-A353 VanDerWaalsContact O-N 3.14Å; A353-N356 PolarHBondContact O-N 2.55Å; A353-L357 VanDerWaalsContact O-CB 3.22Å; A353-L357 WeakPolarHBondContact O-CB 3.43Å; A353-L357 PolarHBondContact O-N 2.78Å |
| 354 | H | 97.1 | Very high | 92.3 | Very high | 19 Ų | 19 | 42.3 Ų | 42.3 | 9% | 0.088 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.6 | -48.2 | 171.3 | -86 | -52.4 | 0 | 0 | 0 | 112.4 | L344 P348 F350 A351 L357 A358 H373 A377 | L344-H354 WeakPolarHBondContact CD1-ND1 3.27Å; P348-H354 PolarHBondContact O-NE2 3.38Å; F350-H354 PolarHBondContact O-N 2.87Å; F350-H354 VanDerWaalsContact O-N 3.1Å; A351-H354 PolarHBondContact O-N 3.08Å; H354-L357 PolarHBondContact O-N 2.77Å; H354-A358 VanDerWaalsContact O-CB 3.27Å; H354-A358 WeakPolarHBondContact O-CB 3.22Å; H354-A358 PolarHBondContact O-N 2.83Å; H354-H373 AromaticContact CE1-ND1 3.54Å; H354-H373 AromaticContact ND1-CE1 3.87Å; H354-H373 AromaticContact ND1-CG 3.92Å; H354-H373 AromaticContact ND1-ND1 3.01Å; H354-H373 PolarHBondContact ND1-ND1 2.85Å; H354-A377 HydrophobicContact CB-CB 3.87Å |
| 355 | S | 95.9 | Very high | 91.3 | Very high | 5 Ų | 5 | 43.9 Ų | 43.9 | 4% | 0.035 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.5 | -41.7 | 178.7 | -173.7 | 0 | 0 | 0 | 0 | 112.6 | A351 A352 A358 S359 Y374 | A351-S355 PolarHBondContact O-N 3.32Å; A352-S355 PolarHBondContact O-N 3.2Å; S355-A358 PolarHBondContact O-N 3.23Å; S355-S359 PolarHBondContact O-N 2.94Å; S355-Y374 WeakPolarHBondContact O-CE1 3.37Å |
| 356 | N | 94.6 | Very high | 90.7 | Very high | 34 Ų | 34 | 40.6 Ų | 40.6 | 18% | 0.182 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.7 | -43.7 | 177.8 | -75.1 | -34.2 | 0 | 0 | 0 | 112.4 | N321 N325 Y340 A352 A353 A358 S359 V360 | N321-N356 PolarHBondContact OD1-ND2 2.98Å; N325-N356 PolarHBondContact OD1-ND2 3.48Å; Y340-N356 HydrophobicContact CD1-CB 4.1Å; Y340-N356 HydrophobicContact CE1-CB 3.42Å; Y340-N356 VanDerWaalsContact CE1-CB 3.42Å; Y340-N356 HydrophobicContact CE2-CB 4.37Å; A352-N356 WeakPolarHBondContact O-CB 3.18Å; A352-N356 VanDerWaalsContact O-CG 3.31Å; A352-N356 PolarHBondContact O-N 3.11Å; A352-N356 PolarHBondContact O-ND2 2.98Å; A353-N356 PolarHBondContact O-N 2.55Å; N356-A358 VanDerWaalsContact C-N 3.34Å; N356-S359 WeakPolarHBondContact O-CB 3.47Å; N356-S359 PolarHBondContact O-N 3.5Å; N356-V360 PolarHBondContact O-N 3.33Å |
| 357 | L | 95.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.8 | -43.7 | 174.7 | 177.4 | 56.8 | 0 | 0 | 0 | 111.1 | V337 Y340 R341 L344 A353 H354 S359 V360 L361 | V337-L357 HydrophobicContact CB-CD1 4.44Å; V337-L357 HydrophobicContact CG1-CD1 4Å; V337-L357 HydrophobicContact CG2-CD1 4.3Å; Y340-L357 HydrophobicContact CD2-CB 4.36Å; Y340-L357 HydrophobicContact CD2-CD1 4.36Å; Y340-L357 HydrophobicContact CG-CB 4.24Å; R341-L357 HydrophobicContact CG-CD2 4.21Å; L344-L357 HydrophobicContact CD1-CD2 3.77Å; A353-L357 VanDerWaalsContact O-CB 3.22Å; A353-L357 WeakPolarHBondContact O-CB 3.43Å; A353-L357 PolarHBondContact O-N 2.78Å; H354-L357 PolarHBondContact O-N 2.77Å; L357-S359 VanDerWaalsContact C-N 3.3Å; L357-S359 PolarHBondContact O-N 3.38Å; L357-V360 PolarHBondContact O-N 3.39Å; L357-L361 HydrophobicContact CD1-CD1 4.06Å; L357-L361 HydrophobicContact CD1-CG 4.14Å; L357-L361 HydrophobicContact CG-CD1 3.86Å; L357-L361 HydrophobicContact CG-CG 4.41Å; L357-L361 VanDerWaalsContact O-CG 3.31Å; L357-L361 WeakPolarHBondContact O-CG 3.49Å; L357-L361 PolarHBondContact O-N 3.43Å |
| 358 | A | 95 | Very high | 90.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.8 | -43.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | H354 S355 N356 V360 L361 Q362 A370 H373 Y374 | H354-A358 VanDerWaalsContact O-CB 3.27Å; H354-A358 WeakPolarHBondContact O-CB 3.22Å; H354-A358 PolarHBondContact O-N 2.83Å; S355-A358 PolarHBondContact O-N 3.23Å; N356-A358 VanDerWaalsContact C-N 3.34Å; A358-V360 VanDerWaalsContact C-N 3.33Å; A358-V360 PolarHBondContact O-N 2.89Å; A358-L361 PolarHBondContact O-N 2.98Å; A358-Q362 WeakPolarHBondContact O-CB 3.38Å; A358-Q362 PolarHBondContact O-N 3.14Å; A358-A370 HydrophobicContact CB-CB 4.41Å; A358-A370 WeakPolarHBondContact CB-O 3.29Å; A358-A370 VanDerWaalsContact O-CB 3.26Å; A358-A370 WeakPolarHBondContact O-CB 3.41Å; A358-H373 HydrophobicContact CB-CB 3.74Å; A358-Y374 HydrophobicContact CB-CD1 3.73Å; A358-Y374 HydrophobicContact CB-CD2 3.65Å; A358-Y374 HydrophobicContact CB-CE1 3.56Å; A358-Y374 HydrophobicContact CB-CE2 3.51Å; A358-Y374 HydrophobicContact CB-CG 3.73Å; A358-Y374 VanDerWaalsContact CB-CZ 3.43Å |
| 359 | S | 91.7 | Very high | 90.1 | Very high | 25 Ų | 25 | 40.9 Ų | 40.9 | 18% | 0.175 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.2 | -41 | 177.7 | -176.8 | 0 | 0 | 0 | 0 | 112.3 | S355 N356 L357 Q362 Q363 Y374 | S355-S359 PolarHBondContact O-N 2.94Å; N356-S359 WeakPolarHBondContact O-CB 3.47Å; N356-S359 PolarHBondContact O-N 3.5Å; L357-S359 VanDerWaalsContact C-N 3.3Å; L357-S359 PolarHBondContact O-N 3.38Å; S359-Q362 WeakPolarHBondContact O-CB 3.5Å; S359-Q362 PolarHBondContact O-N 3.25Å; S359-Q363 WeakPolarHBondContact O-CG 3.45Å; S359-Q363 PolarHBondContact O-N 3Å; S359-Q363 VanDerWaalsContact O-N 3.12Å; S359-Y374 WeakPolarHBondContact CA-OH 3.42Å; S359-Y374 WeakPolarHBondContact CB-OH 3.4Å; S359-Y374 PolarHBondContact N-OH 3.17Å; S359-Y374 VanDerWaalsContact N-OH 3.1Å |
| 360 | V | 88.8 | Confident | 90.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.8 | -40.4 | 176.1 | 176.9 | 0 | 0 | 0 | 0 | 111.7 | R328 I333 V337 Y340 N356 L357 A358 Q362 Q363 Q364 | R328-V360 HydrophobicContact CG-CG2 3.91Å; I333-V360 HydrophobicContact CG2-CG1 3.47Å; I333-V360 VanDerWaalsContact CG2-CG1 3.47Å; V337-V360 HydrophobicContact CG2-CB 4.4Å; V337-V360 HydrophobicContact CG2-CG1 3.52Å; Y340-V360 HydrophobicContact CE2-CG2 3.99Å; N356-V360 PolarHBondContact O-N 3.33Å; L357-V360 PolarHBondContact O-N 3.39Å; A358-V360 VanDerWaalsContact C-N 3.33Å; A358-V360 PolarHBondContact O-N 2.89Å; V360-Q362 VanDerWaalsContact C-N 3.31Å; V360-Q362 PolarHBondContact O-N 3.48Å; V360-Q363 WeakPolarHBondContact O-CB 3.38Å; V360-Q363 PolarHBondContact O-N 3.12Å; V360-Q364 WeakPolarHBondContact O-CG 3.36Å; V360-Q364 PolarHBondContact O-N 3.3Å |
| 361 | L | 88.7 | Confident | 90.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.1 | -36.3 | 176.4 | -69.9 | 167.5 | 0 | 0 | 0 | 111.9 | L357 A358 Q364 G365 K366 E369 A370 H373 | L357-L361 HydrophobicContact CD1-CD1 4.06Å; L357-L361 HydrophobicContact CD1-CG 4.14Å; L357-L361 HydrophobicContact CG-CD1 3.86Å; L357-L361 HydrophobicContact CG-CG 4.41Å; L357-L361 VanDerWaalsContact O-CG 3.31Å; L357-L361 WeakPolarHBondContact O-CG 3.49Å; L357-L361 PolarHBondContact O-N 3.43Å; A358-L361 PolarHBondContact O-N 2.98Å; L361-Q364 CarbonylContact O-C 3.03Å; L361-Q364 PolarHBondContact O-N 2.81Å; L361-G365 PolarHBondContact O-N 3.33Å; L361-K366 HydrophobicContact CB-CB 4.3Å; L361-K366 HydrophobicContact CD2-CB 4.32Å; L361-K366 HydrophobicContact CD2-CD 3.71Å; L361-K366 PolarHBondContact O-N 3.07Å; L361-E369 HydrophobicContact CD1-CB 4Å; L361-A370 HydrophobicContact CB-CB 4.02Å; L361-H373 VanDerWaalsContact CD1-CD2 3.47Å; L361-H373 WeakPolarHBondContact CD1-CD2 3.22Å |
| 362 | Q | 86.3 | Confident | 90.2 | Very high | 24 Ų | 24 | 40.9 Ų | 40.9 | 11% | 0.112 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.8 | -48.2 | 171.9 | -176.3 | -169.2 | 0.8 | 0 | 0 | 110.4 | A358 S359 V360 Q364 G365 L367 A370 T394 E397 | A358-Q362 WeakPolarHBondContact O-CB 3.38Å; A358-Q362 PolarHBondContact O-N 3.14Å; S359-Q362 WeakPolarHBondContact O-CB 3.5Å; S359-Q362 PolarHBondContact O-N 3.25Å; V360-Q362 VanDerWaalsContact C-N 3.31Å; V360-Q362 PolarHBondContact O-N 3.48Å; Q362-Q364 VanDerWaalsContact C-N 3.26Å; Q362-Q364 PolarHBondContact O-N 3.43Å; Q362-G365 WeakPolarHBondContact O-CA 3.24Å; Q362-G365 PolarHBondContact O-N 2.79Å; Q362-L367 HydrophobicContact CG-CD2 4.04Å; Q362-A370 HydrophobicContact CB-CB 4.1Å; Q362-T394 VanDerWaalsContact CD-OG1 3.31Å; Q362-T394 PolarHBondContact OE1-OG1 3.02Å; Q362-E397 PolarHBondContact NE2-OE1 3.39Å |
| 363 | Q | 80.3 | Confident | 90.4 | Very high | 130 Ų | 130 | 41.5 Ų | 41.5 | 61% | 0.607 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -60.3 | -33.8 | 176.2 | -70 | 174.2 | -0.2 | 0 | 0 | 112.9 | S359 V360 G365 | S359-Q363 WeakPolarHBondContact O-CG 3.45Å; S359-Q363 PolarHBondContact O-N 3Å; S359-Q363 VanDerWaalsContact O-N 3.12Å; V360-Q363 WeakPolarHBondContact O-CB 3.38Å; V360-Q363 PolarHBondContact O-N 3.12Å; Q363-G365 PolarHBondContact O-N 3.23Å |
| 364 | Q | 77.7 | Confident | 90.5 | Very high | 60 Ų | 60 | 41.5 Ų | 41.5 | 28% | 0.28 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -1.9 | 172.9 | -68.8 | -173.5 | -14.9 | 0 | 0 | 113.9 | I333 V360 L361 Q362 K366 | I333-Q364 HydrophobicContact CG2-CG 4.36Å; V360-Q364 WeakPolarHBondContact O-CG 3.36Å; V360-Q364 PolarHBondContact O-N 3.3Å; L361-Q364 CarbonylContact O-C 3.03Å; L361-Q364 PolarHBondContact O-N 2.81Å; Q362-Q364 VanDerWaalsContact C-N 3.26Å; Q362-Q364 PolarHBondContact O-N 3.43Å; Q364-K366 VanDerWaalsContact C-N 3.28Å; Q364-K366 HydrophobicContact CB-CD 4.45Å; Q364-K366 HydrophobicContact CB-CG 4.44Å; Q364-K366 PolarHBondContact O-N 3.39Å |
| 365 | G | 74.8 | Confident | 90.5 | Very high | 53 Ų | 53 | 46.3 Ų | 46.3 | 55% | 0.546 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | 9.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L361 Q362 Q363 L367 | L361-G365 PolarHBondContact O-N 3.33Å; Q362-G365 WeakPolarHBondContact O-CA 3.24Å; Q362-G365 PolarHBondContact O-N 2.79Å; Q363-G365 PolarHBondContact O-N 3.23Å; G365-L367 PolarHBondContact O-N 3.45Å |
| 366 | K | 83.7 | Confident | 90.6 | Very high | 83 Ų | 83 | 49.2 Ų | 49.2 | 36% | 0.361 | 25% | 0.248 | S | C | . | . | trans | -85.2 | 60 | 177.1 | -65.1 | 173.3 | -178.2 | 161.4 | 0 | 110.7 | L361 Q364 Q368 E369 A370 | L361-K366 HydrophobicContact CB-CB 4.3Å; L361-K366 HydrophobicContact CD2-CB 4.32Å; L361-K366 HydrophobicContact CD2-CD 3.71Å; L361-K366 PolarHBondContact O-N 3.07Å; Q364-K366 VanDerWaalsContact C-N 3.28Å; Q364-K366 HydrophobicContact CB-CD 4.45Å; Q364-K366 HydrophobicContact CB-CG 4.44Å; Q364-K366 PolarHBondContact O-N 3.39Å; K366-Q368 VanDerWaalsContact C-N 3.3Å; K366-Q368 PolarHBondContact O-N 2.72Å; K366-E369 HydrophobicContact CB-CB 4.33Å; K366-E369 PolarHBondContact O-N 3.09Å; K366-E369 VanDerWaalsContact O-N 3.17Å; K366-A370 PolarHBondContact O-N 2.89Å | ||
| 367 | L | 87.4 | Confident | 90.7 | Very high | 36 Ų | 36 | 47.6 Ų | 47.6 | 19% | 0.188 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.2 | -36.4 | -168.8 | -54.9 | -175.8 | 0 | 0 | 0 | 113.6 | Q362 G365 A370 L371 T394 E397 M398 | Q362-L367 HydrophobicContact CG-CD2 4.04Å; G365-L367 PolarHBondContact O-N 3.45Å; L367-A370 PolarHBondContact O-N 3.32Å; L367-L371 WeakPolarHBondContact O-CB 3.37Å; L367-L371 PolarHBondContact O-N 2.81Å; L367-T394 HydrophobicContact CB-CG2 4.21Å; L367-T394 HydrophobicContact CD2-CG2 4.38Å; L367-E397 HydrophobicContact CD1-CB 4.08Å; L367-E397 WeakPolarHBondContact CD2-OE2 3.3Å; L367-M398 HydrophobicContact CB-CG 3.79Å; L367-M398 HydrophobicContact CB-SD 3.86Å; L367-M398 HydrophobicContact CD1-CG 3.62Å; L367-M398 HydrophobicContact CG-CG 4.34Å |
| 368 | Q | 90.3 | Very high | 90.7 | Very high | 127 Ų | 127 | 48.4 Ų | 48.4 | 59% | 0.593 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -68 | -42.9 | 178.5 | -67.3 | -67.3 | -12.9 | 0 | 0 | 112.5 | K366 L371 M372 | K366-Q368 VanDerWaalsContact C-N 3.3Å; K366-Q368 PolarHBondContact O-N 2.72Å; Q368-L371 PolarHBondContact O-N 2.97Å; Q368-M372 WeakPolarHBondContact O-CG 3.48Å; Q368-M372 PolarHBondContact O-N 3.38Å; Q368-M372 VanDerWaalsContact O-N 3.09Å |
| 369 | E | 92.7 | Very high | 90.8 | Very high | 80 Ų | 80 | 55 Ų | 55 | 37% | 0.374 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.3 | -40.7 | 176 | -65.7 | 177.4 | -128.8 | 0 | 0 | 110.7 | L361 K366 L371 M372 H373 | L361-E369 HydrophobicContact CD1-CB 4Å; K366-E369 HydrophobicContact CB-CB 4.33Å; K366-E369 PolarHBondContact O-N 3.09Å; K366-E369 VanDerWaalsContact O-N 3.17Å; E369-L371 PolarHBondContact O-N 2.84Å; E369-M372 PolarHBondContact O-N 3.34Å; E369-H373 PolarHBondContact O-CD2 2.83Å; E369-H373 PolarHBondContact O-N 3.46Å; E369-H373 VanDerWaalsContact O-N 3.14Å |
| 370 | A | 94.6 | Very high | 91 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.2 | -47.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A358 L361 Q362 K366 L367 M372 H373 Y374 T394 | A358-A370 HydrophobicContact CB-CB 4.41Å; A358-A370 WeakPolarHBondContact CB-O 3.29Å; A358-A370 VanDerWaalsContact O-CB 3.26Å; A358-A370 WeakPolarHBondContact O-CB 3.41Å; L361-A370 HydrophobicContact CB-CB 4.02Å; Q362-A370 HydrophobicContact CB-CB 4.1Å; K366-A370 PolarHBondContact O-N 2.89Å; L367-A370 PolarHBondContact O-N 3.32Å; A370-M372 VanDerWaalsContact C-N 3.32Å; A370-M372 PolarHBondContact O-N 3.03Å; A370-H373 PolarHBondContact O-N 3.14Å; A370-Y374 HydrophobicContact CB-CE2 4.48Å; A370-Y374 VanDerWaalsContact O-CD2 3.29Å; A370-Y374 WeakPolarHBondContact O-CD2 3.35Å; A370-Y374 PolarHBondContact O-N 3.25Å; A370-T394 HydrophobicContact CB-CG2 4.32Å |
| 371 | L | 95.6 | Very high | 91.3 | Very high | 15 Ų | 15 | 57.6 Ų | 57.6 | 8% | 0.079 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.4 | -39.6 | 178.2 | -175.8 | 62.8 | 0 | 0 | 0 | 112.4 | L367 Q368 E369 Y374 K375 M391 L395 M398 | L367-L371 WeakPolarHBondContact O-CB 3.37Å; L367-L371 PolarHBondContact O-N 2.81Å; Q368-L371 PolarHBondContact O-N 2.97Å; E369-L371 PolarHBondContact O-N 2.84Å; L371-Y374 PolarHBondContact O-N 3Å; L371-K375 HydrophobicContact CG-CD 4.49Å; L371-K375 WeakPolarHBondContact O-CG 3.42Å; L371-K375 PolarHBondContact O-N 3.16Å; L371-M391 HydrophobicContact CD1-CG 3.52Å; L371-M391 HydrophobicContact CD1-SD 3.78Å; L371-L395 HydrophobicContact CD1-CD1 4.49Å; L371-L395 HydrophobicContact CD1-CD2 3.83Å; L371-L395 HydrophobicContact CD1-CG 4.09Å; L371-L395 HydrophobicContact CD2-CD2 3.98Å; L371-M398 HydrophobicContact CD2-CE 4.37Å; L371-M398 HydrophobicContact CD2-SD 4.37Å |
| 372 | M | 96 | Very high | 91.6 | Very high | 135 Ų | 135 | 61 Ų | 61 | 67% | 0.665 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -60.5 | -47.4 | 175.3 | -74.9 | -178.8 | 53.3 | 0 | 0 | 111.9 | Q368 E369 A370 K375 E376 | Q368-M372 WeakPolarHBondContact O-CG 3.48Å; Q368-M372 PolarHBondContact O-N 3.38Å; Q368-M372 VanDerWaalsContact O-N 3.09Å; E369-M372 PolarHBondContact O-N 3.34Å; A370-M372 VanDerWaalsContact C-N 3.32Å; A370-M372 PolarHBondContact O-N 3.03Å; M372-K375 PolarHBondContact O-N 2.85Å; M372-E376 PolarHBondContact O-N 3.09Å; M372-E376 VanDerWaalsContact O-N 3.09Å |
| 373 | H | 97.3 | Very high | 92 | Very high | 45 Ų | 45 | 64.6 Ų | 64.6 | 21% | 0.208 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.9 | -35.7 | 179.8 | -75.9 | -57.8 | 0 | 0 | 0 | 112.9 | H354 A358 L361 E369 A370 E376 A377 | H354-H373 AromaticContact CE1-ND1 3.54Å; H354-H373 AromaticContact ND1-CE1 3.87Å; H354-H373 AromaticContact ND1-CG 3.92Å; H354-H373 AromaticContact ND1-ND1 3.01Å; H354-H373 PolarHBondContact ND1-ND1 2.85Å; A358-H373 HydrophobicContact CB-CB 3.74Å; L361-H373 VanDerWaalsContact CD1-CD2 3.47Å; L361-H373 WeakPolarHBondContact CD1-CD2 3.22Å; E369-H373 PolarHBondContact O-CD2 2.83Å; E369-H373 PolarHBondContact O-N 3.46Å; E369-H373 VanDerWaalsContact O-N 3.14Å; A370-H373 PolarHBondContact O-N 3.14Å; H373-E376 PolarHBondContact O-N 3.21Å; H373-A377 PolarHBondContact O-N 3.38Å |
| 374 | Y | 97.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 171.9 | -77.8 | -51.1 | 0 | 0 | 0 | 112.7 | S355 A358 S359 A370 L371 E376 A377 I378 A387 N390 M391 T394 | S355-Y374 WeakPolarHBondContact O-CE1 3.37Å; A358-Y374 HydrophobicContact CB-CD1 3.73Å; A358-Y374 HydrophobicContact CB-CD2 3.65Å; A358-Y374 HydrophobicContact CB-CE1 3.56Å; A358-Y374 HydrophobicContact CB-CE2 3.51Å; A358-Y374 HydrophobicContact CB-CG 3.73Å; A358-Y374 VanDerWaalsContact CB-CZ 3.43Å; S359-Y374 WeakPolarHBondContact CA-OH 3.42Å; S359-Y374 WeakPolarHBondContact CB-OH 3.4Å; S359-Y374 PolarHBondContact N-OH 3.17Å; S359-Y374 VanDerWaalsContact N-OH 3.1Å; A370-Y374 HydrophobicContact CB-CE2 4.48Å; A370-Y374 VanDerWaalsContact O-CD2 3.29Å; A370-Y374 WeakPolarHBondContact O-CD2 3.35Å; A370-Y374 PolarHBondContact O-N 3.25Å; L371-Y374 PolarHBondContact O-N 3Å; Y374-E376 PolarHBondContact O-N 2.86Å; Y374-A377 PolarHBondContact O-N 2.96Å; Y374-I378 WeakPolarHBondContact O-CD1 3.34Å; Y374-I378 VanDerWaalsContact O-CG1 3.3Å; Y374-I378 WeakPolarHBondContact O-CG1 3.23Å; Y374-I378 PolarHBondContact O-N 3.48Å; Y374-A387 HydrophobicContact CD1-CB 4.44Å; Y374-N390 HydrophobicContact CD1-CB 4.43Å; Y374-N390 HydrophobicContact CE1-CB 3.57Å; Y374-N390 HydrophobicContact CE2-CB 4.21Å; Y374-N390 VanDerWaalsContact CZ-CB 3.44Å; Y374-N390 WeakPolarHBondContact OH-CB 3.21Å; Y374-M391 HydrophobicContact CD2-CB 4.13Å; Y374-M391 HydrophobicContact CD2-CG 4.49Å; Y374-M391 HydrophobicContact CG-CB 3.97Å; Y374-M391 HydrophobicContact CG-CG 4.44Å; Y374-T394 WeakPolarHBondContact CE2-OG1 3.41Å |
| 375 | K | 96.4 | Very high | 93.5 | Very high | 121 Ų | 121 | 58.1 Ų | 58.1 | 53% | 0.526 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58.4 | -38.8 | 174.6 | -76.3 | 175.3 | 178.4 | 178.1 | 0 | 111.4 | L371 M372 I378 R379 M391 | L371-K375 HydrophobicContact CG-CD 4.49Å; L371-K375 WeakPolarHBondContact O-CG 3.42Å; L371-K375 PolarHBondContact O-N 3.16Å; M372-K375 PolarHBondContact O-N 2.85Å; K375-I378 PolarHBondContact O-N 3.37Å; K375-R379 WeakPolarHBondContact O-CB 3.29Å; K375-R379 PolarHBondContact O-N 3.2Å; K375-M391 HydrophobicContact CG-SD 4.04Å |
| 376 | E | 97.1 | Very high | 94.3 | Very high | 65 Ų | 65 | 59.3 Ų | 59.3 | 30% | 0.304 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -73.5 | -40 | 180 | -152.4 | 59 | -178.5 | 0 | 0 | 112.9 | M372 H373 Y374 I378 R379 I380 | M372-E376 PolarHBondContact O-N 3.09Å; M372-E376 VanDerWaalsContact O-N 3.09Å; H373-E376 PolarHBondContact O-N 3.21Å; Y374-E376 PolarHBondContact O-N 2.86Å; E376-I378 VanDerWaalsContact C-N 3.25Å; E376-I378 PolarHBondContact O-N 2.84Å; E376-R379 PolarHBondContact O-N 2.9Å; E376-R379 IonicContact OE1-CZ 3.73Å; E376-R379 IonicContact OE1-NE 3.13Å; E376-R379 PolarHBondContact OE1-NE 3.49Å; E376-R379 IonicContact OE1-NH2 3.98Å; E376-R379 PolarHBondContact OE1-NH2 2.91Å; E376-R379 IonicContact OE2-NE 2.75Å; E376-R379 PolarHBondContact OE2-NE 3.12Å; E376-I380 HydrophobicContact CG-CD1 4.39Å; E376-I380 WeakPolarHBondContact O-CD1 3.43Å; E376-I380 VanDerWaalsContact O-CG1 3.26Å; E376-I380 WeakPolarHBondContact O-CG1 3.46Å; E376-I380 PolarHBondContact O-N 2.84Å |
| 377 | A | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.1 | -41.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112 | A351 H354 H373 Y374 S381 F384 A387 | A351-A377 HydrophobicContact CB-CB 4.49Å; A351-A377 WeakPolarHBondContact O-CB 3.33Å; H354-A377 HydrophobicContact CB-CB 3.87Å; H373-A377 PolarHBondContact O-N 3.38Å; Y374-A377 PolarHBondContact O-N 2.96Å; A377-S381 PolarHBondContact O-N 3.24Å; A377-F384 HydrophobicContact CB-CD1 4.44Å; A377-A387 HydrophobicContact CB-CB 4.28Å |
| 378 | I | 96.2 | Very high | 95.3 | Very high | 18 Ų | 18 | 55.3 Ų | 55.3 | 9% | 0.092 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -72.1 | -37.1 | 177.8 | -69.4 | 164 | 0 | 0 | 0 | 111.8 | Y374 K375 E376 I380 S381 P382 A387 Y388 M391 | Y374-I378 WeakPolarHBondContact O-CD1 3.34Å; Y374-I378 VanDerWaalsContact O-CG1 3.3Å; Y374-I378 WeakPolarHBondContact O-CG1 3.23Å; Y374-I378 PolarHBondContact O-N 3.48Å; K375-I378 PolarHBondContact O-N 3.37Å; E376-I378 VanDerWaalsContact C-N 3.25Å; E376-I378 PolarHBondContact O-N 2.84Å; I378-I380 VanDerWaalsContact C-N 3.31Å; I378-I380 PolarHBondContact O-N 3.49Å; I378-S381 CarbonylContact O-C 3.55Å; I378-S381 PolarHBondContact O-N 3.26Å; I378-P382 VanDerWaalsContact O-CA 3.29Å; I378-P382 WeakPolarHBondContact O-CA 3.29Å; I378-P382 VanDerWaalsContact O-N 3.08Å; I378-A387 HydrophobicContact CD1-CB 4.48Å; I378-A387 HydrophobicContact CG1-CB 3.94Å; I378-Y388 HydrophobicContact CD1-CD1 3.77Å; I378-Y388 HydrophobicContact CD1-CD2 4.35Å; I378-Y388 HydrophobicContact CD1-CE1 3.87Å; I378-Y388 HydrophobicContact CD1-CE2 4.44Å; I378-Y388 HydrophobicContact CD1-CG 4.03Å; I378-Y388 HydrophobicContact CG1-CD1 4.48Å; I378-Y388 HydrophobicContact CG1-CD2 4.25Å; I378-Y388 HydrophobicContact CG1-CE1 4.36Å; I378-Y388 HydrophobicContact CG1-CE2 4.14Å; I378-Y388 HydrophobicContact CG1-CG 4.43Å; I378-Y388 HydrophobicContact CG2-CE1 3.92Å; I378-Y388 HydrophobicContact CG2-CE2 3.91Å; I378-Y388 VanDerWaalsContact CG2-CZ 3.41Å; I378-Y388 VanDerWaalsContact CG2-OH 3.22Å; I378-Y388 WeakPolarHBondContact CG2-OH 3.32Å; I378-M391 HydrophobicContact CD1-CE 3.59Å; I378-M391 HydrophobicContact CD1-SD 3.77Å |
| 379 | R | 97.1 | Very high | 95.6 | Very high | 137 Ų | 137 | 49.3 Ų | 49.3 | 52% | 0.517 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.9 | -43.7 | 175.3 | -172.6 | -169.1 | 65.9 | 71.4 | -1.7 | 110.8 | K375 E376 | K375-R379 WeakPolarHBondContact O-CB 3.29Å; K375-R379 PolarHBondContact O-N 3.2Å; E376-R379 PolarHBondContact O-N 2.9Å; E376-R379 IonicContact OE1-CZ 3.73Å; E376-R379 IonicContact OE1-NE 3.13Å; E376-R379 PolarHBondContact OE1-NE 3.49Å; E376-R379 IonicContact OE1-NH2 3.98Å; E376-R379 PolarHBondContact OE1-NH2 2.91Å; E376-R379 IonicContact OE2-NE 2.75Å; E376-R379 PolarHBondContact OE2-NE 3.12Å |
| 380 | I | 95.8 | Very high | 95.7 | Very high | 44 Ų | 44 | 47.8 Ų | 47.8 | 23% | 0.226 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70.6 | -45.6 | 178.7 | -64 | 158.8 | 0 | 0 | 0 | 110.5 | E349 A351 E376 I378 | E349-I380 HydrophobicContact CB-CG2 4.37Å; E349-I380 WeakPolarHBondContact O-CG2 3.41Å; A351-I380 HydrophobicContact CB-CB 4.13Å; A351-I380 HydrophobicContact CB-CG2 3.9Å; E376-I380 HydrophobicContact CG-CD1 4.39Å; E376-I380 WeakPolarHBondContact O-CD1 3.43Å; E376-I380 VanDerWaalsContact O-CG1 3.26Å; E376-I380 WeakPolarHBondContact O-CG1 3.46Å; E376-I380 PolarHBondContact O-N 2.84Å; I378-I380 VanDerWaalsContact C-N 3.31Å; I378-I380 PolarHBondContact O-N 3.49Å |
| 381 | S | 95 | Very high | 95.8 | Very high | 37 Ų | 37 | 48.7 Ų | 48.7 | 26% | 0.259 | 24% | 0.244 | S | C | . | . | trans | -128.7 | 89.7 | -179.5 | -170.7 | 0 | 0 | 0 | 0 | 111.6 | A377 I378 T383 F384 | A377-S381 PolarHBondContact O-N 3.24Å; I378-S381 CarbonylContact O-C 3.55Å; I378-S381 PolarHBondContact O-N 3.26Å; S381-T383 PolarHBondContact O-N 2.76Å; S381-F384 VanDerWaalsContact O-CB 3.29Å; S381-F384 WeakPolarHBondContact O-CB 3.33Å; S381-F384 PolarHBondContact O-N 3.1Å | ||
| 382 | P | 95.1 | Very high | 95.8 | Very high | 70 Ų | 70 | 48 Ų | 48 | 46% | 0.455 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -8.5 | -178.9 | -24.8 | 35.2 | 0 | 0 | 0 | 115.1 | I378 Y388 I414 | I378-P382 VanDerWaalsContact O-CA 3.29Å; I378-P382 WeakPolarHBondContact O-CA 3.29Å; I378-P382 VanDerWaalsContact O-N 3.08Å; P382-Y388 WeakPolarHBondContact O-CE2 3.32Å; P382-I414 WeakPolarHBondContact O-CD1 3.38Å |
| 383 | T | 94.9 | Very high | 95.6 | Very high | 101 Ų | 101 | 43.4 Ų | 43.4 | 62% | 0.62 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | 12.8 | 176.9 | 53.2 | 0 | 0 | 0 | 0 | 112.4 | S381 A385 I414 | S381-T383 PolarHBondContact O-N 2.76Å; T383-A385 PolarHBondContact O-N 3.25Å; T383-A385 VanDerWaalsContact O-N 3.08Å; T383-I414 WeakPolarHBondContact O-CG2 3.38Å |
| 384 | F | 94.3 | Very high | 95.4 | Very high | 46 Ų | 46 | 41.3 Ų | 41.3 | 20% | 0.202 | 21% | 0.209 | C | C | . | . | trans | -82.2 | 85.7 | 179.9 | -164.4 | -179.1 | 0 | 0 | 0 | 111.9 | A351 A377 S381 D386 A387 Y388 | A351-F384 HydrophobicContact CB-CD1 4.25Å; A351-F384 HydrophobicContact CB-CE1 4.46Å; A377-F384 HydrophobicContact CB-CD1 4.44Å; S381-F384 VanDerWaalsContact O-CB 3.29Å; S381-F384 WeakPolarHBondContact O-CB 3.33Å; S381-F384 PolarHBondContact O-N 3.1Å; F384-D386 HydrophobicContact CD2-CB 4.18Å; F384-D386 HydrophobicContact CE2-CB 3.79Å; F384-D386 PolarHBondContact O-N 3.45Å; F384-A387 HydrophobicContact CB-CB 4.13Å; F384-A387 HydrophobicContact CD1-CB 3.68Å; F384-A387 HydrophobicContact CD2-CB 4.42Å; F384-A387 HydrophobicContact CE1-CB 4.2Å; F384-A387 HydrophobicContact CG-CB 3.8Å; F384-A387 PolarHBondContact O-N 2.94Å; F384-Y388 WeakPolarHBondContact O-CD2 3.47Å; F384-Y388 PolarHBondContact O-N 3.31Å | ||
| 385 | A | 94.4 | Very high | 95.2 | Very high | 7 Ų | 7 | 41.9 Ų | 41.9 | 6% | 0.058 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.7 | -41.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | T383 A387 Y388 S389 I414 N415 F418 | T383-A385 PolarHBondContact O-N 3.25Å; T383-A385 VanDerWaalsContact O-N 3.08Å; A385-A387 VanDerWaalsContact C-N 3.33Å; A385-A387 PolarHBondContact O-N 3.3Å; A385-Y388 PolarHBondContact O-N 3.05Å; A385-S389 PolarHBondContact O-N 3.35Å; A385-I414 HydrophobicContact CB-CB 4.29Å; A385-I414 HydrophobicContact CB-CG2 3.96Å; A385-N415 HydrophobicContact CB-CB 4.02Å; A385-F418 HydrophobicContact CB-CD1 4.08Å; A385-F418 HydrophobicContact CB-CE1 4.21Å |
| 386 | D | 93.6 | Very high | 94.8 | Very high | 78 Ų | 78 | 39.4 Ų | 39.4 | 42% | 0.417 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.9 | -38.7 | 178.5 | -61.2 | -84.5 | 0 | 0 | 0 | 112.7 | F384 Y388 S389 N390 F418 | F384-D386 HydrophobicContact CD2-CB 4.18Å; F384-D386 HydrophobicContact CE2-CB 3.79Å; F384-D386 PolarHBondContact O-N 3.45Å; D386-Y388 VanDerWaalsContact C-N 3.35Å; D386-Y388 PolarHBondContact O-N 3.43Å; D386-S389 PolarHBondContact O-N 2.99Å; D386-N390 WeakPolarHBondContact O-CB 3.29Å; D386-N390 VanDerWaalsContact O-CG 3.29Å; D386-N390 PolarHBondContact O-N 2.94Å; D386-N390 PolarHBondContact O-ND2 3.49Å; D386-F418 VanDerWaalsContact OD1-CZ 3.3Å; D386-F418 WeakPolarHBondContact OD1-CZ 3.34Å |
| 387 | A | 94.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.8 | -40.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y374 A377 I378 F384 A385 M391 | Y374-A387 HydrophobicContact CD1-CB 4.44Å; A377-A387 HydrophobicContact CB-CB 4.28Å; I378-A387 HydrophobicContact CD1-CB 4.48Å; I378-A387 HydrophobicContact CG1-CB 3.94Å; F384-A387 HydrophobicContact CB-CB 4.13Å; F384-A387 HydrophobicContact CD1-CB 3.68Å; F384-A387 HydrophobicContact CD2-CB 4.42Å; F384-A387 HydrophobicContact CE1-CB 4.2Å; F384-A387 HydrophobicContact CG-CB 3.8Å; F384-A387 PolarHBondContact O-N 2.94Å; A385-A387 VanDerWaalsContact C-N 3.33Å; A385-A387 PolarHBondContact O-N 3.3Å; A387-M391 WeakPolarHBondContact O-CB 3.34Å; A387-M391 PolarHBondContact O-N 3.42Å |
| 388 | Y | 97.1 | Very high | 93.7 | Very high | 35 Ų | 35 | 44.3 Ų | 44.3 | 14% | 0.137 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.7 | -46.9 | 172.2 | -78.8 | -77 | 0 | 0 | 0 | 111.9 | I378 P382 F384 A385 D386 N390 M391 G392 C407 R410 I414 | I378-Y388 HydrophobicContact CD1-CD1 3.77Å; I378-Y388 HydrophobicContact CD1-CD2 4.35Å; I378-Y388 HydrophobicContact CD1-CE1 3.87Å; I378-Y388 HydrophobicContact CD1-CE2 4.44Å; I378-Y388 HydrophobicContact CD1-CG 4.03Å; I378-Y388 HydrophobicContact CG1-CD1 4.48Å; I378-Y388 HydrophobicContact CG1-CD2 4.25Å; I378-Y388 HydrophobicContact CG1-CE1 4.36Å; I378-Y388 HydrophobicContact CG1-CE2 4.14Å; I378-Y388 HydrophobicContact CG1-CG 4.43Å; I378-Y388 HydrophobicContact CG2-CE1 3.92Å; I378-Y388 HydrophobicContact CG2-CE2 3.91Å; I378-Y388 VanDerWaalsContact CG2-CZ 3.41Å; I378-Y388 VanDerWaalsContact CG2-OH 3.22Å; I378-Y388 WeakPolarHBondContact CG2-OH 3.32Å; P382-Y388 WeakPolarHBondContact O-CE2 3.32Å; F384-Y388 WeakPolarHBondContact O-CD2 3.47Å; F384-Y388 PolarHBondContact O-N 3.31Å; A385-Y388 PolarHBondContact O-N 3.05Å; D386-Y388 VanDerWaalsContact C-N 3.35Å; D386-Y388 PolarHBondContact O-N 3.43Å; Y388-N390 PolarHBondContact O-N 3.22Å; Y388-M391 HydrophobicContact CD1-CE 4.39Å; Y388-M391 PolarHBondContact O-N 2.93Å; Y388-G392 PolarHBondContact O-N 2.77Å; Y388-C407 WeakPolarHBondContact O-CB 2.95Å; Y388-R410 HydrophobicContact CD1-CB 4.03Å; Y388-R410 HydrophobicContact CD1-CG 3.87Å; Y388-R410 HydrophobicContact CD2-CG 4.18Å; Y388-R410 HydrophobicContact CE1-CB 4.17Å; Y388-R410 HydrophobicContact CE1-CG 3.61Å; Y388-R410 HydrophobicContact CE2-CG 3.93Å; Y388-R410 HydrophobicContact CG-CB 4.37Å; Y388-R410 HydrophobicContact CG-CG 4.14Å; Y388-I414 HydrophobicContact CD2-CD1 3.62Å; Y388-I414 HydrophobicContact CE2-CD1 3.51Å |
| 389 | S | 95.7 | Very high | 93.1 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.014 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.8 | -46.4 | 179.6 | -169.8 | 0 | 0 | 0 | 0 | 111.8 | A385 D386 G392 N393 Y408 | A385-S389 PolarHBondContact O-N 3.35Å; D386-S389 PolarHBondContact O-N 2.99Å; S389-G392 WeakPolarHBondContact O-CA 3.43Å; S389-G392 PolarHBondContact O-N 3.41Å; S389-G392 VanDerWaalsContact O-N 3.16Å; S389-N393 PolarHBondContact O-N 3.19Å; S389-Y408 VanDerWaalsContact O-CE1 3.29Å; S389-Y408 WeakPolarHBondContact O-CE1 3.49Å |
| 390 | N | 94.8 | Very high | 92.7 | Very high | 47 Ų | 47 | 48.2 Ų | 48.2 | 25% | 0.251 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69.7 | -36.4 | 179.8 | -66.7 | -25.6 | 0 | 0 | 0 | 112.8 | Y374 D386 Y388 G392 N393 T394 | Y374-N390 HydrophobicContact CD1-CB 4.43Å; Y374-N390 HydrophobicContact CE1-CB 3.57Å; Y374-N390 HydrophobicContact CE2-CB 4.21Å; Y374-N390 VanDerWaalsContact CZ-CB 3.44Å; Y374-N390 WeakPolarHBondContact OH-CB 3.21Å; D386-N390 WeakPolarHBondContact O-CB 3.29Å; D386-N390 VanDerWaalsContact O-CG 3.29Å; D386-N390 PolarHBondContact O-N 2.94Å; D386-N390 PolarHBondContact O-ND2 3.49Å; Y388-N390 PolarHBondContact O-N 3.22Å; N390-G392 VanDerWaalsContact C-N 3.28Å; N390-G392 PolarHBondContact O-N 3.24Å; N390-N393 WeakPolarHBondContact O-CB 3.46Å; N390-N393 PolarHBondContact O-N 2.93Å; N390-T394 PolarHBondContact O-N 3.41Å; N390-T394 PolarHBondContact O-OG1 2.8Å |
| 391 | M | 96.4 | Very high | 92.4 | Very high | 19 Ų | 19 | 48.8 Ų | 48.8 | 9% | 0.094 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.9 | -40.5 | 169.9 | -170.1 | 169.6 | 75 | 0 | 0 | 111.3 | L371 Y374 K375 I378 A387 Y388 N393 T394 L395 C407 | L371-M391 HydrophobicContact CD1-CG 3.52Å; L371-M391 HydrophobicContact CD1-SD 3.78Å; Y374-M391 HydrophobicContact CD2-CB 4.13Å; Y374-M391 HydrophobicContact CD2-CG 4.49Å; Y374-M391 HydrophobicContact CG-CB 3.97Å; Y374-M391 HydrophobicContact CG-CG 4.44Å; K375-M391 HydrophobicContact CG-SD 4.04Å; I378-M391 HydrophobicContact CD1-CE 3.59Å; I378-M391 HydrophobicContact CD1-SD 3.77Å; A387-M391 WeakPolarHBondContact O-CB 3.34Å; A387-M391 PolarHBondContact O-N 3.42Å; Y388-M391 HydrophobicContact CD1-CE 4.39Å; Y388-M391 PolarHBondContact O-N 2.93Å; M391-N393 VanDerWaalsContact C-N 3.33Å; M391-N393 PolarHBondContact O-N 3.02Å; M391-T394 WeakPolarHBondContact O-CB 3.47Å; M391-T394 PolarHBondContact O-N 3.14Å; M391-L395 HydrophobicContact CG-CD1 4.17Å; M391-L395 HydrophobicContact CG-CG 4.49Å; M391-L395 WeakPolarHBondContact O-CG 3.36Å; M391-L395 PolarHBondContact O-N 3.11Å; M391-C407 WeakPolarHBondContact CE-SG 3.42Å |
| 392 | G | 95.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.1 | -42 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y388 S389 N390 L395 K396 A404 Y408 | Y388-G392 PolarHBondContact O-N 2.77Å; S389-G392 WeakPolarHBondContact O-CA 3.43Å; S389-G392 PolarHBondContact O-N 3.41Å; S389-G392 VanDerWaalsContact O-N 3.16Å; N390-G392 VanDerWaalsContact C-N 3.28Å; N390-G392 PolarHBondContact O-N 3.24Å; G392-L395 PolarHBondContact O-N 3.04Å; G392-K396 WeakPolarHBondContact O-CB 3.36Å; G392-K396 PolarHBondContact O-N 3.31Å; G392-A404 VanDerWaalsContact O-CB 3.32Å; G392-A404 WeakPolarHBondContact O-CB 3.31Å; G392-Y408 VanDerWaalsContact C-OH 3.22Å; G392-Y408 PolarHBondContact O-OH 3.21Å |
| 393 | N | 92.4 | Very high | 92.2 | Very high | 40 Ų | 40 | 50.3 Ų | 50.3 | 21% | 0.214 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.1 | -44 | 174.7 | -65.1 | -22.6 | 0 | 0 | 0 | 111.7 | S389 N390 M391 K396 E397 Y408 N424 | S389-N393 PolarHBondContact O-N 3.19Å; N390-N393 WeakPolarHBondContact O-CB 3.46Å; N390-N393 PolarHBondContact O-N 2.93Å; M391-N393 VanDerWaalsContact C-N 3.33Å; M391-N393 PolarHBondContact O-N 3.02Å; N393-K396 WeakPolarHBondContact O-CB 3.26Å; N393-K396 PolarHBondContact O-N 2.84Å; N393-E397 PolarHBondContact O-N 3.45Å; N393-Y408 WeakPolarHBondContact CA-OH 3.43Å; N393-Y408 PolarHBondContact N-OH 3.41Å; N393-Y408 WeakPolarHBondContact OD1-CE1 3.29Å; N393-Y408 PolarHBondContact OD1-OH 2.71Å; N393-N424 PolarHBondContact OD1-ND2 2.85Å |
| 394 | T | 92.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.8 | -44.7 | 176.9 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | Q362 L367 A370 Y374 N390 M391 K396 E397 M398 | Q362-T394 VanDerWaalsContact CD-OG1 3.31Å; Q362-T394 PolarHBondContact OE1-OG1 3.02Å; L367-T394 HydrophobicContact CB-CG2 4.21Å; L367-T394 HydrophobicContact CD2-CG2 4.38Å; A370-T394 HydrophobicContact CB-CG2 4.32Å; Y374-T394 WeakPolarHBondContact CE2-OG1 3.41Å; N390-T394 PolarHBondContact O-N 3.41Å; N390-T394 PolarHBondContact O-OG1 2.8Å; M391-T394 WeakPolarHBondContact O-CB 3.47Å; M391-T394 PolarHBondContact O-N 3.14Å; T394-K396 VanDerWaalsContact C-N 3.35Å; T394-K396 PolarHBondContact O-N 3.3Å; T394-E397 PolarHBondContact O-N 3.22Å; T394-M398 HydrophobicContact CG2-SD 4.19Å; T394-M398 WeakPolarHBondContact O-CG 3.34Å; T394-M398 PolarHBondContact O-N 3.23Å |
| 395 | L | 92.9 | Very high | 92.2 | Very high | 13 Ų | 13 | 45.6 Ų | 45.6 | 7% | 0.068 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.8 | -38.4 | 177.3 | -70.8 | 170 | 0 | 0 | 0 | 112 | L371 M391 G392 M398 Q399 D400 A404 | L371-L395 HydrophobicContact CD1-CD1 4.49Å; L371-L395 HydrophobicContact CD1-CD2 3.83Å; L371-L395 HydrophobicContact CD1-CG 4.09Å; L371-L395 HydrophobicContact CD2-CD2 3.98Å; M391-L395 HydrophobicContact CG-CD1 4.17Å; M391-L395 HydrophobicContact CG-CG 4.49Å; M391-L395 WeakPolarHBondContact O-CG 3.36Å; M391-L395 PolarHBondContact O-N 3.11Å; G392-L395 PolarHBondContact O-N 3.04Å; L395-M398 CarbonylContact O-C 3.15Å; L395-M398 WeakPolarHBondContact O-CA 2.96Å; L395-M398 PolarHBondContact O-N 3Å; L395-Q399 PolarHBondContact O-N 3.48Å; L395-Q399 VanDerWaalsContact O-N 3.13Å; L395-D400 HydrophobicContact CB-CB 4.28Å; L395-D400 HydrophobicContact CD2-CB 4.17Å; L395-D400 PolarHBondContact O-N 3.08Å; L395-A404 HydrophobicContact CB-CB 4.15Å |
| 396 | K | 88.8 | Confident | 92.3 | Very high | 68 Ų | 68 | 51.5 Ų | 51.5 | 30% | 0.296 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.9 | -44.9 | 173.3 | -176.5 | -173.8 | -179.9 | -175.2 | 0 | 111.5 | G392 N393 T394 M398 Q399 A404 S427 I428 D431 | G392-K396 WeakPolarHBondContact O-CB 3.36Å; G392-K396 PolarHBondContact O-N 3.31Å; N393-K396 WeakPolarHBondContact O-CB 3.26Å; N393-K396 PolarHBondContact O-N 2.84Å; T394-K396 VanDerWaalsContact C-N 3.35Å; T394-K396 PolarHBondContact O-N 3.3Å; K396-M398 VanDerWaalsContact C-N 3.28Å; K396-M398 PolarHBondContact O-N 3.4Å; K396-Q399 WeakPolarHBondContact O-CA 3.17Å; K396-Q399 PolarHBondContact O-N 3.27Å; K396-A404 HydrophobicContact CB-CB 4.17Å; K396-S427 PolarHBondContact NZ-OG 3.02Å; K396-I428 HydrophobicContact CB-CD1 4.32Å; K396-I428 HydrophobicContact CD-CD1 3.7Å; K396-I428 HydrophobicContact CG-CD1 3.75Å; K396-D431 IonicContact NZ-OD2 2.74Å |
| 397 | E | 84.6 | Confident | 92.4 | Very high | 109 Ų | 109 | 48.2 Ų | 48.2 | 51% | 0.509 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.1 | -34.5 | 175.2 | -73.4 | 177.9 | -147 | 0 | 0 | 112.4 | Q362 L367 N393 T394 Q399 | Q362-E397 PolarHBondContact NE2-OE1 3.39Å; L367-E397 HydrophobicContact CD1-CB 4.08Å; L367-E397 WeakPolarHBondContact CD2-OE2 3.3Å; N393-E397 PolarHBondContact O-N 3.45Å; T394-E397 PolarHBondContact O-N 3.22Å; E397-Q399 PolarHBondContact O-N 2.99Å |
| 398 | M | 84.8 | Confident | 92.5 | Very high | 59 Ų | 59 | 48.2 Ų | 48.2 | 29% | 0.291 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 1.7 | 172.6 | -65.6 | 175.5 | 57.8 | 0 | 0 | 113.9 | L367 L371 T394 L395 K396 D400 | L367-M398 HydrophobicContact CB-CG 3.79Å; L367-M398 HydrophobicContact CB-SD 3.86Å; L367-M398 HydrophobicContact CD1-CG 3.62Å; L367-M398 HydrophobicContact CG-CG 4.34Å; L371-M398 HydrophobicContact CD2-CE 4.37Å; L371-M398 HydrophobicContact CD2-SD 4.37Å; T394-M398 HydrophobicContact CG2-SD 4.19Å; T394-M398 WeakPolarHBondContact O-CG 3.34Å; T394-M398 PolarHBondContact O-N 3.23Å; L395-M398 CarbonylContact O-C 3.15Å; L395-M398 WeakPolarHBondContact O-CA 2.96Å; L395-M398 PolarHBondContact O-N 3Å; K396-M398 VanDerWaalsContact C-N 3.28Å; K396-M398 PolarHBondContact O-N 3.4Å; M398-D400 PolarHBondContact O-N 2.99Å |
| 399 | Q | 84.1 | Confident | 92.4 | Very high | 167 Ų | 167 | 49 Ų | 49 | 78% | 0.78 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | 14.8 | -175.3 | -51.8 | -177.4 | -4.8 | 0 | 0 | 115.1 | L395 K396 E397 V401 | L395-Q399 PolarHBondContact O-N 3.48Å; L395-Q399 VanDerWaalsContact O-N 3.13Å; K396-Q399 WeakPolarHBondContact O-CA 3.17Å; K396-Q399 PolarHBondContact O-N 3.27Å; E397-Q399 PolarHBondContact O-N 2.99Å; Q399-V401 VanDerWaalsContact C-N 3.35Å; Q399-V401 PolarHBondContact O-N 2.99Å; Q399-V401 VanDerWaalsContact O-N 3.12Å |
| 400 | D | 89.4 | Confident | 92.5 | Very high | 71 Ų | 71 | 53.8 Ų | 53.8 | 38% | 0.38 | 26% | 0.264 | S | S | . | . | trans | -84.1 | 79 | 169.1 | -177.1 | 6.2 | 0 | 0 | 0 | 110.5 | L395 M398 Q402 G403 A404 | L395-D400 HydrophobicContact CB-CB 4.28Å; L395-D400 HydrophobicContact CD2-CB 4.17Å; L395-D400 PolarHBondContact O-N 3.08Å; M398-D400 PolarHBondContact O-N 2.99Å; D400-Q402 VanDerWaalsContact C-N 3.33Å; D400-Q402 PolarHBondContact O-N 3.45Å; D400-Q402 PolarHBondContact OD1-N 3.37Å; D400-G403 PolarHBondContact OD1-N 2.92Å; D400-A404 WeakPolarHBondContact O-CB 3.35Å; D400-A404 PolarHBondContact O-N 2.82Å | ||
| 401 | V | 90.1 | Very high | 92.6 | Very high | 56 Ų | 56 | 51.5 Ų | 51.5 | 34% | 0.339 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64 | -37.2 | -177.7 | 178.9 | 0 | 0 | 0 | 0 | 112.1 | Q399 A404 L405 I428 | Q399-V401 VanDerWaalsContact C-N 3.35Å; Q399-V401 PolarHBondContact O-N 2.99Å; Q399-V401 VanDerWaalsContact O-N 3.12Å; V401-A404 PolarHBondContact O-N 2.84Å; V401-L405 WeakPolarHBondContact O-CB 3.33Å; V401-L405 PolarHBondContact O-N 3.01Å; V401-I428 HydrophobicContact CG1-CD1 4.48Å; V401-I428 HydrophobicContact CG1-CG2 3.68Å |
| 402 | Q | 92.1 | Very high | 92.6 | Very high | 128 Ų | 128 | 51.9 Ų | 51.9 | 60% | 0.598 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -70.2 | -45 | -178.9 | -69.9 | -62.4 | -31.5 | 0 | 0 | 111 | D400 A404 L405 Q406 | D400-Q402 VanDerWaalsContact C-N 3.33Å; D400-Q402 PolarHBondContact O-N 3.45Å; D400-Q402 PolarHBondContact OD1-N 3.37Å; Q402-A404 VanDerWaalsContact C-N 3.33Å; Q402-A404 PolarHBondContact O-N 2.94Å; Q402-L405 PolarHBondContact O-N 3.35Å; Q402-Q406 WeakPolarHBondContact O-CG 3.42Å; Q402-Q406 PolarHBondContact O-N 3.47Å; Q402-Q406 VanDerWaalsContact O-N 3.1Å |
| 403 | G | 93.8 | Very high | 92.7 | Very high | 10 Ų | 10 | 57.5 Ų | 57.5 | 10% | 0.103 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59 | -44.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D400 L405 Q406 C407 | D400-G403 PolarHBondContact OD1-N 2.92Å; G403-L405 PolarHBondContact O-N 2.94Å; G403-Q406 PolarHBondContact O-N 3.44Å; G403-C407 PolarHBondContact O-N 2.74Å; G403-C407 PolarHBondContact O-SG 2.94Å |
| 404 | A | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.5 | -46 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G392 L395 K396 D400 V401 Q402 Q406 C407 Y408 I428 | G392-A404 VanDerWaalsContact O-CB 3.32Å; G392-A404 WeakPolarHBondContact O-CB 3.31Å; L395-A404 HydrophobicContact CB-CB 4.15Å; K396-A404 HydrophobicContact CB-CB 4.17Å; D400-A404 WeakPolarHBondContact O-CB 3.35Å; D400-A404 PolarHBondContact O-N 2.82Å; V401-A404 PolarHBondContact O-N 2.84Å; Q402-A404 VanDerWaalsContact C-N 3.33Å; Q402-A404 PolarHBondContact O-N 2.94Å; A404-Q406 PolarHBondContact O-N 3.26Å; A404-C407 WeakPolarHBondContact O-CB 3.23Å; A404-C407 PolarHBondContact O-N 3.06Å; A404-Y408 HydrophobicContact CB-CE2 3.96Å; A404-Y408 WeakPolarHBondContact O-CD2 3.45Å; A404-Y408 PolarHBondContact O-N 3.4Å; A404-I428 HydrophobicContact CB-CD1 4.37Å |
| 405 | L | 93.8 | Very high | 93 | Very high | 49 Ų | 49 | 61 Ų | 61 | 26% | 0.257 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.3 | -42 | 179 | -173.6 | 128.5 | 0 | 0 | 0 | 112.3 | V401 Q402 G403 C407 T409 L425 I428 | V401-L405 WeakPolarHBondContact O-CB 3.33Å; V401-L405 PolarHBondContact O-N 3.01Å; Q402-L405 PolarHBondContact O-N 3.35Å; G403-L405 PolarHBondContact O-N 2.94Å; L405-C407 VanDerWaalsContact C-N 3.33Å; L405-C407 PolarHBondContact O-N 3.46Å; L405-T409 VanDerWaalsContact O-CB 3.32Å; L405-T409 WeakPolarHBondContact O-CB 3.47Å; L405-T409 PolarHBondContact O-N 3.49Å; L405-T409 PolarHBondContact O-OG1 3.35Å; L405-L425 HydrophobicContact CD1-CD1 4.01Å; L405-L425 HydrophobicContact CG-CD1 4.02Å; L405-I428 HydrophobicContact CD1-CG2 4.05Å |
| 406 | Q | 95.1 | Very high | 93.1 | Very high | 130 Ų | 130 | 64.6 Ų | 64.6 | 61% | 0.607 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -62.1 | -42.4 | 175.2 | -69.5 | 174.3 | 11.6 | 0 | 0 | 111.6 | Q402 G403 A404 T409 R410 | Q402-Q406 WeakPolarHBondContact O-CG 3.42Å; Q402-Q406 PolarHBondContact O-N 3.47Å; Q402-Q406 VanDerWaalsContact O-N 3.1Å; G403-Q406 PolarHBondContact O-N 3.44Å; A404-Q406 PolarHBondContact O-N 3.26Å; Q406-T409 PolarHBondContact O-N 3.11Å; Q406-R410 WeakPolarHBondContact O-CB 3.27Å; Q406-R410 PolarHBondContact O-N 3.32Å |
| 407 | C | 96.8 | Very high | 93.4 | Very high | 9 Ų | 9 | 64.3 Ų | 64.3 | 6% | 0.061 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.6 | -49.6 | 179 | -67.1 | 0 | 0 | 0 | 0 | 112.3 | Y388 M391 G403 A404 L405 T409 R410 A411 | Y388-C407 WeakPolarHBondContact O-CB 2.95Å; M391-C407 WeakPolarHBondContact CE-SG 3.42Å; G403-C407 PolarHBondContact O-N 2.74Å; G403-C407 PolarHBondContact O-SG 2.94Å; A404-C407 WeakPolarHBondContact O-CB 3.23Å; A404-C407 PolarHBondContact O-N 3.06Å; L405-C407 VanDerWaalsContact C-N 3.33Å; L405-C407 PolarHBondContact O-N 3.46Å; C407-T409 PolarHBondContact O-N 3.07Å; C407-R410 PolarHBondContact O-N 3.36Å; C407-A411 PolarHBondContact O-N 2.67Å |
| 408 | Y | 96.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 60.1 Ų | 60.1 | 0% | 0.004 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 178.1 | -58.7 | -48.2 | 0 | 0 | 0 | 112 | S389 G392 N393 A404 R410 A411 I412 N424 I428 | S389-Y408 VanDerWaalsContact O-CE1 3.29Å; S389-Y408 WeakPolarHBondContact O-CE1 3.49Å; G392-Y408 VanDerWaalsContact C-OH 3.22Å; G392-Y408 PolarHBondContact O-OH 3.21Å; N393-Y408 WeakPolarHBondContact CA-OH 3.43Å; N393-Y408 PolarHBondContact N-OH 3.41Å; N393-Y408 WeakPolarHBondContact OD1-CE1 3.29Å; N393-Y408 PolarHBondContact OD1-OH 2.71Å; A404-Y408 HydrophobicContact CB-CE2 3.96Å; A404-Y408 WeakPolarHBondContact O-CD2 3.45Å; A404-Y408 PolarHBondContact O-N 3.4Å; Y408-R410 VanDerWaalsContact C-N 3.29Å; Y408-R410 PolarHBondContact O-N 2.96Å; Y408-A411 PolarHBondContact O-N 2.6Å; Y408-I412 WeakPolarHBondContact O-CG1 3.32Å; Y408-I412 PolarHBondContact O-N 2.81Å; Y408-N424 HydrophobicContact CD1-CB 3.78Å; Y408-N424 HydrophobicContact CD2-CB 4.3Å; Y408-N424 HydrophobicContact CE1-CB 3.41Å; Y408-N424 VanDerWaalsContact CE1-CB 3.41Å; Y408-N424 HydrophobicContact CE2-CB 3.99Å; Y408-N424 HydrophobicContact CG-CB 4.21Å; Y408-I428 HydrophobicContact CD2-CG1 4.15Å; Y408-I428 HydrophobicContact CE2-CD1 4.39Å; Y408-I428 HydrophobicContact CE2-CG1 3.74Å |
| 409 | T | 95.8 | Very high | 94.5 | Very high | 50 Ų | 50 | 57.7 Ų | 57.7 | 31% | 0.307 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.4 | -43 | 175.8 | -57.3 | 0 | 0 | 0 | 0 | 110.8 | L405 Q406 C407 I412 Q413 | L405-T409 VanDerWaalsContact O-CB 3.32Å; L405-T409 WeakPolarHBondContact O-CB 3.47Å; L405-T409 PolarHBondContact O-N 3.49Å; L405-T409 PolarHBondContact O-OG1 3.35Å; Q406-T409 PolarHBondContact O-N 3.11Å; C407-T409 PolarHBondContact O-N 3.07Å; T409-I412 PolarHBondContact O-N 2.97Å; T409-Q413 WeakPolarHBondContact O-CG 3.44Å; T409-Q413 PolarHBondContact O-N 2.84Å |
| 410 | R | 96.7 | Very high | 95 | Very high | 103 Ų | 103 | 52.7 Ų | 52.7 | 39% | 0.389 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67 | -41.3 | 177.6 | -173.9 | 56.3 | 178.4 | 172.7 | 3.6 | 112.3 | Y388 Q406 C407 Y408 I412 Q413 I414 | Y388-R410 HydrophobicContact CD1-CB 4.03Å; Y388-R410 HydrophobicContact CD1-CG 3.87Å; Y388-R410 HydrophobicContact CD2-CG 4.18Å; Y388-R410 HydrophobicContact CE1-CB 4.17Å; Y388-R410 HydrophobicContact CE1-CG 3.61Å; Y388-R410 HydrophobicContact CE2-CG 3.93Å; Y388-R410 HydrophobicContact CG-CB 4.37Å; Y388-R410 HydrophobicContact CG-CG 4.14Å; Q406-R410 WeakPolarHBondContact O-CB 3.27Å; Q406-R410 PolarHBondContact O-N 3.32Å; C407-R410 PolarHBondContact O-N 3.36Å; Y408-R410 VanDerWaalsContact C-N 3.29Å; Y408-R410 PolarHBondContact O-N 2.96Å; R410-I412 VanDerWaalsContact C-N 3.28Å; R410-I412 PolarHBondContact O-N 3.26Å; R410-Q413 VanDerWaalsContact NH1-OE1 3.14Å; R410-Q413 PolarHBondContact O-N 3.03Å; R410-I414 HydrophobicContact CG-CD1 3.98Å; R410-I414 VanDerWaalsContact O-CG1 3.31Å; R410-I414 WeakPolarHBondContact O-CG1 3.39Å; R410-I414 PolarHBondContact O-N 3.46Å |
| 411 | A | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.6 | -42.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | C407 Y408 I414 N415 F418 A421 | C407-A411 PolarHBondContact O-N 2.67Å; Y408-A411 PolarHBondContact O-N 2.6Å; A411-I414 PolarHBondContact O-N 3.35Å; A411-N415 PolarHBondContact O-N 3.03Å; A411-F418 HydrophobicContact CB-CD1 4.26Å; A411-A421 HydrophobicContact CB-CB 4.06Å |
| 412 | I | 96.7 | Very high | 95.6 | Very high | 27 Ų | 27 | 47.7 Ų | 47.7 | 14% | 0.138 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.5 | -37.9 | 176.7 | -66.1 | 163.2 | 0 | 0 | 0 | 111.9 | Y408 T409 R410 I414 N415 P416 A421 L425 | Y408-I412 WeakPolarHBondContact O-CG1 3.32Å; Y408-I412 PolarHBondContact O-N 2.81Å; T409-I412 PolarHBondContact O-N 2.97Å; R410-I412 VanDerWaalsContact C-N 3.28Å; R410-I412 PolarHBondContact O-N 3.26Å; I412-I414 VanDerWaalsContact C-N 3.29Å; I412-I414 PolarHBondContact O-N 2.75Å; I412-N415 CarbonylContact O-C 3.58Å; I412-N415 PolarHBondContact O-N 3.45Å; I412-P416 WeakPolarHBondContact O-CA 3.45Å; I412-P416 WeakPolarHBondContact O-CD 3.4Å; I412-A421 HydrophobicContact CD1-CB 4.42Å; I412-A421 HydrophobicContact CG1-CB 3.83Å; I412-L425 HydrophobicContact CD1-CB 4.36Å; I412-L425 HydrophobicContact CD1-CD2 3.69Å |
| 413 | Q | 96.8 | Very high | 95.8 | Very high | 118 Ų | 118 | 41.9 Ų | 41.9 | 55% | 0.551 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -62.5 | -37.8 | 175.1 | -75.5 | 174 | -3.3 | 0 | 0 | 112.3 | T409 R410 | T409-Q413 WeakPolarHBondContact O-CG 3.44Å; T409-Q413 PolarHBondContact O-N 2.84Å; R410-Q413 VanDerWaalsContact NH1-OE1 3.14Å; R410-Q413 PolarHBondContact O-N 3.03Å |
| 414 | I | 96 | Very high | 95.9 | Very high | 47 Ų | 47 | 43.2 Ų | 43.2 | 24% | 0.241 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -74.4 | -46.7 | 178 | -66.5 | 164.4 | 0 | 0 | 0 | 110.2 | P382 T383 A385 Y388 R410 A411 I412 | P382-I414 WeakPolarHBondContact O-CD1 3.38Å; T383-I414 WeakPolarHBondContact O-CG2 3.38Å; A385-I414 HydrophobicContact CB-CB 4.29Å; A385-I414 HydrophobicContact CB-CG2 3.96Å; Y388-I414 HydrophobicContact CD2-CD1 3.62Å; Y388-I414 HydrophobicContact CE2-CD1 3.51Å; R410-I414 HydrophobicContact CG-CD1 3.98Å; R410-I414 VanDerWaalsContact O-CG1 3.31Å; R410-I414 WeakPolarHBondContact O-CG1 3.39Å; R410-I414 PolarHBondContact O-N 3.46Å; A411-I414 PolarHBondContact O-N 3.35Å; I412-I414 VanDerWaalsContact C-N 3.29Å; I412-I414 PolarHBondContact O-N 2.75Å |
| 415 | N | 95.8 | Very high | 95.9 | Very high | 66 Ų | 66 | 44.1 Ų | 44.1 | 35% | 0.353 | 24% | 0.235 | S | C | . | . | trans | -129 | 93 | 177.9 | -178.7 | 4.5 | 0 | 0 | 0 | 110.9 | A385 A411 I412 A417 F418 | A385-N415 HydrophobicContact CB-CB 4.02Å; A411-N415 PolarHBondContact O-N 3.03Å; I412-N415 CarbonylContact O-C 3.58Å; I412-N415 PolarHBondContact O-N 3.45Å; N415-A417 PolarHBondContact O-N 2.66Å; N415-A417 VanDerWaalsContact O-N 3.14Å; N415-A417 PolarHBondContact OD1-N 3.02Å; N415-A417 VanDerWaalsContact OD1-N 3.14Å; N415-F418 HydrophobicContact CB-CB 4.14Å; N415-F418 VanDerWaalsContact O-CB 3.23Å; N415-F418 WeakPolarHBondContact O-CB 3.46Å; N415-F418 PolarHBondContact O-N 3.1Å; N415-F418 VanDerWaalsContact O-N 3.09Å | ||
| 416 | P | 95.6 | Very high | 96 | Very high | 88 Ų | 88 | 41.8 Ų | 41.8 | 57% | 0.571 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -22.3 | 179.8 | -27.4 | 36.2 | 0 | 0 | 0 | 114.7 | I412 F418 H422 | I412-P416 WeakPolarHBondContact O-CA 3.45Å; I412-P416 WeakPolarHBondContact O-CD 3.4Å; P416-F418 VanDerWaalsContact C-N 3.29Å; P416-F418 PolarHBondContact O-N 3.42Å; P416-H422 PolarHBondContact O-NE2 3.01Å |
| 417 | A | 94.9 | Very high | 95.9 | Very high | 62 Ų | 62 | 36.2 Ų | 36.2 | 51% | 0.512 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 8.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | N415 A419 L448 | N415-A417 PolarHBondContact O-N 2.66Å; N415-A417 VanDerWaalsContact O-N 3.14Å; N415-A417 PolarHBondContact OD1-N 3.02Å; N415-A417 VanDerWaalsContact OD1-N 3.14Å; A417-A419 PolarHBondContact O-N 3.03Å; A417-L448 HydrophobicContact CB-CD2 4.2Å |
| 418 | F | 95.6 | Very high | 95.7 | Very high | 21 Ų | 21 | 36 Ų | 36 | 9% | 0.092 | 20% | 0.196 | C | C | . | . | trans | -79.3 | 88.3 | -176.9 | -163.7 | 178.6 | 0 | 0 | 0 | 112.7 | A385 D386 A411 N415 P416 D420 A421 H422 | A385-F418 HydrophobicContact CB-CD1 4.08Å; A385-F418 HydrophobicContact CB-CE1 4.21Å; D386-F418 VanDerWaalsContact OD1-CZ 3.3Å; D386-F418 WeakPolarHBondContact OD1-CZ 3.34Å; A411-F418 HydrophobicContact CB-CD1 4.26Å; N415-F418 HydrophobicContact CB-CB 4.14Å; N415-F418 VanDerWaalsContact O-CB 3.23Å; N415-F418 WeakPolarHBondContact O-CB 3.46Å; N415-F418 PolarHBondContact O-N 3.1Å; N415-F418 VanDerWaalsContact O-N 3.09Å; P416-F418 VanDerWaalsContact C-N 3.29Å; P416-F418 PolarHBondContact O-N 3.42Å; F418-D420 HydrophobicContact CD2-CB 4.21Å; F418-D420 HydrophobicContact CE2-CB 3.81Å; F418-D420 PolarHBondContact O-N 3.07Å; F418-A421 HydrophobicContact CB-CB 4.1Å; F418-A421 HydrophobicContact CD1-CB 3.66Å; F418-A421 HydrophobicContact CD2-CB 4.44Å; F418-A421 HydrophobicContact CE1-CB 4.21Å; F418-A421 HydrophobicContact CG-CB 3.79Å; F418-A421 PolarHBondContact O-N 3.46Å; F418-H422 PolarHBondContact O-CD2 2.98Å; F418-H422 VanDerWaalsContact O-CD2 3.26Å; F418-H422 PolarHBondContact O-N 3.46Å | ||
| 419 | A | 96.1 | Very high | 95.6 | Very high | 9 Ų | 9 | 37.4 Ų | 37.4 | 7% | 0.074 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55 | -43.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114 | A417 A421 H422 S423 A445 L448 K449 F452 | A417-A419 PolarHBondContact O-N 3.03Å; A419-A421 PolarHBondContact O-N 3.42Å; A419-H422 PolarHBondContact O-N 2.87Å; A419-S423 PolarHBondContact O-N 3.29Å; A419-A445 WeakPolarHBondContact O-CB 3.21Å; A419-L448 HydrophobicContact CB-CB 4Å; A419-K449 HydrophobicContact CB-CB 3.71Å; A419-K449 HydrophobicContact CB-CD 4.36Å; A419-F452 HydrophobicContact CB-CD1 4.48Å; A419-F452 HydrophobicContact CB-CE1 4.36Å |
| 420 | D | 94.9 | Very high | 95.4 | Very high | 61 Ų | 61 | 36.6 Ų | 36.6 | 33% | 0.326 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65 | -38.3 | -179.5 | -58.9 | -81.5 | 0 | 0 | 0 | 112.2 | F418 S423 N424 F452 | F418-D420 HydrophobicContact CD2-CB 4.21Å; F418-D420 HydrophobicContact CE2-CB 3.81Å; F418-D420 PolarHBondContact O-N 3.07Å; D420-S423 PolarHBondContact O-N 2.97Å; D420-N424 WeakPolarHBondContact O-CB 3.08Å; D420-N424 PolarHBondContact O-N 3.44Å; D420-N424 PolarHBondContact O-ND2 3.23Å; D420-F452 VanDerWaalsContact OD1-CZ 3.25Å; D420-F452 WeakPolarHBondContact OD1-CZ 3.32Å |
| 421 | A | 95.3 | Very high | 95 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.5 | -39.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A411 I412 F418 A419 N424 L425 | A411-A421 HydrophobicContact CB-CB 4.06Å; I412-A421 HydrophobicContact CD1-CB 4.42Å; I412-A421 HydrophobicContact CG1-CB 3.83Å; F418-A421 HydrophobicContact CB-CB 4.1Å; F418-A421 HydrophobicContact CD1-CB 3.66Å; F418-A421 HydrophobicContact CD2-CB 4.44Å; F418-A421 HydrophobicContact CE1-CB 4.21Å; F418-A421 HydrophobicContact CG-CB 3.79Å; F418-A421 PolarHBondContact O-N 3.46Å; A419-A421 PolarHBondContact O-N 3.42Å; A421-N424 PolarHBondContact O-N 3.25Å; A421-L425 WeakPolarHBondContact O-CB 3.34Å; A421-L425 PolarHBondContact O-N 3.12Å |
| 422 | H | 97.3 | Very high | 94.6 | Very high | 22 Ų | 22 | 39.1 Ų | 39.1 | 10% | 0.102 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.4 | -42.4 | 172.2 | -76.7 | -77.2 | 0 | 0 | 0 | 112 | P416 F418 A419 A426 A445 | P416-H422 PolarHBondContact O-NE2 3.01Å; F418-H422 PolarHBondContact O-CD2 2.98Å; F418-H422 VanDerWaalsContact O-CD2 3.26Å; F418-H422 PolarHBondContact O-N 3.46Å; A419-H422 PolarHBondContact O-N 2.87Å; H422-A426 VanDerWaalsContact O-CB 3.31Å; H422-A426 WeakPolarHBondContact O-CB 3.43Å; H422-A426 PolarHBondContact O-N 3.46Å; H422-A445 HydrophobicContact CB-CB 3.91Å |
| 423 | S | 96.6 | Very high | 94.2 | Very high | 7 Ų | 7 | 40.2 Ų | 40.2 | 5% | 0.049 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.4 | -43.1 | 176.8 | -171.2 | 0 | 0 | 0 | 0 | 112.1 | A419 D420 A426 S427 | A419-S423 PolarHBondContact O-N 3.29Å; D420-S423 PolarHBondContact O-N 2.97Å; S423-A426 WeakPolarHBondContact O-CB 3.42Å; S423-A426 PolarHBondContact O-N 2.88Å; S423-S427 PolarHBondContact O-N 3.3Å |
| 424 | N | 94.6 | Very high | 94 | Very high | 38 Ų | 38 | 38.4 Ų | 38.4 | 20% | 0.203 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.1 | -42.6 | 178.1 | -68.4 | -22.2 | 0 | 0 | 0 | 112 | N393 Y408 D420 A421 A426 S427 I428 | N393-N424 PolarHBondContact OD1-ND2 2.85Å; Y408-N424 HydrophobicContact CD1-CB 3.78Å; Y408-N424 HydrophobicContact CD2-CB 4.3Å; Y408-N424 HydrophobicContact CE1-CB 3.41Å; Y408-N424 VanDerWaalsContact CE1-CB 3.41Å; Y408-N424 HydrophobicContact CE2-CB 3.99Å; Y408-N424 HydrophobicContact CG-CB 4.21Å; D420-N424 WeakPolarHBondContact O-CB 3.08Å; D420-N424 PolarHBondContact O-N 3.44Å; D420-N424 PolarHBondContact O-ND2 3.23Å; A421-N424 PolarHBondContact O-N 3.25Å; N424-A426 VanDerWaalsContact C-N 3.32Å; N424-A426 PolarHBondContact O-N 3Å; N424-S427 WeakPolarHBondContact O-CB 3.45Å; N424-S427 PolarHBondContact O-N 3.3Å; N424-I428 PolarHBondContact O-N 2.65Å; N424-I428 VanDerWaalsContact O-N 3.17Å |
| 425 | L | 95.4 | Very high | 94 | Very high | 18 Ų | 18 | 36.6 Ų | 36.6 | 9% | 0.094 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.3 | -43 | 172.7 | -178.5 | 61.9 | 0 | 0 | 0 | 111.4 | L405 I412 A421 S427 I428 H429 | L405-L425 HydrophobicContact CD1-CD1 4.01Å; L405-L425 HydrophobicContact CG-CD1 4.02Å; I412-L425 HydrophobicContact CD1-CB 4.36Å; I412-L425 HydrophobicContact CD1-CD2 3.69Å; A421-L425 WeakPolarHBondContact O-CB 3.34Å; A421-L425 PolarHBondContact O-N 3.12Å; L425-S427 VanDerWaalsContact C-N 3.29Å; L425-S427 PolarHBondContact O-N 3.25Å; L425-I428 PolarHBondContact O-N 2.87Å; L425-I428 VanDerWaalsContact O-N 3.16Å; L425-H429 PolarHBondContact O-CD2 2.91Å; L425-H429 PolarHBondContact O-N 3.35Å |
| 426 | A | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.4 | -38.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | H422 S423 N424 H429 K430 A438 Y442 | H422-A426 VanDerWaalsContact O-CB 3.31Å; H422-A426 WeakPolarHBondContact O-CB 3.43Å; H422-A426 PolarHBondContact O-N 3.46Å; S423-A426 WeakPolarHBondContact O-CB 3.42Å; S423-A426 PolarHBondContact O-N 2.88Å; N424-A426 VanDerWaalsContact C-N 3.32Å; N424-A426 PolarHBondContact O-N 3Å; A426-H429 PolarHBondContact O-N 3.21Å; A426-K430 WeakPolarHBondContact O-CB 3.46Å; A426-K430 PolarHBondContact O-N 3.39Å; A426-A438 VanDerWaalsContact O-CB 3.3Å; A426-A438 WeakPolarHBondContact O-CB 3.33Å; A426-Y442 HydrophobicContact CB-CD1 3.58Å; A426-Y442 HydrophobicContact CB-CD2 3.58Å; A426-Y442 HydrophobicContact CB-CE1 3.53Å; A426-Y442 HydrophobicContact CB-CE2 3.51Å; A426-Y442 HydrophobicContact CB-CG 3.58Å; A426-Y442 VanDerWaalsContact CB-CZ 3.47Å |
| 427 | S | 93.4 | Very high | 94 | Very high | 14 Ų | 14 | 36.4 Ų | 36.4 | 10% | 0.098 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.6 | -42 | 174.3 | -176.5 | 0 | 0 | 0 | 0 | 112.1 | K396 S423 N424 L425 K430 D431 Y442 | K396-S427 PolarHBondContact NZ-OG 3.02Å; S423-S427 PolarHBondContact O-N 3.3Å; N424-S427 WeakPolarHBondContact O-CB 3.45Å; N424-S427 PolarHBondContact O-N 3.3Å; L425-S427 VanDerWaalsContact C-N 3.29Å; L425-S427 PolarHBondContact O-N 3.25Å; S427-K430 WeakPolarHBondContact O-CB 3.07Å; S427-K430 PolarHBondContact O-N 3.11Å; S427-D431 WeakPolarHBondContact O-CB 3.26Å; S427-D431 PolarHBondContact O-N 3.03Å; S427-D431 PolarHBondContact OG-OD2 3.26Å; S427-Y442 VanDerWaalsContact CA-OH 3.25Å; S427-Y442 WeakPolarHBondContact CA-OH 3.28Å; S427-Y442 PolarHBondContact N-OH 2.85Å |
| 428 | I | 92.1 | Very high | 94.1 | Very high | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.015 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.6 | -44.5 | 176.9 | -65.5 | -62.6 | 0 | 0 | 0 | 111 | K396 V401 A404 L405 Y408 N424 L425 K430 D431 S432 | K396-I428 HydrophobicContact CB-CD1 4.32Å; K396-I428 HydrophobicContact CD-CD1 3.7Å; K396-I428 HydrophobicContact CG-CD1 3.75Å; V401-I428 HydrophobicContact CG1-CD1 4.48Å; V401-I428 HydrophobicContact CG1-CG2 3.68Å; A404-I428 HydrophobicContact CB-CD1 4.37Å; L405-I428 HydrophobicContact CD1-CG2 4.05Å; Y408-I428 HydrophobicContact CD2-CG1 4.15Å; Y408-I428 HydrophobicContact CE2-CD1 4.39Å; Y408-I428 HydrophobicContact CE2-CG1 3.74Å; N424-I428 PolarHBondContact O-N 2.65Å; N424-I428 VanDerWaalsContact O-N 3.17Å; L425-I428 PolarHBondContact O-N 2.87Å; L425-I428 VanDerWaalsContact O-N 3.16Å; I428-K430 VanDerWaalsContact C-N 3.33Å; I428-K430 PolarHBondContact O-N 3.45Å; I428-D431 PolarHBondContact O-N 2.8Å; I428-S432 VanDerWaalsContact O-CB 3.32Å; I428-S432 WeakPolarHBondContact O-CB 3.42Å; I428-S432 PolarHBondContact O-N 3.34Å; I428-S432 PolarHBondContact O-OG 3.48Å |
| 429 | H | 93.9 | Very high | 94.2 | Very high | 32 Ų | 32 | 33.2 Ų | 33.2 | 15% | 0.148 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.1 | -43.4 | 176 | -77.4 | -52.6 | 0 | 0 | 0 | 112 | L425 A426 S432 G433 N434 E437 A438 | L425-H429 PolarHBondContact O-CD2 2.91Å; L425-H429 PolarHBondContact O-N 3.35Å; A426-H429 PolarHBondContact O-N 3.21Å; H429-S432 PolarHBondContact O-N 2.96Å; H429-G433 PolarHBondContact O-N 2.88Å; H429-G433 VanDerWaalsContact O-N 3.15Å; H429-N434 HydrophobicContact CB-CB 4.21Å; H429-N434 CarbonylContact O-C 3.54Å; H429-N434 WeakPolarHBondContact O-CA 3.32Å; H429-N434 PolarHBondContact O-N 3.3Å; H429-E437 HydrophobicContact CB-CB 4.22Å; H429-A438 HydrophobicContact CB-CB 3.87Å |
| 430 | K | 92.6 | Very high | 94.3 | Very high | 33 Ų | 33 | 35.3 Ų | 35.3 | 14% | 0.143 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58 | -52.2 | 174.6 | -177.7 | -167.5 | 73.8 | -176.8 | 0 | 111.2 | A426 S427 I428 S432 G433 I435 A438 N458 | A426-K430 WeakPolarHBondContact O-CB 3.46Å; A426-K430 PolarHBondContact O-N 3.39Å; S427-K430 WeakPolarHBondContact O-CB 3.07Å; S427-K430 PolarHBondContact O-N 3.11Å; I428-K430 VanDerWaalsContact C-N 3.33Å; I428-K430 PolarHBondContact O-N 3.45Å; K430-S432 PolarHBondContact O-N 2.96Å; K430-G433 PolarHBondContact O-N 2.88Å; K430-I435 HydrophobicContact CG-CD1 4.38Å; K430-A438 HydrophobicContact CB-CB 4.03Å; K430-N458 PolarHBondContact NZ-OD1 3.12Å |
| 431 | D | 87.5 | Confident | 94.4 | Very high | 89 Ų | 89 | 33.2 Ų | 33.2 | 48% | 0.476 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -67.5 | -22.8 | -176.5 | -60.4 | -19.2 | 0 | 0 | 0 | 112.2 | K396 S427 I428 | K396-D431 IonicContact NZ-OD2 2.74Å; S427-D431 WeakPolarHBondContact O-CB 3.26Å; S427-D431 PolarHBondContact O-N 3.03Å; S427-D431 PolarHBondContact OG-OD2 3.26Å; I428-D431 PolarHBondContact O-N 2.8Å |
| 432 | S | 88.4 | Confident | 94.6 | Very high | 67 Ų | 67 | 33.2 Ų | 33.2 | 47% | 0.469 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -5 | 174.3 | -52.2 | 0 | 0 | 0 | 0 | 113.9 | I428 H429 K430 | I428-S432 VanDerWaalsContact O-CB 3.32Å; I428-S432 WeakPolarHBondContact O-CB 3.42Å; I428-S432 PolarHBondContact O-N 3.34Å; I428-S432 PolarHBondContact O-OG 3.48Å; H429-S432 PolarHBondContact O-N 2.96Å; K430-S432 PolarHBondContact O-N 2.96Å |
| 433 | G | 88.9 | Confident | 94.6 | Very high | 49 Ų | 49 | 38.3 Ų | 38.3 | 51% | 0.505 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | 1.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | H429 K430 I435 | H429-G433 PolarHBondContact O-N 2.88Å; H429-G433 VanDerWaalsContact O-N 3.15Å; K430-G433 PolarHBondContact O-N 2.88Å; G433-I435 PolarHBondContact O-N 3.12Å |
| 434 | N | 93.5 | Very high | 94.7 | Very high | 80 Ų | 80 | 40.8 Ų | 40.8 | 43% | 0.428 | 24% | 0.235 | S | C | . | . | trans | -82.9 | 65.2 | 176.6 | -67 | -16 | 0 | 0 | 0 | 110 | H429 E437 A438 | H429-N434 HydrophobicContact CB-CB 4.21Å; H429-N434 CarbonylContact O-C 3.54Å; H429-N434 WeakPolarHBondContact O-CA 3.32Å; H429-N434 PolarHBondContact O-N 3.3Å; N434-E437 HydrophobicContact CB-CB 4.44Å; N434-E437 WeakPolarHBondContact CB-OE2 3.34Å; N434-E437 PolarHBondContact O-N 2.99Å; N434-A438 PolarHBondContact O-N 3.06Å; N434-A438 VanDerWaalsContact O-N 3.11Å | ||
| 435 | I | 95.3 | Very high | 94.8 | Very high | 9 Ų | 9 | 39 Ų | 39 | 5% | 0.046 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.3 | -40.3 | -172.2 | -49.2 | -57.3 | 0 | 0 | 0 | 113.4 | K430 G433 E437 A438 I439 C462 I465 V466 | K430-I435 HydrophobicContact CG-CD1 4.38Å; G433-I435 PolarHBondContact O-N 3.12Å; I435-E437 PolarHBondContact O-N 3.38Å; I435-A438 WeakPolarHBondContact O-CB 3.31Å; I435-A438 PolarHBondContact O-N 3.33Å; I435-I439 HydrophobicContact CG2-CD1 3.96Å; I435-I439 HydrophobicContact CG2-CG1 4.33Å; I435-I439 WeakPolarHBondContact O-CG1 3.17Å; I435-I439 PolarHBondContact O-N 3.25Å; I435-C462 HydrophobicContact CG2-CB 3.97Å; I435-I465 HydrophobicContact CD1-CD1 4.29Å; I435-I465 HydrophobicContact CD1-CG2 4.4Å; I435-I465 HydrophobicContact CG1-CG2 4.04Å; I435-I465 HydrophobicContact CG2-CG2 4.35Å; I435-V466 HydrophobicContact CB-CG1 4.13Å; I435-V466 HydrophobicContact CG2-CG1 3.51Å |
| 436 | P | 96 | Very high | 94.9 | Very high | 59 Ų | 59 | 39.4 Ų | 39.4 | 38% | 0.383 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59 | -44.3 | 176.9 | -25.6 | 36.4 | 0 | 0 | 0 | 113.5 | A438 I439 A440 V872 | P436-A438 VanDerWaalsContact C-N 3.33Å; P436-I439 PolarHBondContact O-N 3.22Å; P436-A440 PolarHBondContact O-N 2.84Å; P436-V872 HydrophobicContact CG-CB 4.49Å; P436-V872 HydrophobicContact CG-CG1 3.9Å; P436-V872 HydrophobicContact CG-CG2 4.48Å |
| 437 | E | 95.8 | Very high | 95 | Very high | 91 Ų | 91 | 48.1 Ų | 48.1 | 43% | 0.425 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.5 | -38.5 | 177.5 | -67.2 | 73.5 | -166.5 | 0 | 0 | 111.2 | H429 N434 I435 A440 S441 | H429-E437 HydrophobicContact CB-CB 4.22Å; N434-E437 HydrophobicContact CB-CB 4.44Å; N434-E437 WeakPolarHBondContact CB-OE2 3.34Å; N434-E437 PolarHBondContact O-N 2.99Å; I435-E437 PolarHBondContact O-N 3.38Å; E437-A440 PolarHBondContact O-N 3.19Å; E437-S441 WeakPolarHBondContact O-CB 3.48Å; E437-S441 PolarHBondContact O-N 3.37Å; E437-S441 PolarHBondContact O-OG 2.9Å |
| 438 | A | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.4 | -46.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | A426 H429 K430 N434 I435 P436 A440 S441 Y442 | A426-A438 VanDerWaalsContact O-CB 3.3Å; A426-A438 WeakPolarHBondContact O-CB 3.33Å; H429-A438 HydrophobicContact CB-CB 3.87Å; K430-A438 HydrophobicContact CB-CB 4.03Å; N434-A438 PolarHBondContact O-N 3.06Å; N434-A438 VanDerWaalsContact O-N 3.11Å; I435-A438 WeakPolarHBondContact O-CB 3.31Å; I435-A438 PolarHBondContact O-N 3.33Å; P436-A438 VanDerWaalsContact C-N 3.33Å; A438-A440 PolarHBondContact O-N 3.4Å; A438-S441 PolarHBondContact O-N 3.42Å; A438-Y442 HydrophobicContact CB-CD2 4.47Å; A438-Y442 HydrophobicContact CB-CE2 4.31Å; A438-Y442 WeakPolarHBondContact O-CD2 3.48Å; A438-Y442 PolarHBondContact O-N 3.24Å |
| 439 | I | 98 | Very high | 95.3 | Very high | 17 Ų | 17 | 54.7 Ų | 54.7 | 9% | 0.087 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.9 | -46.6 | 177.8 | -70.7 | 166.7 | 0 | 0 | 0 | 110.8 | I435 P436 S441 Y442 R443 L459 C462 L463 V466 | I435-I439 HydrophobicContact CG2-CD1 3.96Å; I435-I439 HydrophobicContact CG2-CG1 4.33Å; I435-I439 WeakPolarHBondContact O-CG1 3.17Å; I435-I439 PolarHBondContact O-N 3.25Å; P436-I439 PolarHBondContact O-N 3.22Å; I439-S441 VanDerWaalsContact C-N 3.34Å; I439-S441 PolarHBondContact O-N 2.96Å; I439-Y442 PolarHBondContact O-N 3.32Å; I439-R443 HydrophobicContact CG2-CG 4.49Å; I439-R443 WeakPolarHBondContact O-CB 3.5Å; I439-R443 VanDerWaalsContact O-CG 3.32Å; I439-R443 WeakPolarHBondContact O-CG 3.46Å; I439-R443 PolarHBondContact O-N 2.82Å; I439-L459 HydrophobicContact CB-CD1 4.3Å; I439-L459 HydrophobicContact CG1-CD1 4.21Å; I439-L459 HydrophobicContact CG2-CD1 3.97Å; I439-C462 HydrophobicContact CD1-CB 4.22Å; I439-C462 HydrophobicContact CG1-CB 3.62Å; I439-L463 HydrophobicContact CD1-CD2 4.11Å; I439-L463 HydrophobicContact CG1-CD2 4.42Å; I439-L463 HydrophobicContact CG2-CD2 4.32Å; I439-V466 HydrophobicContact CD1-CG1 4.29Å; I439-V466 HydrophobicContact CD1-CG2 3.91Å |
| 440 | A | 97.5 | Very high | 95.4 | Very high | 53 Ų | 53 | 57.9 Ų | 57.9 | 44% | 0.438 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P436 E437 A438 R443 T444 | P436-A440 PolarHBondContact O-N 2.84Å; E437-A440 PolarHBondContact O-N 3.19Å; A438-A440 PolarHBondContact O-N 3.4Å; A440-R443 PolarHBondContact O-N 3.03Å; A440-T444 PolarHBondContact O-N 3.25Å; A440-T444 PolarHBondContact O-OG1 3.49Å |
| 441 | S | 97.6 | Very high | 95.4 | Very high | 17 Ų | 17 | 62.6 Ų | 62.6 | 12% | 0.119 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69.5 | -43.9 | -179.8 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | E437 A438 I439 R443 T444 A445 | E437-S441 WeakPolarHBondContact O-CB 3.48Å; E437-S441 PolarHBondContact O-N 3.37Å; E437-S441 PolarHBondContact O-OG 2.9Å; A438-S441 PolarHBondContact O-N 3.42Å; I439-S441 VanDerWaalsContact C-N 3.34Å; I439-S441 PolarHBondContact O-N 2.96Å; S441-R443 PolarHBondContact O-N 3.17Å; S441-T444 WeakPolarHBondContact O-CB 3.42Å; S441-T444 PolarHBondContact O-N 3.21Å; S441-A445 PolarHBondContact O-N 3.2Å |
| 442 | Y | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 174 | -75.4 | -56.4 | 0 | 0 | 0 | 112.6 | A426 S427 A438 I439 T444 A445 L446 A455 N458 L459 | A426-Y442 HydrophobicContact CB-CD1 3.58Å; A426-Y442 HydrophobicContact CB-CD2 3.58Å; A426-Y442 HydrophobicContact CB-CE1 3.53Å; A426-Y442 HydrophobicContact CB-CE2 3.51Å; A426-Y442 HydrophobicContact CB-CG 3.58Å; A426-Y442 VanDerWaalsContact CB-CZ 3.47Å; S427-Y442 VanDerWaalsContact CA-OH 3.25Å; S427-Y442 WeakPolarHBondContact CA-OH 3.28Å; S427-Y442 PolarHBondContact N-OH 2.85Å; A438-Y442 HydrophobicContact CB-CD2 4.47Å; A438-Y442 HydrophobicContact CB-CE2 4.31Å; A438-Y442 WeakPolarHBondContact O-CD2 3.48Å; A438-Y442 PolarHBondContact O-N 3.24Å; I439-Y442 PolarHBondContact O-N 3.32Å; Y442-T444 VanDerWaalsContact C-N 3.28Å; Y442-T444 PolarHBondContact O-N 2.87Å; Y442-A445 PolarHBondContact O-N 2.82Å; Y442-L446 WeakPolarHBondContact O-CG 3.21Å; Y442-L446 PolarHBondContact O-N 2.95Å; Y442-A455 HydrophobicContact CD1-CB 4.02Å; Y442-N458 HydrophobicContact CD1-CB 4.39Å; Y442-N458 HydrophobicContact CE1-CB 3.66Å; Y442-N458 HydrophobicContact CE2-CB 3.82Å; Y442-N458 WeakPolarHBondContact OH-CB 3.29Å; Y442-L459 HydrophobicContact CG-CB 4.32Å |
| 443 | R | 97.9 | Very high | 96.2 | Very high | 129 Ų | 129 | 57.4 Ų | 57.4 | 49% | 0.487 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.7 | -39.5 | 173.9 | -77.7 | 178.3 | 175 | 166.7 | 1.7 | 111.4 | I439 A440 S441 L446 K447 L459 D468 | I439-R443 HydrophobicContact CG2-CG 4.49Å; I439-R443 WeakPolarHBondContact O-CB 3.5Å; I439-R443 VanDerWaalsContact O-CG 3.32Å; I439-R443 WeakPolarHBondContact O-CG 3.46Å; I439-R443 PolarHBondContact O-N 2.82Å; A440-R443 PolarHBondContact O-N 3.03Å; S441-R443 PolarHBondContact O-N 3.17Å; R443-L446 PolarHBondContact O-N 3.47Å; R443-K447 WeakPolarHBondContact O-CB 3.47Å; R443-K447 PolarHBondContact O-N 3.39Å; R443-L459 HydrophobicContact CG-CD1 4.4Å; R443-L459 HydrophobicContact CG-CD2 4.07Å; R443-D468 IonicContact NH2-OD2 3.76Å |
| 444 | T | 97.7 | Very high | 96.4 | Very high | 59 Ų | 59 | 58.7 Ų | 58.7 | 36% | 0.362 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.5 | -46.3 | 175.5 | -56.8 | 0 | 0 | 0 | 0 | 111.2 | A440 S441 Y442 L446 K447 L448 | A440-T444 PolarHBondContact O-N 3.25Å; A440-T444 PolarHBondContact O-OG1 3.49Å; S441-T444 WeakPolarHBondContact O-CB 3.42Å; S441-T444 PolarHBondContact O-N 3.21Å; Y442-T444 VanDerWaalsContact C-N 3.28Å; Y442-T444 PolarHBondContact O-N 2.87Å; T444-L446 VanDerWaalsContact C-N 3.33Å; T444-L446 PolarHBondContact O-N 2.79Å; T444-K447 WeakPolarHBondContact O-CB 3.5Å; T444-K447 PolarHBondContact O-N 2.54Å; T444-L448 HydrophobicContact CG2-CD1 4.18Å; T444-L448 WeakPolarHBondContact O-CG 3.46Å; T444-L448 PolarHBondContact O-N 3.23Å |
| 445 | A | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.5 | -45 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A419 H422 S441 Y442 L448 K449 F452 A455 | A419-A445 WeakPolarHBondContact O-CB 3.21Å; H422-A445 HydrophobicContact CB-CB 3.91Å; S441-A445 PolarHBondContact O-N 3.2Å; Y442-A445 PolarHBondContact O-N 2.82Å; A445-L448 PolarHBondContact O-N 2.91Å; A445-K449 PolarHBondContact O-N 3.08Å; A445-F452 HydrophobicContact CB-CD1 4.43Å; A445-F452 HydrophobicContact CB-CE1 4.48Å; A445-A455 HydrophobicContact CB-CB 4.4Å |
| 446 | L | 97.2 | Very high | 96.7 | Very high | 27 Ų | 27 | 55.8 Ų | 55.8 | 14% | 0.141 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.6 | -28.1 | 178.5 | -72.2 | 165.6 | 0 | 0 | 0 | 113.6 | Y442 R443 T444 K449 P450 F452 A455 Y456 L459 | Y442-L446 WeakPolarHBondContact O-CG 3.21Å; Y442-L446 PolarHBondContact O-N 2.95Å; R443-L446 PolarHBondContact O-N 3.47Å; T444-L446 VanDerWaalsContact C-N 3.33Å; T444-L446 PolarHBondContact O-N 2.79Å; L446-K449 WeakPolarHBondContact CA-O 3.39Å; L446-K449 CarbonylContact O-C 3.11Å; L446-K449 VanDerWaalsContact O-C 3.28Å; L446-P450 VanDerWaalsContact O-CA 3.27Å; L446-P450 WeakPolarHBondContact O-CA 3.37Å; L446-F452 HydrophobicContact CD2-CB 4.02Å; L446-A455 HydrophobicContact CD2-CB 4.11Å; L446-A455 HydrophobicContact CG-CB 4.08Å; L446-Y456 HydrophobicContact CD1-CD2 4.27Å; L446-Y456 HydrophobicContact CD2-CD2 4.49Å; L446-L459 HydrophobicContact CD1-CB 4.4Å; L446-L459 HydrophobicContact CD1-CD2 3.58Å |
| 447 | K | 97.6 | Very high | 96.7 | Very high | 183 Ų | 183 | 53.2 Ų | 53.2 | 80% | 0.796 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -67.6 | -38.7 | 171.6 | -173.9 | -178.5 | 178.9 | -176.5 | 0 | 111.3 | R443 T444 | R443-K447 WeakPolarHBondContact O-CB 3.47Å; R443-K447 PolarHBondContact O-N 3.39Å; T444-K447 WeakPolarHBondContact O-CB 3.5Å; T444-K447 PolarHBondContact O-N 2.54Å |
| 448 | L | 96.7 | Very high | 96.8 | Very high | 74 Ų | 74 | 50.3 Ų | 50.3 | 39% | 0.387 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -75.2 | -39.5 | 177.6 | -65.8 | 169.4 | 0 | 0 | 0 | 111.8 | A417 A419 T444 A445 | A417-L448 HydrophobicContact CB-CD2 4.2Å; A419-L448 HydrophobicContact CB-CB 4Å; T444-L448 HydrophobicContact CG2-CD1 4.18Å; T444-L448 WeakPolarHBondContact O-CG 3.46Å; T444-L448 PolarHBondContact O-N 3.23Å; A445-L448 PolarHBondContact O-N 2.91Å |
| 449 | K | 97.1 | Very high | 96.8 | Very high | 81 Ų | 81 | 51.1 Ų | 51.1 | 35% | 0.352 | 27% | 0.266 | S | S | . | . | trans | -134.3 | 92.7 | -179.4 | -173.5 | -178.6 | 177 | -179.2 | 0 | 110.1 | A419 A445 L446 D451 F452 | A419-K449 HydrophobicContact CB-CB 3.71Å; A419-K449 HydrophobicContact CB-CD 4.36Å; A445-K449 PolarHBondContact O-N 3.08Å; L446-K449 WeakPolarHBondContact CA-O 3.39Å; L446-K449 CarbonylContact O-C 3.11Å; L446-K449 VanDerWaalsContact O-C 3.28Å; K449-D451 VanDerWaalsContact C-N 3.35Å; K449-D451 WeakPolarHBondContact CE-O 3.19Å; K449-D451 PolarHBondContact O-N 3.05Å; K449-F452 HydrophobicContact CB-CB 4.41Å; K449-F452 HydrophobicContact CB-CD1 4.35Å; K449-F452 HydrophobicContact CD-CB 4.13Å; K449-F452 HydrophobicContact CD-CD1 3.96Å; K449-F452 HydrophobicContact CD-CG 4.04Å; K449-F452 HydrophobicContact CG-CB 4.1Å; K449-F452 HydrophobicContact CG-CD1 4.49Å; K449-F452 WeakPolarHBondContact O-CB 3.48Å | ||
| 450 | P | 94.7 | Very high | 96.8 | Very high | 98 Ų | 98 | 50.3 Ų | 50.3 | 64% | 0.636 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -64.5 | -33.2 | -177.8 | -26.6 | 36.2 | 0 | 0 | 0 | 114.8 | L446 F452 | L446-P450 VanDerWaalsContact O-CA 3.27Å; L446-P450 WeakPolarHBondContact O-CA 3.37Å; P450-F452 PolarHBondContact O-N 3.29Å |
| 451 | D | 93.7 | Very high | 96.7 | Very high | 132 Ų | 132 | 48.6 Ų | 48.6 | 71% | 0.706 | 25% | 0.245 | S | C | * | . | trans | -89.4 | 75.2 | 172.4 | -172.6 | 21.5 | 0 | 0 | 0 | 110.1 | K449 | K449-D451 VanDerWaalsContact C-N 3.35Å; K449-D451 WeakPolarHBondContact CE-O 3.19Å; K449-D451 PolarHBondContact O-N 3.05Å | ||
| 452 | F | 96.2 | Very high | 96.7 | Very high | 14 Ų | 14 | 47.8 Ų | 47.8 | 6% | 0.061 | 24% | 0.24 | C | C | . | . | trans | -134.8 | 82.6 | 178.5 | -161.6 | 174.1 | 0 | 0 | 0 | 111.3 | A419 D420 A445 L446 K449 P450 D454 A455 Y456 | A419-F452 HydrophobicContact CB-CD1 4.48Å; A419-F452 HydrophobicContact CB-CE1 4.36Å; D420-F452 VanDerWaalsContact OD1-CZ 3.25Å; D420-F452 WeakPolarHBondContact OD1-CZ 3.32Å; A445-F452 HydrophobicContact CB-CD1 4.43Å; A445-F452 HydrophobicContact CB-CE1 4.48Å; L446-F452 HydrophobicContact CD2-CB 4.02Å; K449-F452 HydrophobicContact CB-CB 4.41Å; K449-F452 HydrophobicContact CB-CD1 4.35Å; K449-F452 HydrophobicContact CD-CB 4.13Å; K449-F452 HydrophobicContact CD-CD1 3.96Å; K449-F452 HydrophobicContact CD-CG 4.04Å; K449-F452 HydrophobicContact CG-CB 4.1Å; K449-F452 HydrophobicContact CG-CD1 4.49Å; K449-F452 WeakPolarHBondContact O-CB 3.48Å; P450-F452 PolarHBondContact O-N 3.29Å; F452-D454 HydrophobicContact CD2-CB 4.33Å; F452-D454 HydrophobicContact CE2-CB 4.02Å; F452-D454 PolarHBondContact O-N 3.4Å; F452-A455 HydrophobicContact CB-CB 4.13Å; F452-A455 HydrophobicContact CD1-CB 3.6Å; F452-A455 HydrophobicContact CD2-CB 4.16Å; F452-A455 HydrophobicContact CE1-CB 4.04Å; F452-A455 HydrophobicContact CG-CB 3.68Å; F452-A455 PolarHBondContact O-N 3.16Å; F452-Y456 PolarHBondContact O-N 3.33Å | ||
| 453 | P | 95.8 | Very high | 96.7 | Very high | 34 Ų | 34 | 48 Ų | 48 | 22% | 0.221 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -49.7 | -47.4 | -178 | -34.3 | 39.7 | 0 | 0 | 0 | 115.1 | A455 Y456 C457 I482 S494 | P453-A455 PolarHBondContact O-N 3.27Å; P453-Y456 PolarHBondContact O-N 2.93Å; P453-C457 PolarHBondContact O-N 3.24Å; P453-I482 HydrophobicContact CB-CG2 3.72Å; P453-I482 HydrophobicContact CG-CG2 4.36Å; P453-S494 WeakPolarHBondContact CB-OG 3.42Å |
| 454 | D | 93.8 | Very high | 96.7 | Very high | 76 Ų | 76 | 41.9 Ų | 41.9 | 41% | 0.406 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.2 | -45.7 | -177.7 | -62.6 | -48.6 | 0 | 0 | 0 | 112.3 | F452 Y456 N458 S494 | F452-D454 HydrophobicContact CD2-CB 4.33Å; F452-D454 HydrophobicContact CE2-CB 4.02Å; F452-D454 PolarHBondContact O-N 3.4Å; D454-Y456 VanDerWaalsContact C-N 3.31Å; D454-Y456 PolarHBondContact O-N 3.05Å; D454-N458 WeakPolarHBondContact O-CB 3.21Å; D454-N458 PolarHBondContact O-N 3Å; D454-N458 VanDerWaalsContact O-N 3.08Å; D454-N458 PolarHBondContact O-ND2 3.08Å; D454-S494 WeakPolarHBondContact CA-OG 3.36Å; D454-S494 PolarHBondContact N-OG 3.02Å; D454-S494 WeakPolarHBondContact OD1-CA 3.43Å; D454-S494 WeakPolarHBondContact OD1-CB 3.44Å; D454-S494 PolarHBondContact OD1-OG 3.28Å |
| 455 | A | 96.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.5 | -38.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y442 A445 L446 F452 P453 L459 | Y442-A455 HydrophobicContact CD1-CB 4.02Å; A445-A455 HydrophobicContact CB-CB 4.4Å; L446-A455 HydrophobicContact CD2-CB 4.11Å; L446-A455 HydrophobicContact CG-CB 4.08Å; F452-A455 HydrophobicContact CB-CB 4.13Å; F452-A455 HydrophobicContact CD1-CB 3.6Å; F452-A455 HydrophobicContact CD2-CB 4.16Å; F452-A455 HydrophobicContact CE1-CB 4.04Å; F452-A455 HydrophobicContact CG-CB 3.68Å; F452-A455 PolarHBondContact O-N 3.16Å; P453-A455 PolarHBondContact O-N 3.27Å; A455-L459 VanDerWaalsContact O-CB 3.26Å; A455-L459 WeakPolarHBondContact O-CB 3.47Å; A455-L459 PolarHBondContact O-N 3.07Å |
| 456 | Y | 97.8 | Very high | 96.6 | Very high | 28 Ų | 28 | 40.5 Ų | 40.5 | 11% | 0.11 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.9 | -51.2 | 179 | -170.7 | -91.7 | 0 | 0 | 0 | 112.6 | L446 F452 P453 D454 N458 L459 A460 R475 K478 I482 | L446-Y456 HydrophobicContact CD1-CD2 4.27Å; L446-Y456 HydrophobicContact CD2-CD2 4.49Å; F452-Y456 PolarHBondContact O-N 3.33Å; P453-Y456 PolarHBondContact O-N 2.93Å; D454-Y456 VanDerWaalsContact C-N 3.31Å; D454-Y456 PolarHBondContact O-N 3.05Å; Y456-N458 VanDerWaalsContact C-N 3.35Å; Y456-N458 PolarHBondContact O-N 3.19Å; Y456-L459 PolarHBondContact O-N 2.93Å; Y456-A460 WeakPolarHBondContact O-CB 3.34Å; Y456-A460 PolarHBondContact O-N 3.3Å; Y456-R475 HydrophobicContact CE1-CG 4.37Å; Y456-R475 WeakPolarHBondContact OH-CA 3.43Å; Y456-K478 HydrophobicContact CD1-CG 4.48Å; Y456-K478 HydrophobicContact CE1-CB 4.05Å; Y456-K478 HydrophobicContact CE1-CD 4.01Å; Y456-K478 HydrophobicContact CE1-CG 3.77Å; Y456-K478 HydrophobicContact CE2-CD 3.85Å; Y456-I482 HydrophobicContact CD1-CD1 3.47Å; Y456-I482 VanDerWaalsContact CD1-CD1 3.47Å; Y456-I482 HydrophobicContact CE1-CD1 4.09Å; Y456-I482 HydrophobicContact CG-CD1 4.02Å |
| 457 | C | 96.9 | Very high | 96.7 | Very high | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.034 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64 | -39.4 | 179.5 | -70.5 | 0 | 0 | 0 | 0 | 111.8 | P453 A460 H461 V495 | P453-C457 PolarHBondContact O-N 3.24Å; C457-A460 PolarHBondContact O-N 2.67Å; C457-H461 PolarHBondContact O-N 2.8Å; C457-V495 HydrophobicContact CB-CG2 4.2Å |
| 458 | N | 96.6 | Very high | 96.7 | Very high | 30 Ų | 30 | 31.6 Ų | 31.6 | 16% | 0.16 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.5 | -38.6 | 175.5 | -78.3 | -63.4 | 0 | 0 | 0 | 112.6 | K430 Y442 D454 Y456 H461 C462 | K430-N458 PolarHBondContact NZ-OD1 3.12Å; Y442-N458 HydrophobicContact CD1-CB 4.39Å; Y442-N458 HydrophobicContact CE1-CB 3.66Å; Y442-N458 HydrophobicContact CE2-CB 3.82Å; Y442-N458 WeakPolarHBondContact OH-CB 3.29Å; D454-N458 WeakPolarHBondContact O-CB 3.21Å; D454-N458 PolarHBondContact O-N 3Å; D454-N458 VanDerWaalsContact O-N 3.08Å; D454-N458 PolarHBondContact O-ND2 3.08Å; Y456-N458 VanDerWaalsContact C-N 3.35Å; Y456-N458 PolarHBondContact O-N 3.19Å; N458-H461 WeakPolarHBondContact O-CB 3.38Å; N458-H461 PolarHBondContact O-N 2.9Å; N458-C462 PolarHBondContact O-N 3.38Å; N458-C462 PolarHBondContact O-SG 3.24Å; N458-C462 VanDerWaalsContact O-SG 3.41Å |
| 459 | L | 97.5 | Very high | 96.7 | Very high | 16 Ų | 16 | 28.6 Ų | 28.6 | 8% | 0.084 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.7 | -46.7 | 171.7 | 176.6 | 59 | 0 | 0 | 0 | 111 | I439 Y442 R443 L446 A455 Y456 H461 C462 L463 | I439-L459 HydrophobicContact CB-CD1 4.3Å; I439-L459 HydrophobicContact CG1-CD1 4.21Å; I439-L459 HydrophobicContact CG2-CD1 3.97Å; Y442-L459 HydrophobicContact CG-CB 4.32Å; R443-L459 HydrophobicContact CG-CD1 4.4Å; R443-L459 HydrophobicContact CG-CD2 4.07Å; L446-L459 HydrophobicContact CD1-CB 4.4Å; L446-L459 HydrophobicContact CD1-CD2 3.58Å; A455-L459 VanDerWaalsContact O-CB 3.26Å; A455-L459 WeakPolarHBondContact O-CB 3.47Å; A455-L459 PolarHBondContact O-N 3.07Å; Y456-L459 PolarHBondContact O-N 2.93Å; L459-H461 PolarHBondContact O-N 3.35Å; L459-C462 PolarHBondContact O-N 3.47Å; L459-C462 VanDerWaalsContact O-N 3.08Å; L459-L463 HydrophobicContact CD1-CD1 4.14Å; L459-L463 HydrophobicContact CD1-CD2 4.33Å; L459-L463 HydrophobicContact CD1-CG 3.99Å; L459-L463 HydrophobicContact CG-CD1 3.98Å; L459-L463 HydrophobicContact CG-CG 4.28Å; L459-L463 WeakPolarHBondContact O-CG 3.32Å; L459-L463 PolarHBondContact O-N 3.44Å |
| 460 | A | 97.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.6 | -37.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | Y456 C457 Q464 R475 L479 | Y456-A460 WeakPolarHBondContact O-CB 3.34Å; Y456-A460 PolarHBondContact O-N 3.3Å; C457-A460 PolarHBondContact O-N 2.67Å; A460-Q464 PolarHBondContact O-N 2.95Å; A460-R475 HydrophobicContact CB-CG 3.95Å; A460-L479 HydrophobicContact CB-CD1 4.05Å |
| 461 | H | 97 | Very high | 96.8 | Very high | 17 Ų | 17 | 28.1 Ų | 28.1 | 8% | 0.079 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.8 | -45.4 | 172.9 | -169.9 | 67.2 | 0 | 0 | 0 | 112.8 | C457 N458 L459 L463 Q464 I465 H499 Y503 | C457-H461 PolarHBondContact O-N 2.8Å; N458-H461 WeakPolarHBondContact O-CB 3.38Å; N458-H461 PolarHBondContact O-N 2.9Å; L459-H461 PolarHBondContact O-N 3.35Å; H461-L463 VanDerWaalsContact C-N 3.31Å; H461-L463 PolarHBondContact O-N 2.89Å; H461-Q464 WeakPolarHBondContact O-CB 3.3Å; H461-Q464 PolarHBondContact O-N 2.92Å; H461-Q464 VanDerWaalsContact O-N 3.16Å; H461-I465 WeakPolarHBondContact O-CG1 3.27Å; H461-I465 PolarHBondContact O-N 3.14Å; H461-H499 AromaticContact CD2-CE1 3.74Å; H461-H499 AromaticContact CD2-ND1 3.96Å; H461-H499 AromaticContact CE1-CD2 3.49Å; H461-H499 PolarHBondContact CE1-CD2 2.98Å; H461-H499 VanDerWaalsContact CE1-CD2 3.49Å; H461-H499 AromaticContact CE1-CE1 3.86Å; H461-H499 AromaticContact CE1-CG 3.62Å; H461-H499 AromaticContact CE1-ND1 3.84Å; H461-H499 AromaticContact CE1-NE2 3.69Å; H461-H499 AromaticContact CG-ND1 3.8Å; H461-H499 AromaticContact ND1-CG 3.65Å; H461-H499 AromaticContact ND1-ND1 3.72Å; H461-H499 AromaticContact NE2-CD2 3.85Å; H461-H499 AromaticContact NE2-CE1 3.61Å; H461-H499 AromaticContact NE2-ND1 3.98Å; H461-H499 AromaticContact NE2-NE2 3.54Å; H461-Y503 WeakPolarHBondContact CB-OH 3.31Å; H461-Y503 PolarHBondContact ND1-OH 2.94Å |
| 462 | C | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.9 | -40.6 | 175.3 | -68.8 | 0 | 0 | 0 | 0 | 112.3 | I435 I439 N458 L459 I465 V466 | I435-C462 HydrophobicContact CG2-CB 3.97Å; I439-C462 HydrophobicContact CD1-CB 4.22Å; I439-C462 HydrophobicContact CG1-CB 3.62Å; N458-C462 PolarHBondContact O-N 3.38Å; N458-C462 PolarHBondContact O-SG 3.24Å; N458-C462 VanDerWaalsContact O-SG 3.41Å; L459-C462 PolarHBondContact O-N 3.47Å; L459-C462 VanDerWaalsContact O-N 3.08Å; C462-I465 WeakPolarHBondContact O-CB 3.27Å; C462-I465 PolarHBondContact O-N 3.32Å; C462-V466 PolarHBondContact O-N 2.9Å |
| 463 | L | 98.1 | Very high | 96.9 | Very high | 5 Ų | 5 | 28 Ų | 28 | 3% | 0.026 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.8 | -37.9 | 175.8 | -64.6 | 174.3 | 0 | 0 | 0 | 111.6 | I439 L459 H461 V466 C467 D468 | I439-L463 HydrophobicContact CD1-CD2 4.11Å; I439-L463 HydrophobicContact CG1-CD2 4.42Å; I439-L463 HydrophobicContact CG2-CD2 4.32Å; L459-L463 HydrophobicContact CD1-CD1 4.14Å; L459-L463 HydrophobicContact CD1-CD2 4.33Å; L459-L463 HydrophobicContact CD1-CG 3.99Å; L459-L463 HydrophobicContact CG-CD1 3.98Å; L459-L463 HydrophobicContact CG-CG 4.28Å; L459-L463 WeakPolarHBondContact O-CG 3.32Å; L459-L463 PolarHBondContact O-N 3.44Å; H461-L463 VanDerWaalsContact C-N 3.31Å; H461-L463 PolarHBondContact O-N 2.89Å; L463-V466 PolarHBondContact O-N 3.28Å; L463-C467 PolarHBondContact O-N 2.98Å; L463-C467 VanDerWaalsContact O-N 3.08Å; L463-D468 HydrophobicContact CB-CB 4.22Å; L463-D468 HydrophobicContact CD2-CB 3.8Å; L463-D468 PolarHBondContact O-N 2.95Å |
| 464 | Q | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.8 | -41.9 | 171.5 | -176.7 | 59 | 31 | 0 | 0 | 111.9 | A460 H461 V466 C467 Y842 I844 | A460-Q464 PolarHBondContact O-N 2.95Å; H461-Q464 WeakPolarHBondContact O-CB 3.3Å; H461-Q464 PolarHBondContact O-N 2.92Å; H461-Q464 VanDerWaalsContact O-N 3.16Å; Q464-V466 VanDerWaalsContact C-N 3.32Å; Q464-V466 PolarHBondContact O-N 3.28Å; Q464-C467 PolarHBondContact O-N 3.29Å; Q464-Y842 PolarHBondContact NE2-O 3.35Å; Q464-I844 PolarHBondContact NE2-O 3.16Å |
| 465 | I | 96.6 | Very high | 97.1 | Very high | 23 Ų | 23 | 29.9 Ų | 29.9 | 12% | 0.118 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.4 | -41.1 | 178.6 | -73.3 | 166.6 | 0 | 0 | 0 | 112.3 | I435 H461 C462 C467 P870 | I435-I465 HydrophobicContact CD1-CD1 4.29Å; I435-I465 HydrophobicContact CD1-CG2 4.4Å; I435-I465 HydrophobicContact CG1-CG2 4.04Å; I435-I465 HydrophobicContact CG2-CG2 4.35Å; H461-I465 WeakPolarHBondContact O-CG1 3.27Å; H461-I465 PolarHBondContact O-N 3.14Å; C462-I465 WeakPolarHBondContact O-CB 3.27Å; C462-I465 PolarHBondContact O-N 3.32Å; I465-C467 VanDerWaalsContact C-N 3.34Å; I465-P870 HydrophobicContact CG2-CG 3.59Å |
| 466 | V | 97.6 | Very high | 97.1 | Very high | 7 Ų | 7 | 30.3 Ų | 30.3 | 4% | 0.042 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 8 | -179.2 | -51.8 | 0 | 0 | 0 | 0 | 113 | I435 I439 C462 L463 Q464 D468 V872 G873 N876 | I435-V466 HydrophobicContact CB-CG1 4.13Å; I435-V466 HydrophobicContact CG2-CG1 3.51Å; I439-V466 HydrophobicContact CD1-CG1 4.29Å; I439-V466 HydrophobicContact CD1-CG2 3.91Å; C462-V466 PolarHBondContact O-N 2.9Å; L463-V466 PolarHBondContact O-N 3.28Å; Q464-V466 VanDerWaalsContact C-N 3.32Å; Q464-V466 PolarHBondContact O-N 3.28Å; V466-D468 HydrophobicContact CG2-CB 3.92Å; V466-D468 PolarHBondContact O-N 3.29Å; V466-V872 HydrophobicContact CB-CG2 4.3Å; V466-V872 HydrophobicContact CG1-CG2 3.55Å; V466-G873 WeakPolarHBondContact O-CA 3.16Å; V466-N876 PolarHBondContact O-ND2 3.43Å |
| 467 | C | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 34.6 | -176.8 | -53.9 | 0 | 0 | 0 | 0 | 113.9 | L463 Q464 I465 W469 L841 N876 I877 Y880 | L463-C467 PolarHBondContact O-N 2.98Å; L463-C467 VanDerWaalsContact O-N 3.08Å; Q464-C467 PolarHBondContact O-N 3.29Å; I465-C467 VanDerWaalsContact C-N 3.34Å; C467-W469 HydrophobicContact CB-CH2 4.48Å; C467-W469 HydrophobicContact CB-CZ2 3.77Å; C467-W469 PolarHBondContact O-N 3.14Å; C467-L841 PolarHBondContact SG-O 3.26Å; C467-N876 HydrophobicContact CB-CB 4.4Å; C467-N876 WeakPolarHBondContact O-CB 3.44Å; C467-I877 HydrophobicContact CB-CD1 3.74Å; C467-I877 HydrophobicContact CB-CG1 4Å; C467-Y880 WeakPolarHBondContact O-CE2 3.29Å |
| 468 | D | 97.9 | Very high | 97.2 | Very high | 22 Ų | 22 | 41 Ų | 41 | 12% | 0.118 | 20% | 0.202 | C | C | . | . | trans | -80.9 | 106.7 | 169.1 | -175.4 | -17.3 | 0 | 0 | 0 | 109 | R443 L463 V466 T470 R475 | R443-D468 IonicContact NH2-OD2 3.76Å; L463-D468 HydrophobicContact CB-CB 4.22Å; L463-D468 HydrophobicContact CD2-CB 3.8Å; L463-D468 PolarHBondContact O-N 2.95Å; V466-D468 HydrophobicContact CG2-CB 3.92Å; V466-D468 PolarHBondContact O-N 3.29Å; D468-T470 WeakPolarHBondContact OD1-CB 3.48Å; D468-T470 VanDerWaalsContact OD1-CG2 3.23Å; D468-T470 WeakPolarHBondContact OD1-CG2 3.42Å; D468-T470 PolarHBondContact OD1-N 2.95Å; D468-T470 VanDerWaalsContact OD1-N 3.07Å; D468-T470 PolarHBondContact OD1-OG1 3.43Å; D468-R475 PolarHBondContact O-NH1 3.17Å; D468-R475 PolarHBondContact O-NH2 3.09Å | ||
| 469 | W | 97.7 | Very high | 97.2 | Very high | 12 Ų | 12 | 39.5 Ų | 39.5 | 5% | 0.045 | 20% | 0.195 | C | C | . | . | trans | -111.3 | 20.4 | -176.2 | -51.8 | -35.1 | 0 | 0 | 0 | 112.3 | C467 D471 Y472 I844 P846 L849 I877 Y880 | C467-W469 HydrophobicContact CB-CH2 4.48Å; C467-W469 HydrophobicContact CB-CZ2 3.77Å; C467-W469 PolarHBondContact O-N 3.14Å; W469-D471 VanDerWaalsContact C-N 3.31Å; W469-D471 PolarHBondContact O-N 2.97Å; W469-Y472 HydrophobicContact CB-CD2 4.32Å; W469-Y472 HydrophobicContact CB-CG 4.48Å; W469-Y472 AromaticContact CD1-CD2 3.7Å; W469-Y472 HydrophobicContact CG-CD2 4.19Å; W469-Y472 PolarHBondContact O-N 3.42Å; W469-I844 HydrophobicContact CH2-CG2 3.94Å; W469-I844 HydrophobicContact CZ2-CB 4.49Å; W469-I844 HydrophobicContact CZ2-CG2 4.08Å; W469-I844 WeakPolarHBondContact CZ2-O 3.39Å; W469-P846 HydrophobicContact CB-CG 4.01Å; W469-P846 HydrophobicContact CD2-CB 4.42Å; W469-P846 HydrophobicContact CD2-CG 3.67Å; W469-P846 HydrophobicContact CE3-CB 4.11Å; W469-P846 HydrophobicContact CE3-CG 3.86Å; W469-P846 HydrophobicContact CG-CG 3.75Å; W469-P846 HydrophobicContact CZ3-CB 4.46Å; W469-L849 HydrophobicContact CH2-CB 3.91Å; W469-L849 HydrophobicContact CH2-CD2 3.9Å; W469-L849 HydrophobicContact CZ3-CB 4.05Å; W469-L849 HydrophobicContact CZ3-CD2 3.59Å; W469-L849 HydrophobicContact CZ3-CG 4.46Å; W469-I877 HydrophobicContact CH2-CD1 3.5Å; W469-I877 VanDerWaalsContact CH2-CD1 3.5Å; W469-I877 HydrophobicContact CZ2-CD1 3.93Å; W469-I877 HydrophobicContact CZ3-CD1 4.29Å; W469-Y880 VanDerWaalsContact CA-OH 3.27Å; W469-Y880 WeakPolarHBondContact CA-OH 3.31Å; W469-Y880 HydrophobicContact CB-CE1 4.13Å; W469-Y880 HydrophobicContact CB-CE2 3.96Å; W469-Y880 HydrophobicContact CD2-CD2 4.1Å; W469-Y880 HydrophobicContact CD2-CE2 4.03Å; W469-Y880 AromaticContact CE3-CD1 4Å; W469-Y880 HydrophobicContact CE3-CD1 4Å; W469-Y880 AromaticContact CE3-CD2 3.36Å; W469-Y880 HydrophobicContact CE3-CD2 3.36Å; W469-Y880 HydrophobicContact CE3-CE1 4.26Å; W469-Y880 AromaticContact CE3-CE2 3.7Å; W469-Y880 HydrophobicContact CE3-CE2 3.7Å; W469-Y880 AromaticContact CE3-CG 3.57Å; W469-Y880 HydrophobicContact CE3-CG 3.57Å; W469-Y880 HydrophobicContact CG-CE2 4.17Å; W469-Y880 AromaticContact CZ3-CD2 3.8Å; W469-Y880 HydrophobicContact CZ3-CD2 3.8Å; W469-Y880 AromaticContact CZ3-CG 3.88Å; W469-Y880 HydrophobicContact CZ3-CG 3.88Å; W469-Y880 PolarHBondContact N-OH 3.49Å | ||
| 470 | T | 96.4 | Very high | 97.2 | Very high | 105 Ų | 105 | 40.5 Ų | 40.5 | 64% | 0.644 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -41.4 | -174.3 | 45.3 | 0 | 0 | 0 | 0 | 113.3 | D468 Y880 | D468-T470 WeakPolarHBondContact OD1-CB 3.48Å; D468-T470 VanDerWaalsContact OD1-CG2 3.23Å; D468-T470 WeakPolarHBondContact OD1-CG2 3.42Å; D468-T470 PolarHBondContact OD1-N 2.95Å; D468-T470 VanDerWaalsContact OD1-N 3.07Å; D468-T470 PolarHBondContact OD1-OG1 3.43Å; T470-Y880 PolarHBondContact N-OH 3.23Å |
| 471 | D | 96.1 | Very high | 97.2 | Very high | 64 Ų | 64 | 44.2 Ų | 44.2 | 34% | 0.342 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | 29.7 | 176.5 | 67.5 | -26.5 | 0 | 0 | 0 | 112.7 | W469 D473 E474 R475 | W469-D471 VanDerWaalsContact C-N 3.31Å; W469-D471 PolarHBondContact O-N 2.97Å; D471-D473 PolarHBondContact O-N 3.23Å; D471-E474 PolarHBondContact O-N 3.04Å; D471-R475 WeakPolarHBondContact O-CB 3.44Å; D471-R475 PolarHBondContact O-N 3.47Å; D471-R475 IonicContact OD1-CZ 2.69Å; D471-R475 IonicContact OD1-NH1 2.72Å; D471-R475 PolarHBondContact OD1-NH1 3.38Å |
| 472 | Y | 96.3 | Very high | 97.2 | Very high | 28 Ų | 28 | 44.5 Ų | 44.5 | 11% | 0.11 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -50.1 | -53.6 | -167.9 | -173.6 | -90.2 | 0 | 0 | 0 | 114.2 | W469 R475 M476 P846 | W469-Y472 HydrophobicContact CB-CD2 4.32Å; W469-Y472 HydrophobicContact CB-CG 4.48Å; W469-Y472 AromaticContact CD1-CD2 3.7Å; W469-Y472 HydrophobicContact CG-CD2 4.19Å; W469-Y472 PolarHBondContact O-N 3.42Å; Y472-R475 PolarHBondContact O-N 3.01Å; Y472-M476 HydrophobicContact CD1-CG 4.14Å; Y472-M476 HydrophobicContact CD2-CE 4.05Å; Y472-M476 HydrophobicContact CE1-CG 3.83Å; Y472-M476 HydrophobicContact CE2-CE 3.74Å; Y472-M476 HydrophobicContact CE2-CG 4.39Å; Y472-M476 VanDerWaalsContact O-CG 3.28Å; Y472-M476 WeakPolarHBondContact O-CG 3.16Å; Y472-M476 PolarHBondContact O-N 3.38Å; Y472-P846 HydrophobicContact CD1-CG 4.05Å; Y472-P846 HydrophobicContact CD2-CG 4.1Å; Y472-P846 HydrophobicContact CE1-CG 4.31Å; Y472-P846 HydrophobicContact CE2-CG 4.34Å; Y472-P846 HydrophobicContact CG-CG 3.96Å |
| 473 | D | 95.8 | Very high | 97.2 | Very high | 115 Ų | 115 | 44.5 Ų | 44.5 | 62% | 0.615 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -66.6 | -43.1 | -174.5 | -67.5 | -37.6 | 0 | 0 | 0 | 112.8 | D471 R475 K477 | D471-D473 PolarHBondContact O-N 3.23Å; D473-R475 VanDerWaalsContact C-N 3.34Å; D473-K477 VanDerWaalsContact O-CG 3.32Å; D473-K477 WeakPolarHBondContact O-CG 3.41Å; D473-K477 PolarHBondContact O-N 3.32Å; D473-K477 VanDerWaalsContact O-N 3.11Å |
| 474 | E | 97.4 | Very high | 97.1 | Very high | 147 Ų | 147 | 45.7 Ų | 45.7 | 69% | 0.687 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -65.1 | -42.3 | 176.8 | -65.7 | -175.3 | 177.3 | 0 | 0 | 110.8 | D471 K477 K478 | D471-E474 PolarHBondContact O-N 3.04Å; E474-K477 PolarHBondContact O-N 2.92Å; E474-K478 WeakPolarHBondContact O-CB 3.46Å; E474-K478 PolarHBondContact O-N 3.22Å |
| 475 | R | 96.8 | Very high | 97.1 | Very high | 3 Ų | 3 | 48.6 Ų | 48.6 | 1% | 0.011 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 178.9 | -174.4 | 175.7 | 72.3 | -129.2 | 9.7 | 112.5 | Y456 A460 D468 D471 Y472 D473 K478 L479 | Y456-R475 HydrophobicContact CE1-CG 4.37Å; Y456-R475 WeakPolarHBondContact OH-CA 3.43Å; A460-R475 HydrophobicContact CB-CG 3.95Å; D468-R475 PolarHBondContact O-NH1 3.17Å; D468-R475 PolarHBondContact O-NH2 3.09Å; D471-R475 WeakPolarHBondContact O-CB 3.44Å; D471-R475 PolarHBondContact O-N 3.47Å; D471-R475 IonicContact OD1-CZ 2.69Å; D471-R475 IonicContact OD1-NH1 2.72Å; D471-R475 PolarHBondContact OD1-NH1 3.38Å; Y472-R475 PolarHBondContact O-N 3.01Å; D473-R475 VanDerWaalsContact C-N 3.34Å; R475-K478 PolarHBondContact O-N 3.19Å; R475-L479 WeakPolarHBondContact O-CB 3.21Å; R475-L479 PolarHBondContact O-N 3.29Å |
| 476 | M | 97.3 | Very high | 97.1 | Very high | 8 Ų | 8 | 48.1 Ų | 48.1 | 4% | 0.039 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 176.4 | -68 | -53.8 | 140 | 0 | 0 | 111.7 | Y472 K478 L479 V480 Y503 P504 | Y472-M476 HydrophobicContact CD1-CG 4.14Å; Y472-M476 HydrophobicContact CD2-CE 4.05Å; Y472-M476 HydrophobicContact CE1-CG 3.83Å; Y472-M476 HydrophobicContact CE2-CE 3.74Å; Y472-M476 HydrophobicContact CE2-CG 4.39Å; Y472-M476 VanDerWaalsContact O-CG 3.28Å; Y472-M476 WeakPolarHBondContact O-CG 3.16Å; Y472-M476 PolarHBondContact O-N 3.38Å; M476-K478 PolarHBondContact O-N 3.22Å; M476-L479 PolarHBondContact O-N 2.94Å; M476-V480 WeakPolarHBondContact O-CG2 3.11Å; M476-V480 PolarHBondContact O-N 3.23Å; M476-Y503 HydrophobicContact CE-CD1 4.31Å; M476-Y503 HydrophobicContact CE-CE1 4.42Å; M476-Y503 HydrophobicContact SD-CD1 3.73Å; M476-Y503 HydrophobicContact SD-CE1 4.38Å; M476-P504 HydrophobicContact CB-CG 3.98Å; M476-P504 HydrophobicContact CG-CG 4.47Å |
| 477 | K | 97.5 | Very high | 96.9 | Very high | 156 Ų | 156 | 49 Ų | 49 | 68% | 0.678 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -59.8 | -45.1 | 175.5 | -73.2 | 171.7 | -175 | 172.8 | 0 | 112 | D473 E474 V480 S481 | D473-K477 VanDerWaalsContact O-CG 3.32Å; D473-K477 WeakPolarHBondContact O-CG 3.41Å; D473-K477 PolarHBondContact O-N 3.32Å; D473-K477 VanDerWaalsContact O-N 3.11Å; E474-K477 PolarHBondContact O-N 2.92Å; K477-V480 PolarHBondContact O-N 2.93Å; K477-S481 PolarHBondContact O-N 3.21Å |
| 478 | K | 97.3 | Very high | 96.7 | Very high | 101 Ų | 101 | 57 Ų | 57 | 44% | 0.439 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.3 | -41.1 | 177.9 | -178.4 | 165.5 | 171.1 | -177.3 | 0 | 112 | Y456 E474 R475 M476 V480 S481 I482 | Y456-K478 HydrophobicContact CD1-CG 4.48Å; Y456-K478 HydrophobicContact CE1-CB 4.05Å; Y456-K478 HydrophobicContact CE1-CD 4.01Å; Y456-K478 HydrophobicContact CE1-CG 3.77Å; Y456-K478 HydrophobicContact CE2-CD 3.85Å; E474-K478 WeakPolarHBondContact O-CB 3.46Å; E474-K478 PolarHBondContact O-N 3.22Å; R475-K478 PolarHBondContact O-N 3.19Å; M476-K478 PolarHBondContact O-N 3.22Å; K478-V480 PolarHBondContact O-N 3.42Å; K478-S481 WeakPolarHBondContact O-CB 3.32Å; K478-S481 PolarHBondContact O-N 3.39Å; K478-I482 HydrophobicContact CG-CD1 4.03Å; K478-I482 HydrophobicContact CG-CG1 4.5Å; K478-I482 WeakPolarHBondContact O-CG1 3.48Å; K478-I482 PolarHBondContact O-N 3.04Å |
| 479 | L | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.6 | -45.3 | 175.3 | -177.9 | 155.5 | 0 | 0 | 0 | 111.7 | A460 R475 M476 S481 I482 V483 V495 Y503 | A460-L479 HydrophobicContact CB-CD1 4.05Å; R475-L479 WeakPolarHBondContact O-CB 3.21Å; R475-L479 PolarHBondContact O-N 3.29Å; M476-L479 PolarHBondContact O-N 2.94Å; L479-S481 VanDerWaalsContact C-N 3.33Å; L479-S481 PolarHBondContact O-N 2.84Å; L479-I482 PolarHBondContact O-N 3.45Å; L479-V483 HydrophobicContact CD2-CG2 4.35Å; L479-V483 WeakPolarHBondContact O-CG2 3.36Å; L479-V483 PolarHBondContact O-N 3.19Å; L479-V483 VanDerWaalsContact O-N 3.08Å; L479-V495 HydrophobicContact CD1-CG2 4.32Å; L479-V495 HydrophobicContact CD2-CG2 3.85Å; L479-V495 HydrophobicContact CG-CG2 4.06Å; L479-Y503 HydrophobicContact CD1-CD1 4.13Å; L479-Y503 HydrophobicContact CD1-CD2 4.06Å; L479-Y503 HydrophobicContact CD1-CE1 4.07Å; L479-Y503 HydrophobicContact CD1-CE2 4Å; L479-Y503 HydrophobicContact CD1-CG 4.13Å; L479-Y503 HydrophobicContact CD2-CD2 3.93Å; L479-Y503 HydrophobicContact CD2-CG 3.97Å |
| 480 | V | 97.8 | Very high | 95.9 | Very high | 37 Ų | 37 | 65.8 Ų | 65.8 | 22% | 0.224 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 176.7 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | M476 K477 K478 V483 A484 P504 L505 F509 | M476-V480 WeakPolarHBondContact O-CG2 3.11Å; M476-V480 PolarHBondContact O-N 3.23Å; K477-V480 PolarHBondContact O-N 2.93Å; K478-V480 PolarHBondContact O-N 3.42Å; V480-V483 PolarHBondContact O-N 3.44Å; V480-A484 PolarHBondContact O-N 3.36Å; V480-P504 HydrophobicContact CG2-CG 4.24Å; V480-L505 HydrophobicContact CG2-CD2 4.02Å; V480-F509 HydrophobicContact CG1-CE2 4.3Å |
| 481 | S | 97.6 | Very high | 95.5 | Very high | 78 Ų | 78 | 68 Ų | 68 | 55% | 0.545 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62 | -44.3 | 176.6 | -178.4 | 0 | 0 | 0 | 0 | 112.7 | K477 K478 L479 V483 A484 D485 | K477-S481 PolarHBondContact O-N 3.21Å; K478-S481 WeakPolarHBondContact O-CB 3.32Å; K478-S481 PolarHBondContact O-N 3.39Å; L479-S481 VanDerWaalsContact C-N 3.33Å; L479-S481 PolarHBondContact O-N 2.84Å; S481-V483 PolarHBondContact O-N 2.89Å; S481-A484 PolarHBondContact O-N 3.01Å; S481-D485 PolarHBondContact O-N 3.48Å |
| 482 | I | 97.3 | Very high | 95.1 | Very high | 23 Ų | 23 | 69 Ų | 69 | 12% | 0.118 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.3 | -47.6 | 175.9 | -72.9 | 166 | 0 | 0 | 0 | 110.9 | P453 Y456 K478 L479 A484 D485 Q486 | P453-I482 HydrophobicContact CB-CG2 3.72Å; P453-I482 HydrophobicContact CG-CG2 4.36Å; Y456-I482 HydrophobicContact CD1-CD1 3.47Å; Y456-I482 VanDerWaalsContact CD1-CD1 3.47Å; Y456-I482 HydrophobicContact CE1-CD1 4.09Å; Y456-I482 HydrophobicContact CG-CD1 4.02Å; K478-I482 HydrophobicContact CG-CD1 4.03Å; K478-I482 HydrophobicContact CG-CG1 4.5Å; K478-I482 WeakPolarHBondContact O-CG1 3.48Å; K478-I482 PolarHBondContact O-N 3.04Å; L479-I482 PolarHBondContact O-N 3.45Å; I482-A484 VanDerWaalsContact C-N 3.34Å; I482-A484 PolarHBondContact O-N 3.1Å; I482-D485 PolarHBondContact O-N 2.86Å; I482-Q486 HydrophobicContact CG2-CG 4.46Å; I482-Q486 WeakPolarHBondContact O-CB 3.33Å; I482-Q486 VanDerWaalsContact O-CG 3.27Å; I482-Q486 WeakPolarHBondContact O-CG 3.36Å; I482-Q486 PolarHBondContact O-N 3.01Å |
| 483 | V | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 179.2 | 169.9 | 0 | 0 | 0 | 0 | 111 | L479 V480 S481 Q486 L487 V495 L505 I513 | L479-V483 HydrophobicContact CD2-CG2 4.35Å; L479-V483 WeakPolarHBondContact O-CG2 3.36Å; L479-V483 PolarHBondContact O-N 3.19Å; L479-V483 VanDerWaalsContact O-N 3.08Å; V480-V483 PolarHBondContact O-N 3.44Å; S481-V483 PolarHBondContact O-N 2.89Å; V483-Q486 PolarHBondContact O-N 3.13Å; V483-L487 HydrophobicContact CG1-CD1 3.79Å; V483-L487 HydrophobicContact CG1-CG 4.31Å; V483-L487 WeakPolarHBondContact O-CB 3.38Å; V483-L487 VanDerWaalsContact O-CG 3.32Å; V483-L487 WeakPolarHBondContact O-CG 3.47Å; V483-L487 PolarHBondContact O-N 3.02Å; V483-V495 HydrophobicContact CG2-CB 4.04Å; V483-V495 HydrophobicContact CG2-CG2 3.5Å; V483-L505 HydrophobicContact CB-CD2 4.26Å; V483-L505 HydrophobicContact CG1-CD2 4.13Å; V483-L505 HydrophobicContact CG2-CD2 4.36Å; V483-I513 HydrophobicContact CG1-CD1 3.93Å; V483-I513 HydrophobicContact CG1-CG1 4.19Å |
| 484 | A | 96.9 | Very high | 95 | Very high | 31 Ų | 31 | 63 Ų | 63 | 26% | 0.256 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.6 | -49.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | V480 S481 I482 Q486 L487 E488 F509 | V480-A484 PolarHBondContact O-N 3.36Å; S481-A484 PolarHBondContact O-N 3.01Å; I482-A484 VanDerWaalsContact C-N 3.34Å; I482-A484 PolarHBondContact O-N 3.1Å; A484-Q486 PolarHBondContact O-N 3.27Å; A484-L487 PolarHBondContact O-N 2.9Å; A484-E488 WeakPolarHBondContact O-CB 3.15Å; A484-E488 PolarHBondContact O-N 3.12Å; A484-F509 HydrophobicContact CB-CE2 4.16Å; A484-F509 HydrophobicContact CB-CZ 3.8Å |
| 485 | D | 96.8 | Very high | 94.9 | Very high | 61 Ų | 61 | 56.1 Ų | 56.1 | 33% | 0.326 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 177.8 | -178.2 | 82.3 | 0 | 0 | 0 | 112.3 | S481 I482 E488 K489 | S481-D485 PolarHBondContact O-N 3.48Å; I482-D485 PolarHBondContact O-N 2.86Å; D485-E488 PolarHBondContact O-N 2.81Å; D485-K489 WeakPolarHBondContact O-CB 3.14Å; D485-K489 WeakPolarHBondContact O-CG 3.48Å; D485-K489 PolarHBondContact O-N 3.03Å; D485-K489 WeakPolarHBondContact OD1-CE 3.37Å; D485-K489 IonicContact OD1-NZ 3.75Å; D485-K489 PolarHBondContact OD1-NZ 2.94Å; D485-K489 WeakPolarHBondContact OD2-CE 3.39Å; D485-K489 IonicContact OD2-NZ 3.56Å; D485-K489 PolarHBondContact OD2-NZ 3.41Å |
| 486 | Q | 95.6 | Very high | 94.8 | Very high | 13 Ų | 13 | 59.3 Ų | 59.3 | 6% | 0.061 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.5 | -43.4 | 179.2 | -73.5 | 176.1 | -34.9 | 0 | 0 | 112.3 | I482 V483 A484 K489 N490 R491 S494 | I482-Q486 HydrophobicContact CG2-CG 4.46Å; I482-Q486 WeakPolarHBondContact O-CB 3.33Å; I482-Q486 VanDerWaalsContact O-CG 3.27Å; I482-Q486 WeakPolarHBondContact O-CG 3.36Å; I482-Q486 PolarHBondContact O-N 3.01Å; V483-Q486 PolarHBondContact O-N 3.13Å; A484-Q486 PolarHBondContact O-N 3.27Å; Q486-K489 CarbonylContact O-C 3.56Å; Q486-K489 PolarHBondContact O-N 3.44Å; Q486-N490 PolarHBondContact O-N 3.36Å; Q486-R491 HydrophobicContact CB-CB 4.37Å; Q486-R491 PolarHBondContact O-N 3.12Å; Q486-S494 PolarHBondContact NE2-OG 3.17Å |
| 487 | L | 93.6 | Very high | 94.7 | Very high | 24 Ų | 24 | 59 Ų | 59 | 13% | 0.126 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.3 | -41.3 | 178.1 | -72.2 | 175.5 | 0 | 0 | 0 | 111.6 | V483 A484 K489 N490 P493 F509 A512 R516 | V483-L487 HydrophobicContact CG1-CD1 3.79Å; V483-L487 HydrophobicContact CG1-CG 4.31Å; V483-L487 WeakPolarHBondContact O-CB 3.38Å; V483-L487 VanDerWaalsContact O-CG 3.32Å; V483-L487 WeakPolarHBondContact O-CG 3.47Å; V483-L487 PolarHBondContact O-N 3.02Å; A484-L487 PolarHBondContact O-N 2.9Å; L487-K489 VanDerWaalsContact C-N 3.34Å; L487-K489 PolarHBondContact O-N 3.29Å; L487-N490 PolarHBondContact O-N 3.47Å; L487-P493 HydrophobicContact CD2-CG 3.51Å; L487-P493 HydrophobicContact CG-CG 4.08Å; L487-F509 HydrophobicContact CD1-CB 4.4Å; L487-F509 HydrophobicContact CD1-CD1 3.68Å; L487-F509 HydrophobicContact CD1-CE1 4.24Å; L487-F509 HydrophobicContact CD1-CG 4.21Å; L487-A512 HydrophobicContact CD1-CB 3.95Å; L487-A512 HydrophobicContact CD2-CB 3.94Å; L487-R516 HydrophobicContact CD2-CG 4.16Å |
| 488 | E | 94.9 | Very high | 94.6 | Very high | 169 Ų | 169 | 53.8 Ų | 53.8 | 79% | 0.79 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -61.7 | -41.3 | 175.6 | -174.1 | 176.3 | -173.4 | 0 | 0 | 111.6 | A484 D485 N490 | A484-E488 WeakPolarHBondContact O-CB 3.15Å; A484-E488 PolarHBondContact O-N 3.12Å; D485-E488 PolarHBondContact O-N 2.81Å; E488-N490 PolarHBondContact O-N 3.34Å |
| 489 | K | 91.2 | Very high | 94.5 | Very high | 109 Ų | 109 | 50.4 Ų | 50.4 | 47% | 0.474 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 10.6 | 177.2 | -67.9 | 174.7 | -175.5 | 158.6 | 0 | 114.3 | D485 Q486 L487 R491 | D485-K489 WeakPolarHBondContact O-CB 3.14Å; D485-K489 WeakPolarHBondContact O-CG 3.48Å; D485-K489 PolarHBondContact O-N 3.03Å; D485-K489 WeakPolarHBondContact OD1-CE 3.37Å; D485-K489 IonicContact OD1-NZ 3.75Å; D485-K489 PolarHBondContact OD1-NZ 2.94Å; D485-K489 WeakPolarHBondContact OD2-CE 3.39Å; D485-K489 IonicContact OD2-NZ 3.56Å; D485-K489 PolarHBondContact OD2-NZ 3.41Å; Q486-K489 CarbonylContact O-C 3.56Å; Q486-K489 PolarHBondContact O-N 3.44Å; L487-K489 VanDerWaalsContact C-N 3.34Å; L487-K489 PolarHBondContact O-N 3.29Å; K489-R491 HydrophobicContact CB-CG 4.15Å; K489-R491 PolarHBondContact O-N 3.39Å |
| 490 | N | 86.6 | Confident | 94.4 | Very high | 109 Ų | 109 | 50.8 Ų | 50.8 | 58% | 0.583 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 29.8 | 179.4 | -162.8 | 65.9 | 0 | 0 | 0 | 113.4 | Q486 L487 E488 R516 | Q486-N490 PolarHBondContact O-N 3.36Å; L487-N490 PolarHBondContact O-N 3.47Å; E488-N490 PolarHBondContact O-N 3.34Å; N490-R516 PolarHBondContact OD1-NH1 2.98Å; N490-R516 PolarHBondContact OD1-NH2 2.87Å |
| 491 | R | 87.8 | Confident | 94.3 | Very high | 151 Ų | 151 | 49.8 Ų | 49.8 | 57% | 0.57 | 25% | 0.25 | S | S | * | . | P | Polyproline II helix | trans | -94.4 | 155.9 | 178.5 | -65.1 | -177.5 | 178.7 | -178 | -2.2 | 111.1 | Q486 K489 P493 | Q486-R491 HydrophobicContact CB-CB 4.37Å; Q486-R491 PolarHBondContact O-N 3.12Å; K489-R491 HydrophobicContact CB-CG 4.15Å; K489-R491 PolarHBondContact O-N 3.39Å; R491-P493 WeakPolarHBondContact O-CD 3.27Å |
| 492 | L | 89.3 | Confident | 94.2 | Very high | 85 Ų | 85 | 46.2 Ų | 46.2 | 45% | 0.445 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -64.4 | 123.7 | 170.3 | -175.7 | 66.7 | 0 | 0 | 0 | 109 | R516 L520 | L492-R516 HydrophobicContact CD1-CB 3.96Å; L492-L520 HydrophobicContact CD2-CD2 4.31Å |
| 493 | P | 94.2 | Very high | 94.2 | Very high | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.032 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -67.1 | 140.7 | -179.8 | -25.3 | 37.4 | 0 | 0 | 0 | 112.5 | L487 R491 V495 I513 R516 | L487-P493 HydrophobicContact CD2-CG 3.51Å; L487-P493 HydrophobicContact CG-CG 4.08Å; R491-P493 WeakPolarHBondContact O-CD 3.27Å; P493-V495 PolarHBondContact O-N 3.46Å; P493-I513 HydrophobicContact CB-CG1 3.97Å; P493-I513 HydrophobicContact CG-CG1 4Å; P493-R516 HydrophobicContact CG-CG 4.37Å |
| 494 | S | 93.9 | Very high | 94.2 | Very high | 12 Ų | 12 | 49.3 Ų | 49.3 | 8% | 0.084 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -68.6 | -18.6 | 176.4 | -66.5 | 0 | 0 | 0 | 0 | 113.5 | P453 D454 Q486 | P453-S494 WeakPolarHBondContact CB-OG 3.42Å; D454-S494 WeakPolarHBondContact CA-OG 3.36Å; D454-S494 PolarHBondContact N-OG 3.02Å; D454-S494 WeakPolarHBondContact OD1-CA 3.43Å; D454-S494 WeakPolarHBondContact OD1-CB 3.44Å; D454-S494 PolarHBondContact OD1-OG 3.28Å; Q486-S494 PolarHBondContact NE2-OG 3.17Å |
| 495 | V | 95.9 | Very high | 94.2 | Very high | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -83.7 | 118.6 | 174.7 | 173.4 | 0 | 0 | 0 | 0 | 109.1 | C457 L479 V483 P493 Y503 L505 I513 | C457-V495 HydrophobicContact CB-CG2 4.2Å; L479-V495 HydrophobicContact CD1-CG2 4.32Å; L479-V495 HydrophobicContact CD2-CG2 3.85Å; L479-V495 HydrophobicContact CG-CG2 4.06Å; V483-V495 HydrophobicContact CG2-CB 4.04Å; V483-V495 HydrophobicContact CG2-CG2 3.5Å; P493-V495 PolarHBondContact O-N 3.46Å; V495-Y503 HydrophobicContact CG1-CD2 3.89Å; V495-Y503 HydrophobicContact CG1-CE2 3.86Å; V495-Y503 HydrophobicContact CG2-CD2 4.5Å; V495-Y503 HydrophobicContact CG2-CE2 4.44Å; V495-L505 HydrophobicContact CG1-CD1 4.49Å; V495-I513 HydrophobicContact CB-CD1 4.32Å; V495-I513 HydrophobicContact CG1-CD1 4.22Å; V495-I513 WeakPolarHBondContact O-CG2 3.49Å |
| 496 | H | 94.3 | Very high | 94.2 | Very high | 70 Ų | 70 | 48.2 Ų | 48.2 | 32% | 0.324 | 24% | 0.24 | S | C | . | . | trans | -65.9 | 142.8 | 174 | -168.9 | -102.8 | 0 | 0 | 0 | 111.4 | H498 H499 S500 Y632 | H496-H498 VanDerWaalsContact C-N 3.3Å; H496-H498 PolarHBondContact ND1-N 3.22Å; H496-H498 PolarHBondContact O-N 2.91Å; H496-H499 PolarHBondContact O-N 3.45Å; H496-S500 PolarHBondContact O-N 2.55Å; H496-Y632 PolarHBondContact CE1-O 3.37Å | ||
| 497 | P | 96.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.013 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -54.4 | -43.5 | -176 | -27.2 | 34.2 | 0 | 0 | 0 | 113.2 | H499 S500 I513 A514 H517 Y632 Y655 | P497-H499 PolarHBondContact O-N 3.05Å; P497-S500 WeakPolarHBondContact O-CB 3.41Å; P497-S500 PolarHBondContact O-N 2.76Å; P497-S500 VanDerWaalsContact O-N 3.14Å; P497-S500 PolarHBondContact O-OG 3.3Å; P497-I513 HydrophobicContact CB-CG2 4.37Å; P497-I513 HydrophobicContact CG-CG2 4.03Å; P497-A514 HydrophobicContact CB-CB 4.44Å; P497-H517 HydrophobicContact CG-CB 3.95Å; P497-Y632 HydrophobicContact CB-CD2 3.42Å; P497-Y632 VanDerWaalsContact CB-CD2 3.42Å; P497-Y632 HydrophobicContact CB-CE2 4.04Å; P497-Y632 HydrophobicContact CB-CG 3.84Å; P497-Y632 HydrophobicContact CG-CD1 4.27Å; P497-Y632 HydrophobicContact CG-CD2 3.69Å; P497-Y632 HydrophobicContact CG-CE2 4.09Å; P497-Y632 HydrophobicContact CG-CG 3.78Å; P497-Y655 VanDerWaalsContact CB-OH 3.29Å; P497-Y655 WeakPolarHBondContact CB-OH 3.32Å; P497-Y655 PolarHBondContact O-OH 3.27Å |
| 498 | H | 93.9 | Very high | 94.5 | Very high | 47 Ų | 47 | 50 Ų | 50 | 22% | 0.218 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -59.7 | -30.1 | 177.8 | -175.7 | -113.4 | 0 | 0 | 0 | 113.4 | H496 M501 Y655 | H496-H498 VanDerWaalsContact C-N 3.3Å; H496-H498 PolarHBondContact ND1-N 3.22Å; H496-H498 PolarHBondContact O-N 2.91Å; H498-M501 WeakPolarHBondContact O-CE 3.49Å; H498-M501 WeakPolarHBondContact O-CG 3.48Å; H498-Y655 HydrophobicContact CB-CE2 4.02Å; H498-Y655 AromaticContact CD2-CE2 3.98Å; H498-Y655 PolarHBondContact N-OH 3.4Å |
| 499 | H | 95.3 | Very high | 94.6 | Very high | 29 Ų | 29 | 45 Ų | 45 | 13% | 0.134 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -87 | -20.6 | -178.7 | -54.4 | 161.9 | 0 | 0 | 0 | 112.2 | H461 H496 P497 M501 L502 Y503 | H461-H499 AromaticContact CD2-CE1 3.74Å; H461-H499 AromaticContact CD2-ND1 3.96Å; H461-H499 AromaticContact CE1-CD2 3.49Å; H461-H499 PolarHBondContact CE1-CD2 2.98Å; H461-H499 VanDerWaalsContact CE1-CD2 3.49Å; H461-H499 AromaticContact CE1-CE1 3.86Å; H461-H499 AromaticContact CE1-CG 3.62Å; H461-H499 AromaticContact CE1-ND1 3.84Å; H461-H499 AromaticContact CE1-NE2 3.69Å; H461-H499 AromaticContact CG-ND1 3.8Å; H461-H499 AromaticContact ND1-CG 3.65Å; H461-H499 AromaticContact ND1-ND1 3.72Å; H461-H499 AromaticContact NE2-CD2 3.85Å; H461-H499 AromaticContact NE2-CE1 3.61Å; H461-H499 AromaticContact NE2-ND1 3.98Å; H461-H499 AromaticContact NE2-NE2 3.54Å; H496-H499 PolarHBondContact O-N 3.45Å; P497-H499 PolarHBondContact O-N 3.05Å; H499-M501 PolarHBondContact O-N 3.47Å; H499-M501 VanDerWaalsContact O-N 3.07Å; H499-L502 WeakPolarHBondContact O-CB 3.33Å; H499-L502 PolarHBondContact O-N 3.35Å; H499-Y503 HydrophobicContact CB-CE2 3.78Å; H499-Y503 WeakPolarHBondContact O-CD2 3.28Å; H499-Y503 WeakPolarHBondContact O-CE2 3.29Å |
| 500 | S | 96.8 | Very high | 94.9 | Very high | 9 Ų | 9 | 41.3 Ų | 41.3 | 6% | 0.063 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -58.3 | -25.4 | -175.2 | 74.5 | 0 | 0 | 0 | 0 | 113.9 | H496 P497 L502 Y503 R510 | H496-S500 PolarHBondContact O-N 2.55Å; P497-S500 WeakPolarHBondContact O-CB 3.41Å; P497-S500 PolarHBondContact O-N 2.76Å; P497-S500 VanDerWaalsContact O-N 3.14Å; P497-S500 PolarHBondContact O-OG 3.3Å; S500-L502 PolarHBondContact O-N 3.2Å; S500-Y503 PolarHBondContact O-N 3.48Å; S500-R510 PolarHBondContact O-NE 3.16Å |
| 501 | M | 94.7 | Very high | 95.5 | Very high | 16 Ų | 16 | 38.4 Ų | 38.4 | 8% | 0.079 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -67.8 | -21.2 | 175.2 | 66.3 | -177.7 | 177.4 | 0 | 0 | 113.7 | H498 H499 Y503 P656 A943 | H498-M501 WeakPolarHBondContact O-CE 3.49Å; H498-M501 WeakPolarHBondContact O-CG 3.48Å; H499-M501 PolarHBondContact O-N 3.47Å; H499-M501 VanDerWaalsContact O-N 3.07Å; M501-Y503 VanDerWaalsContact C-N 3.35Å; M501-P656 HydrophobicContact CE-CG 4.33Å; M501-P656 HydrophobicContact SD-CG 3.99Å; M501-A943 HydrophobicContact CB-CB 4.25Å; M501-A943 HydrophobicContact CG-CB 4.34Å; M501-A943 HydrophobicContact SD-CB 3.34Å; M501-A943 WeakPolarHBondContact SD-CB 3.45Å |
| 502 | L | 96.6 | Very high | 96 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -87.1 | -7 | -178.5 | -56.8 | 176.3 | 0 | 0 | 0 | 113.2 | H499 S500 Y842 L917 C918 | H499-L502 WeakPolarHBondContact O-CB 3.33Å; H499-L502 PolarHBondContact O-N 3.35Å; S500-L502 PolarHBondContact O-N 3.2Å; L502-Y842 HydrophobicContact CD1-CD2 3.69Å; L502-Y842 HydrophobicContact CD1-CE2 4.08Å; L502-Y842 HydrophobicContact CD2-CD2 4.01Å; L502-Y842 HydrophobicContact CD2-CE2 4.07Å; L502-L917 HydrophobicContact CD2-CD2 4.18Å; L502-L917 HydrophobicContact CD2-CG 4.33Å; L502-C918 HydrophobicContact CD2-CB 3.98Å |
| 503 | Y | 96.8 | Very high | 96.4 | Very high | 6 Ų | 6 | 28.1 Ų | 28.1 | 2% | 0.024 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -115.1 | 152.9 | -172 | -52.8 | -45.4 | 0 | 0 | 0 | 110.9 | H461 M476 L479 V495 H499 S500 M501 L505 R510 | H461-Y503 WeakPolarHBondContact CB-OH 3.31Å; H461-Y503 PolarHBondContact ND1-OH 2.94Å; M476-Y503 HydrophobicContact CE-CD1 4.31Å; M476-Y503 HydrophobicContact CE-CE1 4.42Å; M476-Y503 HydrophobicContact SD-CD1 3.73Å; M476-Y503 HydrophobicContact SD-CE1 4.38Å; L479-Y503 HydrophobicContact CD1-CD1 4.13Å; L479-Y503 HydrophobicContact CD1-CD2 4.06Å; L479-Y503 HydrophobicContact CD1-CE1 4.07Å; L479-Y503 HydrophobicContact CD1-CE2 4Å; L479-Y503 HydrophobicContact CD1-CG 4.13Å; L479-Y503 HydrophobicContact CD2-CD2 3.93Å; L479-Y503 HydrophobicContact CD2-CG 3.97Å; V495-Y503 HydrophobicContact CG1-CD2 3.89Å; V495-Y503 HydrophobicContact CG1-CE2 3.86Å; V495-Y503 HydrophobicContact CG2-CD2 4.5Å; V495-Y503 HydrophobicContact CG2-CE2 4.44Å; H499-Y503 HydrophobicContact CB-CE2 3.78Å; H499-Y503 WeakPolarHBondContact O-CD2 3.28Å; H499-Y503 WeakPolarHBondContact O-CE2 3.29Å; S500-Y503 PolarHBondContact O-N 3.48Å; M501-Y503 VanDerWaalsContact C-N 3.35Å; Y503-L505 HydrophobicContact CD2-CD1 4.45Å; Y503-L505 PolarHBondContact O-N 2.94Å; Y503-R510 PolarHBondContact O-NH2 3.17Å |
| 504 | P | 96.1 | Very high | 96.6 | Very high | 82 Ų | 82 | 28 Ų | 28 | 53% | 0.532 | 16% | 0.16 | S | C | . | . | trans | -76.8 | 55.1 | 179.4 | 33.8 | -36.8 | 0 | 0 | 0 | 111.7 | M476 V480 | M476-P504 HydrophobicContact CB-CG 3.98Å; M476-P504 HydrophobicContact CG-CG 4.47Å; V480-P504 HydrophobicContact CG2-CG 4.24Å | ||
| 505 | L | 96.9 | Very high | 96.8 | Very high | 9 Ų | 9 | 30.9 Ų | 30.9 | 5% | 0.047 | 17% | 0.173 | C | C | . | . | trans | -85.9 | 154.7 | 174.7 | -65.5 | 166.5 | 0 | 0 | 0 | 110.1 | V480 V483 V495 Y503 F509 R510 I513 | V480-L505 HydrophobicContact CG2-CD2 4.02Å; V483-L505 HydrophobicContact CB-CD2 4.26Å; V483-L505 HydrophobicContact CG1-CD2 4.13Å; V483-L505 HydrophobicContact CG2-CD2 4.36Å; V495-L505 HydrophobicContact CG1-CD1 4.49Å; Y503-L505 HydrophobicContact CD2-CD1 4.45Å; Y503-L505 PolarHBondContact O-N 2.94Å; L505-F509 HydrophobicContact CB-CB 4.25Å; L505-F509 HydrophobicContact CD2-CB 4.32Å; L505-F509 HydrophobicContact CD2-CD2 4.01Å; L505-R510 HydrophobicContact CB-CG 4Å; L505-R510 HydrophobicContact CD1-CG 4.45Å; L505-R510 PolarHBondContact O-NH1 3.25Å; L505-R510 PolarHBondContact O-NH2 3.36Å; L505-I513 HydrophobicContact CD1-CD1 3.79Å | ||
| 506 | S | 97.1 | Very high | 96.7 | Very high | 60 Ų | 60 | 33.9 Ų | 33.9 | 42% | 0.42 | 18% | 0.184 | S | C | . | . | trans | -71.5 | 159.7 | 168.4 | 68 | 0 | 0 | 0 | 0 | 110.8 | G508 F509 R510 | S506-G508 VanDerWaalsContact C-N 3.26Å; S506-G508 PolarHBondContact O-N 3.14Å; S506-F509 PolarHBondContact O-N 2.77Å; S506-F509 WeakPolarHBondContact OG-CG 3.41Å; S506-F509 PolarHBondContact OG-N 3.26Å; S506-F509 VanDerWaalsContact OG-N 3.13Å; S506-R510 PolarHBondContact O-N 2.93Å; S506-R510 VanDerWaalsContact O-N 3.08Å | ||
| 507 | H | 97.3 | Very high | 96.7 | Very high | 29 Ų | 29 | 31.8 Ų | 31.8 | 13% | 0.134 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.8 | -42.6 | 172 | -66.6 | -63.3 | 0 | 0 | 0 | 112.2 | F509 R510 K511 Q681 E940 | H507-F509 VanDerWaalsContact C-N 3.34Å; H507-F509 PolarHBondContact O-N 2.87Å; H507-R510 PolarHBondContact O-N 3.45Å; H507-K511 WeakPolarHBondContact O-CB 3.39Å; H507-K511 PolarHBondContact O-N 3.35Å; H507-Q681 HydrophobicContact CB-CB 3.73Å; H507-Q681 PolarHBondContact CE1-OE1 3.2Å; H507-Q681 VanDerWaalsContact CE1-OE1 3.32Å; H507-Q681 PolarHBondContact ND1-OE1 3.03Å; H507-E940 IonicContact CE1-OE2 3.78Å; H507-E940 IonicContact NE2-OE2 3.92Å; H507-E940 PolarHBondContact NE2-OE2 3.47Å |
| 508 | G | 97.6 | Very high | 96.6 | Very high | 47 Ų | 47 | 31.7 Ų | 31.7 | 49% | 0.485 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -57.6 | -43.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S506 K511 A512 | S506-G508 VanDerWaalsContact C-N 3.26Å; S506-G508 PolarHBondContact O-N 3.14Å; G508-K511 PolarHBondContact O-N 3.03Å; G508-A512 VanDerWaalsContact O-CB 3.26Å; G508-A512 WeakPolarHBondContact O-CB 3.32Å; G508-A512 PolarHBondContact O-N 3.27Å |
| 509 | F | 97.9 | Very high | 96.5 | Very high | 62 Ų | 62 | 32.4 Ų | 32.4 | 27% | 0.272 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -65.9 | -43.2 | 175.8 | -72.9 | -13.6 | 0 | 0 | 0 | 112.7 | V480 A484 L487 L505 S506 H507 K511 A512 I513 | V480-F509 HydrophobicContact CG1-CE2 4.3Å; A484-F509 HydrophobicContact CB-CE2 4.16Å; A484-F509 HydrophobicContact CB-CZ 3.8Å; L487-F509 HydrophobicContact CD1-CB 4.4Å; L487-F509 HydrophobicContact CD1-CD1 3.68Å; L487-F509 HydrophobicContact CD1-CE1 4.24Å; L487-F509 HydrophobicContact CD1-CG 4.21Å; L505-F509 HydrophobicContact CB-CB 4.25Å; L505-F509 HydrophobicContact CD2-CB 4.32Å; L505-F509 HydrophobicContact CD2-CD2 4.01Å; S506-F509 PolarHBondContact O-N 2.77Å; S506-F509 WeakPolarHBondContact OG-CG 3.41Å; S506-F509 PolarHBondContact OG-N 3.26Å; S506-F509 VanDerWaalsContact OG-N 3.13Å; H507-F509 VanDerWaalsContact C-N 3.34Å; H507-F509 PolarHBondContact O-N 2.87Å; F509-K511 VanDerWaalsContact C-N 3.32Å; F509-K511 PolarHBondContact O-N 3.38Å; F509-A512 PolarHBondContact O-N 3.31Å; F509-I513 WeakPolarHBondContact O-CB 3.38Å; F509-I513 WeakPolarHBondContact O-CD1 3.32Å; F509-I513 WeakPolarHBondContact O-CG1 3.3Å; F509-I513 PolarHBondContact O-N 3.31Å |
| 510 | R | 98.3 | Very high | 96.2 | Very high | 33 Ų | 33 | 34.3 Ų | 34.3 | 13% | 0.125 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.9 | -43.8 | 177.8 | -64.6 | -168.9 | -170.3 | 89.8 | 1.9 | 111.6 | S500 Y503 L505 S506 H507 I513 A514 | S500-R510 PolarHBondContact O-NE 3.16Å; Y503-R510 PolarHBondContact O-NH2 3.17Å; L505-R510 HydrophobicContact CB-CG 4Å; L505-R510 HydrophobicContact CD1-CG 4.45Å; L505-R510 PolarHBondContact O-NH1 3.25Å; L505-R510 PolarHBondContact O-NH2 3.36Å; S506-R510 PolarHBondContact O-N 2.93Å; S506-R510 VanDerWaalsContact O-N 3.08Å; H507-R510 PolarHBondContact O-N 3.45Å; R510-I513 PolarHBondContact O-N 2.93Å; R510-A514 PolarHBondContact O-N 2.84Å; R510-A514 VanDerWaalsContact O-N 3.17Å |
| 511 | K | 98.4 | Very high | 95.8 | Very high | 47 Ų | 47 | 34.3 Ų | 34.3 | 20% | 0.204 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.6 | -46.5 | 175.6 | -178.9 | 173.1 | 170.5 | 171.6 | 0 | 111.8 | H507 G508 F509 I513 A514 E515 T658 E680 Y682 | H507-K511 WeakPolarHBondContact O-CB 3.39Å; H507-K511 PolarHBondContact O-N 3.35Å; G508-K511 PolarHBondContact O-N 3.03Å; F509-K511 VanDerWaalsContact C-N 3.32Å; F509-K511 PolarHBondContact O-N 3.38Å; K511-I513 PolarHBondContact O-N 3.15Å; K511-A514 WeakPolarHBondContact O-CB 3.04Å; K511-A514 PolarHBondContact O-N 2.69Å; K511-A514 VanDerWaalsContact O-N 3.15Å; K511-E515 WeakPolarHBondContact CE-OE1 3.27Å; K511-E515 HydrophobicContact CG-CG 4.44Å; K511-E515 WeakPolarHBondContact CG-OE1 3.27Å; K511-E515 WeakPolarHBondContact O-CG 3.39Å; K511-E515 PolarHBondContact O-N 3.39Å; K511-T658 HydrophobicContact CB-CG2 4.4Å; K511-E680 WeakPolarHBondContact CD-O 3.33Å; K511-E680 PolarHBondContact NZ-O 3.17Å; K511-Y682 PolarHBondContact NZ-O 3.34Å |
| 512 | A | 98.1 | Very high | 95.5 | Very high | 21 Ų | 21 | 35.7 Ų | 35.7 | 17% | 0.174 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.4 | -38.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L487 G508 F509 A514 E515 R516 | L487-A512 HydrophobicContact CD1-CB 3.95Å; L487-A512 HydrophobicContact CD2-CB 3.94Å; G508-A512 VanDerWaalsContact O-CB 3.26Å; G508-A512 WeakPolarHBondContact O-CB 3.32Å; G508-A512 PolarHBondContact O-N 3.27Å; F509-A512 PolarHBondContact O-N 3.31Å; A512-A514 VanDerWaalsContact C-N 3.33Å; A512-A514 PolarHBondContact O-N 3.09Å; A512-E515 PolarHBondContact O-N 2.93Å; A512-R516 VanDerWaalsContact O-CG 3.26Å; A512-R516 WeakPolarHBondContact O-CG 3.42Å; A512-R516 PolarHBondContact O-N 2.96Å |
| 513 | I | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.6 | -47.4 | 172.8 | -70.7 | 162.1 | 0 | 0 | 0 | 110.3 | V483 P493 V495 P497 L505 F509 R510 K511 R516 H517 | V483-I513 HydrophobicContact CG1-CD1 3.93Å; V483-I513 HydrophobicContact CG1-CG1 4.19Å; P493-I513 HydrophobicContact CB-CG1 3.97Å; P493-I513 HydrophobicContact CG-CG1 4Å; V495-I513 HydrophobicContact CB-CD1 4.32Å; V495-I513 HydrophobicContact CG1-CD1 4.22Å; V495-I513 WeakPolarHBondContact O-CG2 3.49Å; P497-I513 HydrophobicContact CB-CG2 4.37Å; P497-I513 HydrophobicContact CG-CG2 4.03Å; L505-I513 HydrophobicContact CD1-CD1 3.79Å; F509-I513 WeakPolarHBondContact O-CB 3.38Å; F509-I513 WeakPolarHBondContact O-CD1 3.32Å; F509-I513 WeakPolarHBondContact O-CG1 3.3Å; F509-I513 PolarHBondContact O-N 3.31Å; R510-I513 PolarHBondContact O-N 2.93Å; K511-I513 PolarHBondContact O-N 3.15Å; I513-R516 PolarHBondContact O-N 2.92Å; I513-H517 PolarHBondContact O-N 3.36Å; I513-H517 PolarHBondContact O-ND1 3.19Å |
| 514 | A | 98.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65 | -43 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P497 R510 K511 A512 R516 H517 G518 Y632 T658 S659 | P497-A514 HydrophobicContact CB-CB 4.44Å; R510-A514 PolarHBondContact O-N 2.84Å; R510-A514 VanDerWaalsContact O-N 3.17Å; K511-A514 WeakPolarHBondContact O-CB 3.04Å; K511-A514 PolarHBondContact O-N 2.69Å; K511-A514 VanDerWaalsContact O-N 3.15Å; A512-A514 VanDerWaalsContact C-N 3.33Å; A512-A514 PolarHBondContact O-N 3.09Å; A514-R516 VanDerWaalsContact C-N 3.32Å; A514-R516 PolarHBondContact O-N 3.3Å; A514-H517 PolarHBondContact O-N 3.02Å; A514-H517 VanDerWaalsContact O-N 3.11Å; A514-G518 PolarHBondContact O-N 3.28Å; A514-Y632 HydrophobicContact CB-CE2 4.03Å; A514-Y632 PolarHBondContact O-OH 3.46Å; A514-T658 HydrophobicContact CB-CG2 4.15Å; A514-S659 CarbonylContact C-O 3.52Å; A514-S659 WeakPolarHBondContact CB-O 3.37Å |
| 515 | E | 97.5 | Very high | 93.2 | Very high | 73 Ų | 73 | 42.3 Ų | 42.3 | 34% | 0.341 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -55.4 | -43.5 | 175.2 | -79.4 | 168.1 | -176.5 | 0 | 0 | 112.3 | K511 A512 H517 G518 N519 G660 | K511-E515 WeakPolarHBondContact CE-OE1 3.27Å; K511-E515 HydrophobicContact CG-CG 4.44Å; K511-E515 WeakPolarHBondContact CG-OE1 3.27Å; K511-E515 WeakPolarHBondContact O-CG 3.39Å; K511-E515 PolarHBondContact O-N 3.39Å; A512-E515 PolarHBondContact O-N 2.93Å; E515-H517 VanDerWaalsContact C-N 3.32Å; E515-H517 PolarHBondContact O-N 3.24Å; E515-G518 PolarHBondContact O-N 3.3Å; E515-N519 WeakPolarHBondContact O-CB 3.49Å; E515-N519 VanDerWaalsContact O-CG 3.25Å; E515-N519 PolarHBondContact O-N 3Å; E515-N519 PolarHBondContact O-ND2 2.92Å; E515-G660 VanDerWaalsContact CA-O 3.25Å; E515-G660 WeakPolarHBondContact CA-O 3.41Å; E515-G660 WeakPolarHBondContact CG-O 3.36Å |
| 516 | R | 94.4 | Very high | 92.4 | Very high | 67 Ų | 67 | 46.7 Ų | 46.7 | 25% | 0.253 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.9 | -38.3 | 177.8 | -66.8 | -69.6 | 178 | -172.9 | 1.3 | 112.7 | L487 N490 L492 P493 A512 I513 A514 L520 | L487-R516 HydrophobicContact CD2-CG 4.16Å; N490-R516 PolarHBondContact OD1-NH1 2.98Å; N490-R516 PolarHBondContact OD1-NH2 2.87Å; L492-R516 HydrophobicContact CD1-CB 3.96Å; P493-R516 HydrophobicContact CG-CG 4.37Å; A512-R516 VanDerWaalsContact O-CG 3.26Å; A512-R516 WeakPolarHBondContact O-CG 3.42Å; A512-R516 PolarHBondContact O-N 2.96Å; I513-R516 PolarHBondContact O-N 2.92Å; A514-R516 VanDerWaalsContact C-N 3.32Å; A514-R516 PolarHBondContact O-N 3.3Å; R516-L520 PolarHBondContact O-N 3.41Å; R516-L520 VanDerWaalsContact O-N 3.09Å |
| 517 | H | 94.1 | Very high | 91.2 | Very high | 26 Ų | 26 | 47 Ų | 47 | 12% | 0.12 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -73.3 | -33.9 | 176.4 | -71.6 | 74.2 | 0 | 0 | 0 | 112 | P497 I513 A514 E515 L520 C521 Y632 | P497-H517 HydrophobicContact CG-CB 3.95Å; I513-H517 PolarHBondContact O-N 3.36Å; I513-H517 PolarHBondContact O-ND1 3.19Å; A514-H517 PolarHBondContact O-N 3.02Å; A514-H517 VanDerWaalsContact O-N 3.11Å; E515-H517 VanDerWaalsContact C-N 3.32Å; E515-H517 PolarHBondContact O-N 3.24Å; H517-L520 PolarHBondContact O-N 2.97Å; H517-C521 PolarHBondContact O-N 3.08Å; H517-C521 PolarHBondContact O-SG 3.4Å; H517-C521 VanDerWaalsContact O-SG 3.37Å; H517-Y632 HydrophobicContact CB-CD1 4.12Å; H517-Y632 HydrophobicContact CB-CE1 3.53Å |
| 518 | G | 95.3 | Very high | 90 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.3 | -45.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112 | A514 E515 L520 C521 L522 Y632 | A514-G518 PolarHBondContact O-N 3.28Å; E515-G518 PolarHBondContact O-N 3.3Å; G518-L520 VanDerWaalsContact C-N 3.33Å; G518-L520 PolarHBondContact O-N 3.48Å; G518-C521 VanDerWaalsContact O-CB 3.29Å; G518-C521 WeakPolarHBondContact O-CB 3.39Å; G518-C521 PolarHBondContact O-N 3.3Å; G518-L522 PolarHBondContact O-N 3.43Å; G518-Y632 WeakPolarHBondContact CA-OH 3.42Å; G518-Y632 PolarHBondContact N-OH 3.25Å; G518-Y632 VanDerWaalsContact N-OH 3.09Å |
| 519 | N | 91.3 | Very high | 89.2 | Confident | 61 Ų | 61 | 54.5 Ų | 54.5 | 33% | 0.326 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.9 | -37.1 | 177.4 | -69.2 | -21.1 | 0 | 0 | 0 | 112.5 | E515 C521 L522 D523 | E515-N519 WeakPolarHBondContact O-CB 3.49Å; E515-N519 VanDerWaalsContact O-CG 3.25Å; E515-N519 PolarHBondContact O-N 3Å; E515-N519 PolarHBondContact O-ND2 2.92Å; N519-C521 PolarHBondContact O-N 3.18Å; N519-L522 WeakPolarHBondContact O-CA 3.41Å; N519-L522 WeakPolarHBondContact O-CB 3.46Å; N519-L522 PolarHBondContact O-N 3.17Å; N519-D523 PolarHBondContact O-N 3.2Å |
| 520 | L | 88.1 | Confident | 88.5 | Confident | 69 Ų | 69 | 54.8 Ų | 54.8 | 36% | 0.361 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.1 | -33.7 | 172.9 | -177.5 | 64.9 | 0 | 0 | 0 | 112.2 | L492 R516 H517 G518 K524 | L492-L520 HydrophobicContact CD2-CD2 4.31Å; R516-L520 PolarHBondContact O-N 3.41Å; R516-L520 VanDerWaalsContact O-N 3.09Å; H517-L520 PolarHBondContact O-N 2.97Å; G518-L520 VanDerWaalsContact C-N 3.33Å; G518-L520 PolarHBondContact O-N 3.48Å; L520-K524 WeakPolarHBondContact O-CG 3.37Å; L520-K524 PolarHBondContact O-N 3.2Å |
| 521 | C | 88.9 | Confident | 88.1 | Confident | 9 Ų | 9 | 58.4 Ų | 58.4 | 6% | 0.061 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.5 | -38.7 | 174.2 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | H517 G518 N519 K524 I525 E639 A642 F663 | H517-C521 PolarHBondContact O-N 3.08Å; H517-C521 PolarHBondContact O-SG 3.4Å; H517-C521 VanDerWaalsContact O-SG 3.37Å; G518-C521 VanDerWaalsContact O-CB 3.29Å; G518-C521 WeakPolarHBondContact O-CB 3.39Å; G518-C521 PolarHBondContact O-N 3.3Å; N519-C521 PolarHBondContact O-N 3.18Å; C521-K524 PolarHBondContact O-N 3.27Å; C521-I525 WeakPolarHBondContact O-CG1 3.48Å; C521-I525 WeakPolarHBondContact O-CG2 3.45Å; C521-I525 PolarHBondContact O-N 2.9Å; C521-I525 VanDerWaalsContact O-N 3.13Å; C521-E639 HydrophobicContact CB-CG 4.36Å; C521-A642 HydrophobicContact CB-CB 4.19Å; C521-F663 HydrophobicContact CB-CE1 4.24Å; C521-F663 HydrophobicContact CB-CZ 4.35Å |
| 522 | L | 88.2 | Confident | 87.8 | Confident | 45 Ų | 45 | 60.8 Ų | 60.8 | 24% | 0.236 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.9 | -46 | 175 | -67 | 171 | 0 | 0 | 0 | 111.3 | G518 N519 K524 I525 N526 A642 P662 F663 | G518-L522 PolarHBondContact O-N 3.43Å; N519-L522 WeakPolarHBondContact O-CA 3.41Å; N519-L522 WeakPolarHBondContact O-CB 3.46Å; N519-L522 PolarHBondContact O-N 3.17Å; L522-K524 VanDerWaalsContact C-N 3.3Å; L522-K524 PolarHBondContact O-N 3.11Å; L522-I525 HydrophobicContact CD2-CD1 4.29Å; L522-I525 WeakPolarHBondContact O-CG1 3.47Å; L522-I525 PolarHBondContact O-N 2.87Å; L522-N526 WeakPolarHBondContact O-CB 3.44Å; L522-N526 PolarHBondContact O-N 2.78Å; L522-N526 PolarHBondContact O-ND2 3.24Å; L522-A642 HydrophobicContact CD2-CB 4.14Å; L522-P662 HydrophobicContact CD1-CG 3.83Å; L522-F663 HydrophobicContact CD2-CD1 4.15Å; L522-F663 HydrophobicContact CG-CD1 4.36Å |
| 523 | D | 81.7 | Confident | 87.8 | Confident | 105 Ų | 105 | 61.3 Ų | 61.3 | 56% | 0.561 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -58.5 | -43.6 | 178.5 | -65.1 | -23.3 | 0 | 0 | 0 | 111.5 | N519 I525 | N519-D523 PolarHBondContact O-N 3.2Å; D523-I525 PolarHBondContact O-N 2.86Å |
| 524 | K | 77.6 | Confident | 87.7 | Confident | 110 Ų | 110 | 69.7 Ų | 69.7 | 48% | 0.478 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 176.5 | -71.9 | 178.4 | -172.7 | -178.7 | 0 | 113.2 | L520 C521 L522 E639 | L520-K524 WeakPolarHBondContact O-CG 3.37Å; L520-K524 PolarHBondContact O-N 3.2Å; C521-K524 PolarHBondContact O-N 3.27Å; L522-K524 VanDerWaalsContact C-N 3.3Å; L522-K524 PolarHBondContact O-N 3.11Å; K524-E639 HydrophobicContact CB-CG 4.41Å; K524-E639 HydrophobicContact CD-CG 4.17Å; K524-E639 VanDerWaalsContact CD-OE1 3.29Å; K524-E639 WeakPolarHBondContact CD-OE1 3.41Å; K524-E639 IonicContact NZ-OE1 2.61Å; K524-E639 PolarHBondContact NZ-OE1 3.3Å |
| 525 | I | 83.4 | Confident | 87.7 | Confident | 14 Ų | 14 | 72.1 Ų | 72.1 | 7% | 0.072 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -80.5 | -26.1 | -177.2 | 64 | 154.7 | 0 | 0 | 0 | 112.8 | C521 L522 D523 A527 L528 E639 A642 L643 | C521-I525 WeakPolarHBondContact O-CG1 3.48Å; C521-I525 WeakPolarHBondContact O-CG2 3.45Å; C521-I525 PolarHBondContact O-N 2.9Å; C521-I525 VanDerWaalsContact O-N 3.13Å; L522-I525 HydrophobicContact CD2-CD1 4.29Å; L522-I525 WeakPolarHBondContact O-CG1 3.47Å; L522-I525 PolarHBondContact O-N 2.87Å; D523-I525 PolarHBondContact O-N 2.86Å; I525-A527 PolarHBondContact O-N 3.36Å; I525-L528 HydrophobicContact CB-CD1 4.39Å; I525-L528 HydrophobicContact CG2-CD1 4.47Å; I525-L528 VanDerWaalsContact O-CB 3.22Å; I525-L528 WeakPolarHBondContact O-CB 3.36Å; I525-L528 PolarHBondContact O-N 3.3Å; I525-E639 HydrophobicContact CG2-CB 3.71Å; I525-E639 HydrophobicContact CG2-CG 4.15Å; I525-A642 HydrophobicContact CD1-CB 3.63Å; I525-A642 WeakPolarHBondContact CD1-O 3.43Å; I525-A642 HydrophobicContact CG1-CB 4.19Å; I525-A642 HydrophobicContact CG2-CB 4.43Å; I525-L643 HydrophobicContact CB-CD2 4.07Å; I525-L643 HydrophobicContact CB-CG 4.14Å; I525-L643 HydrophobicContact CD1-CD2 3.88Å; I525-L643 HydrophobicContact CD1-CG 3.91Å; I525-L643 HydrophobicContact CG2-CD1 4.3Å; I525-L643 HydrophobicContact CG2-CD2 4.45Å; I525-L643 HydrophobicContact CG2-CG 3.99Å |
| 526 | N | 79.7 | Confident | 87.5 | Confident | 102 Ų | 102 | 70 Ų | 70 | 55% | 0.545 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.7 | -34.2 | 176.6 | -75.4 | -23.8 | 0 | 0 | 0 | 111.4 | L522 L528 H529 | L522-N526 WeakPolarHBondContact O-CB 3.44Å; L522-N526 PolarHBondContact O-N 2.78Å; L522-N526 PolarHBondContact O-ND2 3.24Å; N526-L528 PolarHBondContact O-N 3.14Å; N526-L528 VanDerWaalsContact O-N 3.12Å; N526-H529 PolarHBondContact O-N 3.27Å |
| 527 | A | 72.1 | Confident | 87.4 | Confident | 65 Ų | 65 | 74.9 Ų | 74.9 | 54% | 0.537 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -21.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | I525 H529 | I525-A527 PolarHBondContact O-N 3.36Å; A527-H529 VanDerWaalsContact C-N 3.32Å; A527-H529 PolarHBondContact O-ND1 3.26Å |
| 528 | L | 72.4 | Confident | 87.5 | Confident | 76 Ų | 76 | 76.7 Ų | 76.7 | 40% | 0.398 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -14.2 | 177.6 | -55.6 | 173.7 | 0 | 0 | 0 | 113 | I525 N526 K530 L643 | I525-L528 HydrophobicContact CB-CD1 4.39Å; I525-L528 HydrophobicContact CG2-CD1 4.47Å; I525-L528 VanDerWaalsContact O-CB 3.22Å; I525-L528 WeakPolarHBondContact O-CB 3.36Å; I525-L528 PolarHBondContact O-N 3.3Å; N526-L528 PolarHBondContact O-N 3.14Å; N526-L528 VanDerWaalsContact O-N 3.12Å; L528-K530 HydrophobicContact CB-CG 4.09Å; L528-K530 PolarHBondContact O-N 2.98Å; L528-K530 VanDerWaalsContact O-N 3.14Å; L528-L643 HydrophobicContact CD1-CD1 4.41Å |
| 529 | H | 79.8 | Confident | 87.6 | Confident | 158 Ų | 158 | 78.4 Ų | 78.4 | 73% | 0.731 | 42% | 0.417 | S | S | * | . | trans | 50.2 | 36.1 | -179.5 | -58.9 | 88.8 | 0 | 0 | 0 | 114 | N526 A527 | N526-H529 PolarHBondContact O-N 3.27Å; A527-H529 VanDerWaalsContact C-N 3.32Å; A527-H529 PolarHBondContact O-ND1 3.26Å | ||
| 530 | K | 83 | Confident | 87.7 | Confident | 69 Ų | 69 | 83.4 Ų | 83.4 | 30% | 0.3 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -80.6 | 137.6 | -179.4 | -70.5 | -169.5 | 76.9 | 96.3 | 0 | 111.1 | L528 G612 D616 L643 | L528-K530 HydrophobicContact CB-CG 4.09Å; L528-K530 PolarHBondContact O-N 2.98Å; L528-K530 VanDerWaalsContact O-N 3.14Å; K530-G612 PolarHBondContact NZ-O 2.61Å; K530-D616 WeakPolarHBondContact CE-OD1 3.29Å; K530-D616 IonicContact NZ-OD1 2.65Å; K530-D616 PolarHBondContact NZ-OD1 2.83Å; K530-D616 IonicContact NZ-OD2 3.96Å; K530-D616 PolarHBondContact NZ-OD2 3.3Å; K530-L643 HydrophobicContact CB-CD2 4.33Å; K530-L643 HydrophobicContact CD-CD2 4.21Å |
| 531 | P | 89.5 | Confident | 87.9 | Confident | 108 Ų | 108 | 84.3 Ų | 84.3 | 70% | 0.701 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -67 | 158 | 170.6 | 30.3 | -34.6 | 0 | 0 | 0 | 111.4 | ||
| 532 | A | 93.7 | Very high | 88.2 | Confident | 97 Ų | 97 | 84.1 Ų | 84.1 | 80% | 0.802 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 143.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 533 | F | 96.6 | Very high | 88.6 | Confident | 33 Ų | 33 | 85.2 Ų | 85.2 | 15% | 0.145 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 147.7 | 177 | -69.4 | -72.6 | 0 | 0 | 0 | 112.2 | A615 D616 H619 L643 P645 | F533-A615 HydrophobicContact CE2-CB 4.3Å; F533-A615 HydrophobicContact CZ-CB 4.28Å; F533-D616 WeakPolarHBondContact CZ-OD1 3.45Å; F533-H619 HydrophobicContact CD1-CB 3.76Å; F533-H619 AromaticContact CD1-CD2 3.32Å; F533-H619 WeakPolarHBondContact CD1-CD2 3.34Å; F533-H619 AromaticContact CD1-CE1 3.88Å; F533-H619 AromaticContact CD1-CG 3.25Å; F533-H619 AromaticContact CD1-ND1 3.62Å; F533-H619 AromaticContact CD1-NE2 3.72Å; F533-H619 HydrophobicContact CE1-CB 3.69Å; F533-H619 AromaticContact CE1-CD2 3.77Å; F533-H619 AromaticContact CE1-CG 3.67Å; F533-H619 HydrophobicContact CG-CB 4.36Å; F533-H619 AromaticContact CG-CG 3.88Å; F533-H619 AromaticContact CG-ND1 3.83Å; F533-H619 HydrophobicContact CZ-CB 4.23Å; F533-L643 WeakPolarHBondContact CD2-O 3.32Å; F533-L643 HydrophobicContact CE2-CB 4.37Å; F533-P645 HydrophobicContact CD2-CB 4.23Å; F533-P645 HydrophobicContact CE2-CB 4.09Å |
| 534 | E | 96.6 | Very high | 89.2 | Confident | 176 Ų | 176 | 82.5 Ų | 82.5 | 82% | 0.822 | 47% | 0.466 | S | S | * | . | trans | -89.5 | 111.5 | 171.8 | -68.8 | -167.1 | 170.7 | 0 | 0 | 110.5 | H619 | E534-H619 PolarHBondContact O-CE1 3.42Å; E534-H619 VanDerWaalsContact O-CE1 3.22Å | ||
| 535 | H | 97.1 | Very high | 90.2 | Very high | 51 Ų | 51 | 80.4 Ų | 80.4 | 24% | 0.236 | 46% | 0.455 | C | S | . | . | trans | -85.9 | 148.8 | -174.4 | -54.2 | 140.5 | 0 | 0 | 0 | 113.6 | R644 P647 Y1018 | H535-R644 PolarHBondContact NE2-O 3.27Å; H535-P647 HydrophobicContact CB-CB 3.7Å; H535-P647 HydrophobicContact CB-CG 3.97Å; H535-Y1018 WeakPolarHBondContact CB-OH 3.46Å | ||
| 536 | P | 93.6 | Very high | 91 | Very high | 28 Ų | 28 | 79.8 Ų | 79.8 | 18% | 0.182 | 45% | 0.452 | C | S | . | . | trans | -58.6 | 140 | 170.9 | -21.2 | 32.2 | 0 | 0 | 0 | 111.8 | Y1018 | P536-Y1018 WeakPolarHBondContact O-CE1 3.42Š| ||
| 537 | K | 93.7 | Very high | 91.9 | Very high | 170 Ų | 170 | 77.2 Ų | 77.2 | 74% | 0.739 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -106.6 | -16.5 | 177.6 | -61.5 | -175 | -178.3 | 179.1 | 0 | 113.9 | ||
| 538 | D | 95.1 | Very high | 93.1 | Very high | 64 Ų | 64 | 74.1 Ų | 74.1 | 34% | 0.342 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -141.7 | 175.2 | 177.2 | 67.2 | 39.8 | 0 | 0 | 0 | 109.6 | K540 | D538-K540 VanDerWaalsContact OD1-CB 3.24Å; D538-K540 WeakPolarHBondContact OD1-CB 3.39Å; D538-K540 VanDerWaalsContact OD1-CG 3.31Å; D538-K540 WeakPolarHBondContact OD1-CG 3.34Å; D538-K540 PolarHBondContact OD1-N 2.64Å; D538-K540 WeakPolarHBondContact OD2-CD 3.34Å; D538-K540 WeakPolarHBondContact OD2-CE 3.33Å; D538-K540 IonicContact OD2-NZ 2.77Å; D538-K540 PolarHBondContact OD2-NZ 3.17Å |
| 539 | L | 96.9 | Very high | 94.4 | Very high | 36 Ų | 36 | 70.5 Ų | 70.5 | 19% | 0.188 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -95.7 | 14.2 | -178.1 | -57.7 | -179.3 | 0 | 0 | 0 | 113.1 | S541 S542 G543 G544 L546 H624 W1015 | L539-S541 PolarHBondContact O-N 2.94Å; L539-S542 PolarHBondContact O-N 3.37Å; L539-S542 PolarHBondContact O-OG 3.07Å; L539-G543 PolarHBondContact O-N 3.48Å; L539-G544 WeakPolarHBondContact O-CA 3.35Å; L539-G544 PolarHBondContact O-N 2.99Å; L539-L546 HydrophobicContact CD2-CD1 3.81Å; L539-H624 WeakPolarHBondContact CD2-NE2 3.09Å; L539-W1015 HydrophobicContact CD2-CD2 4.26Å; L539-W1015 HydrophobicContact CD2-CH2 4.39Å; L539-W1015 HydrophobicContact CD2-CZ2 3.58Å; L539-W1015 HydrophobicContact CG-CZ2 4.07Å |
| 540 | K | 94.7 | Very high | 95.3 | Very high | 166 Ų | 166 | 63 Ų | 63 | 72% | 0.722 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -66.4 | -42.5 | -172.9 | -68 | 175.3 | -170 | 134.9 | 0 | 112 | D538 S542 G543 | D538-K540 VanDerWaalsContact OD1-CB 3.24Å; D538-K540 WeakPolarHBondContact OD1-CB 3.39Å; D538-K540 VanDerWaalsContact OD1-CG 3.31Å; D538-K540 WeakPolarHBondContact OD1-CG 3.34Å; D538-K540 PolarHBondContact OD1-N 2.64Å; D538-K540 WeakPolarHBondContact OD2-CD 3.34Å; D538-K540 WeakPolarHBondContact OD2-CE 3.33Å; D538-K540 IonicContact OD2-NZ 2.77Å; D538-K540 PolarHBondContact OD2-NZ 3.17Å; K540-S542 PolarHBondContact O-N 3.02Å; K540-G543 PolarHBondContact O-N 2.93Å; K540-G543 VanDerWaalsContact O-N 3.14Å |
| 541 | S | 92.5 | Very high | 96.1 | Very high | 88 Ų | 88 | 59.7 Ų | 59.7 | 62% | 0.615 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -67.3 | -16.7 | -179.8 | 54.4 | 0 | 0 | 0 | 0 | 113.8 | L539 | L539-S541 PolarHBondContact O-N 2.94Š|
| 542 | S | 95.3 | Very high | 96.5 | Very high | 6 Ų | 6 | 54.5 Ų | 54.5 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -105.5 | 10.6 | 176.9 | 54.7 | 0 | 0 | 0 | 0 | 113.3 | L539 K540 G544 R545 | L539-S542 PolarHBondContact O-N 3.37Å; L539-S542 PolarHBondContact O-OG 3.07Å; K540-S542 PolarHBondContact O-N 3.02Å; S542-G544 VanDerWaalsContact C-N 3.34Å; S542-R545 WeakPolarHBondContact CB-O 3.32Å; S542-R545 PolarHBondContact O-N 3.49Å; S542-R545 PolarHBondContact OG-O 2.95Å |
| 543 | G | 94.9 | Very high | 96.7 | Very high | 68 Ų | 68 | 50.5 Ų | 50.5 | 70% | 0.701 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67 | 33.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L539 K540 R545 | L539-G543 PolarHBondContact O-N 3.48Å; K540-G543 PolarHBondContact O-N 2.93Å; K540-G543 VanDerWaalsContact O-N 3.14Å; G543-R545 VanDerWaalsContact C-N 3.32Å |
| 544 | G | 96.2 | Very high | 96.8 | Very high | 47 Ų | 47 | 49.6 Ų | 49.6 | 49% | 0.485 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84 | -0.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L539 S542 | L539-G544 WeakPolarHBondContact O-CA 3.35Å; L539-G544 PolarHBondContact O-N 2.99Å; S542-G544 VanDerWaalsContact C-N 3.34Å |
| 545 | R | 98.3 | Very high | 96.9 | Very high | 67 Ų | 67 | 41.2 Ų | 41.2 | 25% | 0.253 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -95.4 | 138.8 | -178.6 | -60.3 | -175.9 | -60.9 | 169.3 | 6.3 | 112.4 | S542 G543 R547 P573 K575 E577 | S542-R545 WeakPolarHBondContact CB-O 3.32Å; S542-R545 PolarHBondContact O-N 3.49Å; S542-R545 PolarHBondContact OG-O 2.95Å; G543-R545 VanDerWaalsContact C-N 3.32Å; R545-R547 PolarHBondContact O-N 3.42Å; R545-P573 WeakPolarHBondContact CD-O 3.37Å; R545-K575 CarbonylContact C-O 3.54Å; R545-K575 VanDerWaalsContact CA-O 3.31Å; R545-K575 WeakPolarHBondContact CA-O 3.34Å; R545-E577 HydrophobicContact CB-CB 4.39Å; R545-E577 IonicContact CZ-OE1 3.59Å; R545-E577 IonicContact CZ-OE2 3.93Å; R545-E577 IonicContact NH2-OE1 3.85Å; R545-E577 PolarHBondContact NH2-OE1 3.3Å; R545-E577 IonicContact NH2-OE2 2.95Å; R545-E577 PolarHBondContact NH2-OE2 3.25Å; R545-E577 VanDerWaalsContact NH2-OE2 3.09Å |
| 546 | L | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 117.8 | 172.1 | -168.5 | 65.8 | 0 | 0 | 0 | 110.1 | L539 I548 K575 F576 E577 H624 I625 W1015 | L539-L546 HydrophobicContact CD2-CD1 3.81Å; L546-I548 HydrophobicContact CD2-CD1 3.86Å; L546-I548 HydrophobicContact CG-CD1 3.88Å; L546-K575 PolarHBondContact N-O 3Å; L546-F576 HydrophobicContact CB-CD1 4.02Å; L546-F576 HydrophobicContact CB-CE1 4.21Å; L546-F576 HydrophobicContact CD2-CD1 4.38Å; L546-F576 HydrophobicContact CD2-CE1 3.94Å; L546-F576 WeakPolarHBondContact O-CA 3.47Å; L546-E577 PolarHBondContact O-N 3.15Å; L546-H624 HydrophobicContact CD1-CB 3.47Å; L546-H624 VanDerWaalsContact CD1-CB 3.47Å; L546-H624 HydrophobicContact CG-CB 4.37Å; L546-I625 HydrophobicContact CD2-CD1 3.93Å; L546-W1015 HydrophobicContact CD1-CB 3.83Å; L546-W1015 HydrophobicContact CD1-CD2 3.64Å; L546-W1015 HydrophobicContact CD1-CE3 4.01Å; L546-W1015 HydrophobicContact CD1-CG 3.53Å; L546-W1015 HydrophobicContact CD2-CB 4.01Å; L546-W1015 HydrophobicContact CD2-CG 4.48Å |
| 547 | R | 98.9 | Very high | 97.1 | Very high | 48 Ų | 48 | 41.2 Ų | 41.2 | 18% | 0.181 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 116.9 | 176.2 | -59.7 | -179.4 | 169.2 | 157.1 | 6.6 | 111.5 | R545 E577 F579 D621 G622 I623 H624 I625 | R545-R547 PolarHBondContact O-N 3.42Å; R547-E577 CarbonylContact C-O 3.59Å; R547-E577 VanDerWaalsContact CA-O 3.27Å; R547-E577 WeakPolarHBondContact CA-O 3.3Å; R547-E577 HydrophobicContact CG-CB 4.11Å; R547-E577 IonicContact CZ-OE2 3.09Å; R547-E577 IonicContact NE-OE2 3.05Å; R547-E577 PolarHBondContact NE-OE2 3.37Å; R547-E577 IonicContact NH2-OE2 3.46Å; R547-F579 HydrophobicContact CB-CD2 4.32Å; R547-F579 HydrophobicContact CB-CE2 3.93Å; R547-F579 HydrophobicContact CG-CE2 3.86Å; R547-D621 WeakPolarHBondContact CD-O 3.44Å; R547-D621 PolarHBondContact NH1-O 3.33Å; R547-G622 WeakPolarHBondContact CD-O 3.48Å; R547-I623 HydrophobicContact CB-CD1 4.17Å; R547-H624 WeakPolarHBondContact CA-ND1 3.42Å; R547-H624 VanDerWaalsContact CB-ND1 3.29Å; R547-H624 WeakPolarHBondContact CB-ND1 3.35Å; R547-H624 PolarHBondContact N-ND1 3.25Å; R547-H624 PolarHBondContact O-N 3.27Å; R547-I625 PolarHBondContact O-N 2.96Å |
| 548 | I | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 127 | 178.7 | -50.9 | -60.1 | 0 | 0 | 0 | 109.1 | L546 Y550 F576 E577 F579 I625 V627 Y1011 | L546-I548 HydrophobicContact CD2-CD1 3.86Å; L546-I548 HydrophobicContact CG-CD1 3.88Å; I548-Y550 HydrophobicContact CG2-CD2 4.33Å; I548-Y550 HydrophobicContact CG2-CE1 4.25Å; I548-Y550 HydrophobicContact CG2-CE2 3.83Å; I548-F576 HydrophobicContact CD1-CD1 4.4Å; I548-F576 HydrophobicContact CG1-CD1 4.01Å; I548-E577 PolarHBondContact N-O 2.85Å; I548-F579 PolarHBondContact O-N 3.08Å; I548-I625 WeakPolarHBondContact CA-O 3.4Å; I548-I625 HydrophobicContact CD1-CB 3.76Å; I548-I625 HydrophobicContact CD1-CD1 4.01Å; I548-I625 HydrophobicContact CD1-CG1 4.07Å; I548-V627 HydrophobicContact CG2-CG2 4.08Å; I548-Y1011 HydrophobicContact CD1-CD1 4.43Å; I548-Y1011 HydrophobicContact CD1-CD2 3.79Å; I548-Y1011 HydrophobicContact CD1-CE2 4.27Å; I548-Y1011 HydrophobicContact CD1-CG 3.9Å; I548-Y1011 HydrophobicContact CG1-CD2 4.06Å; I548-Y1011 HydrophobicContact CG1-CE2 4.28Å; I548-Y1011 HydrophobicContact CG2-CE2 3.95Å |
| 549 | G | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 112.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F579 I625 L626 V627 | G549-F579 CarbonylContact C-O 3.55Å; G549-F579 WeakPolarHBondContact CA-O 3.21Å; G549-I625 PolarHBondContact N-O 3.29Å; G549-L626 CarbonylContact O-C 3.59Å; G549-V627 PolarHBondContact O-N 3.33Å |
| 550 | Y | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 117.8 | 172.7 | -64.9 | -74.2 | 0 | 0 | 0 | 110.3 | I548 H571 V578 F579 Y581 V627 M629 W652 Y1011 | I548-Y550 HydrophobicContact CG2-CD2 4.33Å; I548-Y550 HydrophobicContact CG2-CE1 4.25Å; I548-Y550 HydrophobicContact CG2-CE2 3.83Å; Y550-H571 AromaticContact CE2-NE2 3.76Å; Y550-H571 AromaticContact CZ-NE2 3.68Å; Y550-H571 PolarHBondContact OH-NE2 3.24Å; Y550-V578 HydrophobicContact CD2-CG1 3.84Å; Y550-V578 HydrophobicContact CE2-CG1 3.81Å; Y550-F579 PolarHBondContact N-O 3.2Å; Y550-Y581 PolarHBondContact O-N 3.38Å; Y550-V627 HydrophobicContact CD1-CB 3.81Å; Y550-V627 HydrophobicContact CD1-CG1 3.97Å; Y550-V627 HydrophobicContact CD1-CG2 4.13Å; Y550-V627 HydrophobicContact CE1-CB 4.21Å; Y550-V627 HydrophobicContact CE1-CG1 4.21Å; Y550-V627 HydrophobicContact CE1-CG2 4.09Å; Y550-M629 HydrophobicContact CD1-SD 3.86Å; Y550-M629 HydrophobicContact CG-SD 4.27Å; Y550-W652 AromaticContact CD1-CE3 3.97Å; Y550-W652 HydrophobicContact CD1-CE3 3.97Å; Y550-W652 AromaticContact CD1-CZ3 3.71Å; Y550-W652 HydrophobicContact CD1-CZ3 3.71Å; Y550-W652 AromaticContact CE1-CE3 3.73Å; Y550-W652 HydrophobicContact CE1-CE3 3.73Å; Y550-W652 HydrophobicContact CE1-CH2 4.26Å; Y550-W652 AromaticContact CE1-CZ3 3.38Å; Y550-W652 HydrophobicContact CE1-CZ3 3.38Å; Y550-Y1011 WeakPolarHBondContact CE1-OH 3.46Å; Y550-Y1011 WeakPolarHBondContact OH-CE2 3.45Å; Y550-Y1011 PolarHBondContact OH-OH 3.42Å |
| 551 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 121.5 | 179.3 | -170.1 | 0 | 0 | 0 | 0 | 109.7 | Y581 L583 L626 V627 M629 L640 F641 | V551-Y581 HydrophobicContact CG2-CD2 4.02Å; V551-Y581 HydrophobicContact CG2-CG 4.44Å; V551-L583 HydrophobicContact CG1-CD1 4Å; V551-L583 HydrophobicContact CG1-CD2 3.7Å; V551-L583 HydrophobicContact CG1-CG 3.91Å; V551-L626 HydrophobicContact CG2-CD1 3.55Å; V551-L626 HydrophobicContact CG2-CD2 4.31Å; V551-L626 HydrophobicContact CG2-CG 3.86Å; V551-V627 PolarHBondContact N-O 2.84Å; V551-M629 WeakPolarHBondContact O-CB 3.49Å; V551-M629 PolarHBondContact O-N 3.26Å; V551-M629 VanDerWaalsContact O-N 3.15Å; V551-L640 HydrophobicContact CG1-CD1 4.47Å; V551-F641 HydrophobicContact CB-CE2 3.98Å; V551-F641 HydrophobicContact CB-CZ 3.72Å; V551-F641 HydrophobicContact CG1-CE2 4.1Å; V551-F641 HydrophobicContact CG1-CZ 4.36Å; V551-F641 HydrophobicContact CG2-CE2 4.16Å; V551-F641 HydrophobicContact CG2-CZ 3.65Å |
| 552 | S | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 140.3 | -178.6 | -166.5 | 0 | 0 | 0 | 0 | 112.9 | D554 Y581 A582 L583 N630 | S552-D554 PolarHBondContact O-N 3.03Å; S552-D554 WeakPolarHBondContact OG-CB 3.44Å; S552-D554 PolarHBondContact OG-N 2.91Å; S552-Y581 PolarHBondContact N-O 2.89Å; S552-A582 CarbonylContact O-C 3.58Å; S552-A582 WeakPolarHBondContact O-CA 3.48Å; S552-L583 PolarHBondContact O-N 2.91Å; S552-N630 VanDerWaalsContact CA-OD1 3.31Å; S552-N630 WeakPolarHBondContact CA-OD1 3.4Å |
| 553 | S | 98.2 | Very high | 98.2 | Very high | 13 Ų | 13 | 23.3 Ų | 23.3 | 9% | 0.091 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -77.5 | -0.8 | 161.6 | 59.8 | 0 | 0 | 0 | 0 | 113.7 | S584 N630 K634 | S553-S584 VanDerWaalsContact C-OG 3.31Å; S553-S584 WeakPolarHBondContact O-CB 3.26Å; S553-S584 PolarHBondContact O-OG 3.4Å; S553-N630 PolarHBondContact N-ND2 3.33Å; S553-N630 PolarHBondContact N-OD1 2.83Å; S553-N630 VanDerWaalsContact N-OD1 3.12Å; S553-N630 PolarHBondContact OG-ND2 3.13Å; S553-K634 PolarHBondContact OG-O 3.46Å |
| 554 | D | 98.4 | Very high | 98.3 | Very high | 13 Ų | 13 | 20.1 Ų | 20.1 | 7% | 0.07 | 11% | 0.112 | C | C | . | . | trans | -116.4 | 14.1 | -161.6 | -56.4 | -16.6 | 0 | 0 | 0 | 113.1 | S552 G556 H558 T560 S561 | S552-D554 PolarHBondContact O-N 3.03Å; S552-D554 WeakPolarHBondContact OG-CB 3.44Å; S552-D554 PolarHBondContact OG-N 2.91Å; D554-G556 VanDerWaalsContact C-N 3.3Å; D554-G556 PolarHBondContact O-N 3.14Å; D554-H558 HydrophobicContact CB-CB 3.86Å; D554-H558 VanDerWaalsContact CB-ND1 3.34Å; D554-H558 WeakPolarHBondContact CB-ND1 3.4Å; D554-H558 VanDerWaalsContact CG-CE1 3.44Å; D554-H558 IonicContact OD1-CE1 3.65Å; D554-H558 IonicContact OD1-ND1 3.85Å; D554-H558 IonicContact OD2-CE1 2.64Å; D554-H558 PolarHBondContact OD2-CE1 3.34Å; D554-H558 IonicContact OD2-ND1 3.82Å; D554-H558 PolarHBondContact OD2-ND1 3.01Å; D554-T560 HydrophobicContact CB-CG2 4.18Å; D554-T560 PolarHBondContact OD2-OG1 2.88Å; D554-S561 PolarHBondContact O-OG 3.23Å | ||
| 555 | F | 98.5 | Very high | 98.4 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 0% | 0.004 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -71.5 | 86.5 | 169.5 | -62.4 | -45.9 | 0 | 0 | 0 | 110.1 | M564 C580 A582 R592 V595 F602 M629 | F555-M564 HydrophobicContact CE1-CE 4.13Å; F555-M564 HydrophobicContact CE1-SD 4.16Å; F555-C580 HydrophobicContact CE2-CB 3.95Å; F555-C580 HydrophobicContact CZ-CB 4.11Å; F555-A582 HydrophobicContact CD2-CB 4.1Å; F555-R592 WeakPolarHBondContact O-CD 3.11Å; F555-R592 PolarHBondContact O-NH1 3.43Å; F555-V595 HydrophobicContact CD1-CG1 4.02Å; F555-V595 HydrophobicContact CD1-CG2 4.37Å; F555-V595 HydrophobicContact CE1-CG1 4.24Å; F555-V595 HydrophobicContact CG-CG1 4.33Å; F555-F602 HydrophobicContact CD2-CE2 4.19Å; F555-F602 HydrophobicContact CD2-CZ 4.38Å; F555-M629 HydrophobicContact CE1-SD 4.46Å; F555-M629 HydrophobicContact CZ-SD 4.38Å |
| 556 | G | 97.6 | Very high | 98.5 | Very high | 4 Ų | 4 | 15.1 Ų | 15.1 | 4% | 0.041 | 8% | 0.08 | C | C | . | . | S | Bend | trans | 170.2 | -156.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | D554 H558 S561 D587 F591 | D554-G556 VanDerWaalsContact C-N 3.3Å; D554-G556 PolarHBondContact O-N 3.14Å; G556-H558 PolarHBondContact O-N 3.47Å; G556-S561 PolarHBondContact N-OG 3.16Å; G556-S561 WeakPolarHBondContact O-CB 3.37Å; G556-S561 PolarHBondContact O-OG 2.9Å; G556-D587 WeakPolarHBondContact CA-OD2 3.49Å; G556-F591 VanDerWaalsContact O-CB 3.24Å; G556-F591 WeakPolarHBondContact O-CB 3.4Å |
| 557 | N | 97.5 | Very high | 98.5 | Very high | 74 Ų | 74 | 15.1 Ų | 15.1 | 40% | 0.396 | 8% | 0.08 | S | C | . | . | S | Bend | trans | -78 | 72.2 | 174.5 | -173.9 | 17.5 | 0 | 0 | 0 | 111.9 | H562 D587 T589 F591 | N557-H562 PolarHBondContact OD1-CE1 3.22Å; N557-H562 PolarHBondContact OD1-NE2 3.28Å; N557-D587 PolarHBondContact N-OD2 3.46Å; N557-T589 HydrophobicContact CB-CG2 3.81Å; N557-T589 PolarHBondContact N-OG1 3.17Å; N557-F591 HydrophobicContact CB-CD2 3.85Å; N557-F591 HydrophobicContact CB-CE2 4.02Å |
| 558 | H | 97.9 | Very high | 98.5 | Very high | 75 Ų | 75 | 12.9 Ų | 12.9 | 35% | 0.347 | 7% | 0.071 | S | C | . | . | S | Bend | trans | -134.7 | 150.4 | 178.4 | -170.2 | -95.6 | 0 | 0 | 0 | 110.3 | D554 G556 T560 S561 H562 | D554-H558 HydrophobicContact CB-CB 3.86Å; D554-H558 VanDerWaalsContact CB-ND1 3.34Å; D554-H558 WeakPolarHBondContact CB-ND1 3.4Å; D554-H558 VanDerWaalsContact CG-CE1 3.44Å; D554-H558 IonicContact OD1-CE1 3.65Å; D554-H558 IonicContact OD1-ND1 3.85Å; D554-H558 IonicContact OD2-CE1 2.64Å; D554-H558 PolarHBondContact OD2-CE1 3.34Å; D554-H558 IonicContact OD2-ND1 3.82Å; D554-H558 PolarHBondContact OD2-ND1 3.01Å; G556-H558 PolarHBondContact O-N 3.47Å; H558-T560 PolarHBondContact CE1-OG1 3.42Å; H558-T560 PolarHBondContact ND1-N 3.32Å; H558-T560 PolarHBondContact ND1-OG1 3.34Å; H558-T560 PolarHBondContact O-N 2.93Å; H558-T560 VanDerWaalsContact O-N 3.07Å; H558-S561 PolarHBondContact O-N 2.92Å; H558-H562 PolarHBondContact O-CD2 3.38Å; H558-H562 PolarHBondContact O-N 3.48Å |
| 559 | P | 97.7 | Very high | 98.4 | Very high | 57 Ų | 57 | 14.7 Ų | 14.7 | 37% | 0.37 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -47 | -40.1 | 176.9 | -33.3 | 37 | 0 | 0 | 0 | 114.2 | S561 H562 L563 T922 | P559-S561 PolarHBondContact O-N 2.98Å; P559-H562 WeakPolarHBondContact O-CB 3.46Å; P559-H562 PolarHBondContact O-N 3.02Å; P559-H562 VanDerWaalsContact O-N 3.11Å; P559-L563 VanDerWaalsContact O-CG 3.3Å; P559-L563 WeakPolarHBondContact O-CG 3.42Å; P559-L563 PolarHBondContact O-N 3.48Å; P559-L563 VanDerWaalsContact O-N 3.14Å; P559-T922 HydrophobicContact CB-CG2 4.35Å |
| 560 | T | 98.4 | Very high | 98.4 | Very high | 7 Ų | 7 | 17.1 Ų | 17.1 | 4% | 0.043 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -52.1 | -53.8 | 176.2 | -49 | 0 | 0 | 0 | 0 | 111.8 | D554 H558 H562 L563 M564 M629 | D554-T560 HydrophobicContact CB-CG2 4.18Å; D554-T560 PolarHBondContact OD2-OG1 2.88Å; H558-T560 PolarHBondContact CE1-OG1 3.42Å; H558-T560 PolarHBondContact ND1-N 3.32Å; H558-T560 PolarHBondContact ND1-OG1 3.34Å; H558-T560 PolarHBondContact O-N 2.93Å; H558-T560 VanDerWaalsContact O-N 3.07Å; T560-H562 PolarHBondContact O-N 3.04Å; T560-L563 WeakPolarHBondContact O-CB 3.34Å; T560-L563 PolarHBondContact O-N 3.17Å; T560-L563 VanDerWaalsContact O-N 3.08Å; T560-M564 HydrophobicContact CG2-CG 4.4Å; T560-M564 WeakPolarHBondContact O-CG 3.16Å; T560-M564 PolarHBondContact O-N 3.48Å; T560-M564 VanDerWaalsContact O-N 3.11Å; T560-M629 HydrophobicContact CG2-CE 3.41Å; T560-M629 VanDerWaalsContact CG2-CE 3.41Å |
| 561 | S | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.3 | -36.6 | 176.4 | -83.1 | 0 | 0 | 0 | 0 | 113.2 | D554 G556 H558 P559 L563 M564 Q565 | D554-S561 PolarHBondContact O-OG 3.23Å; G556-S561 PolarHBondContact N-OG 3.16Å; G556-S561 WeakPolarHBondContact O-CB 3.37Å; G556-S561 PolarHBondContact O-OG 2.9Å; H558-S561 PolarHBondContact O-N 2.92Å; P559-S561 PolarHBondContact O-N 2.98Å; S561-L563 PolarHBondContact O-N 3.41Å; S561-L563 VanDerWaalsContact O-N 3.13Å; S561-M564 PolarHBondContact O-N 2.98Å; S561-Q565 WeakPolarHBondContact O-CB 3.33Å; S561-Q565 VanDerWaalsContact O-CG 3.28Å; S561-Q565 WeakPolarHBondContact O-CG 3.32Å; S561-Q565 PolarHBondContact O-N 3.01Å |
| 562 | H | 98.6 | Very high | 98.4 | Very high | 10 Ų | 10 | 19.7 Ų | 19.7 | 5% | 0.046 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.5 | -19.4 | 175.4 | -54.1 | 167.8 | 0 | 0 | 0 | 112.7 | N557 H558 P559 T560 F591 D697 M701 K899 | N557-H562 PolarHBondContact OD1-CE1 3.22Å; N557-H562 PolarHBondContact OD1-NE2 3.28Å; H558-H562 PolarHBondContact O-CD2 3.38Å; H558-H562 PolarHBondContact O-N 3.48Å; P559-H562 WeakPolarHBondContact O-CB 3.46Å; P559-H562 PolarHBondContact O-N 3.02Å; P559-H562 VanDerWaalsContact O-N 3.11Å; T560-H562 PolarHBondContact O-N 3.04Å; H562-F591 AromaticContact CD2-CE1 3.63Å; H562-F591 AromaticContact CD2-CZ 3.6Å; H562-F591 AromaticContact NE2-CE2 3.66Å; H562-F591 AromaticContact NE2-CZ 3.59Å; H562-D697 VanDerWaalsContact O-CB 3.28Å; H562-D697 WeakPolarHBondContact O-CB 3.27Å; H562-D697 PolarHBondContact O-N 3.08Å; H562-M701 HydrophobicContact CB-CE 4.31Å; H562-M701 HydrophobicContact CB-SD 4.04Å; H562-K899 WeakPolarHBondContact ND1-CE 3.48Å |
| 563 | L | 98.8 | Very high | 98.4 | Very high | 6 Ų | 6 | 23.1 Ų | 23.1 | 3% | 0.031 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -92.7 | -45.7 | 177.8 | -60.5 | 172.8 | 0 | 0 | 0 | 112.4 | P559 T560 S561 L653 F694 I695 G696 D697 T922 M925 | P559-L563 VanDerWaalsContact O-CG 3.3Å; P559-L563 WeakPolarHBondContact O-CG 3.42Å; P559-L563 PolarHBondContact O-N 3.48Å; P559-L563 VanDerWaalsContact O-N 3.14Å; T560-L563 WeakPolarHBondContact O-CB 3.34Å; T560-L563 PolarHBondContact O-N 3.17Å; T560-L563 VanDerWaalsContact O-N 3.08Å; S561-L563 PolarHBondContact O-N 3.41Å; S561-L563 VanDerWaalsContact O-N 3.13Å; L563-L653 HydrophobicContact CB-CD2 4.12Å; L563-L653 HydrophobicContact CD1-CD1 4.11Å; L563-L653 HydrophobicContact CD1-CD2 4.43Å; L563-L653 HydrophobicContact CD1-CG 4.32Å; L563-F694 HydrophobicContact CD1-CE1 3.92Å; L563-F694 HydrophobicContact CD1-CZ 3.68Å; L563-F694 HydrophobicContact CD2-CE1 3.91Å; L563-F694 HydrophobicContact CD2-CZ 4.48Å; L563-I695 WeakPolarHBondContact CB-O 3.49Å; L563-I695 WeakPolarHBondContact CD2-O 3.36Å; L563-G696 CarbonylContact O-C 3.36Å; L563-D697 PolarHBondContact O-N 3.39Å; L563-T922 HydrophobicContact CD2-CG2 4.06Å; L563-M925 HydrophobicContact CD2-CG 4.43Å |
| 564 | M | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -121.5 | 4.3 | -165.3 | 64.9 | 67.4 | 75.8 | 0 | 0 | 116.6 | F555 T560 S561 S566 I567 P568 M629 W652 L653 | F555-M564 HydrophobicContact CE1-CE 4.13Å; F555-M564 HydrophobicContact CE1-SD 4.16Å; T560-M564 HydrophobicContact CG2-CG 4.4Å; T560-M564 WeakPolarHBondContact O-CG 3.16Å; T560-M564 PolarHBondContact O-N 3.48Å; T560-M564 VanDerWaalsContact O-N 3.11Å; S561-M564 PolarHBondContact O-N 2.98Å; M564-S566 PolarHBondContact O-N 2.92Å; M564-I567 HydrophobicContact CB-CB 4.49Å; M564-I567 HydrophobicContact CB-CG1 3.9Å; M564-I567 WeakPolarHBondContact O-CB 3.43Å; M564-I567 WeakPolarHBondContact O-CG1 3.28Å; M564-I567 PolarHBondContact O-N 3.46Å; M564-P568 HydrophobicContact CE-CG 4.11Å; M564-P568 WeakPolarHBondContact O-CD 3.43Å; M564-M629 HydrophobicContact CE-CE 3.52Å; M564-M629 HydrophobicContact CE-SD 3.98Å; M564-M629 HydrophobicContact CG-CE 3.58Å; M564-M629 HydrophobicContact SD-CE 3.67Å; M564-W652 HydrophobicContact CB-CH2 3.88Å; M564-W652 HydrophobicContact CE-CH2 4.23Å; M564-W652 HydrophobicContact CE-CZ3 3.94Å; M564-W652 HydrophobicContact CG-CH2 4.28Å; M564-W652 HydrophobicContact CG-CZ3 4.48Å; M564-L653 HydrophobicContact CB-CD2 3.84Å; M564-L653 HydrophobicContact CG-CD2 3.83Å |
| 565 | Q | 98.6 | Very high | 98.3 | Very high | 8 Ų | 8 | 34.9 Ų | 34.9 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -24 | -174.3 | 61.9 | 176.6 | -33.2 | 0 | 0 | 115.3 | S561 F591 K594 V595 D697 M701 | S561-Q565 WeakPolarHBondContact O-CB 3.33Å; S561-Q565 VanDerWaalsContact O-CG 3.28Å; S561-Q565 WeakPolarHBondContact O-CG 3.32Å; S561-Q565 PolarHBondContact O-N 3.01Å; Q565-F591 VanDerWaalsContact OE1-CD1 3.29Å; Q565-K594 HydrophobicContact CB-CD 4.28Å; Q565-K594 HydrophobicContact CG-CD 4.02Å; Q565-K594 WeakPolarHBondContact O-CE 3.37Å; Q565-V595 HydrophobicContact CB-CG2 4.15Å; Q565-D697 VanDerWaalsContact CD-OD2 3.29Å; Q565-D697 HydrophobicContact CG-CB 4.14Å; Q565-D697 WeakPolarHBondContact CG-OD2 3.48Å; Q565-D697 PolarHBondContact NE2-OD2 2.94Å; Q565-M701 VanDerWaalsContact NE2-CG 3.32Å; Q565-M701 PolarHBondContact NE2-SD 3.31Å |
| 566 | S | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.014 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -16.1 | 177.3 | -65.5 | 0 | 0 | 0 | 0 | 114.2 | M564 G569 M570 K594 D697 | M564-S566 PolarHBondContact O-N 2.92Å; S566-G569 PolarHBondContact O-N 3.01Å; S566-M570 WeakPolarHBondContact O-CB 3.45Å; S566-M570 VanDerWaalsContact O-CG 3.22Å; S566-M570 WeakPolarHBondContact O-CG 3.46Å; S566-M570 PolarHBondContact O-N 3.46Å; S566-K594 WeakPolarHBondContact OG-CE 3.38Å; S566-K594 PolarHBondContact OG-NZ 3.47Å; S566-D697 WeakPolarHBondContact CB-OD1 3.29Å; S566-D697 PolarHBondContact OG-OD1 3.45Å; S566-D697 PolarHBondContact OG-OD2 3.21Å |
| 567 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.1 | -45.8 | -176.4 | -56.6 | -61.2 | 0 | 0 | 0 | 111.9 | M564 G569 M570 H571 W652 T1000 Y1003 T1004 L1007 | M564-I567 HydrophobicContact CB-CB 4.49Å; M564-I567 HydrophobicContact CB-CG1 3.9Å; M564-I567 WeakPolarHBondContact O-CB 3.43Å; M564-I567 WeakPolarHBondContact O-CG1 3.28Å; M564-I567 PolarHBondContact O-N 3.46Å; I567-G569 VanDerWaalsContact C-N 3.28Å; I567-G569 PolarHBondContact O-N 3.47Å; I567-M570 PolarHBondContact O-N 2.9Å; I567-H571 PolarHBondContact O-CD2 2.88Å; I567-H571 PolarHBondContact O-N 3.49Å; I567-W652 HydrophobicContact CG1-CH2 4.42Å; I567-W652 HydrophobicContact CG2-CH2 4.3Å; I567-T1000 HydrophobicContact CD1-CG2 4.43Å; I567-Y1003 HydrophobicContact CD1-CD1 3.91Å; I567-T1004 WeakPolarHBondContact CD1-OG1 3.26Å; I567-T1004 HydrophobicContact CG2-CG2 4.26Å; I567-L1007 HydrophobicContact CG2-CD2 4.25Å |
| 568 | P | 98.6 | Very high | 98.5 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -54.5 | -41.5 | 179.7 | -28.5 | 37.3 | 0 | 0 | 0 | 113.9 | M564 V578 V595 A599 | M564-P568 HydrophobicContact CE-CG 4.11Å; M564-P568 WeakPolarHBondContact O-CD 3.43Å; P568-V578 HydrophobicContact CB-CG1 4.14Å; P568-V595 HydrophobicContact CG-CG1 4.41Å; P568-A599 HydrophobicContact CB-CB 4.3Å |
| 569 | G | 98.4 | Very high | 98.5 | Very high | 38 Ų | 38 | 28.7 Ų | 28.7 | 39% | 0.392 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -79.9 | -11.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | S566 I567 | S566-G569 PolarHBondContact O-N 3.01Å; I567-G569 VanDerWaalsContact C-N 3.28Å; I567-G569 PolarHBondContact O-N 3.47Å |
| 570 | M | 98.7 | Very high | 98.6 | Very high | 50 Ų | 50 | 26 Ų | 26 | 25% | 0.246 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -94.5 | -8.2 | -178.2 | -77.4 | -177.5 | 179.1 | 0 | 0 | 113.8 | S566 I567 T1000 K1001 T1004 | S566-M570 WeakPolarHBondContact O-CB 3.45Å; S566-M570 VanDerWaalsContact O-CG 3.22Å; S566-M570 WeakPolarHBondContact O-CG 3.46Å; S566-M570 PolarHBondContact O-N 3.46Å; I567-M570 PolarHBondContact O-N 2.9Å; M570-T1000 WeakPolarHBondContact CE-OG1 3.49Å; M570-T1000 PolarHBondContact SD-OG1 3.45Å; M570-K1001 HydrophobicContact CB-CD 4.22Å; M570-K1001 HydrophobicContact CG-CD 4.31Å; M570-K1001 PolarHBondContact O-NZ 3.2Å; M570-K1001 HydrophobicContact SD-CB 4.1Å; M570-K1001 HydrophobicContact SD-CD 4.44Å; M570-T1004 HydrophobicContact CB-CG2 4.03Å |
| 571 | H | 98.8 | Very high | 98.6 | Very high | 7 Ų | 7 | 25.6 Ų | 25.6 | 3% | 0.032 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -61.4 | 144.7 | 175.5 | -85 | -67.2 | 0 | 0 | 0 | 112.2 | Y550 I567 P573 F576 V578 E1008 | Y550-H571 AromaticContact CE2-NE2 3.76Å; Y550-H571 AromaticContact CZ-NE2 3.68Å; Y550-H571 PolarHBondContact OH-NE2 3.24Å; I567-H571 PolarHBondContact O-CD2 2.88Å; I567-H571 PolarHBondContact O-N 3.49Å; H571-P573 VanDerWaalsContact O-CD 3.24Å; H571-P573 WeakPolarHBondContact O-CD 3.47Å; H571-F576 HydrophobicContact CB-CB 4.33Å; H571-V578 HydrophobicContact CB-CG2 3.63Å; H571-V578 WeakPolarHBondContact CD2-CG2 3.32Å; H571-E1008 WeakPolarHBondContact CA-OE1 3.41Å; H571-E1008 IonicContact CG-OE1 3.65Å; H571-E1008 WeakPolarHBondContact ND1-CG 3.48Å; H571-E1008 IonicContact ND1-OE1 2.84Å; H571-E1008 PolarHBondContact ND1-OE1 2.97Å |
| 572 | N | 98.5 | Very high | 98.6 | Very high | 47 Ų | 47 | 25.6 Ų | 25.6 | 25% | 0.251 | 14% | 0.137 | S | C | . | . | trans | -72.1 | 110.2 | 174.5 | 179.9 | -1.6 | 0 | 0 | 0 | 110 | E574 K575 F576 E1008 | N572-E574 PolarHBondContact O-N 3.21Å; N572-E574 VanDerWaalsContact O-N 3.16Å; N572-E574 WeakPolarHBondContact OD1-CB 3.31Å; N572-E574 PolarHBondContact OD1-N 2.85Å; N572-K575 PolarHBondContact O-N 3.36Å; N572-K575 VanDerWaalsContact O-N 3.13Å; N572-F576 HydrophobicContact CB-CD2 4.33Å; N572-F576 PolarHBondContact O-N 2.92Å; N572-E1008 PolarHBondContact N-OE1 2.78Å | ||
| 573 | P | 97.9 | Very high | 98.6 | Very high | 72 Ų | 72 | 26 Ų | 26 | 47% | 0.468 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -15.4 | -175.5 | 30.6 | -37.2 | 0 | 0 | 0 | 113.7 | R545 H571 | R545-P573 WeakPolarHBondContact CD-O 3.37Å; H571-P573 VanDerWaalsContact O-CD 3.24Å; H571-P573 WeakPolarHBondContact O-CD 3.47Å |
| 574 | E | 97.9 | Very high | 98.4 | Very high | 160 Ų | 160 | 27 Ų | 27 | 75% | 0.748 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -26.8 | 176.1 | -61.4 | -177.5 | 165.9 | 0 | 0 | 112.3 | N572 | N572-E574 PolarHBondContact O-N 3.21Å; N572-E574 VanDerWaalsContact O-N 3.16Å; N572-E574 WeakPolarHBondContact OD1-CB 3.31Å; N572-E574 PolarHBondContact OD1-N 2.85Å |
| 575 | K | 98.3 | Very high | 98.3 | Very high | 114 Ų | 114 | 30.9 Ų | 30.9 | 50% | 0.496 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | -22.3 | -176.8 | -67 | -169.9 | 178.8 | -171.5 | 0 | 113.5 | R545 L546 N572 | R545-K575 CarbonylContact C-O 3.54Å; R545-K575 VanDerWaalsContact CA-O 3.31Å; R545-K575 WeakPolarHBondContact CA-O 3.34Å; L546-K575 PolarHBondContact N-O 3Å; N572-K575 PolarHBondContact O-N 3.36Å; N572-K575 VanDerWaalsContact O-N 3.13Å |
| 576 | F | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.009 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 146.4 | -174 | -60.4 | -91.2 | 0 | 0 | 0 | 111.3 | L546 I548 H571 N572 E1008 Y1011 L1012 | L546-F576 HydrophobicContact CB-CD1 4.02Å; L546-F576 HydrophobicContact CB-CE1 4.21Å; L546-F576 HydrophobicContact CD2-CD1 4.38Å; L546-F576 HydrophobicContact CD2-CE1 3.94Å; L546-F576 WeakPolarHBondContact O-CA 3.47Å; I548-F576 HydrophobicContact CD1-CD1 4.4Å; I548-F576 HydrophobicContact CG1-CD1 4.01Å; H571-F576 HydrophobicContact CB-CB 4.33Å; N572-F576 HydrophobicContact CB-CD2 4.33Å; N572-F576 PolarHBondContact O-N 2.92Å; F576-E1008 HydrophobicContact CD1-CG 4.41Å; F576-E1008 HydrophobicContact CD2-CB 4.41Å; F576-E1008 HydrophobicContact CD2-CG 3.76Å; F576-E1008 VanDerWaalsContact CD2-OE1 3.28Å; F576-E1008 WeakPolarHBondContact CD2-OE1 3.4Å; F576-E1008 HydrophobicContact CE1-CB 4.18Å; F576-E1008 HydrophobicContact CE1-CG 4.04Å; F576-E1008 HydrophobicContact CE2-CB 3.53Å; F576-E1008 HydrophobicContact CE2-CG 3.37Å; F576-E1008 HydrophobicContact CG-CG 4.29Å; F576-E1008 HydrophobicContact CZ-CB 3.38Å; F576-E1008 HydrophobicContact CZ-CG 3.53Å; F576-Y1011 HydrophobicContact CE1-CD2 4.48Å; F576-L1012 HydrophobicContact CE1-CG 4.45Å; F576-L1012 HydrophobicContact CZ-CD1 4.07Å; F576-L1012 HydrophobicContact CZ-CD2 4.22Å; F576-L1012 HydrophobicContact CZ-CG 3.86Å |
| 577 | E | 98.8 | Very high | 98.1 | Very high | 15 Ų | 15 | 38.5 Ų | 38.5 | 7% | 0.07 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 122.6 | 170.7 | -178 | 176.3 | -149.6 | 0 | 0 | 108 | R545 L546 R547 I548 F579 H600 H601 | R545-E577 HydrophobicContact CB-CB 4.39Å; R545-E577 IonicContact CZ-OE1 3.59Å; R545-E577 IonicContact CZ-OE2 3.93Å; R545-E577 IonicContact NH2-OE1 3.85Å; R545-E577 PolarHBondContact NH2-OE1 3.3Å; R545-E577 IonicContact NH2-OE2 2.95Å; R545-E577 PolarHBondContact NH2-OE2 3.25Å; R545-E577 VanDerWaalsContact NH2-OE2 3.09Å; L546-E577 PolarHBondContact O-N 3.15Å; R547-E577 CarbonylContact C-O 3.59Å; R547-E577 VanDerWaalsContact CA-O 3.27Å; R547-E577 WeakPolarHBondContact CA-O 3.3Å; R547-E577 HydrophobicContact CG-CB 4.11Å; R547-E577 IonicContact CZ-OE2 3.09Å; R547-E577 IonicContact NE-OE2 3.05Å; R547-E577 PolarHBondContact NE-OE2 3.37Å; R547-E577 IonicContact NH2-OE2 3.46Å; I548-E577 PolarHBondContact N-O 2.85Å; E577-F579 HydrophobicContact CB-CE2 4.39Å; E577-F579 HydrophobicContact CG-CD2 4.5Å; E577-F579 HydrophobicContact CG-CE2 3.67Å; E577-F579 HydrophobicContact CG-CZ 4.2Å; E577-H600 HydrophobicContact CG-CB 4.32Å; E577-H601 IonicContact OE1-CD2 2.8Å; E577-H601 IonicContact OE1-CE1 2.76Å; E577-H601 IonicContact OE1-NE2 3.36Å; E577-H601 PolarHBondContact OE1-NE2 3.34Å |
| 578 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 127.4 | -164.4 | -178.7 | 0 | 0 | 0 | 0 | 111.1 | Y550 P568 H571 H600 H601 | Y550-V578 HydrophobicContact CD2-CG1 3.84Å; Y550-V578 HydrophobicContact CE2-CG1 3.81Å; P568-V578 HydrophobicContact CB-CG1 4.14Å; H571-V578 HydrophobicContact CB-CG2 3.63Å; H571-V578 WeakPolarHBondContact CD2-CG2 3.32Å; V578-H600 PolarHBondContact N-ND1 3.47Å; V578-H600 WeakPolarHBondContact O-CB 3.13Å; V578-H600 PolarHBondContact O-N 2.88Å; V578-H601 PolarHBondContact O-N 3.25Å |
| 579 | F | 98.9 | Very high | 98 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 130.7 | 176.4 | -64.2 | -106.9 | 0 | 0 | 0 | 109.3 | R547 I548 G549 Y550 E577 Y581 H601 D621 I623 | R547-F579 HydrophobicContact CB-CD2 4.32Å; R547-F579 HydrophobicContact CB-CE2 3.93Å; R547-F579 HydrophobicContact CG-CE2 3.86Å; I548-F579 PolarHBondContact O-N 3.08Å; G549-F579 CarbonylContact C-O 3.55Å; G549-F579 WeakPolarHBondContact CA-O 3.21Å; Y550-F579 PolarHBondContact N-O 3.2Å; E577-F579 HydrophobicContact CB-CE2 4.39Å; E577-F579 HydrophobicContact CG-CD2 4.5Å; E577-F579 HydrophobicContact CG-CE2 3.67Å; E577-F579 HydrophobicContact CG-CZ 4.2Å; F579-Y581 HydrophobicContact CB-CD2 4.5Å; F579-Y581 HydrophobicContact CB-CE2 3.73Å; F579-H601 CarbonylContact C-O 3.59Å; F579-H601 WeakPolarHBondContact CA-O 3.17Å; F579-H601 HydrophobicContact CD1-CB 3.4Å; F579-H601 AromaticContact CD1-CD2 3.78Å; F579-H601 AromaticContact CD1-CG 3.75Å; F579-H601 HydrophobicContact CE1-CB 3.65Å; F579-H601 AromaticContact CE1-CD2 3.27Å; F579-H601 WeakPolarHBondContact CE1-CD2 3.36Å; F579-H601 AromaticContact CE1-CG 3.43Å; F579-H601 VanDerWaalsContact CE1-CG 3.43Å; F579-H601 AromaticContact CE1-NE2 3.95Å; F579-H601 AromaticContact CE2-CD2 3.71Å; F579-H601 HydrophobicContact CG-CB 4.01Å; F579-H601 HydrophobicContact CZ-CB 4.45Å; F579-H601 AromaticContact CZ-CD2 3.23Å; F579-H601 WeakPolarHBondContact CZ-CD2 3.06Å; F579-H601 AromaticContact CZ-CG 3.91Å; F579-H601 AromaticContact CZ-NE2 3.68Å; F579-D621 HydrophobicContact CD1-CB 3.98Å; F579-D621 HydrophobicContact CE1-CB 3.7Å; F579-D621 HydrophobicContact CZ-CB 4.32Å; F579-I623 HydrophobicContact CB-CD1 3.84Å; F579-I623 HydrophobicContact CD1-CD1 4.11Å; F579-I623 HydrophobicContact CD2-CD1 3.4Å; F579-I623 HydrophobicContact CE2-CD1 3.93Å; F579-I623 HydrophobicContact CG-CD1 3.52Å; F579-I623 HydrophobicContact CZ-CD1 4.5Å |
| 580 | C | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 123.9 | 171.7 | -72.2 | 0 | 0 | 0 | 0 | 109.7 | F555 V595 A599 H601 F602 T603 | F555-C580 HydrophobicContact CE2-CB 3.95Å; F555-C580 HydrophobicContact CZ-CB 4.11Å; C580-V595 HydrophobicContact CB-CG1 4.03Å; C580-A599 HydrophobicContact CB-CB 4.19Å; C580-H601 PolarHBondContact N-O 3.38Å; C580-F602 HydrophobicContact CB-CD2 3.62Å; C580-F602 HydrophobicContact CB-CE2 3.91Å; C580-F602 WeakPolarHBondContact O-CA 3.32Å; C580-T603 PolarHBondContact O-N 3.31Å |
| 581 | Y | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 102.2 | 179.5 | -62.3 | -75.8 | 0 | 0 | 0 | 110.1 | Y550 V551 S552 F579 T603 L605 I618 D621 I623 L626 | Y550-Y581 PolarHBondContact O-N 3.38Å; V551-Y581 HydrophobicContact CG2-CD2 4.02Å; V551-Y581 HydrophobicContact CG2-CG 4.44Å; S552-Y581 PolarHBondContact N-O 2.89Å; F579-Y581 HydrophobicContact CB-CD2 4.5Å; F579-Y581 HydrophobicContact CB-CE2 3.73Å; Y581-T603 WeakPolarHBondContact CA-O 3.46Å; Y581-T603 HydrophobicContact CD1-CG2 4.2Å; Y581-T603 HydrophobicContact CE1-CG2 4.43Å; Y581-L605 HydrophobicContact CD1-CD1 3.94Å; Y581-L605 HydrophobicContact CD1-CD2 4.37Å; Y581-L605 HydrophobicContact CD1-CG 4.12Å; Y581-L605 HydrophobicContact CG-CD1 4.15Å; Y581-I618 HydrophobicContact CD1-CG1 4.05Å; Y581-I618 HydrophobicContact CD2-CG1 4.45Å; Y581-I618 HydrophobicContact CE1-CG1 3.85Å; Y581-I618 HydrophobicContact CE2-CG1 4.24Å; Y581-I618 HydrophobicContact CE2-CG2 4.42Å; Y581-I618 HydrophobicContact CG-CG1 4.36Å; Y581-D621 WeakPolarHBondContact CE1-OD2 3.32Å; Y581-D621 VanDerWaalsContact OH-CB 3.27Å; Y581-D621 WeakPolarHBondContact OH-CB 3.12Å; Y581-D621 PolarHBondContact OH-OD2 3.27Å; Y581-I623 HydrophobicContact CE2-CD1 4.21Å; Y581-I623 HydrophobicContact CE2-CG1 4.07Å; Y581-I623 WeakPolarHBondContact OH-CD1 3.34Å; Y581-I623 WeakPolarHBondContact OH-CG1 3.38Å; Y581-L626 HydrophobicContact CD2-CD1 4.28Å; Y581-L626 HydrophobicContact CE2-CD1 4.18Å |
| 582 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 126.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111 | S552 F555 F602 T603 L605 S606 | S552-A582 CarbonylContact O-C 3.58Å; S552-A582 WeakPolarHBondContact O-CA 3.48Å; F555-A582 HydrophobicContact CD2-CB 4.1Å; A582-F602 HydrophobicContact CB-CE1 3.83Å; A582-F602 HydrophobicContact CB-CZ 3.49Å; A582-F602 VanDerWaalsContact CB-CZ 3.49Å; A582-T603 PolarHBondContact N-O 2.91Å; A582-L605 WeakPolarHBondContact O-CA 3.44Å; A582-L605 WeakPolarHBondContact O-CB 3.32Å; A582-L605 PolarHBondContact O-N 3.31Å; A582-S606 PolarHBondContact O-N 3.3Å |
| 583 | L | 97.7 | Very high | 98 | Very high | 18 Ų | 18 | 41.1 Ų | 41.1 | 9% | 0.094 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -89.8 | -9.6 | 170.1 | -51.4 | -175.7 | 0 | 0 | 0 | 112.4 | V551 S552 L605 S606 R637 L640 | V551-L583 HydrophobicContact CG1-CD1 4Å; V551-L583 HydrophobicContact CG1-CD2 3.7Å; V551-L583 HydrophobicContact CG1-CG 3.91Å; S552-L583 PolarHBondContact O-N 2.91Å; L583-L605 HydrophobicContact CD2-CB 4.15Å; L583-L605 HydrophobicContact CD2-CD1 4.13Å; L583-S606 WeakPolarHBondContact O-CB 3.47Å; L583-R637 HydrophobicContact CD1-CB 3.99Å; L583-R637 HydrophobicContact CD1-CG 4.27Å; L583-L640 HydrophobicContact CD2-CD1 3.77Å |
| 584 | S | 95.5 | Very high | 98 | Very high | 26 Ų | 26 | 39.6 Ų | 39.6 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -113.1 | 147.9 | 178.7 | 54 | 0 | 0 | 0 | 0 | 111.9 | S553 R592 | S553-S584 VanDerWaalsContact C-OG 3.31Å; S553-S584 WeakPolarHBondContact O-CB 3.26Å; S553-S584 PolarHBondContact O-OG 3.4Å; S584-R592 PolarHBondContact O-NH1 3.3Å; S584-R592 PolarHBondContact O-NH2 2.93Å |
| 585 | P | 94.9 | Very high | 98.1 | Very high | 82 Ų | 82 | 32 Ų | 32 | 53% | 0.532 | 19% | 0.185 | S | C | . | . | trans | -62.7 | 160.9 | 171.9 | 29.5 | -35.4 | 0 | 0 | 0 | 110.7 | D587 | P585-D587 PolarHBondContact O-N 3.31Š| ||
| 586 | D | 97.4 | Very high | 98.1 | Very high | 93 Ų | 93 | 29.6 Ų | 29.6 | 50% | 0.497 | 18% | 0.18 | S | C | . | . | trans | -61.4 | 127.1 | 173.5 | -165.7 | -22.5 | 0 | 0 | 0 | 110.8 | G588 R592 | D586-G588 WeakPolarHBondContact OD1-CA 3.45Å; D586-G588 PolarHBondContact OD1-N 2.88Å; D586-R592 HydrophobicContact CB-CG 4.35Å; D586-R592 VanDerWaalsContact OD1-CG 3.31Å; D586-R592 WeakPolarHBondContact OD1-CG 3.45Å | ||
| 587 | D | 96.9 | Very high | 98.1 | Very high | 77 Ų | 77 | 33.2 Ų | 33.2 | 41% | 0.412 | 21% | 0.211 | S | C | . | . | trans | -94.9 | 1.6 | 179 | 69.3 | -2.1 | 0 | 0 | 0 | 113.3 | G556 N557 P585 T589 | G556-D587 WeakPolarHBondContact CA-OD2 3.49Å; N557-D587 PolarHBondContact N-OD2 3.46Å; P585-D587 PolarHBondContact O-N 3.31Å; D587-T589 VanDerWaalsContact C-N 3.29Å; D587-T589 HydrophobicContact CB-CG2 4.4Å; D587-T589 VanDerWaalsContact CG-CG2 3.46Å; D587-T589 PolarHBondContact O-N 3.47Å; D587-T589 VanDerWaalsContact OD1-CB 3.29Å; D587-T589 WeakPolarHBondContact OD1-CB 3.48Å; D587-T589 VanDerWaalsContact OD1-CG2 3.28Å; D587-T589 WeakPolarHBondContact OD1-CG2 3.48Å; D587-T589 PolarHBondContact OD1-N 3.23Å; D587-T589 PolarHBondContact OD1-OG1 3.36Å; D587-T589 WeakPolarHBondContact OD2-CG2 3.49Å; D587-T589 PolarHBondContact OD2-OG1 2.6Å | ||
| 588 | G | 97.6 | Very high | 98.1 | Very high | 55 Ų | 55 | 36.1 Ų | 36.1 | 57% | 0.567 | 22% | 0.224 | S | C | * | . | trans | 77.2 | 8.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | D586 | D586-G588 WeakPolarHBondContact OD1-CA 3.45Å; D586-G588 PolarHBondContact OD1-N 2.88Å | ||
| 589 | T | 98.3 | Very high | 98 | Very high | 14 Ų | 14 | 36.6 Ų | 36.6 | 9% | 0.086 | 23% | 0.228 | C | C | . | . | trans | -88.3 | 153.3 | -175 | 67.7 | 0 | 0 | 0 | 0 | 112.2 | N557 D587 F591 R592 V593 E812 | N557-T589 HydrophobicContact CB-CG2 3.81Å; N557-T589 PolarHBondContact N-OG1 3.17Å; D587-T589 VanDerWaalsContact C-N 3.29Å; D587-T589 HydrophobicContact CB-CG2 4.4Å; D587-T589 VanDerWaalsContact CG-CG2 3.46Å; D587-T589 PolarHBondContact O-N 3.47Å; D587-T589 VanDerWaalsContact OD1-CB 3.29Å; D587-T589 WeakPolarHBondContact OD1-CB 3.48Å; D587-T589 VanDerWaalsContact OD1-CG2 3.28Å; D587-T589 WeakPolarHBondContact OD1-CG2 3.48Å; D587-T589 PolarHBondContact OD1-N 3.23Å; D587-T589 PolarHBondContact OD1-OG1 3.36Å; D587-T589 WeakPolarHBondContact OD2-CG2 3.49Å; D587-T589 PolarHBondContact OD2-OG1 2.6Å; T589-F591 PolarHBondContact O-N 2.9Å; T589-F591 VanDerWaalsContact O-N 3.14Å; T589-R592 PolarHBondContact O-N 2.99Å; T589-R592 VanDerWaalsContact O-N 3.14Å; T589-V593 WeakPolarHBondContact O-CG2 3.42Å; T589-V593 PolarHBondContact O-N 3.5Å; T589-V593 VanDerWaalsContact O-N 3.15Å; T589-E812 WeakPolarHBondContact CA-OE2 3.45Å | ||
| 590 | N | 98.4 | Very high | 98 | Very high | 46 Ų | 46 | 39.7 Ų | 39.7 | 25% | 0.246 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.6 | -23.8 | 177 | -69.9 | -1.6 | 0 | 0 | 0 | 112.6 | V593 K594 K807 E812 | N590-V593 PolarHBondContact O-N 2.7Å; N590-K594 WeakPolarHBondContact O-CB 3.48Å; N590-K594 PolarHBondContact O-N 3.41Å; N590-K807 PolarHBondContact OD1-NZ 3.16Å; N590-E812 HydrophobicContact CB-CB 3.74Å; N590-E812 HydrophobicContact CB-CG 3.96Å; N590-E812 PolarHBondContact N-OE2 3.05Å; N590-E812 PolarHBondContact ND2-O 3.5Å |
| 591 | F | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.3 | -48.9 | 174.4 | -57.1 | -64.8 | 0 | 0 | 0 | 111.3 | G556 N557 H562 Q565 T589 V595 M701 E812 | G556-F591 VanDerWaalsContact O-CB 3.24Å; G556-F591 WeakPolarHBondContact O-CB 3.4Å; N557-F591 HydrophobicContact CB-CD2 3.85Å; N557-F591 HydrophobicContact CB-CE2 4.02Å; H562-F591 AromaticContact CD2-CE1 3.63Å; H562-F591 AromaticContact CD2-CZ 3.6Å; H562-F591 AromaticContact NE2-CE2 3.66Å; H562-F591 AromaticContact NE2-CZ 3.59Å; Q565-F591 VanDerWaalsContact OE1-CD1 3.29Å; T589-F591 PolarHBondContact O-N 2.9Å; T589-F591 VanDerWaalsContact O-N 3.14Å; F591-V595 WeakPolarHBondContact O-CG2 3.14Å; F591-V595 PolarHBondContact O-N 3.21Å; F591-M701 HydrophobicContact CE1-CE 3.53Å; F591-M701 HydrophobicContact CE1-SD 4.17Å; F591-M701 HydrophobicContact CZ-CE 3.76Å; F591-E812 HydrophobicContact CD2-CG 3.95Å; F591-E812 HydrophobicContact CE2-CG 3.53Å; F591-E812 HydrophobicContact CZ-CG 3.98Å |
| 592 | R | 98.4 | Very high | 98 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.015 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.4 | -45.9 | 175.5 | 179.2 | 54.7 | 164.8 | -105.2 | -1.9 | 110.8 | F555 S584 D586 T589 K594 V595 V596 F602 D604 | F555-R592 WeakPolarHBondContact O-CD 3.11Å; F555-R592 PolarHBondContact O-NH1 3.43Å; S584-R592 PolarHBondContact O-NH1 3.3Å; S584-R592 PolarHBondContact O-NH2 2.93Å; D586-R592 HydrophobicContact CB-CG 4.35Å; D586-R592 VanDerWaalsContact OD1-CG 3.31Å; D586-R592 WeakPolarHBondContact OD1-CG 3.45Å; T589-R592 PolarHBondContact O-N 2.99Å; T589-R592 VanDerWaalsContact O-N 3.14Å; R592-K594 VanDerWaalsContact C-N 3.34Å; R592-K594 PolarHBondContact O-N 2.97Å; R592-V595 PolarHBondContact O-N 3.18Å; R592-V596 HydrophobicContact CG-CG2 4.38Å; R592-V596 VanDerWaalsContact O-CG2 3.24Å; R592-V596 WeakPolarHBondContact O-CG2 3.45Å; R592-V596 PolarHBondContact O-N 3.37Å; R592-F602 VanDerWaalsContact CZ-CZ 3.41Å; R592-D604 IonicContact NH2-OD2 2.69Å; R592-D604 PolarHBondContact NH2-OD2 2.87Å |
| 593 | V | 98.6 | Very high | 98 | Very high | 80 Ų | 80 | 46 Ų | 46 | 49% | 0.485 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -55.9 | -46.4 | 178 | 174.7 | 0 | 0 | 0 | 0 | 111.7 | T589 N590 V596 A597 | T589-V593 WeakPolarHBondContact O-CG2 3.42Å; T589-V593 PolarHBondContact O-N 3.5Å; T589-V593 VanDerWaalsContact O-N 3.15Å; N590-V593 PolarHBondContact O-N 2.7Å; V593-V596 PolarHBondContact O-N 3.03Å; V593-A597 VanDerWaalsContact O-CB 3.3Å; V593-A597 WeakPolarHBondContact O-CB 3.47Å; V593-A597 PolarHBondContact O-N 3.4Å |
| 594 | K | 98.6 | Very high | 98 | Very high | 39 Ų | 39 | 47.2 Ų | 47.2 | 17% | 0.17 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.8 | -49.2 | 179.6 | -178.6 | -179.5 | 164.7 | 68.3 | 0 | 111.6 | Q565 S566 N590 R592 V596 A597 E598 | Q565-K594 HydrophobicContact CB-CD 4.28Å; Q565-K594 HydrophobicContact CG-CD 4.02Å; Q565-K594 WeakPolarHBondContact O-CE 3.37Å; S566-K594 WeakPolarHBondContact OG-CE 3.38Å; S566-K594 PolarHBondContact OG-NZ 3.47Å; N590-K594 WeakPolarHBondContact O-CB 3.48Å; N590-K594 PolarHBondContact O-N 3.41Å; R592-K594 VanDerWaalsContact C-N 3.34Å; R592-K594 PolarHBondContact O-N 2.97Å; K594-V596 VanDerWaalsContact C-N 3.32Å; K594-V596 PolarHBondContact O-N 3.28Å; K594-A597 PolarHBondContact O-N 2.95Å; K594-E598 WeakPolarHBondContact CE-OE2 3.5Å; K594-E598 HydrophobicContact CG-CG 4.33Å; K594-E598 IonicContact NZ-OE1 2.81Å; K594-E598 PolarHBondContact NZ-OE1 2.87Å; K594-E598 IonicContact NZ-OE2 4Å; K594-E598 PolarHBondContact NZ-OE2 3.44Å; K594-E598 VanDerWaalsContact O-CB 3.32Å; K594-E598 WeakPolarHBondContact O-CB 3.34Å; K594-E598 WeakPolarHBondContact O-CG 3.42Å; K594-E598 PolarHBondContact O-N 3.38Å |
| 595 | V | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.1 | -39.4 | -179.7 | 177.6 | 0 | 0 | 0 | 0 | 111.4 | F555 Q565 P568 C580 F591 R592 A599 F602 | F555-V595 HydrophobicContact CD1-CG1 4.02Å; F555-V595 HydrophobicContact CD1-CG2 4.37Å; F555-V595 HydrophobicContact CE1-CG1 4.24Å; F555-V595 HydrophobicContact CG-CG1 4.33Å; Q565-V595 HydrophobicContact CB-CG2 4.15Å; P568-V595 HydrophobicContact CG-CG1 4.41Å; C580-V595 HydrophobicContact CB-CG1 4.03Å; F591-V595 WeakPolarHBondContact O-CG2 3.14Å; F591-V595 PolarHBondContact O-N 3.21Å; R592-V595 PolarHBondContact O-N 3.18Å; V595-A599 VanDerWaalsContact O-CB 3.22Å; V595-A599 WeakPolarHBondContact O-CB 3.35Å; V595-A599 PolarHBondContact O-N 3.24Å; V595-F602 HydrophobicContact CG1-CD2 4.13Å; V595-F602 HydrophobicContact CG1-CE2 3.9Å |
| 596 | V | 98.6 | Very high | 97.9 | Very high | 64 Ų | 64 | 43.6 Ų | 43.6 | 39% | 0.388 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 174.8 | 172 | 0 | 0 | 0 | 0 | 111.4 | R592 V593 K594 F602 | R592-V596 HydrophobicContact CG-CG2 4.38Å; R592-V596 VanDerWaalsContact O-CG2 3.24Å; R592-V596 WeakPolarHBondContact O-CG2 3.45Å; R592-V596 PolarHBondContact O-N 3.37Å; V593-V596 PolarHBondContact O-N 3.03Å; K594-V596 VanDerWaalsContact C-N 3.32Å; K594-V596 PolarHBondContact O-N 3.28Å; V596-F602 HydrophobicContact CB-CD2 4.29Å; V596-F602 HydrophobicContact CB-CG 4.29Å; V596-F602 HydrophobicContact CG1-CB 4.47Å; V596-F602 HydrophobicContact CG2-CB 4.42Å; V596-F602 HydrophobicContact CG2-CD1 3.79Å; V596-F602 HydrophobicContact CG2-CD2 3.65Å; V596-F602 HydrophobicContact CG2-CE1 3.92Å; V596-F602 HydrophobicContact CG2-CE2 3.78Å; V596-F602 HydrophobicContact CG2-CG 3.67Å; V596-F602 HydrophobicContact CG2-CZ 3.93Å |
| 597 | A | 98.5 | Very high | 97.7 | Very high | 79 Ų | 79 | 45.8 Ų | 45.8 | 65% | 0.653 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -74.5 | -30.6 | -177 | 0 | 0 | 0 | 0 | 0 | 113.5 | V593 K594 | V593-A597 VanDerWaalsContact O-CB 3.3Å; V593-A597 WeakPolarHBondContact O-CB 3.47Å; V593-A597 PolarHBondContact O-N 3.4Å; K594-A597 PolarHBondContact O-N 2.95Å |
| 598 | E | 98.4 | Very high | 97.3 | Very high | 75 Ų | 75 | 44.4 Ų | 44.4 | 35% | 0.35 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -101.4 | -23.1 | -171.7 | -71.7 | -175.8 | -170.9 | 0 | 0 | 114.4 | K594 | K594-E598 WeakPolarHBondContact CE-OE2 3.5Å; K594-E598 HydrophobicContact CG-CG 4.33Å; K594-E598 IonicContact NZ-OE1 2.81Å; K594-E598 PolarHBondContact NZ-OE1 2.87Å; K594-E598 IonicContact NZ-OE2 4Å; K594-E598 PolarHBondContact NZ-OE2 3.44Å; K594-E598 VanDerWaalsContact O-CB 3.32Å; K594-E598 WeakPolarHBondContact O-CB 3.34Å; K594-E598 WeakPolarHBondContact O-CG 3.42Å; K594-E598 PolarHBondContact O-N 3.38Å |
| 599 | A | 98.3 | Very high | 96.4 | Very high | 10 Ų | 10 | 46.8 Ų | 46.8 | 8% | 0.083 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -68.7 | 145.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | P568 C580 V595 H601 | P568-A599 HydrophobicContact CB-CB 4.3Å; C580-A599 HydrophobicContact CB-CB 4.19Å; V595-A599 VanDerWaalsContact O-CB 3.22Å; V595-A599 WeakPolarHBondContact O-CB 3.35Å; V595-A599 PolarHBondContact O-N 3.24Å; A599-H601 PolarHBondContact O-N 3.07Å |
| 600 | H | 98.6 | Very high | 95.7 | Very high | 71 Ų | 71 | 48.8 Ų | 48.8 | 33% | 0.329 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -62.8 | -37.2 | 173.8 | -62.9 | 89.2 | 0 | 0 | 0 | 110.9 | E577 V578 | E577-H600 HydrophobicContact CG-CB 4.32Å; V578-H600 PolarHBondContact N-ND1 3.47Å; V578-H600 WeakPolarHBondContact O-CB 3.13Å; V578-H600 PolarHBondContact O-N 2.88Å |
| 601 | H | 98.8 | Very high | 95.1 | Very high | 72 Ų | 72 | 48.4 Ų | 48.4 | 33% | 0.333 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 137.3 | 177.4 | -56.7 | -81.8 | 0 | 0 | 0 | 110.5 | E577 V578 F579 C580 A599 | E577-H601 IonicContact OE1-CD2 2.8Å; E577-H601 IonicContact OE1-CE1 2.76Å; E577-H601 IonicContact OE1-NE2 3.36Å; E577-H601 PolarHBondContact OE1-NE2 3.34Å; V578-H601 PolarHBondContact O-N 3.25Å; F579-H601 CarbonylContact C-O 3.59Å; F579-H601 WeakPolarHBondContact CA-O 3.17Å; F579-H601 HydrophobicContact CD1-CB 3.4Å; F579-H601 AromaticContact CD1-CD2 3.78Å; F579-H601 AromaticContact CD1-CG 3.75Å; F579-H601 HydrophobicContact CE1-CB 3.65Å; F579-H601 AromaticContact CE1-CD2 3.27Å; F579-H601 WeakPolarHBondContact CE1-CD2 3.36Å; F579-H601 AromaticContact CE1-CG 3.43Å; F579-H601 VanDerWaalsContact CE1-CG 3.43Å; F579-H601 AromaticContact CE1-NE2 3.95Å; F579-H601 AromaticContact CE2-CD2 3.71Å; F579-H601 HydrophobicContact CG-CB 4.01Å; F579-H601 HydrophobicContact CZ-CB 4.45Å; F579-H601 AromaticContact CZ-CD2 3.23Å; F579-H601 WeakPolarHBondContact CZ-CD2 3.06Å; F579-H601 AromaticContact CZ-CG 3.91Å; F579-H601 AromaticContact CZ-NE2 3.68Å; C580-H601 PolarHBondContact N-O 3.38Å; A599-H601 PolarHBondContact O-N 3.07Å |
| 602 | F | 98.8 | Very high | 94.6 | Very high | 49 Ų | 49 | 48.6 Ų | 48.6 | 22% | 0.215 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 128.4 | 174.4 | -167.7 | -80.3 | 0 | 0 | 0 | 110.1 | F555 C580 A582 R592 V595 V596 | F555-F602 HydrophobicContact CD2-CE2 4.19Å; F555-F602 HydrophobicContact CD2-CZ 4.38Å; C580-F602 HydrophobicContact CB-CD2 3.62Å; C580-F602 HydrophobicContact CB-CE2 3.91Å; C580-F602 WeakPolarHBondContact O-CA 3.32Å; A582-F602 HydrophobicContact CB-CE1 3.83Å; A582-F602 HydrophobicContact CB-CZ 3.49Å; A582-F602 VanDerWaalsContact CB-CZ 3.49Å; R592-F602 VanDerWaalsContact CZ-CZ 3.41Å; V595-F602 HydrophobicContact CG1-CD2 4.13Å; V595-F602 HydrophobicContact CG1-CE2 3.9Å; V596-F602 HydrophobicContact CB-CD2 4.29Å; V596-F602 HydrophobicContact CB-CG 4.29Å; V596-F602 HydrophobicContact CG1-CB 4.47Å; V596-F602 HydrophobicContact CG2-CB 4.42Å; V596-F602 HydrophobicContact CG2-CD1 3.79Å; V596-F602 HydrophobicContact CG2-CD2 3.65Å; V596-F602 HydrophobicContact CG2-CE1 3.92Å; V596-F602 HydrophobicContact CG2-CE2 3.78Å; V596-F602 HydrophobicContact CG2-CG 3.67Å; V596-F602 HydrophobicContact CG2-CZ 3.93Å |
| 603 | T | 98.7 | Very high | 94.1 | Very high | 11 Ų | 11 | 55.1 Ų | 55.1 | 7% | 0.067 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 124.3 | 179.9 | -60.4 | 0 | 0 | 0 | 0 | 110.4 | C580 Y581 A582 L605 R617 | C580-T603 PolarHBondContact O-N 3.31Å; Y581-T603 WeakPolarHBondContact CA-O 3.46Å; Y581-T603 HydrophobicContact CD1-CG2 4.2Å; Y581-T603 HydrophobicContact CE1-CG2 4.43Å; A582-T603 PolarHBondContact N-O 2.91Å; T603-L605 HydrophobicContact CG2-CD2 3.78Å; T603-L605 HydrophobicContact CG2-CG 4.35Å; T603-L605 PolarHBondContact O-N 3.32Å; T603-R617 HydrophobicContact CG2-CG 4.26Å; T603-R617 PolarHBondContact OG1-NH2 2.93Å |
| 604 | D | 98.1 | Very high | 93.9 | Very high | 44 Ų | 44 | 51.3 Ų | 51.3 | 24% | 0.235 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 97.8 | 174.2 | -169.1 | -14.2 | 0 | 0 | 0 | 110.7 | R592 S606 Q607 | R592-D604 IonicContact NH2-OD2 2.69Å; R592-D604 PolarHBondContact NH2-OD2 2.87Å; D604-S606 VanDerWaalsContact C-N 3.29Å; D604-S606 VanDerWaalsContact CG-OG 3.3Å; D604-S606 WeakPolarHBondContact OD1-CB 3.44Å; D604-S606 PolarHBondContact OD1-N 3.48Å; D604-S606 PolarHBondContact OD1-OG 3.21Å; D604-S606 PolarHBondContact OD2-OG 3.26Å; D604-Q607 HydrophobicContact CB-CG 4.49Å |
| 605 | L | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -79.4 | -8.2 | 176.6 | -62 | -176.7 | 0 | 0 | 0 | 113 | Y581 A582 L583 T603 Q607 I608 A614 I618 R637 L640 | Y581-L605 HydrophobicContact CD1-CD1 3.94Å; Y581-L605 HydrophobicContact CD1-CD2 4.37Å; Y581-L605 HydrophobicContact CD1-CG 4.12Å; Y581-L605 HydrophobicContact CG-CD1 4.15Å; A582-L605 WeakPolarHBondContact O-CA 3.44Å; A582-L605 WeakPolarHBondContact O-CB 3.32Å; A582-L605 PolarHBondContact O-N 3.31Å; L583-L605 HydrophobicContact CD2-CB 4.15Å; L583-L605 HydrophobicContact CD2-CD1 4.13Å; T603-L605 HydrophobicContact CG2-CD2 3.78Å; T603-L605 HydrophobicContact CG2-CG 4.35Å; T603-L605 PolarHBondContact O-N 3.32Å; L605-Q607 PolarHBondContact O-N 2.99Å; L605-I608 HydrophobicContact CD2-CD1 4.08Å; L605-I608 CarbonylContact O-C 3.57Å; L605-I608 PolarHBondContact O-N 3.27Å; L605-I608 VanDerWaalsContact O-O 3.14Å; L605-A614 HydrophobicContact CD1-CB 4.42Å; L605-A614 HydrophobicContact CD2-CB 4.19Å; L605-I618 HydrophobicContact CD1-CD1 4.07Å; L605-I618 HydrophobicContact CD1-CG1 4.35Å; L605-R637 PolarHBondContact O-NH1 3.05Å; L605-L640 HydrophobicContact CD1-CD1 4.01Å |
| 606 | S | 92.2 | Very high | 93.7 | Very high | 33 Ų | 33 | 51.5 Ų | 51.5 | 23% | 0.231 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -62.3 | -28.3 | 172.1 | 76.8 | 0 | 0 | 0 | 0 | 111.4 | A582 L583 D604 I608 | A582-S606 PolarHBondContact O-N 3.3Å; L583-S606 WeakPolarHBondContact O-CB 3.47Å; D604-S606 VanDerWaalsContact C-N 3.29Å; D604-S606 VanDerWaalsContact CG-OG 3.3Å; D604-S606 WeakPolarHBondContact OD1-CB 3.44Å; D604-S606 PolarHBondContact OD1-N 3.48Å; D604-S606 PolarHBondContact OD1-OG 3.21Å; D604-S606 PolarHBondContact OD2-OG 3.26Å; S606-I608 VanDerWaalsContact C-N 3.25Å; S606-I608 PolarHBondContact O-N 2.93Å |
| 607 | Q | 91.6 | Very high | 93.7 | Very high | 139 Ų | 139 | 52.2 Ų | 52.2 | 65% | 0.65 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -77.7 | -7.9 | 174.1 | -56 | -55.6 | -48.2 | 0 | 0 | 113.3 | D604 L605 P609 | D604-Q607 HydrophobicContact CB-CG 4.49Å; L605-Q607 PolarHBondContact O-N 2.99Å; Q607-P609 VanDerWaalsContact C-CD 3.49Å; Q607-P609 WeakPolarHBondContact O-CD 3.48Å |
| 608 | I | 89.4 | Confident | 93.7 | Very high | 47 Ų | 47 | 48.4 Ų | 48.4 | 24% | 0.241 | 25% | 0.247 | C | C | . | . | trans | -120 | 77.2 | 178.7 | -48.1 | 179.2 | 0 | 0 | 0 | 108.5 | L605 S606 C610 K613 A614 R637 | L605-I608 HydrophobicContact CD2-CD1 4.08Å; L605-I608 CarbonylContact O-C 3.57Å; L605-I608 PolarHBondContact O-N 3.27Å; L605-I608 VanDerWaalsContact O-O 3.14Å; S606-I608 VanDerWaalsContact C-N 3.25Å; S606-I608 PolarHBondContact O-N 2.93Å; I608-C610 VanDerWaalsContact C-N 3.27Å; I608-C610 PolarHBondContact O-N 3.45Å; I608-K613 HydrophobicContact CG2-CB 3.76Å; I608-A614 HydrophobicContact CB-CB 4.37Å; I608-A614 HydrophobicContact CG2-CB 4.03Å; I608-R637 PolarHBondContact O-NH1 3.35Å; I608-R637 VanDerWaalsContact O-NH1 3.13Å; I608-R637 PolarHBondContact O-NH2 3.46Å | ||
| 609 | P | 78.6 | Confident | 93.7 | Very high | 105 Ų | 105 | 47.4 Ų | 47.4 | 68% | 0.682 | 24% | 0.242 | S | C | * | . | trans | -66.9 | -28.7 | -174.2 | 25.4 | -34.5 | 0 | 0 | 0 | 112.6 | Q607 N611 R637 | Q607-P609 VanDerWaalsContact C-CD 3.49Å; Q607-P609 WeakPolarHBondContact O-CD 3.48Å; P609-N611 PolarHBondContact O-N 2.87Å; P609-N611 VanDerWaalsContact O-N 3.16Å; P609-R637 PolarHBondContact O-NH2 3.1Å | ||
| 610 | C | 83.4 | Confident | 93.7 | Very high | 57 Ų | 57 | 53.7 Ų | 53.7 | 39% | 0.385 | 27% | 0.269 | S | S | . | . | trans | -68.2 | 112.9 | 175.6 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | I608 G612 K613 A614 | I608-C610 VanDerWaalsContact C-N 3.27Å; I608-C610 PolarHBondContact O-N 3.45Å; C610-G612 VanDerWaalsContact C-N 3.29Å; C610-G612 PolarHBondContact O-N 3.01Å; C610-K613 HydrophobicContact CB-CB 4.24Å; C610-K613 HydrophobicContact CB-CD 4.32Å; C610-K613 HydrophobicContact CB-CG 4.26Å; C610-K613 PolarHBondContact O-N 3.45Å; C610-A614 PolarHBondContact O-N 3.26Å | ||
| 611 | N | 87 | Confident | 93.7 | Very high | 38 Ų | 38 | 51.4 Ų | 51.4 | 20% | 0.203 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.1 | -39.3 | 179.5 | -67.7 | -29.2 | 0 | 0 | 0 | 112.9 | P609 K613 A614 A615 R637 E639 L640 | P609-N611 PolarHBondContact O-N 2.87Å; P609-N611 VanDerWaalsContact O-N 3.16Å; N611-K613 PolarHBondContact O-N 3.11Å; N611-A614 PolarHBondContact O-N 3.42Å; N611-A615 WeakPolarHBondContact O-CB 3.4Å; N611-A615 PolarHBondContact O-N 3.45Å; N611-R637 VanDerWaalsContact OD1-CZ 3.31Å; N611-R637 PolarHBondContact OD1-NE 3.11Å; N611-R637 PolarHBondContact OD1-NH2 3.33Å; N611-E639 HydrophobicContact CB-CB 4.11Å; N611-E639 WeakPolarHBondContact ND2-CB 3.45Å; N611-L640 HydrophobicContact CB-CD2 4.14Å; N611-L640 WeakPolarHBondContact O-CD2 3.34Å |
| 612 | G | 86.3 | Confident | 93.7 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | K530 C610 D616 | K530-G612 PolarHBondContact NZ-O 2.61Å; C610-G612 VanDerWaalsContact C-N 3.29Å; C610-G612 PolarHBondContact O-N 3.01Å; G612-D616 PolarHBondContact O-N 3.34Å |
| 613 | K | 88.3 | Confident | 93.7 | Very high | 142 Ų | 142 | 46.4 Ų | 46.4 | 62% | 0.617 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -71.8 | -36.8 | 177.6 | -69.6 | -175.6 | 178.5 | -178.3 | 0 | 112.2 | I608 C610 N611 D616 R617 | I608-K613 HydrophobicContact CG2-CB 3.76Å; C610-K613 HydrophobicContact CB-CB 4.24Å; C610-K613 HydrophobicContact CB-CD 4.32Å; C610-K613 HydrophobicContact CB-CG 4.26Å; C610-K613 PolarHBondContact O-N 3.45Å; N611-K613 PolarHBondContact O-N 3.11Å; K613-D616 PolarHBondContact O-N 3.07Å; K613-R617 PolarHBondContact O-N 3.47Å |
| 614 | A | 94.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.2 | -40.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L605 I608 C610 N611 R617 I618 L640 | L605-A614 HydrophobicContact CD1-CB 4.42Å; L605-A614 HydrophobicContact CD2-CB 4.19Å; I608-A614 HydrophobicContact CB-CB 4.37Å; I608-A614 HydrophobicContact CG2-CB 4.03Å; C610-A614 PolarHBondContact O-N 3.26Å; N611-A614 PolarHBondContact O-N 3.42Å; A614-R617 PolarHBondContact O-N 3.48Å; A614-I618 WeakPolarHBondContact O-CG1 3.25Å; A614-I618 PolarHBondContact O-N 3.47Å; A614-I618 VanDerWaalsContact O-N 3.15Å; A614-L640 HydrophobicContact CB-CD2 3.56Å |
| 615 | A | 97.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.5 | -41.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | F533 N611 R617 I618 H619 L643 P645 | F533-A615 HydrophobicContact CE2-CB 4.3Å; F533-A615 HydrophobicContact CZ-CB 4.28Å; N611-A615 WeakPolarHBondContact O-CB 3.4Å; N611-A615 PolarHBondContact O-N 3.45Å; A615-R617 VanDerWaalsContact C-N 3.26Å; A615-R617 PolarHBondContact O-N 2.96Å; A615-I618 PolarHBondContact O-N 3.02Å; A615-H619 WeakPolarHBondContact O-CB 3.38Å; A615-H619 PolarHBondContact O-N 3.45Å; A615-L643 HydrophobicContact CB-CB 3.99Å; A615-L643 HydrophobicContact CB-CD1 3.56Å; A615-L643 HydrophobicContact CB-CG 4.4Å; A615-P645 HydrophobicContact CB-CB 4.42Å; A615-P645 HydrophobicContact CB-CG 4.47Å; A615-P645 WeakPolarHBondContact O-CB 3.48Å |
| 616 | D | 96.9 | Very high | 93.9 | Very high | 43 Ų | 43 | 43.8 Ų | 43.8 | 23% | 0.23 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58 | -40.4 | 173.8 | -65.7 | -29.7 | 0 | 0 | 0 | 111.5 | K530 F533 G612 K613 H619 Q620 | K530-D616 WeakPolarHBondContact CE-OD1 3.29Å; K530-D616 IonicContact NZ-OD1 2.65Å; K530-D616 PolarHBondContact NZ-OD1 2.83Å; K530-D616 IonicContact NZ-OD2 3.96Å; K530-D616 PolarHBondContact NZ-OD2 3.3Å; F533-D616 WeakPolarHBondContact CZ-OD1 3.45Å; G612-D616 PolarHBondContact O-N 3.34Å; K613-D616 PolarHBondContact O-N 3.07Å; D616-H619 PolarHBondContact O-N 3.27Å; D616-Q620 WeakPolarHBondContact O-CB 3.35Å; D616-Q620 WeakPolarHBondContact O-CG 3.26Å; D616-Q620 PolarHBondContact O-N 3.48Å |
| 617 | R | 98.4 | Very high | 94.2 | Very high | 78 Ų | 78 | 42.2 Ų | 42.2 | 29% | 0.294 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63 | -46.2 | 177.3 | 174.5 | 58.7 | -157.3 | -83.7 | -5.1 | 112 | T603 K613 A614 A615 H619 Q620 D621 | T603-R617 HydrophobicContact CG2-CG 4.26Å; T603-R617 PolarHBondContact OG1-NH2 2.93Å; K613-R617 PolarHBondContact O-N 3.47Å; A614-R617 PolarHBondContact O-N 3.48Å; A615-R617 VanDerWaalsContact C-N 3.26Å; A615-R617 PolarHBondContact O-N 2.96Å; R617-H619 VanDerWaalsContact C-N 3.28Å; R617-H619 PolarHBondContact O-N 2.92Å; R617-Q620 PolarHBondContact O-N 3.25Å; R617-D621 IonicContact CZ-OD1 3.95Å; R617-D621 IonicContact CZ-OD2 2.76Å; R617-D621 IonicContact NE-OD1 2.72Å; R617-D621 PolarHBondContact NE-OD1 3.29Å; R617-D621 IonicContact NE-OD2 3.46Å; R617-D621 PolarHBondContact NE-OD2 3.43Å; R617-D621 IonicContact NH2-OD1 2.87Å; R617-D621 PolarHBondContact NH2-OD1 3.49Å; R617-D621 IonicContact NH2-OD2 3.73Å; R617-D621 PolarHBondContact NH2-OD2 2.89Å; R617-D621 PolarHBondContact O-N 3.49Å; R617-D621 VanDerWaalsContact O-N 3.16Å |
| 618 | I | 98.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.5 | -42.8 | 175.7 | -65.2 | 168 | 0 | 0 | 0 | 110.3 | Y581 L605 A614 A615 D621 I623 L626 L640 P645 | Y581-I618 HydrophobicContact CD1-CG1 4.05Å; Y581-I618 HydrophobicContact CD2-CG1 4.45Å; Y581-I618 HydrophobicContact CE1-CG1 3.85Å; Y581-I618 HydrophobicContact CE2-CG1 4.24Å; Y581-I618 HydrophobicContact CE2-CG2 4.42Å; Y581-I618 HydrophobicContact CG-CG1 4.36Å; L605-I618 HydrophobicContact CD1-CD1 4.07Å; L605-I618 HydrophobicContact CD1-CG1 4.35Å; A614-I618 WeakPolarHBondContact O-CG1 3.25Å; A614-I618 PolarHBondContact O-N 3.47Å; A614-I618 VanDerWaalsContact O-N 3.15Å; A615-I618 PolarHBondContact O-N 3.02Å; I618-D621 PolarHBondContact O-N 3.26Å; I618-I623 HydrophobicContact CG2-CB 4.28Å; I618-I623 HydrophobicContact CG2-CG1 3.93Å; I618-L626 HydrophobicContact CD1-CD2 4.4Å; I618-L626 HydrophobicContact CG2-CD1 3.73Å; I618-L626 HydrophobicContact CG2-CD2 4.14Å; I618-L640 HydrophobicContact CD1-CD1 4.45Å; I618-P645 HydrophobicContact CB-CB 4.13Å; I618-P645 HydrophobicContact CB-CG 4.15Å; I618-P645 HydrophobicContact CD1-CG 4.46Å; I618-P645 HydrophobicContact CG2-CB 3.97Å; I618-P645 HydrophobicContact CG2-CG 3.82Å |
| 619 | H | 98.5 | Very high | 95 | Very high | 53 Ų | 53 | 33.4 Ų | 33.4 | 25% | 0.245 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.7 | -42.7 | 179 | -177.7 | 63 | 0 | 0 | 0 | 112.6 | F533 E534 A615 D616 R617 D621 G622 P645 | F533-H619 HydrophobicContact CD1-CB 3.76Å; F533-H619 AromaticContact CD1-CD2 3.32Å; F533-H619 WeakPolarHBondContact CD1-CD2 3.34Å; F533-H619 AromaticContact CD1-CE1 3.88Å; F533-H619 AromaticContact CD1-CG 3.25Å; F533-H619 AromaticContact CD1-ND1 3.62Å; F533-H619 AromaticContact CD1-NE2 3.72Å; F533-H619 HydrophobicContact CE1-CB 3.69Å; F533-H619 AromaticContact CE1-CD2 3.77Å; F533-H619 AromaticContact CE1-CG 3.67Å; F533-H619 HydrophobicContact CG-CB 4.36Å; F533-H619 AromaticContact CG-CG 3.88Å; F533-H619 AromaticContact CG-ND1 3.83Å; F533-H619 HydrophobicContact CZ-CB 4.23Å; E534-H619 PolarHBondContact O-CE1 3.42Å; E534-H619 VanDerWaalsContact O-CE1 3.22Å; A615-H619 WeakPolarHBondContact O-CB 3.38Å; A615-H619 PolarHBondContact O-N 3.45Å; D616-H619 PolarHBondContact O-N 3.27Å; R617-H619 VanDerWaalsContact C-N 3.28Å; R617-H619 PolarHBondContact O-N 2.92Å; H619-D621 VanDerWaalsContact C-N 3.27Å; H619-D621 PolarHBondContact O-N 3.32Å; H619-G622 WeakPolarHBondContact O-CA 3.41Å; H619-G622 PolarHBondContact O-N 2.64Å; H619-P645 HydrophobicContact CB-CB 4.08Å; H619-P645 PolarHBondContact ND1-O 3.36Å |
| 620 | Q | 98.3 | Very high | 95.9 | Very high | 143 Ų | 143 | 28.5 Ų | 28.5 | 67% | 0.668 | 14% | 0.141 | S | C | * | . | H | α-helix | trans | -61.5 | -33.7 | 176.8 | -74.5 | 164.2 | 15.3 | 0 | 0 | 112.9 | D616 R617 G622 | D616-Q620 WeakPolarHBondContact O-CB 3.35Å; D616-Q620 WeakPolarHBondContact O-CG 3.26Å; D616-Q620 PolarHBondContact O-N 3.48Å; R617-Q620 PolarHBondContact O-N 3.25Å; Q620-G622 PolarHBondContact O-N 3.07Å |
| 621 | D | 98.4 | Very high | 96.6 | Very high | 23 Ų | 23 | 25.9 Ų | 25.9 | 12% | 0.123 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -13 | 174 | -65.5 | -27.3 | 0 | 0 | 0 | 111.8 | R547 F579 Y581 R617 I618 H619 I623 | R547-D621 WeakPolarHBondContact CD-O 3.44Å; R547-D621 PolarHBondContact NH1-O 3.33Å; F579-D621 HydrophobicContact CD1-CB 3.98Å; F579-D621 HydrophobicContact CE1-CB 3.7Å; F579-D621 HydrophobicContact CZ-CB 4.32Å; Y581-D621 WeakPolarHBondContact CE1-OD2 3.32Å; Y581-D621 VanDerWaalsContact OH-CB 3.27Å; Y581-D621 WeakPolarHBondContact OH-CB 3.12Å; Y581-D621 PolarHBondContact OH-OD2 3.27Å; R617-D621 IonicContact CZ-OD1 3.95Å; R617-D621 IonicContact CZ-OD2 2.76Å; R617-D621 IonicContact NE-OD1 2.72Å; R617-D621 PolarHBondContact NE-OD1 3.29Å; R617-D621 IonicContact NE-OD2 3.46Å; R617-D621 PolarHBondContact NE-OD2 3.43Å; R617-D621 IonicContact NH2-OD1 2.87Å; R617-D621 PolarHBondContact NH2-OD1 3.49Å; R617-D621 IonicContact NH2-OD2 3.73Å; R617-D621 PolarHBondContact NH2-OD2 2.89Å; R617-D621 PolarHBondContact O-N 3.49Å; R617-D621 VanDerWaalsContact O-N 3.16Å; I618-D621 PolarHBondContact O-N 3.26Å; H619-D621 VanDerWaalsContact C-N 3.27Å; H619-D621 PolarHBondContact O-N 3.32Å; D621-I623 HydrophobicContact CB-CD1 4.19Å; D621-I623 HydrophobicContact CB-CG1 4.3Å |
| 622 | G | 98.1 | Very high | 97.1 | Very high | 14 Ų | 14 | 24.7 Ų | 24.7 | 14% | 0.144 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 39.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R547 H619 Q620 H624 | R547-G622 WeakPolarHBondContact CD-O 3.48Å; H619-G622 WeakPolarHBondContact O-CA 3.41Å; H619-G622 PolarHBondContact O-N 2.64Å; Q620-G622 PolarHBondContact O-N 3.07Å; G622-H624 PolarHBondContact O-CE1 3.25Å; G622-H624 PolarHBondContact O-ND1 2.86Å |
| 623 | I | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | trans | -64.1 | 132.6 | -178.9 | -58 | -54.1 | 0 | 0 | 0 | 111 | R547 F579 Y581 I618 D621 I625 L626 A646 P647 | R547-I623 HydrophobicContact CB-CD1 4.17Å; F579-I623 HydrophobicContact CB-CD1 3.84Å; F579-I623 HydrophobicContact CD1-CD1 4.11Å; F579-I623 HydrophobicContact CD2-CD1 3.4Å; F579-I623 HydrophobicContact CE2-CD1 3.93Å; F579-I623 HydrophobicContact CG-CD1 3.52Å; F579-I623 HydrophobicContact CZ-CD1 4.5Å; Y581-I623 HydrophobicContact CE2-CD1 4.21Å; Y581-I623 HydrophobicContact CE2-CG1 4.07Å; Y581-I623 WeakPolarHBondContact OH-CD1 3.34Å; Y581-I623 WeakPolarHBondContact OH-CG1 3.38Å; I618-I623 HydrophobicContact CG2-CB 4.28Å; I618-I623 HydrophobicContact CG2-CG1 3.93Å; D621-I623 HydrophobicContact CB-CD1 4.19Å; D621-I623 HydrophobicContact CB-CG1 4.3Å; I623-I625 VanDerWaalsContact CG2-O 3.23Å; I623-I625 WeakPolarHBondContact CG2-O 3.37Å; I623-L626 HydrophobicContact CG2-CB 4.16Å; I623-L626 HydrophobicContact CG2-CD1 4.03Å; I623-A646 HydrophobicContact CB-CB 4.28Å; I623-A646 HydrophobicContact CG2-CB 4.08Å; I623-A646 WeakPolarHBondContact O-CB 3.49Å; I623-P647 WeakPolarHBondContact O-CD 2.85Å | ||
| 624 | H | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -93.1 | -44.1 | 177.4 | -54.2 | 86.6 | 0 | 0 | 0 | 111 | L539 L546 R547 G622 P647 V648 W1015 | L539-H624 WeakPolarHBondContact CD2-NE2 3.09Å; L546-H624 HydrophobicContact CD1-CB 3.47Å; L546-H624 VanDerWaalsContact CD1-CB 3.47Å; L546-H624 HydrophobicContact CG-CB 4.37Å; R547-H624 WeakPolarHBondContact CA-ND1 3.42Å; R547-H624 VanDerWaalsContact CB-ND1 3.29Å; R547-H624 WeakPolarHBondContact CB-ND1 3.35Å; R547-H624 PolarHBondContact N-ND1 3.25Å; R547-H624 PolarHBondContact O-N 3.27Å; G622-H624 PolarHBondContact O-CE1 3.25Å; G622-H624 PolarHBondContact O-ND1 2.86Å; H624-P647 WeakPolarHBondContact O-CD 3.33Å; H624-P647 WeakPolarHBondContact O-CG 3.29Å; H624-V648 PolarHBondContact O-N 2.92Å; H624-W1015 HydrophobicContact CB-CE3 3.99Å; H624-W1015 HydrophobicContact CB-CZ3 3.98Å; H624-W1015 AromaticContact CD2-CH2 3.57Å; H624-W1015 AromaticContact CD2-CZ3 3.69Å |
| 625 | I | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 117.7 | 176 | -53.2 | -175.2 | 0 | 0 | 0 | 109 | L546 R547 I548 G549 I623 V627 V648 Y1011 M1014 | L546-I625 HydrophobicContact CD2-CD1 3.93Å; R547-I625 PolarHBondContact O-N 2.96Å; I548-I625 WeakPolarHBondContact CA-O 3.4Å; I548-I625 HydrophobicContact CD1-CB 3.76Å; I548-I625 HydrophobicContact CD1-CD1 4.01Å; I548-I625 HydrophobicContact CD1-CG1 4.07Å; G549-I625 PolarHBondContact N-O 3.29Å; I623-I625 VanDerWaalsContact CG2-O 3.23Å; I623-I625 WeakPolarHBondContact CG2-O 3.37Å; I625-V627 HydrophobicContact CG2-CG2 4.17Å; I625-V648 WeakPolarHBondContact CA-O 3.31Å; I625-V648 HydrophobicContact CG1-CB 4.17Å; I625-V648 HydrophobicContact CG1-CG1 4.38Å; I625-V648 HydrophobicContact CG2-CG1 4.3Å; I625-Y1011 HydrophobicContact CD1-CD1 3.76Å; I625-Y1011 HydrophobicContact CD1-CG 4.04Å; I625-Y1011 WeakPolarHBondContact CD1-O 3.47Å; I625-Y1011 HydrophobicContact CG2-CD1 4.14Å; I625-Y1011 HydrophobicContact CG2-CE1 4.15Å; I625-M1014 HydrophobicContact CD1-CB 4.06Å; I625-M1014 HydrophobicContact CD1-SD 4.38Å |
| 626 | L | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 124.3 | 175.5 | -165.1 | 71.9 | 0 | 0 | 0 | 110.1 | G549 V551 Y581 I618 I623 F641 P645 A646 V648 Q649 A650 | G549-L626 CarbonylContact O-C 3.59Å; V551-L626 HydrophobicContact CG2-CD1 3.55Å; V551-L626 HydrophobicContact CG2-CD2 4.31Å; V551-L626 HydrophobicContact CG2-CG 3.86Å; Y581-L626 HydrophobicContact CD2-CD1 4.28Å; Y581-L626 HydrophobicContact CE2-CD1 4.18Å; I618-L626 HydrophobicContact CD1-CD2 4.4Å; I618-L626 HydrophobicContact CG2-CD1 3.73Å; I618-L626 HydrophobicContact CG2-CD2 4.14Å; I623-L626 HydrophobicContact CG2-CB 4.16Å; I623-L626 HydrophobicContact CG2-CD1 4.03Å; L626-F641 HydrophobicContact CB-CE1 4.15Å; L626-F641 HydrophobicContact CD2-CD1 3.83Å; L626-F641 HydrophobicContact CD2-CE1 3.55Å; L626-F641 HydrophobicContact CD2-CZ 4.04Å; L626-F641 HydrophobicContact CG-CD1 4.3Å; L626-F641 HydrophobicContact CG-CE1 3.56Å; L626-F641 HydrophobicContact CG-CZ 4.02Å; L626-P645 HydrophobicContact CD2-CG 3.97Å; L626-A646 HydrophobicContact CB-CB 3.7Å; L626-V648 PolarHBondContact N-O 3.43Å; L626-Q649 HydrophobicContact CB-CG 4.39Å; L626-Q649 CarbonylContact O-C 3.51Å; L626-Q649 VanDerWaalsContact O-CA 3.25Å; L626-Q649 WeakPolarHBondContact O-CA 3.35Å; L626-A650 PolarHBondContact O-N 3.09Å |
| 627 | V | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 118.3 | -171 | -174.9 | 0 | 0 | 0 | 0 | 109.5 | I548 G549 Y550 V551 I625 M629 A650 W652 Y1011 | I548-V627 HydrophobicContact CG2-CG2 4.08Å; G549-V627 PolarHBondContact O-N 3.33Å; Y550-V627 HydrophobicContact CD1-CB 3.81Å; Y550-V627 HydrophobicContact CD1-CG1 3.97Å; Y550-V627 HydrophobicContact CD1-CG2 4.13Å; Y550-V627 HydrophobicContact CE1-CB 4.21Å; Y550-V627 HydrophobicContact CE1-CG1 4.21Å; Y550-V627 HydrophobicContact CE1-CG2 4.09Å; V551-V627 PolarHBondContact N-O 2.84Å; I625-V627 HydrophobicContact CG2-CG2 4.17Å; V627-M629 HydrophobicContact CG1-CG 4.21Å; V627-A650 CarbonylContact C-O 3.1Å; V627-A650 WeakPolarHBondContact CA-O 3.34Å; V627-W652 HydrophobicContact CG1-CB 3.52Å; V627-W652 HydrophobicContact CG1-CD2 4.33Å; V627-W652 HydrophobicContact CG1-CE3 3.83Å; V627-W652 HydrophobicContact CG1-CG 4.28Å; V627-Y1011 HydrophobicContact CG2-CE1 4.18Å; V627-Y1011 WeakPolarHBondContact CG2-OH 3.27Å |
| 628 | N | 98.9 | Very high | 97 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.011 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 115.3 | 175.6 | -170.9 | -30.5 | 0 | 0 | 0 | 109.9 | N630 G631 N638 F641 A650 M651 W652 M664 | N628-N630 PolarHBondContact OD1-N 3.34Å; N628-G631 PolarHBondContact OD1-N 2.82Å; N628-N638 PolarHBondContact ND2-OD1 3.41Å; N628-F641 VanDerWaalsContact CA-CZ 3.4Å; N628-F641 HydrophobicContact CB-CD1 4.19Å; N628-F641 HydrophobicContact CB-CD2 4.35Å; N628-F641 HydrophobicContact CB-CE1 3.61Å; N628-F641 HydrophobicContact CB-CE2 3.8Å; N628-F641 HydrophobicContact CB-CZ 3.4Å; N628-F641 VanDerWaalsContact CB-CZ 3.4Å; N628-A650 PolarHBondContact N-O 3.5Å; N628-M651 HydrophobicContact CB-SD 3.7Å; N628-W652 PolarHBondContact O-N 3.38Å; N628-M664 HydrophobicContact CB-CE 3.78Å; N628-M664 HydrophobicContact CB-SD 4.37Å |
| 629 | M | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -107.5 | 14.2 | 179.4 | -58.1 | 173.8 | 58.4 | 0 | 0 | 113.2 | Y550 V551 F555 T560 M564 V627 W652 G654 | Y550-M629 HydrophobicContact CD1-SD 3.86Å; Y550-M629 HydrophobicContact CG-SD 4.27Å; V551-M629 WeakPolarHBondContact O-CB 3.49Å; V551-M629 PolarHBondContact O-N 3.26Å; V551-M629 VanDerWaalsContact O-N 3.15Å; F555-M629 HydrophobicContact CE1-SD 4.46Å; F555-M629 HydrophobicContact CZ-SD 4.38Å; T560-M629 HydrophobicContact CG2-CE 3.41Å; T560-M629 VanDerWaalsContact CG2-CE 3.41Å; M564-M629 HydrophobicContact CE-CE 3.52Å; M564-M629 HydrophobicContact CE-SD 3.98Å; M564-M629 HydrophobicContact CG-CE 3.58Å; M564-M629 HydrophobicContact SD-CE 3.67Å; V627-M629 HydrophobicContact CG1-CG 4.21Å; M629-W652 HydrophobicContact CE-CE3 4.3Å; M629-W652 HydrophobicContact CE-CZ3 4.04Å; M629-W652 HydrophobicContact CG-CE3 4.04Å; M629-W652 HydrophobicContact SD-CE3 4.07Å; M629-W652 HydrophobicContact SD-CZ3 4.03Å; M629-G654 WeakPolarHBondContact O-CA 3.23Å |
| 630 | N | 98.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.011 | 14% | 0.143 | C | C | . | . | trans | -116.1 | -44.7 | -178.4 | -73.2 | 116.6 | 0 | 0 | 0 | 112.9 | S552 S553 N628 Y632 T633 A636 Y655 | S552-N630 VanDerWaalsContact CA-OD1 3.31Å; S552-N630 WeakPolarHBondContact CA-OD1 3.4Å; S553-N630 PolarHBondContact N-ND2 3.33Å; S553-N630 PolarHBondContact N-OD1 2.83Å; S553-N630 VanDerWaalsContact N-OD1 3.12Å; S553-N630 PolarHBondContact OG-ND2 3.13Å; N628-N630 PolarHBondContact OD1-N 3.34Å; N630-Y632 PolarHBondContact O-N 3.09Å; N630-T633 WeakPolarHBondContact O-CG2 3.25Å; N630-T633 PolarHBondContact O-N 3.1Å; N630-T633 PolarHBondContact O-OG1 3.14Å; N630-A636 HydrophobicContact CB-CB 3.79Å; N630-Y655 WeakPolarHBondContact O-CB 3.27Å | ||
| 631 | G | 97.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | S | Bend | trans | 53 | -126 | -165.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N628 A636 N638 | N628-G631 PolarHBondContact OD1-N 2.82Å; G631-A636 VanDerWaalsContact O-CB 3.23Å; G631-A636 WeakPolarHBondContact O-CB 3.48Å; G631-N638 PolarHBondContact O-ND2 3.24Å; G631-N638 PolarHBondContact O-OD1 3.16Å |
| 632 | Y | 97.3 | Very high | 96.8 | Very high | 14 Ų | 14 | 19.3 Ų | 19.3 | 6% | 0.055 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -101.9 | 61.8 | 176.9 | -57.3 | -71.7 | 0 | 0 | 0 | 111.3 | H496 P497 A514 H517 G518 N630 Y655 S659 | H496-Y632 PolarHBondContact CE1-O 3.37Å; P497-Y632 HydrophobicContact CB-CD2 3.42Å; P497-Y632 VanDerWaalsContact CB-CD2 3.42Å; P497-Y632 HydrophobicContact CB-CE2 4.04Å; P497-Y632 HydrophobicContact CB-CG 3.84Å; P497-Y632 HydrophobicContact CG-CD1 4.27Å; P497-Y632 HydrophobicContact CG-CD2 3.69Å; P497-Y632 HydrophobicContact CG-CE2 4.09Å; P497-Y632 HydrophobicContact CG-CG 3.78Å; A514-Y632 HydrophobicContact CB-CE2 4.03Å; A514-Y632 PolarHBondContact O-OH 3.46Å; H517-Y632 HydrophobicContact CB-CD1 4.12Å; H517-Y632 HydrophobicContact CB-CE1 3.53Å; G518-Y632 WeakPolarHBondContact CA-OH 3.42Å; G518-Y632 PolarHBondContact N-OH 3.25Å; G518-Y632 VanDerWaalsContact N-OH 3.09Å; N630-Y632 PolarHBondContact O-N 3.09Å; Y632-Y655 HydrophobicContact CD2-CE1 4.13Å; Y632-Y655 HydrophobicContact CD2-CE2 4.4Å; Y632-Y655 AromaticContact CD2-CZ 3.86Å; Y632-S659 WeakPolarHBondContact CE2-O 3.05Å; Y632-S659 VanDerWaalsContact CZ-O 3.27Å; Y632-S659 PolarHBondContact OH-O 3.43Å |
| 633 | T | 93.8 | Very high | 96.7 | Very high | 37 Ų | 37 | 19.6 Ų | 19.6 | 23% | 0.227 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -114.9 | 171.9 | 172.5 | 60 | 0 | 0 | 0 | 0 | 111.8 | N630 G635 A636 Y655 | N630-T633 WeakPolarHBondContact O-CG2 3.25Å; N630-T633 PolarHBondContact O-N 3.1Å; N630-T633 PolarHBondContact O-OG1 3.14Å; T633-G635 PolarHBondContact O-N 3.21Å; T633-A636 VanDerWaalsContact O-CB 3.32Å; T633-A636 WeakPolarHBondContact O-CB 3.43Å; T633-A636 PolarHBondContact O-N 3.33Å; T633-Y655 HydrophobicContact CG2-CD2 4.13Å |
| 634 | K | 88.8 | Confident | 96.7 | Very high | 190 Ų | 190 | 22.7 Ų | 22.7 | 83% | 0.826 | 12% | 0.119 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 129.9 | 178.7 | -176.5 | 178.8 | 179.7 | 178.7 | 0 | 109.9 | S553 | S553-K634 PolarHBondContact OG-O 3.46Š|
| 635 | G | 89.6 | Confident | 96.7 | Very high | 39 Ų | 39 | 22.7 Ų | 22.7 | 40% | 0.402 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | -4.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115 | T633 | T633-G635 PolarHBondContact O-N 3.21Š|
| 636 | A | 95 | Very high | 96.7 | Very high | 28 Ų | 28 | 22.7 Ų | 22.7 | 23% | 0.231 | 12% | 0.119 | C | C | . | . | trans | -60.2 | 141.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | N630 G631 T633 | N630-A636 HydrophobicContact CB-CB 3.79Å; G631-A636 VanDerWaalsContact O-CB 3.23Å; G631-A636 WeakPolarHBondContact O-CB 3.48Å; T633-A636 VanDerWaalsContact O-CB 3.32Å; T633-A636 WeakPolarHBondContact O-CB 3.43Å; T633-A636 PolarHBondContact O-N 3.33Å | ||
| 637 | R | 95.5 | Very high | 96.7 | Very high | 34 Ų | 34 | 23 Ų | 23 | 13% | 0.128 | 12% | 0.121 | C | C | . | . | trans | -126.5 | 66.7 | 171.4 | -69.5 | 173.6 | 59.6 | -174 | 5.4 | 109.7 | L583 L605 I608 P609 N611 E639 L640 | L583-R637 HydrophobicContact CD1-CB 3.99Å; L583-R637 HydrophobicContact CD1-CG 4.27Å; L605-R637 PolarHBondContact O-NH1 3.05Å; I608-R637 PolarHBondContact O-NH1 3.35Å; I608-R637 VanDerWaalsContact O-NH1 3.13Å; I608-R637 PolarHBondContact O-NH2 3.46Å; P609-R637 PolarHBondContact O-NH2 3.1Å; N611-R637 VanDerWaalsContact OD1-CZ 3.31Å; N611-R637 PolarHBondContact OD1-NE 3.11Å; N611-R637 PolarHBondContact OD1-NH2 3.33Å; R637-E639 WeakPolarHBondContact CA-OE2 3.49Å; R637-E639 PolarHBondContact O-N 3Å; R637-E639 VanDerWaalsContact O-N 3.14Å; R637-L640 HydrophobicContact CB-CD1 4.01Å; R637-L640 HydrophobicContact CB-CG 4.01Å; R637-L640 WeakPolarHBondContact O-CB 3.45Å; R637-L640 WeakPolarHBondContact O-CG 3.21Å; R637-L640 PolarHBondContact O-N 3.47Å | ||
| 638 | N | 97.8 | Very high | 96.7 | Very high | 11 Ų | 11 | 23.1 Ų | 23.1 | 6% | 0.059 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -16.3 | -177.4 | -67.2 | -37.1 | 0 | 0 | 0 | 112.7 | N628 G631 L640 F641 A642 F663 | N628-N638 PolarHBondContact ND2-OD1 3.41Å; G631-N638 PolarHBondContact O-ND2 3.24Å; G631-N638 PolarHBondContact O-OD1 3.16Å; N638-L640 PolarHBondContact O-N 2.79Å; N638-F641 PolarHBondContact O-N 3.23Å; N638-A642 PolarHBondContact O-N 3.36Å; N638-F663 HydrophobicContact CB-CZ 4.32Å |
| 639 | E | 94.6 | Very high | 96.7 | Very high | 21 Ų | 21 | 23 Ų | 23 | 10% | 0.098 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -56.2 | -30.4 | 168.8 | -62.4 | 85.5 | 173.5 | 0 | 0 | 112.6 | C521 K524 I525 N611 R637 F641 A642 L643 | C521-E639 HydrophobicContact CB-CG 4.36Å; K524-E639 HydrophobicContact CB-CG 4.41Å; K524-E639 HydrophobicContact CD-CG 4.17Å; K524-E639 VanDerWaalsContact CD-OE1 3.29Å; K524-E639 WeakPolarHBondContact CD-OE1 3.41Å; K524-E639 IonicContact NZ-OE1 2.61Å; K524-E639 PolarHBondContact NZ-OE1 3.3Å; I525-E639 HydrophobicContact CG2-CB 3.71Å; I525-E639 HydrophobicContact CG2-CG 4.15Å; N611-E639 HydrophobicContact CB-CB 4.11Å; N611-E639 WeakPolarHBondContact ND2-CB 3.45Å; R637-E639 WeakPolarHBondContact CA-OE2 3.49Å; R637-E639 PolarHBondContact O-N 3Å; R637-E639 VanDerWaalsContact O-N 3.14Å; E639-F641 VanDerWaalsContact C-N 3.34Å; E639-A642 PolarHBondContact O-N 3.29Å; E639-L643 PolarHBondContact O-N 3.26Å |
| 640 | L | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.8 | -41.3 | 174.8 | -58.7 | -179.4 | 0 | 0 | 0 | 111.4 | V551 L583 L605 N611 A614 I618 R637 N638 P645 | V551-L640 HydrophobicContact CG1-CD1 4.47Å; L583-L640 HydrophobicContact CD2-CD1 3.77Å; L605-L640 HydrophobicContact CD1-CD1 4.01Å; N611-L640 HydrophobicContact CB-CD2 4.14Å; N611-L640 WeakPolarHBondContact O-CD2 3.34Å; A614-L640 HydrophobicContact CB-CD2 3.56Å; I618-L640 HydrophobicContact CD1-CD1 4.45Å; R637-L640 HydrophobicContact CB-CD1 4.01Å; R637-L640 HydrophobicContact CB-CG 4.01Å; R637-L640 WeakPolarHBondContact O-CB 3.45Å; R637-L640 WeakPolarHBondContact O-CG 3.21Å; R637-L640 PolarHBondContact O-N 3.47Å; N638-L640 PolarHBondContact O-N 2.79Å; L640-P645 WeakPolarHBondContact O-CD 3.33Å |
| 641 | F | 98.6 | Very high | 96.7 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.009 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -76.2 | -34.4 | 178.2 | -69 | -90.2 | 0 | 0 | 0 | 111.7 | V551 L626 N628 N638 E639 L643 R644 Q649 F663 M664 | V551-F641 HydrophobicContact CB-CE2 3.98Å; V551-F641 HydrophobicContact CB-CZ 3.72Å; V551-F641 HydrophobicContact CG1-CE2 4.1Å; V551-F641 HydrophobicContact CG1-CZ 4.36Å; V551-F641 HydrophobicContact CG2-CE2 4.16Å; V551-F641 HydrophobicContact CG2-CZ 3.65Å; L626-F641 HydrophobicContact CB-CE1 4.15Å; L626-F641 HydrophobicContact CD2-CD1 3.83Å; L626-F641 HydrophobicContact CD2-CE1 3.55Å; L626-F641 HydrophobicContact CD2-CZ 4.04Å; L626-F641 HydrophobicContact CG-CD1 4.3Å; L626-F641 HydrophobicContact CG-CE1 3.56Å; L626-F641 HydrophobicContact CG-CZ 4.02Å; N628-F641 VanDerWaalsContact CA-CZ 3.4Å; N628-F641 HydrophobicContact CB-CD1 4.19Å; N628-F641 HydrophobicContact CB-CD2 4.35Å; N628-F641 HydrophobicContact CB-CE1 3.61Å; N628-F641 HydrophobicContact CB-CE2 3.8Å; N628-F641 HydrophobicContact CB-CZ 3.4Å; N628-F641 VanDerWaalsContact CB-CZ 3.4Å; N638-F641 PolarHBondContact O-N 3.23Å; E639-F641 VanDerWaalsContact C-N 3.34Å; F641-L643 PolarHBondContact O-N 3.37Å; F641-R644 WeakPolarHBondContact O-CG 3.39Å; F641-R644 PolarHBondContact O-N 3.02Å; F641-Q649 HydrophobicContact CD1-CB 4.22Å; F641-Q649 HydrophobicContact CD1-CG 4.4Å; F641-Q649 PolarHBondContact O-NE2 2.91Å; F641-Q649 PolarHBondContact O-OE1 3.47Å; F641-F663 HydrophobicContact CB-CD2 3.69Å; F641-F663 HydrophobicContact CB-CE2 3.77Å; F641-M664 HydrophobicContact CB-SD 3.97Å; F641-M664 HydrophobicContact CD1-CE 4.22Å; F641-M664 HydrophobicContact CD1-SD 3.7Å; F641-M664 HydrophobicContact CE1-CE 4.47Å; F641-M664 HydrophobicContact CE1-SD 4.47Å; F641-M664 HydrophobicContact CG-SD 4Å |
| 642 | A | 97.6 | Very high | 96.8 | Very high | 9 Ų | 9 | 23.3 Ų | 23.3 | 7% | 0.074 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.9 | -33.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | C521 L522 I525 N638 E639 R644 F663 | C521-A642 HydrophobicContact CB-CB 4.19Å; L522-A642 HydrophobicContact CD2-CB 4.14Å; I525-A642 HydrophobicContact CD1-CB 3.63Å; I525-A642 WeakPolarHBondContact CD1-O 3.43Å; I525-A642 HydrophobicContact CG1-CB 4.19Å; I525-A642 HydrophobicContact CG2-CB 4.43Å; N638-A642 PolarHBondContact O-N 3.36Å; E639-A642 PolarHBondContact O-N 3.29Å; A642-R644 PolarHBondContact O-N 3.16Å; A642-F663 HydrophobicContact CB-CD1 3.72Å; A642-F663 HydrophobicContact CB-CE1 3.68Å; A642-F663 HydrophobicContact CB-CG 4.24Å; A642-F663 HydrophobicContact CB-CZ 4.18Å |
| 643 | L | 97.1 | Very high | 96.8 | Very high | 21 Ų | 21 | 23.2 Ų | 23.2 | 11% | 0.11 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -9.6 | 175.6 | -76.9 | 165.2 | 0 | 0 | 0 | 113.8 | I525 L528 K530 F533 A615 E639 F641 | I525-L643 HydrophobicContact CB-CD2 4.07Å; I525-L643 HydrophobicContact CB-CG 4.14Å; I525-L643 HydrophobicContact CD1-CD2 3.88Å; I525-L643 HydrophobicContact CD1-CG 3.91Å; I525-L643 HydrophobicContact CG2-CD1 4.3Å; I525-L643 HydrophobicContact CG2-CD2 4.45Å; I525-L643 HydrophobicContact CG2-CG 3.99Å; L528-L643 HydrophobicContact CD1-CD1 4.41Å; K530-L643 HydrophobicContact CB-CD2 4.33Å; K530-L643 HydrophobicContact CD-CD2 4.21Å; F533-L643 WeakPolarHBondContact CD2-O 3.32Å; F533-L643 HydrophobicContact CE2-CB 4.37Å; A615-L643 HydrophobicContact CB-CB 3.99Å; A615-L643 HydrophobicContact CB-CD1 3.56Å; A615-L643 HydrophobicContact CB-CG 4.4Å; E639-L643 PolarHBondContact O-N 3.26Å; F641-L643 PolarHBondContact O-N 3.37Å |
| 644 | R | 98.4 | Very high | 96.8 | Very high | 65 Ų | 65 | 22.4 Ų | 22.4 | 25% | 0.245 | 12% | 0.122 | C | C | . | . | trans | 46.3 | 58 | 180 | -59.9 | -161.5 | 66 | 112.4 | 9.8 | 114.8 | H535 F641 A642 A646 P647 F663 D665 | H535-R644 PolarHBondContact NE2-O 3.27Å; F641-R644 WeakPolarHBondContact O-CG 3.39Å; F641-R644 PolarHBondContact O-N 3.02Å; A642-R644 PolarHBondContact O-N 3.16Å; R644-A646 PolarHBondContact O-N 3.26Å; R644-P647 PolarHBondContact NH2-O 3.18Å; R644-P647 VanDerWaalsContact NH2-O 3.13Å; R644-F663 HydrophobicContact CG-CB 4.09Å; R644-F663 PolarHBondContact NH1-O 3.48Å; R644-D665 IonicContact CZ-OD1 3.52Å; R644-D665 IonicContact CZ-OD2 3.88Å; R644-D665 IonicContact NH1-OD1 2.71Å; R644-D665 PolarHBondContact NH1-OD1 2.84Å; R644-D665 IonicContact NH1-OD2 2.69Å; R644-D665 IonicContact NH2-OD1 3.78Å; R644-D665 PolarHBondContact NH2-OD1 3.43Å; R644-D665 IonicContact NH2-OD2 3.47Å; R644-D665 PolarHBondContact NH2-OD2 3.28Å | ||
| 645 | P | 98.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.006 | 9% | 0.086 | C | C | . | . | trans | -69.7 | -14.2 | 178.1 | 30.3 | -36.7 | 0 | 0 | 0 | 114.1 | F533 A615 I618 H619 L626 L640 | F533-P645 HydrophobicContact CD2-CB 4.23Å; F533-P645 HydrophobicContact CE2-CB 4.09Å; A615-P645 HydrophobicContact CB-CB 4.42Å; A615-P645 HydrophobicContact CB-CG 4.47Å; A615-P645 WeakPolarHBondContact O-CB 3.48Å; I618-P645 HydrophobicContact CB-CB 4.13Å; I618-P645 HydrophobicContact CB-CG 4.15Å; I618-P645 HydrophobicContact CD1-CG 4.46Å; I618-P645 HydrophobicContact CG2-CB 3.97Å; I618-P645 HydrophobicContact CG2-CG 3.82Å; H619-P645 HydrophobicContact CB-CB 4.08Å; H619-P645 PolarHBondContact ND1-O 3.36Å; L626-P645 HydrophobicContact CD2-CG 3.97Å; L640-P645 WeakPolarHBondContact O-CD 3.33Å | ||
| 646 | A | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -122.4 | 151.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I623 L626 R644 | I623-A646 HydrophobicContact CB-CB 4.28Å; I623-A646 HydrophobicContact CG2-CB 4.08Å; I623-A646 WeakPolarHBondContact O-CB 3.49Å; L626-A646 HydrophobicContact CB-CB 3.7Å; R644-A646 PolarHBondContact O-N 3.26Å |
| 647 | P | 98.4 | Very high | 97.8 | Very high | 5 Ų | 5 | 12.6 Ų | 12.6 | 3% | 0.032 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -67.4 | -40.6 | -178.5 | 19.5 | -25.9 | 0 | 0 | 0 | 113.7 | H535 I623 H624 R644 W1015 Y1018 | H535-P647 HydrophobicContact CB-CB 3.7Å; H535-P647 HydrophobicContact CB-CG 3.97Å; I623-P647 WeakPolarHBondContact O-CD 2.85Å; H624-P647 WeakPolarHBondContact O-CD 3.33Å; H624-P647 WeakPolarHBondContact O-CG 3.29Å; R644-P647 PolarHBondContact NH2-O 3.18Å; R644-P647 VanDerWaalsContact NH2-O 3.13Å; P647-W1015 HydrophobicContact CG-CZ3 4.22Å; P647-Y1018 HydrophobicContact CB-CD1 4.15Å; P647-Y1018 HydrophobicContact CB-CD2 4.1Å; P647-Y1018 HydrophobicContact CB-CE1 3.57Å; P647-Y1018 HydrophobicContact CB-CE2 3.5Å; P647-Y1018 HydrophobicContact CB-CG 4.39Å; P647-Y1018 WeakPolarHBondContact CB-OH 3.34Å; P647-Y1018 HydrophobicContact CG-CE1 4.02Å |
| 648 | V | 98.8 | Very high | 97.9 | Very high | 4 Ų | 4 | 11.5 Ų | 11.5 | 2% | 0.024 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 129.1 | 178.8 | -178.8 | 0 | 0 | 0 | 0 | 109.5 | H624 I625 L626 D665 Y666 M1014 Y1018 | H624-V648 PolarHBondContact O-N 2.92Å; I625-V648 WeakPolarHBondContact CA-O 3.31Å; I625-V648 HydrophobicContact CG1-CB 4.17Å; I625-V648 HydrophobicContact CG1-CG1 4.38Å; I625-V648 HydrophobicContact CG2-CG1 4.3Å; L626-V648 PolarHBondContact N-O 3.43Å; V648-D665 WeakPolarHBondContact CA-OD2 3.35Å; V648-Y666 HydrophobicContact CG1-CD2 3.8Å; V648-Y666 HydrophobicContact CG1-CE2 3.97Å; V648-M1014 HydrophobicContact CG1-CB 4.37Å; V648-M1014 HydrophobicContact CG1-SD 4.5Å; V648-Y1018 HydrophobicContact CG2-CD2 4.22Å; V648-Y1018 HydrophobicContact CG2-CG 3.95Å |
| 649 | Q | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 126.7 | 177.2 | -52.2 | -165.6 | 142.4 | 0 | 0 | 111.1 | L626 F641 F663 M664 D665 Y666 | L626-Q649 HydrophobicContact CB-CG 4.39Å; L626-Q649 CarbonylContact O-C 3.51Å; L626-Q649 VanDerWaalsContact O-CA 3.25Å; L626-Q649 WeakPolarHBondContact O-CA 3.35Å; F641-Q649 HydrophobicContact CD1-CB 4.22Å; F641-Q649 HydrophobicContact CD1-CG 4.4Å; F641-Q649 PolarHBondContact O-NE2 2.91Å; F641-Q649 PolarHBondContact O-OE1 3.47Å; Q649-F663 PolarHBondContact NE2-O 2.94Å; Q649-M664 HydrophobicContact CB-CE 3.97Å; Q649-M664 HydrophobicContact CB-SD 4.09Å; Q649-D665 PolarHBondContact N-OD2 2.99Å; Q649-D665 WeakPolarHBondContact O-CB 3.47Å; Q649-D665 PolarHBondContact O-N 2.89Å; Q649-Y666 PolarHBondContact O-N 3.23Å |
| 650 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 138.2 | -174 | 0 | 0 | 0 | 0 | 0 | 112.7 | L626 V627 N628 M664 Y666 I668 M1014 | L626-A650 PolarHBondContact O-N 3.09Å; V627-A650 CarbonylContact C-O 3.1Å; V627-A650 WeakPolarHBondContact CA-O 3.34Å; N628-A650 PolarHBondContact N-O 3.5Å; A650-M664 WeakPolarHBondContact O-CE 3.45Å; A650-Y666 CarbonylContact C-O 3.45Å; A650-Y666 VanDerWaalsContact CA-O 3.29Å; A650-Y666 WeakPolarHBondContact CA-O 3.22Å; A650-I668 HydrophobicContact CB-CD1 4.31Å; A650-I668 HydrophobicContact CB-CG1 4.31Å; A650-M1014 HydrophobicContact CB-CE 4.48Å |
| 651 | M | 98.9 | Very high | 98.1 | Very high | 4 Ų | 4 | 10.3 Ų | 10.3 | 2% | 0.02 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 135.2 | 167.5 | -67.6 | -63.1 | -72.1 | 0 | 0 | 109.6 | N628 Y655 M664 Y666 I667 I668 E684 | N628-M651 HydrophobicContact CB-SD 3.7Å; M651-Y655 HydrophobicContact CE-CD1 3.9Å; M651-Y655 HydrophobicContact CE-CG 4.35Å; M651-M664 HydrophobicContact CG-CB 4.32Å; M651-M664 HydrophobicContact CG-CE 3.83Å; M651-M664 HydrophobicContact CG-CG 4.21Å; M651-M664 HydrophobicContact SD-CE 3.76Å; M651-M664 HydrophobicContact SD-CG 4.04Å; M651-M664 HydrophobicContact SD-SD 4.31Å; M651-Y666 PolarHBondContact N-O 3.39Å; M651-I667 HydrophobicContact CB-CB 4.22Å; M651-I667 HydrophobicContact CB-CG1 4.03Å; M651-I668 PolarHBondContact O-N 3.42Å; M651-E684 HydrophobicContact CG-CG 4.4Å; M651-E684 WeakPolarHBondContact CG-OE1 3.25Å |
| 652 | W | 98.9 | Very high | 98 | Very high | 5 Ų | 5 | 14.3 Ų | 14.3 | 2% | 0.019 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 134.2 | 177.4 | 179.4 | 54.6 | 0 | 0 | 0 | 113.5 | Y550 M564 I567 V627 N628 M629 G654 I668 Y1003 L1007 | Y550-W652 AromaticContact CD1-CE3 3.97Å; Y550-W652 HydrophobicContact CD1-CE3 3.97Å; Y550-W652 AromaticContact CD1-CZ3 3.71Å; Y550-W652 HydrophobicContact CD1-CZ3 3.71Å; Y550-W652 AromaticContact CE1-CE3 3.73Å; Y550-W652 HydrophobicContact CE1-CE3 3.73Å; Y550-W652 HydrophobicContact CE1-CH2 4.26Å; Y550-W652 AromaticContact CE1-CZ3 3.38Å; Y550-W652 HydrophobicContact CE1-CZ3 3.38Å; M564-W652 HydrophobicContact CB-CH2 3.88Å; M564-W652 HydrophobicContact CE-CH2 4.23Å; M564-W652 HydrophobicContact CE-CZ3 3.94Å; M564-W652 HydrophobicContact CG-CH2 4.28Å; M564-W652 HydrophobicContact CG-CZ3 4.48Å; I567-W652 HydrophobicContact CG1-CH2 4.42Å; I567-W652 HydrophobicContact CG2-CH2 4.3Å; V627-W652 HydrophobicContact CG1-CB 3.52Å; V627-W652 HydrophobicContact CG1-CD2 4.33Å; V627-W652 HydrophobicContact CG1-CE3 3.83Å; V627-W652 HydrophobicContact CG1-CG 4.28Å; N628-W652 PolarHBondContact O-N 3.38Å; M629-W652 HydrophobicContact CE-CE3 4.3Å; M629-W652 HydrophobicContact CE-CZ3 4.04Å; M629-W652 HydrophobicContact CG-CE3 4.04Å; M629-W652 HydrophobicContact SD-CE3 4.07Å; M629-W652 HydrophobicContact SD-CZ3 4.03Å; W652-G654 VanDerWaalsContact C-N 3.29Å; W652-G654 PolarHBondContact O-N 2.93Å; W652-I668 HydrophobicContact CB-CB 4.26Å; W652-I668 HydrophobicContact CB-CD1 4.15Å; W652-I668 HydrophobicContact CG-CB 4.3Å; W652-I668 HydrophobicContact CG-CD1 4.23Å; W652-Y1003 AromaticContact CZ2-CE1 3.79Å; W652-Y1003 HydrophobicContact CZ2-CE1 3.79Å; W652-Y1003 PolarHBondContact NE1-OH 3.49Å; W652-L1007 HydrophobicContact CH2-CD2 4.36Å; W652-L1007 HydrophobicContact CZ2-CD2 4.14Å |
| 653 | L | 97.7 | Very high | 98 | Very high | 12 Ų | 12 | 14.2 Ų | 14.2 | 6% | 0.063 | 8% | 0.084 | C | C | . | . | S | Bend | trans | 64.8 | -61.2 | 165.9 | -168 | 64.3 | 0 | 0 | 0 | 117 | L563 M564 Y655 F694 I695 | L563-L653 HydrophobicContact CB-CD2 4.12Å; L563-L653 HydrophobicContact CD1-CD1 4.11Å; L563-L653 HydrophobicContact CD1-CD2 4.43Å; L563-L653 HydrophobicContact CD1-CG 4.32Å; M564-L653 HydrophobicContact CB-CD2 3.84Å; M564-L653 HydrophobicContact CG-CD2 3.83Å; L653-Y655 VanDerWaalsContact C-N 3.34Å; L653-Y655 PolarHBondContact O-N 2.74Å; L653-F694 HydrophobicContact CD1-CD2 4.1Å; L653-F694 HydrophobicContact CD1-CE2 4.06Å; L653-I695 HydrophobicContact CD2-CG2 4.37Å |
| 654 | G | 94.6 | Very high | 98.1 | Very high | 20 Ų | 20 | 13.5 Ų | 13.5 | 21% | 0.206 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -77.2 | -11.5 | -164.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | M629 W652 | M629-G654 WeakPolarHBondContact O-CA 3.23Å; W652-G654 VanDerWaalsContact C-N 3.29Å; W652-G654 PolarHBondContact O-N 2.93Å |
| 655 | Y | 98.3 | Very high | 98.1 | Very high | 19 Ų | 19 | 11.3 Ų | 11.3 | 8% | 0.075 | 7% | 0.073 | C | C | . | . | trans | -127.4 | 120 | 175.5 | -174.8 | -108.8 | 0 | 0 | 0 | 111.5 | P497 H498 N630 Y632 T633 M651 L653 G657 T658 | P497-Y655 VanDerWaalsContact CB-OH 3.29Å; P497-Y655 WeakPolarHBondContact CB-OH 3.32Å; P497-Y655 PolarHBondContact O-OH 3.27Å; H498-Y655 HydrophobicContact CB-CE2 4.02Å; H498-Y655 AromaticContact CD2-CE2 3.98Å; H498-Y655 PolarHBondContact N-OH 3.4Å; N630-Y655 WeakPolarHBondContact O-CB 3.27Å; Y632-Y655 HydrophobicContact CD2-CE1 4.13Å; Y632-Y655 HydrophobicContact CD2-CE2 4.4Å; Y632-Y655 AromaticContact CD2-CZ 3.86Å; T633-Y655 HydrophobicContact CG2-CD2 4.13Å; M651-Y655 HydrophobicContact CE-CD1 3.9Å; M651-Y655 HydrophobicContact CE-CG 4.35Å; L653-Y655 VanDerWaalsContact C-N 3.34Å; L653-Y655 PolarHBondContact O-N 2.74Å; Y655-G657 WeakPolarHBondContact CD1-O 3.48Å; Y655-G657 WeakPolarHBondContact CE1-O 3.36Å; Y655-G657 PolarHBondContact O-N 2.99Å; Y655-T658 WeakPolarHBondContact CE1-O 3.19Å | ||
| 656 | P | 97.4 | Very high | 98.2 | Very high | 18 Ų | 18 | 11.4 Ų | 11.4 | 12% | 0.117 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -87.8 | 50.7 | -173.2 | 36.5 | -37.4 | 0 | 0 | 0 | 112.8 | M501 L942 A943 | M501-P656 HydrophobicContact CE-CG 4.33Å; M501-P656 HydrophobicContact SD-CG 3.99Å; P656-L942 HydrophobicContact CB-CD2 3.84Å; P656-A943 HydrophobicContact CB-CB 4.1Å; P656-A943 HydrophobicContact CG-CB 4.45Å |
| 657 | G | 97.7 | Very high | 98.2 | Very high | 13 Ų | 13 | 11.7 Ų | 11.7 | 13% | 0.134 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -171.9 | 177 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y655 | Y655-G657 WeakPolarHBondContact CD1-O 3.48Å; Y655-G657 WeakPolarHBondContact CE1-O 3.36Å; Y655-G657 PolarHBondContact O-N 2.99Å |
| 658 | T | 98.6 | Very high | 98.2 | Very high | 12 Ų | 12 | 11.5 Ų | 11.5 | 7% | 0.074 | 7% | 0.074 | C | C | . | . | trans | -65.3 | 139.3 | 172.3 | -178.9 | 0 | 0 | 0 | 0 | 111.2 | K511 A514 Y655 G660 Q681 S683 E684 | K511-T658 HydrophobicContact CB-CG2 4.4Å; A514-T658 HydrophobicContact CB-CG2 4.15Å; Y655-T658 WeakPolarHBondContact CE1-O 3.19Å; T658-G660 PolarHBondContact OG1-N 2.87Å; T658-Q681 WeakPolarHBondContact CG2-O 3.43Å; T658-S683 PolarHBondContact OG1-N 3.04Å; T658-S683 VanDerWaalsContact OG1-N 3.11Å; T658-S683 PolarHBondContact OG1-OG 2.94Å; T658-S683 VanDerWaalsContact OG1-OG 3.11Å; T658-E684 PolarHBondContact OG1-OE2 3.49Å | ||
| 659 | S | 98.4 | Very high | 98.2 | Very high | 4 Ų | 4 | 11.3 Ų | 11.3 | 3% | 0.028 | 7% | 0.073 | C | C | . | . | trans | -70.3 | -22.7 | 166.1 | 69.3 | 0 | 0 | 0 | 0 | 111.5 | A514 Y632 A661 M664 E684 | A514-S659 CarbonylContact C-O 3.52Å; A514-S659 WeakPolarHBondContact CB-O 3.37Å; Y632-S659 WeakPolarHBondContact CE2-O 3.05Å; Y632-S659 VanDerWaalsContact CZ-O 3.27Å; Y632-S659 PolarHBondContact OH-O 3.43Å; S659-A661 PolarHBondContact O-N 2.87Å; S659-A661 PolarHBondContact OG-N 3.03Å; S659-A661 VanDerWaalsContact OG-N 3.12Å; S659-M664 WeakPolarHBondContact OG-CB 3.48Å; S659-M664 WeakPolarHBondContact OG-CG 3.33Å; S659-E684 WeakPolarHBondContact CA-OE1 3.47Å; S659-E684 WeakPolarHBondContact CB-OE1 3.37Å; S659-E684 PolarHBondContact N-OE1 2.75Å; S659-E684 PolarHBondContact OG-OE1 2.99Å | ||
| 660 | G | 98.1 | Very high | 98.2 | Very high | 2 Ų | 2 | 11.3 Ų | 11.3 | 2% | 0.021 | 7% | 0.073 | C | C | . | . | trans | 62.4 | 3.1 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E515 T658 S683 | E515-G660 VanDerWaalsContact CA-O 3.25Å; E515-G660 WeakPolarHBondContact CA-O 3.41Å; E515-G660 WeakPolarHBondContact CG-O 3.36Å; T658-G660 PolarHBondContact OG1-N 2.87Å; G660-S683 VanDerWaalsContact C-OG 3.3Å; G660-S683 WeakPolarHBondContact CA-OG 3.37Å; G660-S683 PolarHBondContact N-OG 2.8Å | ||
| 661 | A | 97.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.008 | 10% | 0.101 | C | C | . | . | trans | -95.3 | 134.5 | -166 | 0 | 0 | 0 | 0 | 0 | 110.9 | S659 F663 M664 S683 | S659-A661 PolarHBondContact O-N 2.87Å; S659-A661 PolarHBondContact OG-N 3.03Å; S659-A661 VanDerWaalsContact OG-N 3.12Å; A661-F663 HydrophobicContact CB-CD1 3.93Å; A661-F663 HydrophobicContact CB-CD2 3.88Å; A661-F663 HydrophobicContact CB-CE1 3.59Å; A661-F663 HydrophobicContact CB-CE2 3.51Å; A661-F663 HydrophobicContact CB-CG 4.08Å; A661-F663 HydrophobicContact CB-CZ 3.37Å; A661-F663 PolarHBondContact O-N 3.34Å; A661-F663 VanDerWaalsContact O-N 3.09Å; A661-M664 HydrophobicContact CB-CG 4.31Å; A661-M664 PolarHBondContact O-N 2.99Å; A661-M664 VanDerWaalsContact O-N 3.17Å; A661-S683 PolarHBondContact N-OG 3.49Å | ||
| 662 | P | 97 | Very high | 98.1 | Very high | 86 Ų | 86 | 20.6 Ų | 20.6 | 56% | 0.558 | 11% | 0.114 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -10.7 | 179 | 30.4 | -37 | 0 | 0 | 0 | 113.1 | L522 | L522-P662 HydrophobicContact CD1-CG 3.83Š|
| 663 | F | 98 | Very high | 98.1 | Very high | 6 Ų | 6 | 20.4 Ų | 20.4 | 3% | 0.026 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -4.5 | 178.1 | 54.8 | -107.3 | 0 | 0 | 0 | 113.8 | C521 L522 N638 F641 A642 R644 Q649 A661 | C521-F663 HydrophobicContact CB-CE1 4.24Å; C521-F663 HydrophobicContact CB-CZ 4.35Å; L522-F663 HydrophobicContact CD2-CD1 4.15Å; L522-F663 HydrophobicContact CG-CD1 4.36Å; N638-F663 HydrophobicContact CB-CZ 4.32Å; F641-F663 HydrophobicContact CB-CD2 3.69Å; F641-F663 HydrophobicContact CB-CE2 3.77Å; A642-F663 HydrophobicContact CB-CD1 3.72Å; A642-F663 HydrophobicContact CB-CE1 3.68Å; A642-F663 HydrophobicContact CB-CG 4.24Å; A642-F663 HydrophobicContact CB-CZ 4.18Å; R644-F663 HydrophobicContact CG-CB 4.09Å; R644-F663 PolarHBondContact NH1-O 3.48Å; Q649-F663 PolarHBondContact NE2-O 2.94Å; A661-F663 HydrophobicContact CB-CD1 3.93Å; A661-F663 HydrophobicContact CB-CD2 3.88Å; A661-F663 HydrophobicContact CB-CE1 3.59Å; A661-F663 HydrophobicContact CB-CE2 3.51Å; A661-F663 HydrophobicContact CB-CG 4.08Å; A661-F663 HydrophobicContact CB-CZ 3.37Å; A661-F663 PolarHBondContact O-N 3.34Å; A661-F663 VanDerWaalsContact O-N 3.09Å |
| 664 | M | 98.8 | Very high | 98.1 | Very high | 7 Ų | 7 | 19.8 Ų | 19.8 | 3% | 0.034 | 11% | 0.11 | C | C | . | . | trans | -101 | 123.4 | 173 | -64.4 | -52.7 | -57.3 | 0 | 0 | 109.8 | N628 F641 Q649 A650 M651 S659 A661 E684 | N628-M664 HydrophobicContact CB-CE 3.78Å; N628-M664 HydrophobicContact CB-SD 4.37Å; F641-M664 HydrophobicContact CB-SD 3.97Å; F641-M664 HydrophobicContact CD1-CE 4.22Å; F641-M664 HydrophobicContact CD1-SD 3.7Å; F641-M664 HydrophobicContact CE1-CE 4.47Å; F641-M664 HydrophobicContact CE1-SD 4.47Å; F641-M664 HydrophobicContact CG-SD 4Å; Q649-M664 HydrophobicContact CB-CE 3.97Å; Q649-M664 HydrophobicContact CB-SD 4.09Å; A650-M664 WeakPolarHBondContact O-CE 3.45Å; M651-M664 HydrophobicContact CG-CB 4.32Å; M651-M664 HydrophobicContact CG-CE 3.83Å; M651-M664 HydrophobicContact CG-CG 4.21Å; M651-M664 HydrophobicContact SD-CE 3.76Å; M651-M664 HydrophobicContact SD-CG 4.04Å; M651-M664 HydrophobicContact SD-SD 4.31Å; S659-M664 WeakPolarHBondContact OG-CB 3.48Å; S659-M664 WeakPolarHBondContact OG-CG 3.33Å; A661-M664 HydrophobicContact CB-CG 4.31Å; A661-M664 PolarHBondContact O-N 2.99Å; A661-M664 VanDerWaalsContact O-N 3.17Å; M664-E684 HydrophobicContact CB-CG 3.78Å | ||
| 665 | D | 98.8 | Very high | 98.3 | Very high | 18 Ų | 18 | 19.9 Ų | 19.9 | 10% | 0.096 | 11% | 0.107 | C | C | . | . | trans | -87.9 | -43.5 | -172.5 | -55.9 | -48.9 | 0 | 0 | 0 | 111.9 | R644 V648 Q649 K685 P1024 | R644-D665 IonicContact CZ-OD1 3.52Å; R644-D665 IonicContact CZ-OD2 3.88Å; R644-D665 IonicContact NH1-OD1 2.71Å; R644-D665 PolarHBondContact NH1-OD1 2.84Å; R644-D665 IonicContact NH1-OD2 2.69Å; R644-D665 IonicContact NH2-OD1 3.78Å; R644-D665 PolarHBondContact NH2-OD1 3.43Å; R644-D665 IonicContact NH2-OD2 3.47Å; R644-D665 PolarHBondContact NH2-OD2 3.28Å; V648-D665 WeakPolarHBondContact CA-OD2 3.35Å; Q649-D665 PolarHBondContact N-OD2 2.99Å; Q649-D665 WeakPolarHBondContact O-CB 3.47Å; Q649-D665 PolarHBondContact O-N 2.89Å; D665-K685 PolarHBondContact O-N 3.25Å; D665-P1024 HydrophobicContact CB-CB 4.02Å; D665-P1024 HydrophobicContact CB-CG 3.63Å | ||
| 666 | Y | 98.9 | Very high | 98.1 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.016 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 152.6 | -174 | -68.4 | -80 | 0 | 0 | 0 | 112.4 | V648 Q649 A650 M651 E684 K685 A687 M1014 P1024 D1025 L1027 | V648-Y666 HydrophobicContact CG1-CD2 3.8Å; V648-Y666 HydrophobicContact CG1-CE2 3.97Å; Q649-Y666 PolarHBondContact O-N 3.23Å; A650-Y666 CarbonylContact C-O 3.45Å; A650-Y666 VanDerWaalsContact CA-O 3.29Å; A650-Y666 WeakPolarHBondContact CA-O 3.22Å; M651-Y666 PolarHBondContact N-O 3.39Å; Y666-E684 VanDerWaalsContact C-CB 3.49Å; Y666-K685 CarbonylContact C-O 3.59Å; Y666-K685 VanDerWaalsContact CA-O 3.29Å; Y666-K685 WeakPolarHBondContact CA-O 3.31Å; Y666-K685 HydrophobicContact CD1-CB 3.74Å; Y666-K685 HydrophobicContact CE1-CB 3.85Å; Y666-A687 HydrophobicContact CD1-CB 3.99Å; Y666-M1014 HydrophobicContact CD1-CE 4.26Å; Y666-M1014 HydrophobicContact CD2-CE 4.29Å; Y666-M1014 HydrophobicContact CD2-CG 4.15Å; Y666-M1014 HydrophobicContact CD2-SD 4.17Å; Y666-M1014 HydrophobicContact CE2-CB 4.39Å; Y666-M1014 HydrophobicContact CE2-CG 4.1Å; Y666-M1014 HydrophobicContact CG-CE 3.87Å; Y666-M1014 HydrophobicContact CG-CG 4.46Å; Y666-M1014 HydrophobicContact CG-SD 4.36Å; Y666-P1024 HydrophobicContact CE1-CB 4.42Å; Y666-P1024 HydrophobicContact CE2-CB 3.92Å; Y666-P1024 HydrophobicContact CE2-CG 4.36Å; Y666-P1024 WeakPolarHBondContact OH-CA 3.21Å; Y666-D1025 VanDerWaalsContact CE1-O 3.26Å; Y666-D1025 WeakPolarHBondContact CE1-O 3.46Å; Y666-L1027 HydrophobicContact CE1-CD1 3.9Å; Y666-L1027 HydrophobicContact CE1-CG 3.94Å |
| 667 | I | 98.9 | Very high | 98 | Very high | 5 Ų | 5 | 29.3 Ų | 29.3 | 3% | 0.026 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 118.4 | 161.6 | -175.8 | 170 | 0 | 0 | 0 | 108.4 | M651 T669 Y682 E684 K685 L686 A687 L942 | M651-I667 HydrophobicContact CB-CB 4.22Å; M651-I667 HydrophobicContact CB-CG1 4.03Å; I667-T669 PolarHBondContact O-N 3.2Å; I667-Y682 HydrophobicContact CD1-CD1 3.91Å; I667-Y682 HydrophobicContact CD1-CE1 4Å; I667-Y682 HydrophobicContact CG2-CD1 4.38Å; I667-E684 HydrophobicContact CB-CB 3.98Å; I667-E684 HydrophobicContact CB-CG 4.38Å; I667-E684 HydrophobicContact CG2-CB 3.97Å; I667-K685 PolarHBondContact N-O 3.2Å; I667-L686 HydrophobicContact CG2-CD2 3.77Å; I667-A687 PolarHBondContact O-N 3.46Å; I667-L942 HydrophobicContact CD1-CD1 3.9Å |
| 668 | I | 98.9 | Very high | 97.9 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 110.6 | 175.5 | -59.2 | 179.8 | 0 | 0 | 0 | 107.4 | A650 M651 W652 A687 M689 L1007 L1010 Y1011 M1014 | A650-I668 HydrophobicContact CB-CD1 4.31Å; A650-I668 HydrophobicContact CB-CG1 4.31Å; M651-I668 PolarHBondContact O-N 3.42Å; W652-I668 HydrophobicContact CB-CB 4.26Å; W652-I668 HydrophobicContact CB-CD1 4.15Å; W652-I668 HydrophobicContact CG-CB 4.3Å; W652-I668 HydrophobicContact CG-CD1 4.23Å; I668-A687 WeakPolarHBondContact CA-O 3.3Å; I668-M689 HydrophobicContact CG2-CG 3.81Å; I668-M689 HydrophobicContact CG2-SD 4.31Å; I668-L1007 HydrophobicContact CD1-CD1 3.86Å; I668-L1007 HydrophobicContact CG2-CD1 4.25Å; I668-L1010 HydrophobicContact CG1-CD2 4.31Å; I668-L1010 HydrophobicContact CG2-CD2 3.95Å; I668-Y1011 HydrophobicContact CD1-CE1 3.73Å; I668-M1014 HydrophobicContact CD1-CE 4.23Å; I668-M1014 HydrophobicContact CG1-CE 3.86Å |
| 669 | T | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | -162.9 | -175.4 | -170.7 | 0 | 0 | 0 | 0 | 109 | I667 S674 L686 A687 Y688 M689 | I667-T669 PolarHBondContact O-N 3.2Å; T669-S674 VanDerWaalsContact OG1-CB 3.3Å; T669-S674 WeakPolarHBondContact OG1-CB 3.39Å; T669-S674 PolarHBondContact OG1-OG 2.96Å; T669-L686 HydrophobicContact CG2-CB 4.39Å; T669-L686 HydrophobicContact CG2-CD2 4.15Å; T669-A687 PolarHBondContact N-O 3.19Å; T669-Y688 HydrophobicContact CG2-CD1 3.88Å; T669-Y688 HydrophobicContact CG2-CE1 3.88Å; T669-Y688 CarbonylContact O-C 3.37Å; T669-Y688 WeakPolarHBondContact O-CA 3.43Å; T669-M689 PolarHBondContact O-N 3.07Å |
| 670 | D | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -143.6 | 170.2 | 173.9 | 63.7 | 81.7 | 0 | 0 | 0 | 110.9 | E672 T673 S674 N691 T692 F693 S949 | D670-E672 VanDerWaalsContact C-N 3.3Å; D670-E672 PolarHBondContact O-N 3.13Å; D670-E672 WeakPolarHBondContact OD1-CA 3.32Å; D670-E672 WeakPolarHBondContact OD1-CB 3.49Å; D670-E672 PolarHBondContact OD1-N 3.11Å; D670-T673 VanDerWaalsContact CG-OG1 3.31Å; D670-T673 PolarHBondContact O-N 3.04Å; D670-T673 WeakPolarHBondContact OD1-CB 3.08Å; D670-T673 PolarHBondContact OD1-N 2.98Å; D670-T673 PolarHBondContact OD1-OG1 3.06Å; D670-T673 WeakPolarHBondContact OD2-CB 3.34Å; D670-T673 PolarHBondContact OD2-OG1 2.98Å; D670-S674 PolarHBondContact O-N 3.47Å; D670-N691 WeakPolarHBondContact CB-O 3.39Å; D670-T692 WeakPolarHBondContact OD2-CA 3.45Å; D670-T692 PolarHBondContact OD2-OG1 3.46Å; D670-F693 VanDerWaalsContact OD2-CD1 3.3Å; D670-F693 WeakPolarHBondContact OD2-CD1 3.44Å; D670-F693 PolarHBondContact OD2-N 3.38Å; D670-S949 PolarHBondContact OD1-OG 3.5Å; D670-S949 PolarHBondContact OD2-OG 3.49Å | ||
| 671 | K | 98 | Very high | 97.6 | Very high | 137 Ų | 137 | 38 Ų | 38 | 60% | 0.596 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -37.6 | -176.6 | -175.7 | -175.3 | 175.7 | -169.2 | 0 | 113.2 | P675 Y688 | K671-P675 VanDerWaalsContact O-CA 3.32Å; K671-P675 WeakPolarHBondContact O-CA 3.45Å; K671-P675 WeakPolarHBondContact O-CB 3.4Å; K671-Y688 HydrophobicContact CB-CD2 4.16Å; K671-Y688 HydrophobicContact CB-CE2 3.92Å; K671-Y688 HydrophobicContact CG-CE2 4.31Å |
| 672 | E | 98.1 | Very high | 97.7 | Very high | 62 Ų | 62 | 38.3 Ų | 38.3 | 29% | 0.29 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -40.6 | -175.5 | -58.9 | -55.1 | 138.3 | 0 | 0 | 110.7 | D670 R945 N952 | D670-E672 VanDerWaalsContact C-N 3.3Å; D670-E672 PolarHBondContact O-N 3.13Å; D670-E672 WeakPolarHBondContact OD1-CA 3.32Å; D670-E672 WeakPolarHBondContact OD1-CB 3.49Å; D670-E672 PolarHBondContact OD1-N 3.11Å; E672-R945 VanDerWaalsContact O-CZ 3.26Å; E672-R945 PolarHBondContact O-NE 2.6Å; E672-R945 PolarHBondContact O-NH2 3.26Å; E672-N952 HydrophobicContact CG-CB 4.13Å; E672-N952 WeakPolarHBondContact CG-ND2 3.29Å; E672-N952 PolarHBondContact OE2-ND2 3.23Å |
| 673 | T | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -45.3 | 178.2 | -62.8 | 0 | 0 | 0 | 0 | 112 | D670 F693 L942 R945 S949 | D670-T673 VanDerWaalsContact CG-OG1 3.31Å; D670-T673 PolarHBondContact O-N 3.04Å; D670-T673 WeakPolarHBondContact OD1-CB 3.08Å; D670-T673 PolarHBondContact OD1-N 2.98Å; D670-T673 PolarHBondContact OD1-OG1 3.06Å; D670-T673 WeakPolarHBondContact OD2-CB 3.34Å; D670-T673 PolarHBondContact OD2-OG1 2.98Å; T673-F693 HydrophobicContact CG2-CD1 4.08Å; T673-F693 HydrophobicContact CG2-CE1 3.7Å; T673-L942 HydrophobicContact CG2-CD1 4.42Å; T673-L942 HydrophobicContact CG2-CD2 3.95Å; T673-L942 HydrophobicContact CG2-CG 3.61Å; T673-R945 VanDerWaalsContact O-CD 3.31Å; T673-R945 WeakPolarHBondContact O-CD 3.45Å; T673-R945 PolarHBondContact O-NE 2.84Å; T673-S949 WeakPolarHBondContact OG1-CB 3.37Å; T673-S949 PolarHBondContact OG1-OG 3Å |
| 674 | S | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -133.1 | 72.5 | -173.8 | -61.6 | 0 | 0 | 0 | 0 | 110.6 | T669 D670 Y682 Y688 | T669-S674 VanDerWaalsContact OG1-CB 3.3Å; T669-S674 WeakPolarHBondContact OG1-CB 3.39Å; T669-S674 PolarHBondContact OG1-OG 2.96Å; D670-S674 PolarHBondContact O-N 3.47Å; S674-Y682 PolarHBondContact OG-OH 3.42Å; S674-Y688 PolarHBondContact O-OH 3.22Å |
| 675 | P | 97.3 | Very high | 97.8 | Very high | 22 Ų | 22 | 38.8 Ų | 38.8 | 14% | 0.143 | 20% | 0.195 | C | C | . | . | trans | -62.9 | 152.9 | -179.2 | 26.6 | -32.6 | 0 | 0 | 0 | 111.3 | K671 E677 V678 | K671-P675 VanDerWaalsContact O-CA 3.32Å; K671-P675 WeakPolarHBondContact O-CA 3.45Å; K671-P675 WeakPolarHBondContact O-CB 3.4Å; P675-E677 VanDerWaalsContact CB-OE2 3.28Å; P675-E677 WeakPolarHBondContact CB-OE2 3.34Å; P675-E677 PolarHBondContact O-N 2.97Å; P675-V678 HydrophobicContact CG-CG2 3.88Å; P675-V678 WeakPolarHBondContact O-CG2 3.39Å; P675-V678 PolarHBondContact O-N 3.28Å; P675-V678 VanDerWaalsContact O-N 3.11Å | ||
| 676 | V | 95.6 | Very high | 97.8 | Very high | 75 Ų | 75 | 37.9 Ų | 37.9 | 46% | 0.455 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -63.5 | -28.9 | -169.7 | 179 | 0 | 0 | 0 | 0 | 111.6 | V678 A679 Y688 V1028 | V676-V678 PolarHBondContact O-N 3.29Å; V676-A679 WeakPolarHBondContact O-CB 3.44Å; V676-A679 PolarHBondContact O-N 3.48Å; V676-Y688 HydrophobicContact CG2-CE2 4.31Å; V676-Y688 WeakPolarHBondContact CG2-OH 3.37Å; V676-Y688 PolarHBondContact N-OH 3.05Å; V676-V1028 HydrophobicContact CG2-CB 4.45Å; V676-V1028 HydrophobicContact CG2-CG1 4.19Å |
| 677 | E | 95.5 | Very high | 97.8 | Very high | 159 Ų | 159 | 37.7 Ų | 37.7 | 74% | 0.743 | 19% | 0.189 | S | C | * | . | G | 310 helix | trans | -58.8 | -26.6 | 178.8 | -62.1 | 78.1 | -175 | 0 | 0 | 112.5 | P675 | P675-E677 VanDerWaalsContact CB-OE2 3.28Å; P675-E677 WeakPolarHBondContact CB-OE2 3.34Å; P675-E677 PolarHBondContact O-N 2.97Å |
| 678 | V | 95.6 | Very high | 97.7 | Very high | 31 Ų | 31 | 38.1 Ų | 38.1 | 19% | 0.188 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -109.8 | 17.5 | 178.3 | -61.2 | 0 | 0 | 0 | 0 | 112.3 | P675 V676 E680 Q681 | P675-V678 HydrophobicContact CG-CG2 3.88Å; P675-V678 WeakPolarHBondContact O-CG2 3.39Å; P675-V678 PolarHBondContact O-N 3.28Å; P675-V678 VanDerWaalsContact O-N 3.11Å; V676-V678 PolarHBondContact O-N 3.29Å; V678-E680 PolarHBondContact O-N 3.04Å; V678-Q681 VanDerWaalsContact O-CG 3.23Å; V678-Q681 WeakPolarHBondContact O-CG 3.44Å; V678-Q681 PolarHBondContact O-N 3.33Å; V678-Q681 VanDerWaalsContact O-N 3.07Å |
| 679 | A | 96.7 | Very high | 97.7 | Very high | 18 Ų | 18 | 38.2 Ų | 38.2 | 15% | 0.149 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -55.9 | -28 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V676 Q681 Y682 L686 | V676-A679 WeakPolarHBondContact O-CB 3.44Å; V676-A679 PolarHBondContact O-N 3.48Å; A679-Q681 PolarHBondContact O-N 2.9Å; A679-Y682 PolarHBondContact O-N 2.9Å; A679-Y682 VanDerWaalsContact O-N 3.13Å; A679-L686 HydrophobicContact CB-CD1 3.83Å; A679-L686 HydrophobicContact CB-CG 4.42Å |
| 680 | E | 95.1 | Very high | 97.6 | Very high | 150 Ų | 150 | 40.3 Ų | 40.3 | 70% | 0.701 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -61.9 | -22.8 | 178.2 | 62 | 175.4 | -162.6 | 0 | 0 | 114.5 | K511 V678 Y682 | K511-E680 WeakPolarHBondContact CD-O 3.33Å; K511-E680 PolarHBondContact NZ-O 3.17Å; V678-E680 PolarHBondContact O-N 3.04Å; E680-Y682 PolarHBondContact O-N 3.38Å |
| 681 | Q | 97.1 | Very high | 97.5 | Very high | 15 Ų | 15 | 43.7 Ų | 43.7 | 7% | 0.07 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -70.4 | -11.6 | 177.3 | 83.9 | -178.5 | -57.1 | 0 | 0 | 112.9 | H507 T658 V678 A679 E940 | H507-Q681 HydrophobicContact CB-CB 3.73Å; H507-Q681 PolarHBondContact CE1-OE1 3.2Å; H507-Q681 VanDerWaalsContact CE1-OE1 3.32Å; H507-Q681 PolarHBondContact ND1-OE1 3.03Å; T658-Q681 WeakPolarHBondContact CG2-O 3.43Å; V678-Q681 VanDerWaalsContact O-CG 3.23Å; V678-Q681 WeakPolarHBondContact O-CG 3.44Å; V678-Q681 PolarHBondContact O-N 3.33Å; V678-Q681 VanDerWaalsContact O-N 3.07Å; A679-Q681 PolarHBondContact O-N 2.9Å; Q681-E940 PolarHBondContact NE2-O 3.19Å |
| 682 | Y | 98.6 | Very high | 97.6 | Very high | 8 Ų | 8 | 37.4 Ų | 37.4 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | trans | -106.9 | 147.1 | 179 | -52.5 | -82.3 | 0 | 0 | 0 | 110.9 | K511 I667 S674 A679 E680 L686 L942 | K511-Y682 PolarHBondContact NZ-O 3.34Å; I667-Y682 HydrophobicContact CD1-CD1 3.91Å; I667-Y682 HydrophobicContact CD1-CE1 4Å; I667-Y682 HydrophobicContact CG2-CD1 4.38Å; S674-Y682 PolarHBondContact OG-OH 3.42Å; A679-Y682 PolarHBondContact O-N 2.9Å; A679-Y682 VanDerWaalsContact O-N 3.13Å; E680-Y682 PolarHBondContact O-N 3.38Å; Y682-L686 HydrophobicContact CD2-CD2 3.61Å; Y682-L686 HydrophobicContact CE2-CD2 4.01Å; Y682-L686 HydrophobicContact CG-CD2 4.03Å; Y682-L942 HydrophobicContact CE1-CB 4.4Å; Y682-L942 HydrophobicContact CE1-CD1 3.94Å; Y682-L942 WeakPolarHBondContact OH-CB 3.44Å | ||
| 683 | S | 98.3 | Very high | 97.6 | Very high | 40 Ų | 40 | 34.8 Ų | 34.8 | 28% | 0.28 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -82.6 | -34.1 | 167.4 | 43.6 | 0 | 0 | 0 | 0 | 111.3 | T658 G660 A661 | T658-S683 PolarHBondContact OG1-N 3.04Å; T658-S683 VanDerWaalsContact OG1-N 3.11Å; T658-S683 PolarHBondContact OG1-OG 2.94Å; T658-S683 VanDerWaalsContact OG1-OG 3.11Å; G660-S683 VanDerWaalsContact C-OG 3.3Å; G660-S683 WeakPolarHBondContact CA-OG 3.37Å; G660-S683 PolarHBondContact N-OG 2.8Å; A661-S683 PolarHBondContact N-OG 3.49Å |
| 684 | E | 98.8 | Very high | 97.6 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.019 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -79.8 | 161.1 | -176.8 | -54 | 89.2 | 153.3 | 0 | 0 | 111.2 | M651 T658 S659 M664 Y666 I667 | M651-E684 HydrophobicContact CG-CG 4.4Å; M651-E684 WeakPolarHBondContact CG-OE1 3.25Å; T658-E684 PolarHBondContact OG1-OE2 3.49Å; S659-E684 WeakPolarHBondContact CA-OE1 3.47Å; S659-E684 WeakPolarHBondContact CB-OE1 3.37Å; S659-E684 PolarHBondContact N-OE1 2.75Å; S659-E684 PolarHBondContact OG-OE1 2.99Å; M664-E684 HydrophobicContact CB-CG 3.78Å; Y666-E684 VanDerWaalsContact C-CB 3.49Å; I667-E684 HydrophobicContact CB-CB 3.98Å; I667-E684 HydrophobicContact CB-CG 4.38Å; I667-E684 HydrophobicContact CG2-CB 3.97Å |
| 685 | K | 98.7 | Very high | 97.6 | Very high | 64 Ų | 64 | 35.1 Ų | 35.1 | 28% | 0.278 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 134.8 | 170.3 | -60.5 | -62 | -173.9 | 166.9 | 0 | 110.6 | D665 Y666 I667 A687 P1024 D1025 | D665-K685 PolarHBondContact O-N 3.25Å; Y666-K685 CarbonylContact C-O 3.59Å; Y666-K685 VanDerWaalsContact CA-O 3.29Å; Y666-K685 WeakPolarHBondContact CA-O 3.31Å; Y666-K685 HydrophobicContact CD1-CB 3.74Å; Y666-K685 HydrophobicContact CE1-CB 3.85Å; I667-K685 PolarHBondContact N-O 3.2Å; K685-A687 PolarHBondContact O-N 3.32Å; K685-P1024 WeakPolarHBondContact CE-O 3.47Å; K685-P1024 HydrophobicContact CG-CB 4.07Å; K685-D1025 IonicContact NZ-OD1 3.88Å; K685-D1025 PolarHBondContact NZ-OD1 3.4Å |
| 686 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 127 | 177.8 | -53.9 | -176.9 | 0 | 0 | 0 | 109.8 | I667 T669 A679 Y682 Y688 H1026 L1027 V1028 | I667-L686 HydrophobicContact CG2-CD2 3.77Å; T669-L686 HydrophobicContact CG2-CB 4.39Å; T669-L686 HydrophobicContact CG2-CD2 4.15Å; A679-L686 HydrophobicContact CB-CD1 3.83Å; A679-L686 HydrophobicContact CB-CG 4.42Å; Y682-L686 HydrophobicContact CD2-CD2 3.61Å; Y682-L686 HydrophobicContact CE2-CD2 4.01Å; Y682-L686 HydrophobicContact CG-CD2 4.03Å; L686-Y688 HydrophobicContact CB-CD1 4.26Å; L686-Y688 HydrophobicContact CB-CE1 3.76Å; L686-Y688 HydrophobicContact CD1-CE1 3.98Å; L686-Y688 HydrophobicContact CG-CE1 4.44Å; L686-H1026 PolarHBondContact N-ND1 3.36Å; L686-L1027 PolarHBondContact O-N 3.35Å; L686-V1028 HydrophobicContact CB-CG1 4.21Å |
| 687 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 109.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y666 I667 I668 T669 K685 L1010 M1014 L1027 | Y666-A687 HydrophobicContact CD1-CB 3.99Å; I667-A687 PolarHBondContact O-N 3.46Å; I668-A687 WeakPolarHBondContact CA-O 3.3Å; T669-A687 PolarHBondContact N-O 3.19Å; K685-A687 PolarHBondContact O-N 3.32Å; A687-L1010 HydrophobicContact CB-CD1 4.09Å; A687-L1010 HydrophobicContact CB-CD2 4.06Å; A687-L1010 HydrophobicContact CB-CG 4.37Å; A687-M1014 HydrophobicContact CB-CE 3.33Å; A687-L1027 HydrophobicContact CB-CB 4.5Å |
| 688 | Y | 98.7 | Very high | 97.9 | Very high | 13 Ų | 13 | 23 Ų | 23 | 5% | 0.051 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 121.6 | -168.6 | -73.9 | -3 | 0 | 0 | 0 | 113.5 | T669 K671 S674 V676 L686 L1027 V1028 | T669-Y688 HydrophobicContact CG2-CD1 3.88Å; T669-Y688 HydrophobicContact CG2-CE1 3.88Å; T669-Y688 CarbonylContact O-C 3.37Å; T669-Y688 WeakPolarHBondContact O-CA 3.43Å; K671-Y688 HydrophobicContact CB-CD2 4.16Å; K671-Y688 HydrophobicContact CB-CE2 3.92Å; K671-Y688 HydrophobicContact CG-CE2 4.31Å; S674-Y688 PolarHBondContact O-OH 3.22Å; V676-Y688 HydrophobicContact CG2-CE2 4.31Å; V676-Y688 WeakPolarHBondContact CG2-OH 3.37Å; V676-Y688 PolarHBondContact N-OH 3.05Å; L686-Y688 HydrophobicContact CB-CD1 4.26Å; L686-Y688 HydrophobicContact CB-CE1 3.76Å; L686-Y688 HydrophobicContact CD1-CE1 3.98Å; L686-Y688 HydrophobicContact CG-CE1 4.44Å; Y688-L1027 PolarHBondContact N-O 3.14Å; Y688-V1028 HydrophobicContact CD1-CG1 4.24Å; Y688-V1028 HydrophobicContact CD2-CB 3.78Å; Y688-V1028 HydrophobicContact CD2-CG1 3.85Å; Y688-V1028 HydrophobicContact CE1-CG1 3.98Å; Y688-V1028 HydrophobicContact CE2-CB 3.67Å; Y688-V1028 HydrophobicContact CE2-CG1 3.56Å; Y688-V1028 HydrophobicContact CG-CB 4.43Å; Y688-V1028 HydrophobicContact CG-CG1 4.17Å |
| 689 | M | 98.6 | Very high | 98 | Very high | 5 Ų | 5 | 22.8 Ų | 22.8 | 3% | 0.025 | 12% | 0.123 | C | C | . | . | trans | -65.7 | 146.2 | 153.5 | -67.9 | -62.1 | -73.5 | 0 | 0 | 109.7 | I668 T669 N691 F693 Y1003 D1006 L1007 L1010 | I668-M689 HydrophobicContact CG2-CG 3.81Å; I668-M689 HydrophobicContact CG2-SD 4.31Å; T669-M689 PolarHBondContact O-N 3.07Å; M689-N691 VanDerWaalsContact C-N 3.33Å; M689-N691 PolarHBondContact O-N 2.89Å; M689-F693 HydrophobicContact CG-CB 4.34Å; M689-Y1003 HydrophobicContact CE-CD1 4.18Å; M689-Y1003 HydrophobicContact CE-CD2 3.87Å; M689-Y1003 HydrophobicContact CE-CE1 3.97Å; M689-Y1003 HydrophobicContact CE-CE2 3.69Å; M689-Y1003 HydrophobicContact CE-CG 4.12Å; M689-D1006 HydrophobicContact CE-CB 3.96Å; M689-L1007 HydrophobicContact CE-CB 4Å; M689-L1007 HydrophobicContact SD-CB 4.18Å; M689-L1007 HydrophobicContact SD-CD1 3.94Å; M689-L1010 HydrophobicContact CG-CD2 4.47Å; M689-L1010 HydrophobicContact SD-CD2 3.99Å | ||
| 690 | P | 97.1 | Very high | 98.1 | Very high | 44 Ų | 44 | 25.5 Ų | 25.5 | 29% | 0.286 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -71 | -23.8 | -171.7 | 25.6 | -33.9 | 0 | 0 | 0 | 115.5 | D1006 H1030 | P690-D1006 HydrophobicContact CG-CB 3.73Å; P690-H1030 WeakPolarHBondContact CA-CE1 3.42Å; P690-H1030 WeakPolarHBondContact CA-NE2 3.4Å |
| 691 | N | 96.8 | Very high | 98.2 | Very high | 70 Ų | 70 | 18.6 Ų | 18.6 | 37% | 0.374 | 10% | 0.103 | S | C | . | . | S | Bend | trans | -116.3 | -87.7 | 178.4 | -59.1 | -71.9 | 0 | 0 | 0 | 109.2 | D670 M689 C953 | D670-N691 WeakPolarHBondContact CB-O 3.39Å; M689-N691 VanDerWaalsContact C-N 3.33Å; M689-N691 PolarHBondContact O-N 2.89Å; N691-C953 HydrophobicContact CB-CB 4.29Å |
| 692 | T | 98.6 | Very high | 98.3 | Very high | 6 Ų | 6 | 18 Ų | 18 | 4% | 0.037 | 10% | 0.1 | C | C | . | . | trans | -124.9 | 149.6 | 173.2 | -178.7 | 0 | 0 | 0 | 0 | 109.6 | D670 F694 S949 C953 L997 | D670-T692 WeakPolarHBondContact OD2-CA 3.45Å; D670-T692 PolarHBondContact OD2-OG1 3.46Å; T692-F694 HydrophobicContact CG2-CB 4.49Å; T692-F694 WeakPolarHBondContact CG2-O 3.4Å; T692-F694 PolarHBondContact O-N 3.1Å; T692-F694 PolarHBondContact OG1-N 3.32Å; T692-F694 VanDerWaalsContact OG1-N 3.16Å; T692-S949 WeakPolarHBondContact CB-OG 3.32Å; T692-S949 PolarHBondContact OG1-OG 2.9Å; T692-C953 HydrophobicContact CG2-CB 3.64Å; T692-L997 HydrophobicContact CG2-CD1 3.84Å | ||
| 693 | F | 98.6 | Very high | 98.3 | Very high | 6 Ų | 6 | 19.1 Ų | 19.1 | 3% | 0.026 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -73.4 | -15.8 | 169.4 | 91 | -73.2 | 0 | 0 | 0 | 112.4 | D670 T673 M689 L942 V946 Y1003 | D670-F693 VanDerWaalsContact OD2-CD1 3.3Å; D670-F693 WeakPolarHBondContact OD2-CD1 3.44Å; D670-F693 PolarHBondContact OD2-N 3.38Å; T673-F693 HydrophobicContact CG2-CD1 4.08Å; T673-F693 HydrophobicContact CG2-CE1 3.7Å; M689-F693 HydrophobicContact CG-CB 4.34Å; F693-L942 HydrophobicContact CE1-CD2 4.49Å; F693-L942 HydrophobicContact CZ-CD2 4.11Å; F693-V946 HydrophobicContact CE1-CG1 4.43Å; F693-V946 HydrophobicContact CE1-CG2 4.12Å; F693-V946 HydrophobicContact CZ-CG2 4.29Å; F693-Y1003 WeakPolarHBondContact O-CE2 3.17Å; F693-Y1003 PolarHBondContact O-OH 2.93Å |
| 694 | F | 98.4 | Very high | 98.2 | Very high | 6 Ų | 6 | 17.4 Ų | 17.4 | 3% | 0.026 | 10% | 0.096 | C | C | . | . | trans | -82.3 | 144.5 | -177.2 | -137.8 | -99.1 | 0 | 0 | 0 | 111.4 | L563 L653 T692 H921 M925 V946 Q950 | L563-F694 HydrophobicContact CD1-CE1 3.92Å; L563-F694 HydrophobicContact CD1-CZ 3.68Å; L563-F694 HydrophobicContact CD2-CE1 3.91Å; L563-F694 HydrophobicContact CD2-CZ 4.48Å; L653-F694 HydrophobicContact CD1-CD2 4.1Å; L653-F694 HydrophobicContact CD1-CE2 4.06Å; T692-F694 HydrophobicContact CG2-CB 4.49Å; T692-F694 WeakPolarHBondContact CG2-O 3.4Å; T692-F694 PolarHBondContact O-N 3.1Å; T692-F694 PolarHBondContact OG1-N 3.32Å; T692-F694 VanDerWaalsContact OG1-N 3.16Å; F694-H921 VanDerWaalsContact CE1-C 3.46Å; F694-H921 HydrophobicContact CE1-CB 4.36Å; F694-H921 WeakPolarHBondContact CE1-O 3.32Å; F694-H921 HydrophobicContact CE2-CB 3.88Å; F694-H921 HydrophobicContact CZ-CB 3.54Å; F694-M925 HydrophobicContact CD1-CG 3.5Å; F694-M925 HydrophobicContact CD1-SD 3.88Å; F694-M925 HydrophobicContact CE1-CG 3.59Å; F694-V946 HydrophobicContact CB-CG1 4.41Å; F694-V946 HydrophobicContact CD2-CG1 3.63Å; F694-V946 HydrophobicContact CE2-CG1 4.03Å; F694-V946 HydrophobicContact CG-CG1 3.94Å; F694-Q950 HydrophobicContact CB-CG 4.29Å | ||
| 695 | I | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | trans | -142.7 | 159.8 | 179.5 | -168.6 | 53.8 | 0 | 0 | 0 | 109.7 | L563 L653 T1000 Y1003 | L563-I695 WeakPolarHBondContact CB-O 3.49Å; L563-I695 WeakPolarHBondContact CD2-O 3.36Å; L653-I695 HydrophobicContact CD2-CG2 4.37Å; I695-T1000 HydrophobicContact CD1-CG2 4.1Å; I695-T1000 HydrophobicContact CG1-CG2 3.93Å; I695-Y1003 HydrophobicContact CB-CD1 4.29Å; I695-Y1003 HydrophobicContact CB-CD2 3.8Å; I695-Y1003 HydrophobicContact CB-CE1 4.28Å; I695-Y1003 HydrophobicContact CB-CE2 3.74Å; I695-Y1003 HydrophobicContact CB-CG 4.07Å; I695-Y1003 HydrophobicContact CD1-CD2 3.82Å; I695-Y1003 HydrophobicContact CD1-CG 3.82Å; I695-Y1003 HydrophobicContact CG1-CD1 4.14Å; I695-Y1003 HydrophobicContact CG1-CD2 3.95Å; I695-Y1003 HydrophobicContact CG1-CE2 4.39Å; I695-Y1003 HydrophobicContact CG1-CG 3.8Å; I695-Y1003 HydrophobicContact CG2-CE1 4.19Å; I695-Y1003 HydrophobicContact CG2-CE2 4.35Å | ||
| 696 | G | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | trans | -143.8 | 138.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L563 H698 | L563-G696 CarbonylContact O-C 3.36Å; G696-H698 WeakPolarHBondContact CA-ND1 3.29Å; G696-H698 PolarHBondContact O-N 3.41Å | ||
| 697 | D | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 12.9 | 178.4 | -161 | 51.8 | 0 | 0 | 0 | 112.8 | H562 L563 Q565 S566 A699 N700 M701 | H562-D697 VanDerWaalsContact O-CB 3.28Å; H562-D697 WeakPolarHBondContact O-CB 3.27Å; H562-D697 PolarHBondContact O-N 3.08Å; L563-D697 PolarHBondContact O-N 3.39Å; Q565-D697 VanDerWaalsContact CD-OD2 3.29Å; Q565-D697 HydrophobicContact CG-CB 4.14Å; Q565-D697 WeakPolarHBondContact CG-OD2 3.48Å; Q565-D697 PolarHBondContact NE2-OD2 2.94Å; S566-D697 WeakPolarHBondContact CB-OD1 3.29Å; S566-D697 PolarHBondContact OG-OD1 3.45Å; S566-D697 PolarHBondContact OG-OD2 3.21Å; D697-A699 PolarHBondContact O-N 2.88Å; D697-A699 VanDerWaalsContact O-N 3.11Å; D697-N700 WeakPolarHBondContact O-CA 3.28Å; D697-N700 WeakPolarHBondContact O-CB 3.33Å; D697-N700 PolarHBondContact O-N 3.2Å; D697-N700 PolarHBondContact OD2-ND2 3.39Å; D697-M701 HydrophobicContact CB-CG 4.28Å; D697-M701 HydrophobicContact CB-SD 4.22Å; D697-M701 PolarHBondContact O-N 3.35Å |
| 698 | H | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.009 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.3 | -32.4 | -174.3 | -56.5 | 67.4 | 0 | 0 | 0 | 113.6 | G696 N700 F702 M925 D926 W929 F998 | G696-H698 WeakPolarHBondContact CA-ND1 3.29Å; G696-H698 PolarHBondContact O-N 3.41Å; H698-N700 PolarHBondContact O-N 2.93Å; H698-F702 HydrophobicContact CB-CD2 4.11Å; H698-F702 AromaticContact CD2-CD2 3.99Å; H698-F702 AromaticContact CD2-CE2 3.99Å; H698-F702 CarbonylContact O-C 3.57Å; H698-F702 WeakPolarHBondContact O-CA 3.46Å; H698-F702 PolarHBondContact O-N 3.24Å; H698-M925 VanDerWaalsContact CE1-CB 3.43Å; H698-M925 WeakPolarHBondContact CE1-CB 3.39Å; H698-D926 IonicContact CD2-OD1 2.8Å; H698-D926 IonicContact CE1-OD1 2.67Å; H698-D926 IonicContact NE2-OD1 3.9Å; H698-D926 PolarHBondContact NE2-OD1 3.23Å; H698-W929 HydrophobicContact CB-CB 4.03Å; H698-W929 HydrophobicContact CB-CD2 3.46Å; H698-W929 VanDerWaalsContact CB-CD2 3.46Å; H698-W929 HydrophobicContact CB-CE3 3.91Å; H698-W929 HydrophobicContact CB-CG 3.49Å; H698-W929 VanDerWaalsContact CB-CG 3.49Å; H698-W929 WeakPolarHBondContact O-CZ2 3.49Å; H698-F998 HydrophobicContact CB-CD1 3.88Å; H698-F998 HydrophobicContact CB-CE1 3.95Å; H698-F998 AromaticContact CG-CE1 3.69Å; H698-F998 AromaticContact ND1-CD1 3.82Å; H698-F998 AromaticContact ND1-CE1 3.54Å |
| 699 | A | 97.9 | Very high | 97.6 | Very high | 26 Ų | 26 | 25.1 Ų | 25.1 | 22% | 0.215 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.8 | -25.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D697 K706 W929 | D697-A699 PolarHBondContact O-N 2.88Å; D697-A699 VanDerWaalsContact O-N 3.11Å; A699-K706 WeakPolarHBondContact O-CE 3.18Å; A699-K706 PolarHBondContact O-NZ 3.49Å; A699-K706 VanDerWaalsContact O-NZ 3.14Å; A699-W929 VanDerWaalsContact CA-CH2 3.43Å; A699-W929 HydrophobicContact CB-CH2 3.68Å; A699-W929 HydrophobicContact CB-CZ2 4.35Å; A699-W929 HydrophobicContact CB-CZ3 4.16Å |
| 700 | N | 97.8 | Very high | 97.5 | Very high | 76 Ų | 76 | 24.9 Ų | 24.9 | 41% | 0.406 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -95.5 | -44 | 175.7 | 173.1 | 64.6 | 0 | 0 | 0 | 111.8 | D697 H698 P703 | D697-N700 WeakPolarHBondContact O-CA 3.28Å; D697-N700 WeakPolarHBondContact O-CB 3.33Å; D697-N700 PolarHBondContact O-N 3.2Å; D697-N700 PolarHBondContact OD2-ND2 3.39Å; H698-N700 PolarHBondContact O-N 2.93Å; N700-P703 VanDerWaalsContact O-CD 3.3Å; N700-P703 WeakPolarHBondContact O-CD 3.47Å |
| 701 | M | 98.2 | Very high | 97.5 | Very high | 5 Ų | 5 | 23.2 Ų | 23.2 | 3% | 0.025 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -70.6 | -40.2 | -179.3 | -67.9 | 179.3 | 65.8 | 0 | 0 | 113.2 | H562 Q565 F591 D697 P703 | H562-M701 HydrophobicContact CB-CE 4.31Å; H562-M701 HydrophobicContact CB-SD 4.04Å; Q565-M701 VanDerWaalsContact NE2-CG 3.32Å; Q565-M701 PolarHBondContact NE2-SD 3.31Å; F591-M701 HydrophobicContact CE1-CE 3.53Å; F591-M701 HydrophobicContact CE1-SD 4.17Å; F591-M701 HydrophobicContact CZ-CE 3.76Å; D697-M701 HydrophobicContact CB-CG 4.28Å; D697-M701 HydrophobicContact CB-SD 4.22Å; D697-M701 PolarHBondContact O-N 3.35Å; M701-P703 WeakPolarHBondContact O-CD 3.32Å |
| 702 | F | 98.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 0% | 0.004 | 11% | 0.108 | C | C | . | . | trans | -126.7 | 52.6 | -171.3 | -44.7 | -59.8 | 0 | 0 | 0 | 113.1 | H698 H704 L705 K899 E900 V903 W929 | H698-F702 HydrophobicContact CB-CD2 4.11Å; H698-F702 AromaticContact CD2-CD2 3.99Å; H698-F702 AromaticContact CD2-CE2 3.99Å; H698-F702 CarbonylContact O-C 3.57Å; H698-F702 WeakPolarHBondContact O-CA 3.46Å; H698-F702 PolarHBondContact O-N 3.24Å; F702-H704 PolarHBondContact O-N 3.42Å; F702-L705 HydrophobicContact CB-CB 4.5Å; F702-L705 HydrophobicContact CB-CD1 3.86Å; F702-L705 HydrophobicContact CB-CG 4.04Å; F702-L705 HydrophobicContact CG-CD1 4.43Å; F702-L705 WeakPolarHBondContact O-CB 3.33Å; F702-L705 PolarHBondContact O-N 3.02Å; F702-L705 VanDerWaalsContact O-N 3.1Å; F702-K899 HydrophobicContact CZ-CG 3.92Å; F702-E900 HydrophobicContact CD1-CB 4.4Å; F702-E900 HydrophobicContact CD1-CG 4.15Å; F702-E900 HydrophobicContact CE1-CB 3.99Å; F702-E900 HydrophobicContact CE1-CG 4.25Å; F702-V903 HydrophobicContact CD2-CB 4.46Å; F702-V903 HydrophobicContact CD2-CG1 4.14Å; F702-V903 HydrophobicContact CD2-CG2 4.28Å; F702-V903 HydrophobicContact CE2-CB 4.37Å; F702-V903 HydrophobicContact CE2-CG1 4.45Å; F702-V903 HydrophobicContact CE2-CG2 3.77Å; F702-V903 HydrophobicContact CZ-CG2 4.15Å; F702-W929 PolarHBondContact O-NE1 3.14Å | ||
| 703 | P | 97.9 | Very high | 96.2 | Very high | 33 Ų | 33 | 24.5 Ų | 24.5 | 21% | 0.214 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -67.1 | -24 | -178.1 | 28.9 | -34.8 | 0 | 0 | 0 | 112.3 | N700 M701 L705 K706 I729 V814 | N700-P703 VanDerWaalsContact O-CD 3.3Å; N700-P703 WeakPolarHBondContact O-CD 3.47Å; M701-P703 WeakPolarHBondContact O-CD 3.32Å; P703-L705 PolarHBondContact O-N 3.47Å; P703-K706 HydrophobicContact CB-CD 4.45Å; P703-K706 VanDerWaalsContact O-CB 3.28Å; P703-K706 WeakPolarHBondContact O-CB 3.35Å; P703-K706 WeakPolarHBondContact O-CG 3.48Å; P703-K706 PolarHBondContact O-N 2.85Å; P703-I729 HydrophobicContact CB-CD1 4.43Å; P703-I729 HydrophobicContact CG-CD1 4.19Å; P703-V814 HydrophobicContact CG-CB 4.34Å; P703-V814 HydrophobicContact CG-CG1 3.66Å; P703-V814 HydrophobicContact CG-CG2 3.66Å |
| 704 | H | 97.4 | Very high | 94.6 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 1% | 0.014 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -63.4 | -20.6 | 173.9 | 62.9 | -64.1 | 0 | 0 | 0 | 113 | F702 G728 I729 E900 | F702-H704 PolarHBondContact O-N 3.42Å; H704-G728 PolarHBondContact O-N 2.98Å; H704-I729 HydrophobicContact CB-CD1 3.99Å; H704-I729 HydrophobicContact CB-CG1 4.3Å; H704-E900 IonicContact CD2-OE1 2.88Å; H704-E900 IonicContact CE1-OE1 3.38Å; H704-E900 IonicContact NE2-OE1 2.8Å; H704-E900 PolarHBondContact NE2-OE1 3.26Å |
| 705 | L | 97.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -86.9 | -0.6 | 175.4 | -52.8 | -174.8 | 0 | 0 | 0 | 113.2 | F702 P703 K707 N727 V903 R904 W989 R992 | F702-L705 HydrophobicContact CB-CB 4.5Å; F702-L705 HydrophobicContact CB-CD1 3.86Å; F702-L705 HydrophobicContact CB-CG 4.04Å; F702-L705 HydrophobicContact CG-CD1 4.43Å; F702-L705 WeakPolarHBondContact O-CB 3.33Å; F702-L705 PolarHBondContact O-N 3.02Å; F702-L705 VanDerWaalsContact O-N 3.1Å; P703-L705 PolarHBondContact O-N 3.47Å; L705-K707 PolarHBondContact O-N 3.37Å; L705-N727 HydrophobicContact CD2-CB 3.77Å; L705-V903 HydrophobicContact CD1-CB 4.44Å; L705-V903 HydrophobicContact CD1-CG1 3.76Å; L705-R904 HydrophobicContact CD1-CB 4.2Å; L705-R904 HydrophobicContact CD2-CB 4.1Å; L705-R904 HydrophobicContact CD2-CG 4Å; L705-W989 WeakPolarHBondContact O-CH2 3.5Å; L705-R992 PolarHBondContact O-NH1 3.23Å; L705-R992 PolarHBondContact O-NH2 3.42Å |
| 706 | K | 95.5 | Very high | 91 | Very high | 88 Ų | 88 | 41 Ų | 41 | 38% | 0.383 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -65.2 | -25.2 | 174.9 | -71.3 | 179.1 | -178.6 | 172.3 | 0 | 112.6 | A699 P703 W929 W989 R992 I993 | A699-K706 WeakPolarHBondContact O-CE 3.18Å; A699-K706 PolarHBondContact O-NZ 3.49Å; A699-K706 VanDerWaalsContact O-NZ 3.14Å; P703-K706 HydrophobicContact CB-CD 4.45Å; P703-K706 VanDerWaalsContact O-CB 3.28Å; P703-K706 WeakPolarHBondContact O-CB 3.35Å; P703-K706 WeakPolarHBondContact O-CG 3.48Å; P703-K706 PolarHBondContact O-N 2.85Å; K706-W929 HydrophobicContact CG-CH2 4.06Å; K706-W929 HydrophobicContact CG-CZ2 3.85Å; K706-W989 WeakPolarHBondContact O-CZ2 3.45Å; K706-R992 PolarHBondContact O-NH2 2.97Å; K706-I993 HydrophobicContact CG-CD1 4.15Å |
| 707 | K | 94 | Very high | 89.5 | Confident | 145 Ų | 145 | 44.2 Ų | 44.2 | 63% | 0.63 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -129.4 | 150.8 | 177.1 | -65.3 | -177.9 | -177.6 | 177 | 0 | 109.5 | L705 N727 | L705-K707 PolarHBondContact O-N 3.37Å; K707-N727 PolarHBondContact O-ND2 3.47Å |
| 708 | K | 96.3 | Very high | 88.5 | Confident | 10 Ų | 10 | 50.6 Ų | 50.6 | 4% | 0.043 | 27% | 0.266 | C | S | . | . | trans | -139.1 | 152.9 | 173.1 | 68.9 | 178.5 | 178.7 | 173.6 | 0 | 110.7 | D721 V725 L726 P766 W989 | K708-D721 PolarHBondContact NZ-O 3.14Å; K708-D721 IonicContact NZ-OD2 2.92Å; K708-D721 PolarHBondContact NZ-OD2 3.14Å; K708-V725 HydrophobicContact CB-CG1 3.9Å; K708-V725 HydrophobicContact CD-CG1 4.19Å; K708-L726 VanDerWaalsContact CA-O 3.31Å; K708-L726 WeakPolarHBondContact CA-O 3.36Å; K708-P766 WeakPolarHBondContact O-CD 3.5Å; K708-W989 HydrophobicContact CB-CH2 3.97Å; K708-W989 HydrophobicContact CB-CZ2 4.29Å; K708-W989 HydrophobicContact CD-CH2 3.79Å; K708-W989 HydrophobicContact CD-CZ2 4.26Å; K708-W989 HydrophobicContact CD-CZ3 4Å; K708-W989 HydrophobicContact CG-CH2 3.72Å; K708-W989 HydrophobicContact CG-CZ2 3.82Å; K708-W989 HydrophobicContact CG-CZ3 4.42Å | ||
| 709 | A | 97.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 162.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | V725 L726 L731 L735 P766 | A709-V725 WeakPolarHBondContact O-CA 3.22Å; A709-L726 HydrophobicContact CB-CB 4.42Å; A709-L726 PolarHBondContact N-O 2.98Å; A709-L726 PolarHBondContact O-N 3.2Å; A709-L731 HydrophobicContact CB-CD1 4.21Å; A709-L731 HydrophobicContact CB-CD2 4.17Å; A709-L735 HydrophobicContact CB-CD1 4Å; A709-L735 HydrophobicContact CB-CD2 3.89Å; A709-L735 HydrophobicContact CB-CG 4.47Å; A709-P766 WeakPolarHBondContact CA-O 3.3Å; A709-P766 HydrophobicContact CB-CB 4.01Å; A709-P766 HydrophobicContact CB-CG 4.46Å |
| 710 | V | 96.9 | Very high | 87.6 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 156.3 | 179.6 | -62.7 | 0 | 0 | 0 | 0 | 112.2 | I719 I724 V725 M765 P766 V767 I768 | V710-I719 HydrophobicContact CG2-CG2 4.35Å; V710-I724 VanDerWaalsContact CA-O 3.23Å; V710-I724 WeakPolarHBondContact CA-O 3.39Å; V710-I724 WeakPolarHBondContact CB-O 3.45Å; V710-V725 HydrophobicContact CG1-CG2 4.47Å; V710-M765 HydrophobicContact CG1-SD 3.93Å; V710-M765 HydrophobicContact CG2-CE 3.71Å; V710-M765 HydrophobicContact CG2-CG 4.39Å; V710-M765 HydrophobicContact CG2-SD 4.04Å; V710-P766 PolarHBondContact N-O 3.15Å; V710-V767 HydrophobicContact CG2-CB 4.37Å; V710-V767 HydrophobicContact CG2-CG1 4.28Å; V710-V767 HydrophobicContact CG2-CG2 3.89Å; V710-V767 CarbonylContact O-C 3.49Å; V710-V767 WeakPolarHBondContact O-CA 3.47Å; V710-I768 PolarHBondContact O-N 2.95Å |
| 711 | I | 95.3 | Very high | 87.4 | Confident | 8 Ų | 8 | 53.7 Ų | 53.7 | 4% | 0.041 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 130.2 | 169.8 | -67.9 | 172.8 | 0 | 0 | 0 | 109.2 | F713 I724 L726 I768 M770 A774 I777 I778 | I711-F713 PolarHBondContact O-N 3.31Å; I711-F713 VanDerWaalsContact O-N 3.14Å; I711-I724 HydrophobicContact CB-CB 4.1Å; I711-I724 HydrophobicContact CB-CD1 4.39Å; I711-I724 HydrophobicContact CB-CG2 3.87Å; I711-I724 HydrophobicContact CD1-CG2 3.78Å; I711-I724 HydrophobicContact CG1-CG2 4.06Å; I711-I724 HydrophobicContact CG2-CD1 4.41Å; I711-I724 PolarHBondContact N-O 3.02Å; I711-L726 HydrophobicContact CD1-CD1 4Å; I711-L726 HydrophobicContact CG1-CD1 3.84Å; I711-I768 HydrophobicContact CG1-CB 4.1Å; I711-I768 HydrophobicContact CG1-CD1 4.23Å; I711-M770 HydrophobicContact CG2-CE 3.78Å; I711-A774 HydrophobicContact CD1-CB 4.24Å; I711-A774 HydrophobicContact CG1-CB 4.44Å; I711-A774 HydrophobicContact CG2-CB 3.73Å; I711-I777 HydrophobicContact CD1-CB 4.02Å; I711-I777 HydrophobicContact CD1-CD1 3.96Å; I711-I777 HydrophobicContact CD1-CG2 3.78Å; I711-I778 HydrophobicContact CG2-CD1 4.32Å |
| 712 | D | 89.8 | Confident | 87.3 | Confident | 33 Ų | 33 | 53.5 Ų | 53.5 | 18% | 0.176 | 27% | 0.274 | C | S | . | . | trans | -78.4 | 89.3 | 175.7 | -173 | 8.2 | 0 | 0 | 0 | 110.7 | S715 V767 I768 M770 | D712-S715 WeakPolarHBondContact OD1-CB 3.4Å; D712-S715 PolarHBondContact OD1-OG 3.05Å; D712-V767 HydrophobicContact CB-CG1 3.8Å; D712-I768 PolarHBondContact N-O 3.48Å; D712-M770 WeakPolarHBondContact O-CE 3.04Å | ||
| 713 | F | 78.6 | Confident | 87.2 | Confident | 71 Ų | 71 | 54.5 Ų | 54.5 | 31% | 0.311 | 28% | 0.278 | S | S | . | . | trans | -112.9 | 123.9 | -179.4 | -178.6 | -106.8 | 0 | 0 | 0 | 111.5 | I711 S715 I724 M770 I778 | I711-F713 PolarHBondContact O-N 3.31Å; I711-F713 VanDerWaalsContact O-N 3.14Å; F713-S715 VanDerWaalsContact C-N 3.26Å; F713-S715 PolarHBondContact O-N 3.38Å; F713-I724 HydrophobicContact CB-CD1 3.78Å; F713-I724 HydrophobicContact CD1-CD1 4.4Å; F713-I724 HydrophobicContact CG-CD1 4.16Å; F713-M770 HydrophobicContact CB-CE 3.75Å; F713-M770 HydrophobicContact CD2-CE 3.53Å; F713-M770 HydrophobicContact CD2-SD 4.39Å; F713-M770 HydrophobicContact CG-CE 4.13Å; F713-I778 HydrophobicContact CD2-CD1 3.63Å; F713-I778 HydrophobicContact CE2-CD1 4.05Å; F713-I778 HydrophobicContact CG-CD1 4.27Å | ||
| 714 | K | 64.9 | Low | 87.2 | Confident | 171 Ų | 171 | 53.3 Ų | 53.3 | 74% | 0.743 | 27% | 0.27 | S | S | * | . | S | Bend | trans | 51.6 | 39.2 | 175 | -63.8 | -177 | 176.9 | 174.6 | 0 | 114.1 | N716 | K714-N716 PolarHBondContact O-N 3.4Š|
| 715 | S | 60.4 | Low | 87.2 | Confident | 22 Ų | 22 | 53.2 Ų | 53.2 | 15% | 0.154 | 27% | 0.269 | C | S | . | . | trans | -73.1 | -19.9 | -170.1 | 44.4 | 0 | 0 | 0 | 0 | 116.1 | D712 F713 G717 H718 | D712-S715 WeakPolarHBondContact OD1-CB 3.4Å; D712-S715 PolarHBondContact OD1-OG 3.05Å; F713-S715 VanDerWaalsContact C-N 3.26Å; F713-S715 PolarHBondContact O-N 3.38Å; S715-G717 PolarHBondContact O-N 2.97Å; S715-H718 WeakPolarHBondContact CB-O 3.33Å; S715-H718 WeakPolarHBondContact O-CB 3.46Å; S715-H718 PolarHBondContact O-N 3.32Å | ||
| 716 | N | 61.2 | Low | 87.2 | Confident | 165 Ų | 165 | 53.2 Ų | 53.2 | 88% | 0.882 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45 | 30.3 | -166.8 | -71.2 | -11.5 | 0 | 0 | 0 | 112.7 | K714 | K714-N716 PolarHBondContact O-N 3.4Š|
| 717 | G | 66.2 | Low | 87.4 | Confident | 69 Ų | 69 | 49 Ų | 49 | 71% | 0.711 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.1 | -6.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | S715 | S715-G717 PolarHBondContact O-N 2.97Š|
| 718 | H | 77.6 | Confident | 87.5 | Confident | 133 Ų | 133 | 42.4 Ų | 42.4 | 62% | 0.616 | 22% | 0.224 | S | C | * | . | trans | -101.3 | 117.5 | 177.8 | -66.6 | -72 | 0 | 0 | 0 | 113.1 | S715 F720 | S715-H718 WeakPolarHBondContact CB-O 3.33Å; S715-H718 WeakPolarHBondContact O-CB 3.46Å; S715-H718 PolarHBondContact O-N 3.32Å; H718-F720 HydrophobicContact CB-CE2 4.36Å; H718-F720 HydrophobicContact CB-CZ 4.22Å; H718-F720 WeakPolarHBondContact O-CD2 3.43Å | ||
| 719 | I | 86 | Confident | 87.4 | Confident | 63 Ų | 63 | 46.2 Ų | 46.2 | 32% | 0.323 | 24% | 0.244 | S | C | . | . | trans | -91.6 | 115.5 | 179.8 | -61.6 | 170 | 0 | 0 | 0 | 109.7 | V710 I744 M765 V767 | V710-I719 HydrophobicContact CG2-CG2 4.35Å; I719-I744 HydrophobicContact CB-CD1 3.84Å; I719-I744 HydrophobicContact CD1-CD1 3.48Å; I719-I744 VanDerWaalsContact CD1-CD1 3.48Å; I719-I744 HydrophobicContact CG1-CD1 4.22Å; I719-I744 HydrophobicContact CG2-CD1 3.6Å; I719-M765 HydrophobicContact CG2-CE 4.18Å; I719-V767 HydrophobicContact CD1-CG1 4.4Å; I719-V767 HydrophobicContact CG2-CG1 4.05Å; I719-V767 HydrophobicContact CG2-CG2 3.81Å | ||
| 720 | F | 91.6 | Very high | 87.3 | Confident | 79 Ų | 79 | 50.3 Ų | 50.3 | 35% | 0.346 | 27% | 0.265 | S | S | . | . | trans | -91.6 | 146.6 | 179.3 | -59.3 | -78.8 | 0 | 0 | 0 | 112 | H718 R723 | H718-F720 HydrophobicContact CB-CE2 4.36Å; H718-F720 HydrophobicContact CB-CZ 4.22Å; H718-F720 WeakPolarHBondContact O-CD2 3.43Å; F720-R723 HydrophobicContact CB-CB 4.45Å; F720-R723 HydrophobicContact CB-CG 3.43Å; F720-R723 VanDerWaalsContact CB-CG 3.43Å; F720-R723 HydrophobicContact CD2-CG 4.06Å; F720-R723 HydrophobicContact CG-CG 3.81Å | ||
| 721 | D | 94.1 | Very high | 87.2 | Confident | 27 Ų | 27 | 50.5 Ų | 50.5 | 14% | 0.144 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -98 | 2.8 | -175.2 | 82.5 | -45.8 | 0 | 0 | 0 | 114.3 | K708 M765 R985 | K708-D721 PolarHBondContact NZ-O 3.14Å; K708-D721 IonicContact NZ-OD2 2.92Å; K708-D721 PolarHBondContact NZ-OD2 3.14Å; D721-M765 HydrophobicContact CB-CE 3.92Å; D721-M765 HydrophobicContact CB-SD 3.56Å; D721-M765 VanDerWaalsContact CB-SD 3.56Å; D721-R985 IonicContact OD1-CZ 3.26Å; D721-R985 IonicContact OD1-NE 2.87Å; D721-R985 PolarHBondContact OD1-NE 3.16Å; D721-R985 IonicContact OD1-NH2 3.44Å; D721-R985 PolarHBondContact OD1-NH2 3.47Å; D721-R985 IonicContact OD2-CZ 3.39Å; D721-R985 IonicContact OD2-NE 3.18Å; D721-R985 PolarHBondContact OD2-NE 2.94Å; D721-R985 VanDerWaalsContact OD2-NE 3.1Å; D721-R985 IonicContact OD2-NH2 3.02Å; D721-R985 PolarHBondContact OD2-NH2 3.4Å |
| 722 | N | 96.6 | Very high | 87.2 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -149.8 | 19.2 | -164.6 | 62.5 | -8.7 | 0 | 0 | 0 | 115.3 | R823 Q907 L908 A909 D910 | N722-R823 PolarHBondContact ND2-NH2 3.5Å; N722-Q907 WeakPolarHBondContact CB-O 3.36Å; N722-L908 WeakPolarHBondContact O-CA 3.23Å; N722-L908 WeakPolarHBondContact O-CD2 3.43Å; N722-A909 PolarHBondContact ND2-O 3.4Å; N722-D910 PolarHBondContact ND2-OD1 3.09Å |
| 723 | R | 95.7 | Very high | 87.5 | Confident | 22 Ų | 22 | 56.9 Ų | 56.9 | 8% | 0.083 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -95.2 | -55.7 | 179.7 | -56.5 | -54.4 | -165.8 | -117 | 14.3 | 112.6 | F720 T822 R823 E830 S832 D910 | F720-R723 HydrophobicContact CB-CB 4.45Å; F720-R723 HydrophobicContact CB-CG 3.43Å; F720-R723 VanDerWaalsContact CB-CG 3.43Å; F720-R723 HydrophobicContact CD2-CG 4.06Å; F720-R723 HydrophobicContact CG-CG 3.81Å; R723-T822 CarbonylContact O-C 3.6Å; R723-T822 WeakPolarHBondContact O-CA 3.47Å; R723-R823 VanDerWaalsContact CZ-CZ 3.4Å; R723-R823 PolarHBondContact O-N 3.28Å; R723-E830 PolarHBondContact NE-O 3.14Å; R723-E830 PolarHBondContact NH2-O 2.68Å; R723-S832 PolarHBondContact NH2-O 3.38Å; R723-D910 IonicContact NH1-OD1 2.77Å; R723-D910 IonicContact NH1-OD2 3.99Å |
| 724 | I | 97.4 | Very high | 88.3 | Confident | 9 Ų | 9 | 53.5 Ų | 53.5 | 5% | 0.046 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 106.1 | 173.8 | -58.9 | 171.7 | 0 | 0 | 0 | 106.3 | V710 I711 F713 L726 I778 V820 T822 | V710-I724 VanDerWaalsContact CA-O 3.23Å; V710-I724 WeakPolarHBondContact CA-O 3.39Å; V710-I724 WeakPolarHBondContact CB-O 3.45Å; I711-I724 HydrophobicContact CB-CB 4.1Å; I711-I724 HydrophobicContact CB-CD1 4.39Å; I711-I724 HydrophobicContact CB-CG2 3.87Å; I711-I724 HydrophobicContact CD1-CG2 3.78Å; I711-I724 HydrophobicContact CG1-CG2 4.06Å; I711-I724 HydrophobicContact CG2-CD1 4.41Å; I711-I724 PolarHBondContact N-O 3.02Å; F713-I724 HydrophobicContact CB-CD1 3.78Å; F713-I724 HydrophobicContact CD1-CD1 4.4Å; F713-I724 HydrophobicContact CG-CD1 4.16Å; I724-L726 HydrophobicContact CG2-CD1 4.41Å; I724-I778 HydrophobicContact CD1-CD1 4.19Å; I724-I778 HydrophobicContact CD1-CG1 4.09Å; I724-V820 HydrophobicContact CG2-CG1 4.17Å; I724-T822 HydrophobicContact CB-CG2 4.33Å; I724-T822 HydrophobicContact CG1-CG2 4.06Å; I724-T822 HydrophobicContact CG2-CG2 4.01Å |
| 725 | V | 98.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 134.7 | -170.4 | -174.3 | 0 | 0 | 0 | 0 | 109.9 | K708 A709 V710 V820 T821 L908 | K708-V725 HydrophobicContact CB-CG1 3.9Å; K708-V725 HydrophobicContact CD-CG1 4.19Å; A709-V725 WeakPolarHBondContact O-CA 3.22Å; V710-V725 HydrophobicContact CG1-CG2 4.47Å; V725-V820 WeakPolarHBondContact O-CA 3.34Å; V725-T821 PolarHBondContact N-O 3.23Å; V725-T821 PolarHBondContact O-N 3.48Å; V725-L908 HydrophobicContact CG2-CD2 4.12Å |
| 726 | L | 98.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 131 | 175.9 | -67.5 | 81.4 | 0 | 0 | 0 | 109.5 | K708 A709 I711 I724 L731 F734 I768 I777 I818 V819 V820 | K708-L726 VanDerWaalsContact CA-O 3.31Å; K708-L726 WeakPolarHBondContact CA-O 3.36Å; A709-L726 HydrophobicContact CB-CB 4.42Å; A709-L726 PolarHBondContact N-O 2.98Å; A709-L726 PolarHBondContact O-N 3.2Å; I711-L726 HydrophobicContact CD1-CD1 4Å; I711-L726 HydrophobicContact CG1-CD1 3.84Å; I724-L726 HydrophobicContact CG2-CD1 4.41Å; L726-L731 HydrophobicContact CB-CD1 3.97Å; L726-F734 HydrophobicContact CD2-CE1 3.79Å; L726-I768 HydrophobicContact CD1-CD1 4.42Å; L726-I768 HydrophobicContact CD2-CD1 3.87Å; L726-I777 HydrophobicContact CD2-CD1 4.04Å; L726-I818 HydrophobicContact CB-CG2 4.34Å; L726-I818 HydrophobicContact CD2-CG2 4.17Å; L726-V819 WeakPolarHBondContact CA-O 3.31Å; L726-V820 HydrophobicContact CG-CG2 4.26Å |
| 727 | N | 98.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 155.9 | 173.4 | -57.5 | 104.1 | 0 | 0 | 0 | 109.7 | L705 K707 I818 V819 Q907 | L705-N727 HydrophobicContact CD2-CB 3.77Å; K707-N727 PolarHBondContact O-ND2 3.47Å; N727-I818 CarbonylContact O-C 3.57Å; N727-I818 WeakPolarHBondContact O-CA 3.43Å; N727-V819 HydrophobicContact CB-CG1 3.98Å; N727-V819 PolarHBondContact N-O 3.33Å; N727-V819 PolarHBondContact O-N 3.35Å; N727-Q907 PolarHBondContact ND2-OE1 3.23Å; N727-Q907 PolarHBondContact OD1-NE2 3.24Å; N727-Q907 PolarHBondContact OD1-OE1 3.22Å |
| 728 | G | 96.2 | Very high | 94.5 | Very high | 6 Ų | 6 | 41.6 Ų | 41.6 | 6% | 0.062 | 22% | 0.216 | C | C | . | . | trans | 165.6 | 154.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | H704 L731 | H704-G728 PolarHBondContact O-N 2.98Å; G728-L731 VanDerWaalsContact O-CB 3.26Å; G728-L731 WeakPolarHBondContact O-CB 3.32Å; G728-L731 PolarHBondContact O-N 2.98Å | ||
| 729 | I | 95 | Very high | 95.2 | Very high | 90 Ų | 90 | 39 Ų | 39 | 46% | 0.462 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -46 | 174.3 | -60.5 | -59.2 | 0 | 0 | 0 | 110.2 | P703 H704 L731 V814 | P703-I729 HydrophobicContact CB-CD1 4.43Å; P703-I729 HydrophobicContact CG-CD1 4.19Å; H704-I729 HydrophobicContact CB-CD1 3.99Å; H704-I729 HydrophobicContact CB-CG1 4.3Å; I729-L731 PolarHBondContact O-N 2.9Å; I729-V814 HydrophobicContact CD1-CG1 3.9Å; I729-V814 HydrophobicContact CG1-CG1 3.93Å |
| 730 | D | 94.4 | Very high | 95.3 | Very high | 86 Ų | 86 | 42.1 Ų | 42.1 | 46% | 0.46 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 15.7 | 179.9 | -58.9 | -44.5 | 0 | 0 | 0 | 113.5 | K732 A733 F734 F793 | D730-K732 PolarHBondContact O-N 3.3Å; D730-A733 PolarHBondContact O-N 2.87Å; D730-A733 VanDerWaalsContact O-N 3.11Å; D730-F734 PolarHBondContact O-N 3.37Å; D730-F793 HydrophobicContact CB-CD1 4.49Å; D730-F793 HydrophobicContact CB-CE1 4.25Å |
| 731 | L | 95.3 | Very high | 95.4 | Very high | 6 Ų | 6 | 40.2 Ų | 40.2 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.3 | -39.5 | -176.7 | 179.6 | 64.4 | 0 | 0 | 0 | 112 | A709 L726 G728 I729 F734 L735 I818 | A709-L731 HydrophobicContact CB-CD1 4.21Å; A709-L731 HydrophobicContact CB-CD2 4.17Å; L726-L731 HydrophobicContact CB-CD1 3.97Å; G728-L731 VanDerWaalsContact O-CB 3.26Å; G728-L731 WeakPolarHBondContact O-CB 3.32Å; G728-L731 PolarHBondContact O-N 2.98Å; I729-L731 PolarHBondContact O-N 2.9Å; L731-F734 HydrophobicContact CD1-CD1 4.34Å; L731-F734 PolarHBondContact O-N 3.27Å; L731-L735 HydrophobicContact CD1-CD1 4.26Å; L731-L735 HydrophobicContact CD1-CG 4.26Å; L731-L735 HydrophobicContact CG-CD1 3.93Å; L731-L735 HydrophobicContact CG-CG 4.38Å; L731-L735 WeakPolarHBondContact O-CD1 3.37Å; L731-L735 WeakPolarHBondContact O-CG 3.22Å; L731-L735 PolarHBondContact O-N 3.28Å; L731-I818 HydrophobicContact CD1-CG2 4.28Å |
| 732 | K | 94.6 | Very high | 95.3 | Very high | 126 Ų | 126 | 44.8 Ų | 44.8 | 55% | 0.548 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.6 | -48.4 | 177.8 | 178.7 | 174.4 | 165.8 | 43.4 | 0 | 111.7 | D730 F734 L735 D736 | D730-K732 PolarHBondContact O-N 3.3Å; K732-F734 VanDerWaalsContact C-N 3.27Å; K732-F734 PolarHBondContact O-N 3.33Å; K732-L735 PolarHBondContact O-N 2.95Å; K732-D736 WeakPolarHBondContact CG-OD2 3.36Å; K732-D736 IonicContact NZ-OD1 2.65Å; K732-D736 PolarHBondContact NZ-OD1 3.41Å; K732-D736 IonicContact NZ-OD2 3.56Å; K732-D736 PolarHBondContact NZ-OD2 3.4Å; K732-D736 WeakPolarHBondContact O-CB 3.17Å; K732-D736 PolarHBondContact O-N 3.39Å |
| 733 | A | 95.8 | Very high | 95 | Very high | 48 Ų | 48 | 49.2 Ų | 49.2 | 40% | 0.397 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.3 | -37.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | D730 S737 F793 | D730-A733 PolarHBondContact O-N 2.87Å; D730-A733 VanDerWaalsContact O-N 3.11Å; A733-S737 PolarHBondContact O-N 3.3Å; A733-F793 VanDerWaalsContact C-CZ 3.47Å; A733-F793 HydrophobicContact CB-CE1 3.88Å; A733-F793 HydrophobicContact CB-CZ 3.77Å |
| 734 | F | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.4 | -47.9 | 172.9 | 170.7 | -111.2 | 0 | 0 | 0 | 112.7 | L726 D730 L731 K732 D736 S737 L738 I768 I777 I790 F793 V795 I818 | L726-F734 HydrophobicContact CD2-CE1 3.79Å; D730-F734 PolarHBondContact O-N 3.37Å; L731-F734 HydrophobicContact CD1-CD1 4.34Å; L731-F734 PolarHBondContact O-N 3.27Å; K732-F734 VanDerWaalsContact C-N 3.27Å; K732-F734 PolarHBondContact O-N 3.33Å; F734-D736 VanDerWaalsContact C-N 3.33Å; F734-D736 PolarHBondContact O-N 3.2Å; F734-S737 WeakPolarHBondContact O-CB 3.3Å; F734-S737 PolarHBondContact O-N 3.2Å; F734-S737 PolarHBondContact O-OG 2.91Å; F734-L738 HydrophobicContact CD1-CD1 4.37Å; F734-L738 HydrophobicContact CE1-CD1 3.81Å; F734-L738 HydrophobicContact CE2-CD1 4.31Å; F734-L738 HydrophobicContact CE2-CD2 4.34Å; F734-L738 HydrophobicContact CE2-CG 4.47Å; F734-L738 HydrophobicContact CZ-CD1 3.78Å; F734-L738 HydrophobicContact CZ-CD2 4.47Å; F734-L738 HydrophobicContact CZ-CG 4.42Å; F734-L738 PolarHBondContact O-N 2.89Å; F734-I768 HydrophobicContact CE1-CD1 4.12Å; F734-I777 HydrophobicContact CZ-CD1 4.26Å; F734-I790 HydrophobicContact CE2-CB 4Å; F734-I790 HydrophobicContact CE2-CG2 3.9Å; F734-F793 HydrophobicContact CB-CB 4.5Å; F734-F793 HydrophobicContact CB-CD1 3.95Å; F734-F793 HydrophobicContact CB-CD2 4.14Å; F734-F793 HydrophobicContact CB-CE1 4.19Å; F734-F793 HydrophobicContact CB-CE2 4.37Å; F734-F793 HydrophobicContact CB-CG 3.93Å; F734-F793 HydrophobicContact CB-CZ 4.39Å; F734-F793 HydrophobicContact CD2-CB 3.71Å; F734-F793 AromaticContact CD2-CD2 3.78Å; F734-F793 HydrophobicContact CD2-CD2 3.78Å; F734-F793 AromaticContact CD2-CG 3.78Å; F734-F793 HydrophobicContact CD2-CG 3.78Å; F734-F793 HydrophobicContact CE2-CB 4.39Å; F734-F793 HydrophobicContact CG-CB 4.47Å; F734-F793 HydrophobicContact CG-CD2 4.48Å; F734-F793 HydrophobicContact CG-CG 4.33Å; F734-V795 HydrophobicContact CE2-CG2 4.05Å; F734-V795 HydrophobicContact CZ-CG2 4.06Å; F734-I818 HydrophobicContact CB-CD1 3.15Å; F734-I818 HydrophobicContact CD1-CD1 3.61Å; F734-I818 HydrophobicContact CD2-CD1 3.85Å; F734-I818 HydrophobicContact CE1-CD1 4.42Å; F734-I818 HydrophobicContact CG-CD1 3.25Å |
| 735 | L | 95.9 | Very high | 94.1 | Very high | 14 Ų | 14 | 57.7 Ų | 57.7 | 7% | 0.073 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.9 | -41 | 177.7 | -67.5 | 165.3 | 0 | 0 | 0 | 112.1 | A709 L731 K732 S737 L738 V741 P766 I768 | A709-L735 HydrophobicContact CB-CD1 4Å; A709-L735 HydrophobicContact CB-CD2 3.89Å; A709-L735 HydrophobicContact CB-CG 4.47Å; L731-L735 HydrophobicContact CD1-CD1 4.26Å; L731-L735 HydrophobicContact CD1-CG 4.26Å; L731-L735 HydrophobicContact CG-CD1 3.93Å; L731-L735 HydrophobicContact CG-CG 4.38Å; L731-L735 WeakPolarHBondContact O-CD1 3.37Å; L731-L735 WeakPolarHBondContact O-CG 3.22Å; L731-L735 PolarHBondContact O-N 3.28Å; K732-L735 PolarHBondContact O-N 2.95Å; L735-S737 PolarHBondContact O-N 3.08Å; L735-L738 PolarHBondContact O-N 3.44Å; L735-V741 HydrophobicContact CD2-CG1 4.19Å; L735-V741 HydrophobicContact CD2-CG2 4.44Å; L735-P766 HydrophobicContact CD1-CB 3.59Å; L735-P766 HydrophobicContact CD1-CG 3.64Å; L735-P766 HydrophobicContact CD2-CB 4.18Å; L735-P766 HydrophobicContact CG-CB 4.47Å; L735-I768 HydrophobicContact CD2-CD1 3.87Å; L735-I768 HydrophobicContact CD2-CG1 3.75Å |
| 736 | D | 95.4 | Very high | 93.3 | Very high | 109 Ų | 109 | 59.1 Ų | 59.1 | 58% | 0.583 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -65.3 | -18.8 | 177.2 | -66 | -18.4 | 0 | 0 | 0 | 111.7 | K732 F734 | K732-D736 WeakPolarHBondContact CG-OD2 3.36Å; K732-D736 IonicContact NZ-OD1 2.65Å; K732-D736 PolarHBondContact NZ-OD1 3.41Å; K732-D736 IonicContact NZ-OD2 3.56Å; K732-D736 PolarHBondContact NZ-OD2 3.4Å; K732-D736 WeakPolarHBondContact O-CB 3.17Å; K732-D736 PolarHBondContact O-N 3.39Å; F734-D736 VanDerWaalsContact C-N 3.33Å; F734-D736 PolarHBondContact O-N 3.2Å |
| 737 | S | 95.9 | Very high | 92.2 | Very high | 41 Ų | 41 | 67 Ų | 67 | 29% | 0.287 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -11.6 | 173.9 | 85.6 | 0 | 0 | 0 | 0 | 114.3 | A733 F734 L735 N791 | A733-S737 PolarHBondContact O-N 3.3Å; F734-S737 WeakPolarHBondContact O-CB 3.3Å; F734-S737 PolarHBondContact O-N 3.2Å; F734-S737 PolarHBondContact O-OG 2.91Å; L735-S737 PolarHBondContact O-N 3.08Å; S737-N791 PolarHBondContact O-ND2 3.43Å; S737-N791 PolarHBondContact OG-ND2 2.88Å |
| 738 | L | 95.3 | Very high | 90.6 | Very high | 14 Ų | 14 | 67.7 Ų | 67.7 | 7% | 0.073 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -98.3 | 141.3 | -176.9 | -63.2 | 179.7 | 0 | 0 | 0 | 111.1 | F734 L735 V741 I768 A773 I790 | F734-L738 HydrophobicContact CD1-CD1 4.37Å; F734-L738 HydrophobicContact CE1-CD1 3.81Å; F734-L738 HydrophobicContact CE2-CD1 4.31Å; F734-L738 HydrophobicContact CE2-CD2 4.34Å; F734-L738 HydrophobicContact CE2-CG 4.47Å; F734-L738 HydrophobicContact CZ-CD1 3.78Å; F734-L738 HydrophobicContact CZ-CD2 4.47Å; F734-L738 HydrophobicContact CZ-CG 4.42Å; F734-L738 PolarHBondContact O-N 2.89Å; L735-L738 PolarHBondContact O-N 3.44Å; L738-V741 HydrophobicContact CB-CG2 3.77Å; L738-I768 HydrophobicContact CD1-CD1 3.86Å; L738-I768 HydrophobicContact CD1-CG1 4.13Å; L738-I768 HydrophobicContact CD1-CG2 4.11Å; L738-A773 HydrophobicContact CD2-CB 3.65Å; L738-I790 HydrophobicContact CD2-CG2 4.15Å |
| 739 | P | 91.2 | Very high | 89.1 | Confident | 78 Ų | 78 | 71.5 Ų | 71.5 | 51% | 0.506 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 151.3 | 172 | 30.8 | -34.2 | 0 | 0 | 0 | 111.3 | V741 | P739-V741 VanDerWaalsContact C-N 3.28Å; P739-V741 PolarHBondContact O-N 3.25Å; P739-V741 VanDerWaalsContact O-N 3.15Å |
| 740 | D | 89.9 | Confident | 86.7 | Confident | 129 Ų | 129 | 73.6 Ų | 73.6 | 69% | 0.69 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 24.5 | 165.9 | -53.4 | -48.8 | 0 | 0 | 0 | 116.7 | K742 P769 | D740-K742 PolarHBondContact O-N 3.38Å; D740-P769 HydrophobicContact CB-CG 4.06Å; D740-P769 WeakPolarHBondContact O-CD 3.33Å; D740-P769 WeakPolarHBondContact O-CG 3.34Å |
| 741 | V | 92.4 | Very high | 84.2 | Confident | 38 Ų | 38 | 77.2 Ų | 77.2 | 23% | 0.23 | 40% | 0.404 | C | S | . | . | trans | -64.1 | 118.8 | 172.9 | 179.1 | 0 | 0 | 0 | 0 | 110 | L735 L738 P739 P766 | L735-V741 HydrophobicContact CD2-CG1 4.19Å; L735-V741 HydrophobicContact CD2-CG2 4.44Å; L738-V741 HydrophobicContact CB-CG2 3.77Å; P739-V741 VanDerWaalsContact C-N 3.28Å; P739-V741 PolarHBondContact O-N 3.25Å; P739-V741 VanDerWaalsContact O-N 3.15Å; V741-P766 HydrophobicContact CG1-CB 3.96Å | ||
| 742 | K | 91.6 | Very high | 81.4 | Confident | 123 Ų | 123 | 85.8 Ų | 85.8 | 54% | 0.535 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 146.1 | 176.3 | -65.6 | 178 | -176.2 | 171.5 | 0 | 110.1 | D740 P766 V767 | D740-K742 PolarHBondContact O-N 3.38Å; K742-P766 CarbonylContact O-C 3.42Å; K742-P766 WeakPolarHBondContact O-CA 3.4Å; K742-V767 HydrophobicContact CB-CB 4.34Å; K742-V767 PolarHBondContact N-O 2.89Å; K742-V767 PolarHBondContact O-N 3.24Å |
| 743 | V | 90.5 | Very high | 78.5 | Confident | 95 Ų | 95 | 88.7 Ų | 88.7 | 58% | 0.576 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116 | 114.8 | 176.2 | -179.5 | 0 | 0 | 0 | 0 | 109.3 | ||
| 744 | I | 88 | Confident | 75.8 | Confident | 44 Ų | 44 | 91.2 Ų | 91.2 | 23% | 0.226 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 125.9 | 177.5 | -59.9 | -178.5 | 0 | 0 | 0 | 109.4 | I719 S764 M765 V767 | I719-I744 HydrophobicContact CB-CD1 3.84Å; I719-I744 HydrophobicContact CD1-CD1 3.48Å; I719-I744 VanDerWaalsContact CD1-CD1 3.48Å; I719-I744 HydrophobicContact CG1-CD1 4.22Å; I719-I744 HydrophobicContact CG2-CD1 3.6Å; I744-S764 CarbonylContact O-C 3.51Å; I744-S764 VanDerWaalsContact O-CA 3.24Å; I744-S764 WeakPolarHBondContact O-CA 3.41Å; I744-M765 PolarHBondContact N-O 3.42Å; I744-M765 PolarHBondContact O-N 3.35Å; I744-V767 HydrophobicContact CD1-CG2 3.62Å; I744-V767 HydrophobicContact CG1-CG2 3.87Å |
| 745 | K | 86.3 | Confident | 72.9 | Confident | 164 Ų | 164 | 95.3 Ų | 95.3 | 71% | 0.713 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 128.5 | 169.7 | -66.6 | -174.1 | 179.6 | -177.6 | 0 | 110 | ||
| 746 | M | 81.1 | Confident | 69.8 | Low | 30 Ų | 30 | 100.1 Ų | 100.1 | 15% | 0.148 | 55% | 0.547 | C | S | . | . | P | Polyproline II helix | trans | -92.4 | 127 | 175.2 | -58.4 | 177.3 | 76.3 | 0 | 0 | 108.9 | L763 M765 A986 | M746-L763 HydrophobicContact CB-CB 4.15Å; M746-L763 HydrophobicContact CB-CD2 3.78Å; M746-L763 HydrophobicContact CB-CG 4.36Å; M746-L763 HydrophobicContact CE-CD2 4.35Å; M746-L763 HydrophobicContact CG-CD2 4.4Å; M746-L763 PolarHBondContact N-O 3.12Å; M746-L763 HydrophobicContact SD-CD2 3.86Å; M746-L763 HydrophobicContact SD-CG 4.33Å; M746-M765 HydrophobicContact CG-CB 4.38Å; M746-M765 HydrophobicContact SD-CB 4.09Å; M746-A986 HydrophobicContact CB-CB 4.22Å; M746-A986 HydrophobicContact CE-CB 4.11Å |
| 747 | K | 76.5 | Confident | 66.9 | Low | 165 Ų | 165 | 98.3 Ų | 98.3 | 72% | 0.717 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 125.9 | 177 | -66.9 | -176.4 | 178.2 | -177.8 | 0 | 109.3 | A986 | K747-A986 WeakPolarHBondContact O-CB 3.4Š|
| 748 | C | 65.3 | Low | 64.2 | Low | 15 Ų | 15 | 101.5 Ų | 101.5 | 10% | 0.101 | 57% | 0.568 | C | S | . | * | trans | -94.4 | -38.6 | 177.8 | -81.2 | 0 | 0 | 0 | 0 | 113.3 | M983 A986 K990 | C748-M983 WeakPolarHBondContact O-CG 3.38Å; C748-A986 PolarHBondContact SG-O 3.27Å; C748-K990 HydrophobicContact CB-CD 4.47Å | ||
| 749 | D | 63.4 | Low | 61.1 | Low | 86 Ų | 86 | 107.4 Ų | 107.4 | 46% | 0.46 | 61% | 0.605 | S | S | . | * | trans | -147 | 145.7 | -176.8 | -62.3 | -58.8 | 0 | 0 | 0 | 111.5 | R987 | D749-R987 IonicContact OD1-CZ 3.6Å; D749-R987 IonicContact OD1-NE 3.51Å; D749-R987 PolarHBondContact OD1-NE 3.43Å; D749-R987 IonicContact OD1-NH2 3.57Å; D749-R987 PolarHBondContact OD1-NH2 3.46Å | ||
| 750 | N | 46.1 | Very low | 58.6 | Low | 135 Ų | 135 | 111.2 Ų | 111.2 | 72% | 0.722 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -88.3 | 114.1 | 164.3 | -72.6 | -26.7 | 0 | 0 | 0 | 107.6 | ||
| 751 | N | 40.5 | Very low | 56.3 | Low | 161 Ų | 161 | 107.4 Ų | 107.4 | 86% | 0.861 | 61% | 0.613 | S | S | * | * | S | Bend | trans | 114 | 29.5 | 162.8 | -57.8 | -16.4 | 0 | 0 | 0 | 121 | ||
| 752 | Q | 37.7 | Very low | 54.6 | Low | 186 Ų | 186 | 109.1 Ų | 109.1 | 87% | 0.869 | 63% | 0.631 | S | S | * | * | trans | -136.1 | 111.5 | 151.2 | -73.1 | -173.1 | -10.7 | 0 | 0 | 110.1 | ||||
| 753 | E | 32.5 | Very low | 53.9 | Low | 187 Ų | 187 | 105.1 Ų | 105.1 | 87% | 0.874 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 140.1 | 161.7 | -77 | -171.4 | 157.6 | 0 | 0 | 108.5 | A755 | E753-A755 PolarHBondContact O-N 3.3Š|
| 754 | P | 39.4 | Very low | 53.7 | Low | 101 Ų | 101 | 103.4 Ų | 103.4 | 66% | 0.656 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 135.7 | 175.3 | 25.7 | -32.3 | 0 | 0 | 0 | 109.2 | A756 | P754-A756 PolarHBondContact O-N 2.98Š|
| 755 | A | 35.7 | Very low | 53.9 | Low | 86 Ų | 86 | 101.9 Ų | 101.9 | 71% | 0.711 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -52 | 133.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | E753 G757 D758 | E753-A755 PolarHBondContact O-N 3.3Å; A755-G757 PolarHBondContact O-N 3.02Å; A755-D758 PolarHBondContact O-N 3.37Å |
| 756 | A | 30.2 | Very low | 54.3 | Low | 115 Ų | 115 | 95.1 Ų | 95.1 | 95% | 0.95 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | 106.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | P754 | P754-A756 PolarHBondContact O-N 2.98Š|
| 757 | G | 36.4 | Very low | 55 | Low | 72 Ų | 72 | 93.8 Ų | 93.8 | 74% | 0.742 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 146.8 | -19.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | A755 T759 | A755-G757 PolarHBondContact O-N 3.02Å; G757-T759 PolarHBondContact O-N 3.07Å |
| 758 | D | 37.7 | Very low | 55.9 | Low | 108 Ų | 108 | 86 Ų | 86 | 58% | 0.578 | 53% | 0.532 | S | S | * | . | trans | -93.7 | 77.3 | -175 | -160.4 | 6.9 | 0 | 0 | 0 | 113 | A755 N760 | A755-D758 PolarHBondContact O-N 3.37Å; D758-N760 VanDerWaalsContact C-N 3.29Å; D758-N760 PolarHBondContact O-N 2.92Å | ||
| 759 | T | 30.7 | Very low | 57.2 | Low | 137 Ų | 137 | 86.5 Ų | 86.5 | 84% | 0.84 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 3.3 | 179.1 | 49.5 | 0 | 0 | 0 | 0 | 114.4 | G757 | G757-T759 PolarHBondContact O-N 3.07Š|
| 760 | N | 37.8 | Very low | 58.6 | Low | 159 Ų | 159 | 86.3 Ų | 86.3 | 85% | 0.85 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.6 | 3.7 | -174.9 | -87.7 | -11.8 | 0 | 0 | 0 | 115.5 | D758 | D758-N760 VanDerWaalsContact C-N 3.29Å; D758-N760 PolarHBondContact O-N 2.92Å |
| 761 | G | 43.5 | Very low | 60.7 | Low | 49 Ų | 49 | 81.2 Ų | 81.2 | 51% | 0.505 | 51% | 0.505 | S | S | . | . | trans | -104.2 | 6.2 | -164.8 | 0 | 0 | 0 | 0 | 0 | 119 | L763 | G761-L763 PolarHBondContact O-N 3.47Å; G761-L763 VanDerWaalsContact O-N 3.17Å | ||
| 762 | A | 55.3 | Low | 63.1 | Low | 74 Ų | 74 | 79.1 Ų | 79.1 | 61% | 0.612 | 50% | 0.499 | S | S | * | . | trans | -75.7 | 107.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S764 | A762-S764 PolarHBondContact O-N 2.8Š| ||
| 763 | L | 77.1 | Confident | 65.8 | Low | 38 Ų | 38 | 70.6 Ų | 70.6 | 20% | 0.199 | 46% | 0.46 | C | S | . | . | trans | -61.8 | 121 | 173.3 | -146.5 | 86.4 | 0 | 0 | 0 | 109.3 | M746 G761 A986 K990 | M746-L763 HydrophobicContact CB-CB 4.15Å; M746-L763 HydrophobicContact CB-CD2 3.78Å; M746-L763 HydrophobicContact CB-CG 4.36Å; M746-L763 HydrophobicContact CE-CD2 4.35Å; M746-L763 HydrophobicContact CG-CD2 4.4Å; M746-L763 PolarHBondContact N-O 3.12Å; M746-L763 HydrophobicContact SD-CD2 3.86Å; M746-L763 HydrophobicContact SD-CG 4.33Å; G761-L763 PolarHBondContact O-N 3.47Å; G761-L763 VanDerWaalsContact O-N 3.17Å; L763-A986 HydrophobicContact CD2-CB 4.32Å; L763-K990 HydrophobicContact CD1-CB 3.81Å; L763-K990 HydrophobicContact CD1-CG 4.08Å; L763-K990 HydrophobicContact CD2-CB 4.32Å | ||
| 764 | S | 86.9 | Confident | 68.8 | Low | 60 Ų | 60 | 61.7 Ų | 61.7 | 42% | 0.42 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 144.3 | -177.1 | 71.5 | 0 | 0 | 0 | 0 | 112.8 | I744 A762 | I744-S764 CarbonylContact O-C 3.51Å; I744-S764 VanDerWaalsContact O-CA 3.24Å; I744-S764 WeakPolarHBondContact O-CA 3.41Å; A762-S764 PolarHBondContact O-N 2.8Å |
| 765 | M | 91.9 | Very high | 71.4 | Confident | 11 Ų | 11 | 61.7 Ų | 61.7 | 5% | 0.054 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 115.7 | 177.3 | -173.6 | 176.5 | 71.3 | 0 | 0 | 110.1 | V710 I719 D721 I744 M746 V767 | V710-M765 HydrophobicContact CG1-SD 3.93Å; V710-M765 HydrophobicContact CG2-CE 3.71Å; V710-M765 HydrophobicContact CG2-CG 4.39Å; V710-M765 HydrophobicContact CG2-SD 4.04Å; I719-M765 HydrophobicContact CG2-CE 4.18Å; D721-M765 HydrophobicContact CB-CE 3.92Å; D721-M765 HydrophobicContact CB-SD 3.56Å; D721-M765 VanDerWaalsContact CB-SD 3.56Å; I744-M765 PolarHBondContact N-O 3.42Å; I744-M765 PolarHBondContact O-N 3.35Å; M746-M765 HydrophobicContact CG-CB 4.38Å; M746-M765 HydrophobicContact SD-CB 4.09Å; M765-V767 HydrophobicContact CE-CG2 4.34Å |
| 766 | P | 95.3 | Very high | 74.3 | Confident | 23 Ų | 23 | 59.1 Ų | 59.1 | 15% | 0.149 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 140.5 | 170.9 | -19.3 | 33.2 | 0 | 0 | 0 | 111.8 | K708 A709 V710 L735 V741 K742 | K708-P766 WeakPolarHBondContact O-CD 3.5Å; A709-P766 WeakPolarHBondContact CA-O 3.3Å; A709-P766 HydrophobicContact CB-CB 4.01Å; A709-P766 HydrophobicContact CB-CG 4.46Å; V710-P766 PolarHBondContact N-O 3.15Å; L735-P766 HydrophobicContact CD1-CB 3.59Å; L735-P766 HydrophobicContact CD1-CG 3.64Å; L735-P766 HydrophobicContact CD2-CB 4.18Å; L735-P766 HydrophobicContact CG-CB 4.47Å; V741-P766 HydrophobicContact CG1-CB 3.96Å; K742-P766 CarbonylContact O-C 3.42Å; K742-P766 WeakPolarHBondContact O-CA 3.4Å |
| 767 | V | 95.4 | Very high | 77.5 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.012 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 115.6 | -177.3 | -175.9 | 0 | 0 | 0 | 0 | 108.5 | V710 D712 I719 K742 I744 M765 | V710-V767 HydrophobicContact CG2-CB 4.37Å; V710-V767 HydrophobicContact CG2-CG1 4.28Å; V710-V767 HydrophobicContact CG2-CG2 3.89Å; V710-V767 CarbonylContact O-C 3.49Å; V710-V767 WeakPolarHBondContact O-CA 3.47Å; D712-V767 HydrophobicContact CB-CG1 3.8Å; I719-V767 HydrophobicContact CD1-CG1 4.4Å; I719-V767 HydrophobicContact CG2-CG1 4.05Å; I719-V767 HydrophobicContact CG2-CG2 3.81Å; K742-V767 HydrophobicContact CB-CB 4.34Å; K742-V767 PolarHBondContact N-O 2.89Å; K742-V767 PolarHBondContact O-N 3.24Å; I744-V767 HydrophobicContact CD1-CG2 3.62Å; I744-V767 HydrophobicContact CG1-CG2 3.87Å; M765-V767 HydrophobicContact CE-CG2 4.34Å |
| 768 | I | 95.4 | Very high | 80.3 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 118.5 | 175.2 | -55.3 | 172 | 0 | 0 | 0 | 106.9 | V710 I711 D712 L726 F734 L735 L738 A774 | V710-I768 PolarHBondContact O-N 2.95Å; I711-I768 HydrophobicContact CG1-CB 4.1Å; I711-I768 HydrophobicContact CG1-CD1 4.23Å; D712-I768 PolarHBondContact N-O 3.48Å; L726-I768 HydrophobicContact CD1-CD1 4.42Å; L726-I768 HydrophobicContact CD2-CD1 3.87Å; F734-I768 HydrophobicContact CE1-CD1 4.12Å; L735-I768 HydrophobicContact CD2-CD1 3.87Å; L735-I768 HydrophobicContact CD2-CG1 3.75Å; L738-I768 HydrophobicContact CD1-CD1 3.86Å; L738-I768 HydrophobicContact CD1-CG1 4.13Å; L738-I768 HydrophobicContact CD1-CG2 4.11Å; I768-A774 HydrophobicContact CG2-CB 4.31Å |
| 769 | P | 92.6 | Very high | 83.1 | Confident | 27 Ų | 27 | 49.9 Ų | 49.9 | 18% | 0.175 | 31% | 0.305 | C | S | . | . | trans | -67.7 | 165.9 | 175.7 | 31.3 | -35.9 | 0 | 0 | 0 | 110.6 | D740 N771 | D740-P769 HydrophobicContact CB-CG 4.06Å; D740-P769 WeakPolarHBondContact O-CD 3.33Å; D740-P769 WeakPolarHBondContact O-CG 3.34Å; P769-N771 VanDerWaalsContact C-N 3.31Å; P769-N771 PolarHBondContact O-N 3.48Å | ||
| 770 | M | 91.6 | Very high | 86.3 | Confident | 81 Ų | 81 | 43.4 Ų | 43.4 | 40% | 0.399 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -68.5 | 88.7 | 174.7 | -164 | 56.7 | 47.3 | 0 | 0 | 111.1 | I711 D712 F713 A774 E775 I778 | I711-M770 HydrophobicContact CG2-CE 3.78Å; D712-M770 WeakPolarHBondContact O-CE 3.04Å; F713-M770 HydrophobicContact CB-CE 3.75Å; F713-M770 HydrophobicContact CD2-CE 3.53Å; F713-M770 HydrophobicContact CD2-SD 4.39Å; F713-M770 HydrophobicContact CG-CE 4.13Å; M770-A774 HydrophobicContact CE-CB 4.39Å; M770-A774 HydrophobicContact SD-CB 4.01Å; M770-E775 HydrophobicContact SD-CG 4.22Å; M770-I778 HydrophobicContact CE-CD1 3.8Å; M770-I778 HydrophobicContact SD-CD1 3.92Å |
| 771 | N | 90.8 | Very high | 89.1 | Confident | 28 Ų | 28 | 36.6 Ų | 36.6 | 15% | 0.15 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -122.5 | -177.7 | 176.8 | 66.7 | 13.9 | 0 | 0 | 0 | 110.4 | P769 A773 A774 E775 | P769-N771 VanDerWaalsContact C-N 3.31Å; P769-N771 PolarHBondContact O-N 3.48Å; N771-A773 PolarHBondContact O-N 3.49Å; N771-A773 WeakPolarHBondContact OD1-CB 3.04Å; N771-A773 PolarHBondContact OD1-N 3.04Å; N771-A773 VanDerWaalsContact OD1-N 3.15Å; N771-A774 WeakPolarHBondContact O-CB 3.23Å; N771-A774 PolarHBondContact O-N 2.93Å; N771-A774 VanDerWaalsContact O-N 3.09Å; N771-A774 PolarHBondContact OD1-N 3.45Å; N771-E775 WeakPolarHBondContact O-CG 3.33Å; N771-E775 PolarHBondContact O-N 3.29Å |
| 772 | T | 92 | Very high | 91.6 | Very high | 118 Ų | 118 | 39.5 Ų | 39.5 | 72% | 0.724 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -58.6 | -33 | -178.9 | 45.1 | 0 | 0 | 0 | 0 | 113.7 | A776 | T772-A776 WeakPolarHBondContact O-CB 3.49Å; T772-A776 PolarHBondContact O-N 2.9Å |
| 773 | A | 93.8 | Very high | 93.5 | Very high | 6 Ų | 6 | 42 Ų | 42 | 5% | 0.05 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.1 | -44.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L738 N771 A776 I777 I790 | L738-A773 HydrophobicContact CD2-CB 3.65Å; N771-A773 PolarHBondContact O-N 3.49Å; N771-A773 WeakPolarHBondContact OD1-CB 3.04Å; N771-A773 PolarHBondContact OD1-N 3.04Å; N771-A773 VanDerWaalsContact OD1-N 3.15Å; A773-A776 PolarHBondContact O-N 3.33Å; A773-I777 WeakPolarHBondContact O-CG1 3.49Å; A773-I777 PolarHBondContact O-N 3.14Å; A773-I790 HydrophobicContact CB-CD1 4.29Å; A773-I790 HydrophobicContact CB-CG2 3.93Å |
| 774 | A | 94.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61 | -43.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I711 I768 M770 N771 I777 I778 | I711-A774 HydrophobicContact CD1-CB 4.24Å; I711-A774 HydrophobicContact CG1-CB 4.44Å; I711-A774 HydrophobicContact CG2-CB 3.73Å; I768-A774 HydrophobicContact CG2-CB 4.31Å; M770-A774 HydrophobicContact CE-CB 4.39Å; M770-A774 HydrophobicContact SD-CB 4.01Å; N771-A774 WeakPolarHBondContact O-CB 3.23Å; N771-A774 PolarHBondContact O-N 2.93Å; N771-A774 VanDerWaalsContact O-N 3.09Å; N771-A774 PolarHBondContact OD1-N 3.45Å; A774-I777 PolarHBondContact O-N 3.47Å; A774-I778 VanDerWaalsContact O-CG1 3.31Å; A774-I778 WeakPolarHBondContact O-CG1 3.4Å; A774-I778 PolarHBondContact O-N 2.86Å |
| 775 | E | 94.7 | Very high | 94.8 | Very high | 102 Ų | 102 | 43.7 Ų | 43.7 | 48% | 0.477 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.6 | -43.7 | 175.7 | -71.3 | 175.5 | -179.4 | 0 | 0 | 112.1 | M770 N771 I777 I778 N779 | M770-E775 HydrophobicContact SD-CG 4.22Å; N771-E775 WeakPolarHBondContact O-CG 3.33Å; N771-E775 PolarHBondContact O-N 3.29Å; E775-I777 VanDerWaalsContact C-N 3.32Å; E775-I777 PolarHBondContact O-N 3.49Å; E775-I778 PolarHBondContact O-N 3.18Å; E775-N779 VanDerWaalsContact O-CB 3.32Å; E775-N779 WeakPolarHBondContact O-CB 3.42Å; E775-N779 PolarHBondContact O-N 3.31Å; E775-N779 PolarHBondContact O-ND2 3.33Å |
| 776 | A | 96.4 | Very high | 95.1 | Very high | 31 Ų | 31 | 46.5 Ų | 46.5 | 26% | 0.256 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.5 | -42 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | T772 A773 N779 M780 I790 | T772-A776 WeakPolarHBondContact O-CB 3.49Å; T772-A776 PolarHBondContact O-N 2.9Å; A773-A776 PolarHBondContact O-N 3.33Å; A776-N779 PolarHBondContact O-N 2.88Å; A776-M780 PolarHBondContact O-N 3.46Å; A776-I790 HydrophobicContact CB-CD1 4.2Å |
| 777 | I | 96.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.5 | -46.8 | 176 | -69.9 | 169.8 | 0 | 0 | 0 | 111.1 | I711 L726 F734 A773 A774 E775 N779 M780 I781 I790 V795 V820 | I711-I777 HydrophobicContact CD1-CB 4.02Å; I711-I777 HydrophobicContact CD1-CD1 3.96Å; I711-I777 HydrophobicContact CD1-CG2 3.78Å; L726-I777 HydrophobicContact CD2-CD1 4.04Å; F734-I777 HydrophobicContact CZ-CD1 4.26Å; A773-I777 WeakPolarHBondContact O-CG1 3.49Å; A773-I777 PolarHBondContact O-N 3.14Å; A774-I777 PolarHBondContact O-N 3.47Å; E775-I777 VanDerWaalsContact C-N 3.32Å; E775-I777 PolarHBondContact O-N 3.49Å; I777-N779 VanDerWaalsContact C-N 3.32Å; I777-N779 PolarHBondContact O-N 3.38Å; I777-M780 WeakPolarHBondContact O-CB 3.26Å; I777-M780 PolarHBondContact O-N 3.43Å; I777-I781 WeakPolarHBondContact O-CG1 3.36Å; I777-I781 PolarHBondContact O-N 2.83Å; I777-I781 VanDerWaalsContact O-N 3.1Å; I777-I790 HydrophobicContact CD1-CD1 3.97Å; I777-I790 HydrophobicContact CG1-CD1 3.62Å; I777-V795 HydrophobicContact CD1-CG1 4.27Å; I777-V795 HydrophobicContact CG1-CG1 4.12Å; I777-V820 HydrophobicContact CG2-CB 4.32Å; I777-V820 HydrophobicContact CG2-CG1 3.72Å; I777-V820 HydrophobicContact CG2-CG2 3.78Å |
| 778 | I | 95.7 | Very high | 95.3 | Very high | 20 Ų | 20 | 51.5 Ų | 51.5 | 10% | 0.103 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 179.5 | -69.8 | 164.2 | 0 | 0 | 0 | 110.7 | I711 F713 I724 M770 A774 E775 I781 N782 | I711-I778 HydrophobicContact CG2-CD1 4.32Å; F713-I778 HydrophobicContact CD2-CD1 3.63Å; F713-I778 HydrophobicContact CE2-CD1 4.05Å; F713-I778 HydrophobicContact CG-CD1 4.27Å; I724-I778 HydrophobicContact CD1-CD1 4.19Å; I724-I778 HydrophobicContact CD1-CG1 4.09Å; M770-I778 HydrophobicContact CE-CD1 3.8Å; M770-I778 HydrophobicContact SD-CD1 3.92Å; A774-I778 VanDerWaalsContact O-CG1 3.31Å; A774-I778 WeakPolarHBondContact O-CG1 3.4Å; A774-I778 PolarHBondContact O-N 2.86Å; E775-I778 PolarHBondContact O-N 3.18Å; I778-I781 PolarHBondContact O-N 3.23Å; I778-N782 WeakPolarHBondContact CG2-ND2 3.33Å; I778-N782 WeakPolarHBondContact O-CB 3.46Å; I778-N782 VanDerWaalsContact O-CG 3.24Å; I778-N782 PolarHBondContact O-N 3.32Å; I778-N782 PolarHBondContact O-ND2 3.38Å |
| 779 | N | 96.5 | Very high | 95.3 | Very high | 81 Ų | 81 | 55.9 Ų | 55.9 | 43% | 0.433 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 175.6 | -74.4 | -26.3 | 0 | 0 | 0 | 112 | E775 A776 I777 I781 N782 Q783 | E775-N779 VanDerWaalsContact O-CB 3.32Å; E775-N779 WeakPolarHBondContact O-CB 3.42Å; E775-N779 PolarHBondContact O-N 3.31Å; E775-N779 PolarHBondContact O-ND2 3.33Å; A776-N779 PolarHBondContact O-N 2.88Å; I777-N779 VanDerWaalsContact C-N 3.32Å; I777-N779 PolarHBondContact O-N 3.38Å; N779-I781 VanDerWaalsContact C-N 3.31Å; N779-I781 PolarHBondContact O-N 3.45Å; N779-N782 PolarHBondContact O-N 3.28Å; N779-Q783 WeakPolarHBondContact O-CB 3.42Å; N779-Q783 WeakPolarHBondContact O-CG 3.35Å; N779-Q783 PolarHBondContact O-N 2.97Å |
| 780 | M | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.4 | -46.5 | 173.6 | 179 | -163.8 | 68.8 | 0 | 0 | 110.9 | A776 I777 G784 Q785 V788 V795 N797 V820 | A776-M780 PolarHBondContact O-N 3.46Å; I777-M780 WeakPolarHBondContact O-CB 3.26Å; I777-M780 PolarHBondContact O-N 3.43Å; M780-G784 PolarHBondContact O-N 2.88Å; M780-Q785 HydrophobicContact CB-CB 4.35Å; M780-Q785 HydrophobicContact CG-CB 3.69Å; M780-Q785 PolarHBondContact O-N 3.35Å; M780-V788 HydrophobicContact CB-CB 4.44Å; M780-V788 HydrophobicContact CB-CG1 4.32Å; M780-V788 HydrophobicContact CG-CB 4.43Å; M780-V788 HydrophobicContact CG-CG1 4.44Å; M780-V788 HydrophobicContact SD-CB 4.1Å; M780-V788 HydrophobicContact SD-CG1 3.73Å; M780-V795 HydrophobicContact CE-CG1 4.46Å; M780-V795 VanDerWaalsContact SD-O 3.41Å; M780-N797 HydrophobicContact CE-CB 4.04Å; M780-N797 HydrophobicContact SD-CB 4.38Å; M780-V820 HydrophobicContact CE-CB 4.23Å; M780-V820 HydrophobicContact CE-CG2 4.08Å |
| 781 | I | 97.4 | Very high | 95.6 | Very high | 17 Ų | 17 | 55.9 Ų | 55.9 | 9% | 0.087 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.9 | -49.5 | 178.5 | -62.9 | -58.1 | 0 | 0 | 0 | 111.5 | I777 I778 N779 Q783 G784 N797 V820 T822 Q825 | I777-I781 WeakPolarHBondContact O-CG1 3.36Å; I777-I781 PolarHBondContact O-N 2.83Å; I777-I781 VanDerWaalsContact O-N 3.1Å; I778-I781 PolarHBondContact O-N 3.23Å; N779-I781 VanDerWaalsContact C-N 3.31Å; N779-I781 PolarHBondContact O-N 3.45Å; I781-Q783 VanDerWaalsContact C-N 3.28Å; I781-Q783 PolarHBondContact O-N 3.07Å; I781-G784 PolarHBondContact O-N 3.09Å; I781-N797 HydrophobicContact CD1-CB 4.28Å; I781-V820 HydrophobicContact CD1-CB 4.27Å; I781-V820 HydrophobicContact CD1-CG1 4.11Å; I781-V820 HydrophobicContact CG1-CG1 4.17Å; I781-T822 HydrophobicContact CD1-CG2 4.43Å; I781-T822 HydrophobicContact CG1-CG2 4.02Å; I781-T822 HydrophobicContact CG2-CG2 4.17Å; I781-Q825 HydrophobicContact CG2-CG 4.04Å |
| 782 | N | 95.4 | Very high | 95.7 | Very high | 109 Ų | 109 | 62.1 Ų | 62.1 | 58% | 0.583 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.8 | -33.3 | -176.9 | -70 | -18.9 | 0 | 0 | 0 | 113 | I778 N779 G784 | I778-N782 WeakPolarHBondContact CG2-ND2 3.33Å; I778-N782 WeakPolarHBondContact O-CB 3.46Å; I778-N782 VanDerWaalsContact O-CG 3.24Å; I778-N782 PolarHBondContact O-N 3.32Å; I778-N782 PolarHBondContact O-ND2 3.38Å; N779-N782 PolarHBondContact O-N 3.28Å; N782-G784 VanDerWaalsContact C-N 3.32Å |
| 783 | Q | 96.3 | Very high | 96 | Very high | 128 Ų | 128 | 58.7 Ų | 58.7 | 60% | 0.598 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -2.6 | 177.8 | -66.1 | -178.7 | 10.5 | 0 | 0 | 113.1 | N779 I781 Q785 | N779-Q783 WeakPolarHBondContact O-CB 3.42Å; N779-Q783 WeakPolarHBondContact O-CG 3.35Å; N779-Q783 PolarHBondContact O-N 2.97Å; I781-Q783 VanDerWaalsContact C-N 3.28Å; I781-Q783 PolarHBondContact O-N 3.07Å; Q783-Q785 HydrophobicContact CB-CG 3.96Å; Q783-Q785 PolarHBondContact O-N 2.88Å |
| 784 | G | 94.4 | Very high | 96.1 | Very high | 53 Ų | 53 | 61 Ų | 61 | 55% | 0.546 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 25.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | M780 I781 N782 | M780-G784 PolarHBondContact O-N 2.88Å; I781-G784 PolarHBondContact O-N 3.09Å; N782-G784 VanDerWaalsContact C-N 3.32Å |
| 785 | Q | 97 | Very high | 96.2 | Very high | 79 Ų | 79 | 61 Ų | 61 | 37% | 0.369 | 33% | 0.333 | S | S | . | . | trans | -67.1 | 146.6 | 176.8 | -70 | -179.9 | -9.4 | 0 | 0 | 110.3 | M780 Q783 N797 | M780-Q785 HydrophobicContact CB-CB 4.35Å; M780-Q785 HydrophobicContact CG-CB 3.69Å; M780-Q785 PolarHBondContact O-N 3.35Å; Q783-Q785 HydrophobicContact CB-CG 3.96Å; Q783-Q785 PolarHBondContact O-N 2.88Å; Q785-N797 WeakPolarHBondContact O-CB 3.44Å; Q785-N797 PolarHBondContact O-ND2 3.23Å | ||
| 786 | I | 96.7 | Very high | 96.4 | Very high | 70 Ų | 70 | 56.1 Ų | 56.1 | 36% | 0.359 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -70 | -44.2 | -178 | -64.6 | 172.2 | 0 | 0 | 0 | 111.2 | N797 A800 Q803 I804 | I786-N797 WeakPolarHBondContact O-CB 3.2Å; I786-N797 PolarHBondContact O-N 3.13Å; I786-A800 HydrophobicContact CB-CB 4.28Å; I786-A800 HydrophobicContact CG1-CB 4.23Å; I786-A800 HydrophobicContact CG2-CB 3.95Å; I786-Q803 VanDerWaalsContact CD1-OE1 3.24Å; I786-I804 HydrophobicContact CG2-CD1 3.89Å; I786-I804 HydrophobicContact CG2-CG1 3.64Å |
| 787 | Q | 97 | Very high | 96.5 | Very high | 99 Ų | 99 | 55 Ų | 55 | 46% | 0.463 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 158 | -176 | 61 | -171.7 | 9.5 | 0 | 0 | 111.8 | T794 V795 | Q787-T794 HydrophobicContact CB-CG2 4.22Å; Q787-V795 CarbonylContact C-O 3.58Å; Q787-V795 WeakPolarHBondContact CA-O 3.48Å; Q787-V795 WeakPolarHBondContact CB-O 3.46Å |
| 788 | V | 97.5 | Very high | 96.5 | Very high | 31 Ų | 31 | 55 Ų | 55 | 19% | 0.188 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 155.4 | 172 | 68.2 | 0 | 0 | 0 | 0 | 109.5 | M780 I790 V795 | M780-V788 HydrophobicContact CB-CB 4.44Å; M780-V788 HydrophobicContact CB-CG1 4.32Å; M780-V788 HydrophobicContact CG-CB 4.43Å; M780-V788 HydrophobicContact CG-CG1 4.44Å; M780-V788 HydrophobicContact SD-CB 4.1Å; M780-V788 HydrophobicContact SD-CG1 3.73Å; V788-I790 HydrophobicContact CG1-CD1 4.13Å; V788-I790 HydrophobicContact CG1-CG1 4.28Å; V788-V795 HydrophobicContact CG1-CB 4Å; V788-V795 PolarHBondContact N-O 3.41Å; V788-V795 PolarHBondContact O-N 3.23Å |
| 789 | T | 97.2 | Very high | 96.5 | Very high | 93 Ų | 93 | 57.5 Ų | 57.5 | 57% | 0.571 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 128.2 | 174.6 | -57.5 | 0 | 0 | 0 | 0 | 110.2 | F793 | T789-F793 WeakPolarHBondContact CA-O 3.29Å |
| 790 | I | 96.4 | Very high | 96.5 | Very high | 16 Ų | 16 | 54 Ų | 54 | 8% | 0.082 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 121.3 | 179.5 | -60.2 | 173 | 0 | 0 | 0 | 107.8 | F734 L738 A773 A776 I777 V788 N792 F793 V795 | F734-I790 HydrophobicContact CE2-CB 4Å; F734-I790 HydrophobicContact CE2-CG2 3.9Å; L738-I790 HydrophobicContact CD2-CG2 4.15Å; A773-I790 HydrophobicContact CB-CD1 4.29Å; A773-I790 HydrophobicContact CB-CG2 3.93Å; A776-I790 HydrophobicContact CB-CD1 4.2Å; I777-I790 HydrophobicContact CD1-CD1 3.97Å; I777-I790 HydrophobicContact CG1-CD1 3.62Å; V788-I790 HydrophobicContact CG1-CD1 4.13Å; V788-I790 HydrophobicContact CG1-CG1 4.28Å; I790-N792 PolarHBondContact O-N 3.18Å; I790-F793 PolarHBondContact N-O 3.01Å; I790-F793 WeakPolarHBondContact O-CB 3.22Å; I790-F793 PolarHBondContact O-N 3.27Å; I790-V795 HydrophobicContact CD1-CG2 4.35Å |
| 791 | N | 93.3 | Very high | 96.4 | Very high | 91 Ų | 91 | 54 Ų | 54 | 49% | 0.487 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 42 | -179.5 | -62.4 | -9.6 | 0 | 0 | 0 | 113.9 | S737 F793 | S737-N791 PolarHBondContact O-ND2 3.43Å; S737-N791 PolarHBondContact OG-ND2 2.88Å; N791-F793 HydrophobicContact CB-CD2 4.44Å; N791-F793 VanDerWaalsContact O-CD2 3.22Å; N791-F793 WeakPolarHBondContact O-CD2 3.29Å; N791-F793 PolarHBondContact O-N 3.35Å |
| 792 | N | 93.6 | Very high | 96.3 | Very high | 159 Ų | 159 | 56 Ų | 56 | 85% | 0.85 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | 5.1 | -174.9 | -53.5 | -35.7 | 0 | 0 | 0 | 116.4 | I790 | I790-N792 PolarHBondContact O-N 3.18Š|
| 793 | F | 96.7 | Very high | 96.2 | Very high | 46 Ų | 46 | 57.3 Ų | 57.3 | 20% | 0.202 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 133.2 | 171.8 | -64 | -89 | 0 | 0 | 0 | 110.8 | D730 A733 F734 T789 I790 N791 I818 | D730-F793 HydrophobicContact CB-CD1 4.49Å; D730-F793 HydrophobicContact CB-CE1 4.25Å; A733-F793 VanDerWaalsContact C-CZ 3.47Å; A733-F793 HydrophobicContact CB-CE1 3.88Å; A733-F793 HydrophobicContact CB-CZ 3.77Å; F734-F793 HydrophobicContact CB-CB 4.5Å; F734-F793 HydrophobicContact CB-CD1 3.95Å; F734-F793 HydrophobicContact CB-CD2 4.14Å; F734-F793 HydrophobicContact CB-CE1 4.19Å; F734-F793 HydrophobicContact CB-CE2 4.37Å; F734-F793 HydrophobicContact CB-CG 3.93Å; F734-F793 HydrophobicContact CB-CZ 4.39Å; F734-F793 HydrophobicContact CD2-CB 3.71Å; F734-F793 AromaticContact CD2-CD2 3.78Å; F734-F793 HydrophobicContact CD2-CD2 3.78Å; F734-F793 AromaticContact CD2-CG 3.78Å; F734-F793 HydrophobicContact CD2-CG 3.78Å; F734-F793 HydrophobicContact CE2-CB 4.39Å; F734-F793 HydrophobicContact CG-CB 4.47Å; F734-F793 HydrophobicContact CG-CD2 4.48Å; F734-F793 HydrophobicContact CG-CG 4.33Å; T789-F793 WeakPolarHBondContact CA-O 3.29Å; I790-F793 PolarHBondContact N-O 3.01Å; I790-F793 WeakPolarHBondContact O-CB 3.22Å; I790-F793 PolarHBondContact O-N 3.27Å; N791-F793 HydrophobicContact CB-CD2 4.44Å; N791-F793 VanDerWaalsContact O-CD2 3.22Å; N791-F793 WeakPolarHBondContact O-CD2 3.29Å; N791-F793 PolarHBondContact O-N 3.35Å; F793-I818 HydrophobicContact CB-CD1 4.15Å; F793-I818 HydrophobicContact CD1-CD1 4.24Å; F793-I818 HydrophobicContact CG-CD1 4.42Å |
| 794 | T | 96.6 | Very high | 96.1 | Very high | 54 Ų | 54 | 53.7 Ų | 53.7 | 33% | 0.331 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 118.4 | 169.8 | -53.9 | 0 | 0 | 0 | 0 | 109.6 | Q787 T817 I818 | Q787-T794 HydrophobicContact CB-CG2 4.22Å; T794-T817 HydrophobicContact CG2-CG2 3.96Å; T794-I818 PolarHBondContact O-N 3.06Å |
| 795 | V | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 120.2 | 174.9 | -175.9 | 0 | 0 | 0 | 0 | 108.3 | F734 I777 M780 Q787 V788 I790 I818 V820 | F734-V795 HydrophobicContact CE2-CG2 4.05Å; F734-V795 HydrophobicContact CZ-CG2 4.06Å; I777-V795 HydrophobicContact CD1-CG1 4.27Å; I777-V795 HydrophobicContact CG1-CG1 4.12Å; M780-V795 HydrophobicContact CE-CG1 4.46Å; M780-V795 VanDerWaalsContact SD-O 3.41Å; Q787-V795 CarbonylContact C-O 3.58Å; Q787-V795 WeakPolarHBondContact CA-O 3.48Å; Q787-V795 WeakPolarHBondContact CB-O 3.46Å; V788-V795 HydrophobicContact CG1-CB 4Å; V788-V795 PolarHBondContact N-O 3.41Å; V788-V795 PolarHBondContact O-N 3.23Å; I790-V795 HydrophobicContact CD1-CG2 4.35Å; V795-I818 CarbonylContact C-O 3.45Å; V795-I818 WeakPolarHBondContact CA-O 3.33Å; V795-I818 HydrophobicContact CG1-CG2 4.44Å; V795-I818 HydrophobicContact CG2-CB 4.38Å; V795-V820 HydrophobicContact CG1-CG2 3.29Å |
| 796 | S | 97.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.007 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 143.2 | -171.8 | -61.9 | 0 | 0 | 0 | 0 | 111.9 | G798 T817 I818 V820 | S796-G798 PolarHBondContact O-N 3.09Å; S796-T817 VanDerWaalsContact OG-CB 3.29Å; S796-T817 WeakPolarHBondContact OG-CB 3.21Å; S796-T817 PolarHBondContact OG-OG1 3.12Å; S796-I818 PolarHBondContact N-O 3.33Å; S796-V820 PolarHBondContact O-N 3.07Å |
| 797 | N | 98.1 | Very high | 96.1 | Very high | 8 Ų | 8 | 53.9 Ų | 53.9 | 4% | 0.043 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 123.6 | 169.3 | -174.1 | -22.7 | 0 | 0 | 0 | 110 | M780 I781 Q785 I786 L799 A800 Q825 | M780-N797 HydrophobicContact CE-CB 4.04Å; M780-N797 HydrophobicContact SD-CB 4.38Å; I781-N797 HydrophobicContact CD1-CB 4.28Å; Q785-N797 WeakPolarHBondContact O-CB 3.44Å; Q785-N797 PolarHBondContact O-ND2 3.23Å; I786-N797 WeakPolarHBondContact O-CB 3.2Å; I786-N797 PolarHBondContact O-N 3.13Å; N797-L799 PolarHBondContact O-N 2.94Å; N797-L799 VanDerWaalsContact O-N 3.12Å; N797-L799 PolarHBondContact OD1-N 3.28Å; N797-A800 HydrophobicContact CB-CB 4.4Å; N797-A800 PolarHBondContact O-N 3.07Å; N797-Q825 PolarHBondContact OD1-NE2 3.13Å |
| 798 | G | 96.9 | Very high | 96 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -16.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | S796 V820 R904 | S796-G798 PolarHBondContact O-N 3.09Å; G798-V820 WeakPolarHBondContact CA-O 3.33Å; G798-V820 PolarHBondContact N-O 3.29Å; G798-R904 VanDerWaalsContact CA-NH1 3.33Å; G798-R904 PolarHBondContact O-NH2 3.42Å |
| 799 | L | 97 | Very high | 96 | Very high | 73 Ų | 73 | 47.8 Ų | 47.8 | 38% | 0.382 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -10.1 | 173.3 | -66.1 | -178.3 | 0 | 0 | 0 | 113.3 | N797 Q825 Y826 | N797-L799 PolarHBondContact O-N 2.94Å; N797-L799 VanDerWaalsContact O-N 3.12Å; N797-L799 PolarHBondContact OD1-N 3.28Å; L799-Q825 HydrophobicContact CD1-CB 3.8Å; L799-Q825 HydrophobicContact CD1-CG 3.82Å; L799-Q825 HydrophobicContact CD2-CB 4.43Å; L799-Q825 HydrophobicContact CG-CB 4.07Å; L799-Q825 HydrophobicContact CG-CG 3.97Å; L799-Y826 HydrophobicContact CD2-CE1 3.75Å |
| 800 | A | 96.6 | Very high | 96 | Very high | 7 Ų | 7 | 44.4 Ų | 44.4 | 6% | 0.058 | 23% | 0.233 | C | C | . | . | trans | -106.1 | 12.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I786 N797 T802 Q803 I804 | I786-A800 HydrophobicContact CB-CB 4.28Å; I786-A800 HydrophobicContact CG1-CB 4.23Å; I786-A800 HydrophobicContact CG2-CB 3.95Å; N797-A800 HydrophobicContact CB-CB 4.4Å; N797-A800 PolarHBondContact O-N 3.07Å; A800-T802 VanDerWaalsContact C-N 3.29Å; A800-T802 PolarHBondContact O-N 3.48Å; A800-Q803 WeakPolarHBondContact O-CB 3.31Å; A800-Q803 PolarHBondContact O-N 3.25Å; A800-I804 HydrophobicContact CB-CD1 4.29Å; A800-I804 WeakPolarHBondContact O-CG1 3.49Å; A800-I804 PolarHBondContact O-N 2.93Å; A800-I804 VanDerWaalsContact O-N 3.11Å | ||
| 801 | T | 94.9 | Very high | 96 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.7 | -36.6 | -174.7 | 51.1 | 0 | 0 | 0 | 0 | 113 | Q803 I804 N805 V819 | T801-Q803 VanDerWaalsContact C-N 3.28Å; T801-Q803 PolarHBondContact O-N 2.97Å; T801-I804 PolarHBondContact O-N 3.46Å; T801-N805 CarbonylContact O-C 3.58Å; T801-N805 VanDerWaalsContact O-C 3.3Å; T801-N805 PolarHBondContact O-N 3.5Å; T801-N805 VanDerWaalsContact O-O 3.1Å; T801-V819 HydrophobicContact CG2-CG2 4.35Å |
| 802 | T | 94.2 | Very high | 96.2 | Very high | 59 Ų | 59 | 40.9 Ų | 40.9 | 36% | 0.362 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.7 | -32.3 | 175.8 | 50.6 | 0 | 0 | 0 | 0 | 113.1 | A800 A809 P898 | A800-T802 VanDerWaalsContact C-N 3.29Å; A800-T802 PolarHBondContact O-N 3.48Å; T802-A809 HydrophobicContact CG2-CB 3.66Å; T802-P898 HydrophobicContact CG2-CB 4.28Å; T802-P898 HydrophobicContact CG2-CG 3.46Å; T802-P898 VanDerWaalsContact CG2-CG 3.46Å |
| 803 | Q | 94.7 | Very high | 96.4 | Very high | 136 Ų | 136 | 36.6 Ų | 36.6 | 64% | 0.636 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -78.3 | -29.1 | 177.1 | -57.9 | 176.2 | 30 | 0 | 0 | 111.7 | I786 A800 T801 | I786-Q803 VanDerWaalsContact CD1-OE1 3.24Å; A800-Q803 WeakPolarHBondContact O-CB 3.31Å; A800-Q803 PolarHBondContact O-N 3.25Å; T801-Q803 VanDerWaalsContact C-N 3.28Å; T801-Q803 PolarHBondContact O-N 2.97Å |
| 804 | I | 93.3 | Very high | 96.3 | Very high | 52 Ų | 52 | 36.7 Ų | 36.7 | 27% | 0.267 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -82.8 | -53.8 | -178.9 | -63.9 | 161.8 | 0 | 0 | 0 | 110.8 | I786 A800 T801 | I786-I804 HydrophobicContact CG2-CD1 3.89Å; I786-I804 HydrophobicContact CG2-CG1 3.64Å; A800-I804 HydrophobicContact CB-CD1 4.29Å; A800-I804 WeakPolarHBondContact O-CG1 3.49Å; A800-I804 PolarHBondContact O-N 2.93Å; A800-I804 VanDerWaalsContact O-N 3.11Å; T801-I804 PolarHBondContact O-N 3.46Å |
| 805 | N | 95 | Very high | 96 | Very high | 48 Ų | 48 | 34.3 Ų | 34.3 | 26% | 0.257 | 18% | 0.179 | S | C | . | . | trans | -154.5 | 103.9 | 175.7 | -179.6 | -14.5 | 0 | 0 | 0 | 109.4 | T801 K807 A808 A809 E813 | T801-N805 CarbonylContact O-C 3.58Å; T801-N805 VanDerWaalsContact O-C 3.3Å; T801-N805 PolarHBondContact O-N 3.5Å; T801-N805 VanDerWaalsContact O-O 3.1Å; N805-K807 VanDerWaalsContact C-N 3.34Å; N805-K807 PolarHBondContact O-N 3.06Å; N805-K807 WeakPolarHBondContact OD1-CB 3.29Å; N805-K807 PolarHBondContact OD1-N 2.95Å; N805-A808 HydrophobicContact CB-CB 3.89Å; N805-A808 PolarHBondContact O-N 2.89Å; N805-A808 VanDerWaalsContact O-N 3.14Å; N805-A808 PolarHBondContact OD1-N 2.89Å; N805-A808 VanDerWaalsContact OD1-N 3.09Å; N805-A809 PolarHBondContact O-N 2.65Å; N805-E813 PolarHBondContact ND2-OE2 3.17Å | ||
| 806 | N | 96.1 | Very high | 95.6 | Very high | 93 Ų | 93 | 43.9 Ų | 43.9 | 50% | 0.497 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.2 | -37.7 | -179.9 | -171.5 | 62.1 | 0 | 0 | 0 | 113.4 | A808 A809 T810 | N806-A808 VanDerWaalsContact C-N 3.31Å; N806-A808 PolarHBondContact O-N 3.17Å; N806-A809 WeakPolarHBondContact O-CB 3.47Å; N806-A809 PolarHBondContact O-N 2.94Å; N806-A809 VanDerWaalsContact O-N 3.16Å; N806-T810 PolarHBondContact O-N 3.33Å; N806-T810 PolarHBondContact O-OG1 3.01Å |
| 807 | K | 96.8 | Very high | 95.4 | Very high | 65 Ų | 65 | 45.1 Ų | 45.1 | 28% | 0.283 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.6 | -35.3 | 176.2 | -78.1 | -173.5 | 171.7 | -82.7 | 0 | 111.7 | N590 N805 T810 G811 E812 E813 | N590-K807 PolarHBondContact OD1-NZ 3.16Å; N805-K807 VanDerWaalsContact C-N 3.34Å; N805-K807 PolarHBondContact O-N 3.06Å; N805-K807 WeakPolarHBondContact OD1-CB 3.29Å; N805-K807 PolarHBondContact OD1-N 2.95Å; K807-T810 WeakPolarHBondContact CA-OG1 3.34Å; K807-T810 PolarHBondContact O-OG1 3.46Å; K807-T810 VanDerWaalsContact O-OG1 3.04Å; K807-G811 PolarHBondContact O-N 2.99Å; K807-E812 HydrophobicContact CB-CB 4.01Å; K807-E812 HydrophobicContact CG-CB 4.27Å; K807-E812 IonicContact NZ-OE2 3.69Å; K807-E812 PolarHBondContact NZ-OE2 2.94Å; K807-E812 WeakPolarHBondContact O-CA 3.15Å; K807-E812 WeakPolarHBondContact O-CB 3.49Å; K807-E812 PolarHBondContact O-N 3.34Å; K807-E813 HydrophobicContact CB-CB 4.18Å; K807-E813 HydrophobicContact CB-CG 3.87Å; K807-E813 HydrophobicContact CD-CG 4.39Å; K807-E813 WeakPolarHBondContact CD-OE1 3.46Å; K807-E813 PolarHBondContact O-N 3.12Å; K807-E813 VanDerWaalsContact O-N 3.09Å |
| 808 | A | 95.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.4 | -39.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N805 N806 T810 G811 E813 L815 E900 | N805-A808 HydrophobicContact CB-CB 3.89Å; N805-A808 PolarHBondContact O-N 2.89Å; N805-A808 VanDerWaalsContact O-N 3.14Å; N805-A808 PolarHBondContact OD1-N 2.89Å; N805-A808 VanDerWaalsContact OD1-N 3.09Å; N806-A808 VanDerWaalsContact C-N 3.31Å; N806-A808 PolarHBondContact O-N 3.17Å; A808-T810 VanDerWaalsContact C-N 3.35Å; A808-T810 PolarHBondContact O-N 3.24Å; A808-G811 PolarHBondContact O-N 3.39Å; A808-G811 VanDerWaalsContact O-N 3.16Å; A808-E813 WeakPolarHBondContact CA-O 3.32Å; A808-L815 HydrophobicContact CB-CB 4.35Å; A808-L815 HydrophobicContact CB-CD1 3.67Å; A808-E900 VanDerWaalsContact O-CB 3.3Å; A808-E900 WeakPolarHBondContact O-CB 3.4Å |
| 809 | A | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.7 | -36.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | T802 N805 N806 G811 P898 K899 E900 | T802-A809 HydrophobicContact CG2-CB 3.66Å; N805-A809 PolarHBondContact O-N 2.65Å; N806-A809 WeakPolarHBondContact O-CB 3.47Å; N806-A809 PolarHBondContact O-N 2.94Å; N806-A809 VanDerWaalsContact O-N 3.16Å; A809-G811 VanDerWaalsContact C-N 3.29Å; A809-P898 HydrophobicContact CB-CB 3.9Å; A809-P898 HydrophobicContact CB-CG 4.37Å; A809-P898 CarbonylContact O-C 3.43Å; A809-P898 WeakPolarHBondContact O-CB 3.49Å; A809-K899 PolarHBondContact O-N 3.02Å; A809-E900 WeakPolarHBondContact O-CB 3.49Å; A809-E900 PolarHBondContact O-N 2.97Å |
| 810 | T | 96.6 | Very high | 95.5 | Very high | 22 Ų | 22 | 41.4 Ų | 41.4 | 14% | 0.135 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -77.9 | -11.2 | 175.4 | 55.6 | 0 | 0 | 0 | 0 | 113.5 | N806 K807 A808 E812 | N806-T810 PolarHBondContact O-N 3.33Å; N806-T810 PolarHBondContact O-OG1 3.01Å; K807-T810 WeakPolarHBondContact CA-OG1 3.34Å; K807-T810 PolarHBondContact O-OG1 3.46Å; K807-T810 VanDerWaalsContact O-OG1 3.04Å; A808-T810 VanDerWaalsContact C-N 3.35Å; A808-T810 PolarHBondContact O-N 3.24Å; T810-E812 VanDerWaalsContact C-N 3.35Å; T810-E812 WeakPolarHBondContact OG1-CG 3.46Å; T810-E812 PolarHBondContact OG1-OE1 3.47Å |
| 811 | G | 96.9 | Very high | 95.6 | Very high | 4 Ų | 4 | 41 Ų | 41 | 4% | 0.041 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | 10.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | K807 A808 A809 E813 | K807-G811 PolarHBondContact O-N 2.99Å; A808-G811 PolarHBondContact O-N 3.39Å; A808-G811 VanDerWaalsContact O-N 3.16Å; A809-G811 VanDerWaalsContact C-N 3.29Å; G811-E813 VanDerWaalsContact C-N 3.32Å |
| 812 | E | 97.8 | Very high | 95.8 | Very high | 30 Ų | 30 | 41.1 Ų | 41.1 | 14% | 0.14 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -73 | -25.8 | 173.8 | -74.8 | 176.8 | -100.9 | 0 | 0 | 112.8 | T589 N590 F591 K807 T810 | T589-E812 WeakPolarHBondContact CA-OE2 3.45Å; N590-E812 HydrophobicContact CB-CB 3.74Å; N590-E812 HydrophobicContact CB-CG 3.96Å; N590-E812 PolarHBondContact N-OE2 3.05Å; N590-E812 PolarHBondContact ND2-O 3.5Å; F591-E812 HydrophobicContact CD2-CG 3.95Å; F591-E812 HydrophobicContact CE2-CG 3.53Å; F591-E812 HydrophobicContact CZ-CG 3.98Å; K807-E812 HydrophobicContact CB-CB 4.01Å; K807-E812 HydrophobicContact CG-CB 4.27Å; K807-E812 IonicContact NZ-OE2 3.69Å; K807-E812 PolarHBondContact NZ-OE2 2.94Å; K807-E812 WeakPolarHBondContact O-CA 3.15Å; K807-E812 WeakPolarHBondContact O-CB 3.49Å; K807-E812 PolarHBondContact O-N 3.34Å; T810-E812 VanDerWaalsContact C-N 3.35Å; T810-E812 WeakPolarHBondContact OG1-CG 3.46Å; T810-E812 PolarHBondContact OG1-OE1 3.47Å |
| 813 | E | 97.1 | Very high | 96 | Very high | 68 Ų | 68 | 38.3 Ų | 38.3 | 32% | 0.318 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -131.4 | 155.7 | 175.6 | -73.8 | -179.9 | -172.7 | 0 | 0 | 110.9 | N805 K807 A808 G811 | N805-E813 PolarHBondContact ND2-OE2 3.17Å; K807-E813 HydrophobicContact CB-CB 4.18Å; K807-E813 HydrophobicContact CB-CG 3.87Å; K807-E813 HydrophobicContact CD-CG 4.39Å; K807-E813 WeakPolarHBondContact CD-OE1 3.46Å; K807-E813 PolarHBondContact O-N 3.12Å; K807-E813 VanDerWaalsContact O-N 3.09Å; A808-E813 WeakPolarHBondContact CA-O 3.32Å; G811-E813 VanDerWaalsContact C-N 3.32Å |
| 814 | V | 95.8 | Very high | 96.1 | Very high | 48 Ų | 48 | 34.7 Ų | 34.7 | 29% | 0.291 | 17% | 0.173 | S | C | . | . | trans | -78 | 133.7 | 171.6 | 180 | 0 | 0 | 0 | 0 | 109.7 | P703 I729 R816 | P703-V814 HydrophobicContact CG-CB 4.34Å; P703-V814 HydrophobicContact CG-CG1 3.66Å; P703-V814 HydrophobicContact CG-CG2 3.66Å; I729-V814 HydrophobicContact CD1-CG1 3.9Å; I729-V814 HydrophobicContact CG1-CG1 3.93Å; V814-R816 PolarHBondContact O-N 3Å | ||
| 815 | L | 90.5 | Very high | 96.3 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | trans | -66.3 | 124.4 | 175.8 | -165.2 | 71.4 | 0 | 0 | 0 | 110.9 | A808 V819 | A808-L815 HydrophobicContact CB-CB 4.35Å; A808-L815 HydrophobicContact CB-CD1 3.67Å; L815-V819 HydrophobicContact CD2-CB 3.53Å; L815-V819 HydrophobicContact CD2-CG1 3.67Å; L815-V819 HydrophobicContact CD2-CG2 4.06Å | ||
| 816 | R | 89.4 | Confident | 96.4 | Very high | 201 Ų | 201 | 32.2 Ų | 32.2 | 76% | 0.758 | 16% | 0.158 | S | C | * | . | trans | -93.7 | -14.6 | -175.7 | -58.3 | -172.3 | -173.3 | -149.8 | 2.6 | 114.2 | V814 | V814-R816 PolarHBondContact O-N 3Š| ||
| 817 | T | 93.8 | Very high | 96.4 | Very high | 27 Ų | 27 | 30.5 Ų | 30.5 | 17% | 0.166 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -92.5 | 166.2 | 176.5 | 61.7 | 0 | 0 | 0 | 0 | 111.1 | T794 S796 | T794-T817 HydrophobicContact CG2-CG2 3.96Å; S796-T817 VanDerWaalsContact OG-CB 3.29Å; S796-T817 WeakPolarHBondContact OG-CB 3.21Å; S796-T817 PolarHBondContact OG-OG1 3.12Å |
| 818 | I | 97.7 | Very high | 96.5 | Very high | 3 Ų | 3 | 27.8 Ų | 27.8 | 2% | 0.015 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 124.6 | 168.7 | -62 | 170.7 | 0 | 0 | 0 | 107.2 | L726 N727 L731 F734 F793 T794 V795 S796 | L726-I818 HydrophobicContact CB-CG2 4.34Å; L726-I818 HydrophobicContact CD2-CG2 4.17Å; N727-I818 CarbonylContact O-C 3.57Å; N727-I818 WeakPolarHBondContact O-CA 3.43Å; L731-I818 HydrophobicContact CD1-CG2 4.28Å; F734-I818 HydrophobicContact CB-CD1 3.15Å; F734-I818 HydrophobicContact CD1-CD1 3.61Å; F734-I818 HydrophobicContact CD2-CD1 3.85Å; F734-I818 HydrophobicContact CE1-CD1 4.42Å; F734-I818 HydrophobicContact CG-CD1 3.25Å; F793-I818 HydrophobicContact CB-CD1 4.15Å; F793-I818 HydrophobicContact CD1-CD1 4.24Å; F793-I818 HydrophobicContact CG-CD1 4.42Å; T794-I818 PolarHBondContact O-N 3.06Å; V795-I818 CarbonylContact C-O 3.45Å; V795-I818 WeakPolarHBondContact CA-O 3.33Å; V795-I818 HydrophobicContact CG1-CG2 4.44Å; V795-I818 HydrophobicContact CG2-CB 4.38Å; S796-I818 PolarHBondContact N-O 3.33Å |
| 819 | V | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 134.7 | -177 | 62.8 | 0 | 0 | 0 | 0 | 111.3 | L726 N727 T801 L815 R904 | L726-V819 WeakPolarHBondContact CA-O 3.31Å; N727-V819 HydrophobicContact CB-CG1 3.98Å; N727-V819 PolarHBondContact N-O 3.33Å; N727-V819 PolarHBondContact O-N 3.35Å; T801-V819 HydrophobicContact CG2-CG2 4.35Å; L815-V819 HydrophobicContact CD2-CB 3.53Å; L815-V819 HydrophobicContact CD2-CG1 3.67Å; L815-V819 HydrophobicContact CD2-CG2 4.06Å; V819-R904 VanDerWaalsContact CG1-CD 3.45Å |
| 820 | V | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 127.5 | 179.7 | -173.4 | 0 | 0 | 0 | 0 | 109.6 | I724 V725 L726 I777 M780 I781 V795 S796 G798 T822 Q825 | I724-V820 HydrophobicContact CG2-CG1 4.17Å; V725-V820 WeakPolarHBondContact O-CA 3.34Å; L726-V820 HydrophobicContact CG-CG2 4.26Å; I777-V820 HydrophobicContact CG2-CB 4.32Å; I777-V820 HydrophobicContact CG2-CG1 3.72Å; I777-V820 HydrophobicContact CG2-CG2 3.78Å; M780-V820 HydrophobicContact CE-CB 4.23Å; M780-V820 HydrophobicContact CE-CG2 4.08Å; I781-V820 HydrophobicContact CD1-CB 4.27Å; I781-V820 HydrophobicContact CD1-CG1 4.11Å; I781-V820 HydrophobicContact CG1-CG1 4.17Å; V795-V820 HydrophobicContact CG1-CG2 3.29Å; S796-V820 PolarHBondContact O-N 3.07Å; G798-V820 WeakPolarHBondContact CA-O 3.33Å; G798-V820 PolarHBondContact N-O 3.29Å; V820-T822 HydrophobicContact CG1-CG2 3.97Å; V820-Q825 PolarHBondContact O-NE2 3.46Å |
| 821 | T | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 126.8 | 177.8 | -43.3 | 0 | 0 | 0 | 0 | 108.8 | V725 Q825 Y826 R904 R905 L908 | V725-T821 PolarHBondContact N-O 3.23Å; V725-T821 PolarHBondContact O-N 3.48Å; T821-Q825 VanDerWaalsContact CA-OE1 3.3Å; T821-Y826 HydrophobicContact CG2-CE2 4.11Å; T821-R904 HydrophobicContact CG2-CG 4.43Å; T821-R904 VanDerWaalsContact OG1-CD 3.29Å; T821-R904 WeakPolarHBondContact OG1-CD 3.3Å; T821-R904 WeakPolarHBondContact OG1-CG 3.49Å; T821-R904 PolarHBondContact OG1-NH1 3.47Å; T821-R905 HydrophobicContact CG2-CB 4.38Å; T821-L908 HydrophobicContact CG2-CD1 3.68Å; T821-L908 HydrophobicContact CG2-CD2 4.11Å; T821-L908 HydrophobicContact CG2-CG 3.91Å |
| 822 | T | 98.3 | Very high | 96.1 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.018 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 153.8 | -176.7 | 75.4 | 0 | 0 | 0 | 0 | 112.3 | R723 I724 I781 V820 S824 Q825 Y826 L908 | R723-T822 CarbonylContact O-C 3.6Å; R723-T822 WeakPolarHBondContact O-CA 3.47Å; I724-T822 HydrophobicContact CB-CG2 4.33Å; I724-T822 HydrophobicContact CG1-CG2 4.06Å; I724-T822 HydrophobicContact CG2-CG2 4.01Å; I781-T822 HydrophobicContact CD1-CG2 4.43Å; I781-T822 HydrophobicContact CG1-CG2 4.02Å; I781-T822 HydrophobicContact CG2-CG2 4.17Å; V820-T822 HydrophobicContact CG1-CG2 3.97Å; T822-S824 VanDerWaalsContact C-N 3.32Å; T822-S824 PolarHBondContact OG1-OG 3.05Å; T822-Q825 WeakPolarHBondContact O-CB 3.4Å; T822-Q825 PolarHBondContact O-N 3.2Å; T822-Q825 WeakPolarHBondContact OG1-CG 3.48Å; T822-Q825 PolarHBondContact OG1-N 3Å; T822-Q825 VanDerWaalsContact OG1-N 3.14Å; T822-Y826 WeakPolarHBondContact O-CD2 3.45Å; T822-L908 VanDerWaalsContact C-CD1 3.49Å; T822-L908 WeakPolarHBondContact O-CD1 3.39Å |
| 823 | R | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -61.2 | -40.8 | 170.2 | -80.6 | -162.4 | 177.5 | -172.2 | -5.2 | 112.7 | N722 R723 Q825 Y826 G827 L828 P829 S832 L908 D910 | N722-R823 PolarHBondContact ND2-NH2 3.5Å; R723-R823 VanDerWaalsContact CZ-CZ 3.4Å; R723-R823 PolarHBondContact O-N 3.28Å; R823-Q825 VanDerWaalsContact C-N 3.27Å; R823-Q825 PolarHBondContact O-N 3.17Å; R823-Y826 PolarHBondContact O-N 3.2Å; R823-G827 PolarHBondContact O-N 3.04Å; R823-L828 HydrophobicContact CB-CB 3.81Å; R823-L828 HydrophobicContact CG-CB 3.99Å; R823-L828 HydrophobicContact CG-CD1 4.22Å; R823-L828 PolarHBondContact O-N 3.19Å; R823-P829 WeakPolarHBondContact CD-O 3.48Å; R823-P829 PolarHBondContact NH1-O 3.39Å; R823-S832 PolarHBondContact NH1-O 3Å; R823-L908 HydrophobicContact CG-CB 4.24Å; R823-L908 HydrophobicContact CG-CD2 4.45Å; R823-L908 PolarHBondContact NE-O 3.35Å; R823-L908 VanDerWaalsContact NE-O 3.09Å; R823-L908 PolarHBondContact NH2-O 3.12Å; R823-D910 IonicContact CZ-OD2 2.59Å; R823-D910 IonicContact NH2-OD1 3.14Å; R823-D910 IonicContact NH2-OD2 3.64Å; R823-D910 PolarHBondContact NH2-OD2 2.91Å |
| 824 | S | 96.4 | Very high | 96.2 | Very high | 59 Ų | 59 | 33.1 Ų | 33.1 | 41% | 0.413 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -56.2 | -34.6 | 177.2 | 62.4 | 0 | 0 | 0 | 0 | 114.3 | T822 Y826 G827 E830 | T822-S824 VanDerWaalsContact C-N 3.32Å; T822-S824 PolarHBondContact OG1-OG 3.05Å; S824-Y826 PolarHBondContact O-N 3.46Å; S824-G827 PolarHBondContact O-N 3.05Å; S824-E830 PolarHBondContact N-OE1 3.33Å |
| 825 | Q | 97.6 | Very high | 96.3 | Very high | 30 Ų | 30 | 30.8 Ų | 30.8 | 14% | 0.14 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -57.4 | -29.4 | 175.7 | -81 | 167.8 | -27.7 | 0 | 0 | 113.2 | I781 N797 L799 V820 T821 T822 R823 | I781-Q825 HydrophobicContact CG2-CG 4.04Å; N797-Q825 PolarHBondContact OD1-NE2 3.13Å; L799-Q825 HydrophobicContact CD1-CB 3.8Å; L799-Q825 HydrophobicContact CD1-CG 3.82Å; L799-Q825 HydrophobicContact CD2-CB 4.43Å; L799-Q825 HydrophobicContact CG-CB 4.07Å; L799-Q825 HydrophobicContact CG-CG 3.97Å; V820-Q825 PolarHBondContact O-NE2 3.46Å; T821-Q825 VanDerWaalsContact CA-OE1 3.3Å; T822-Q825 WeakPolarHBondContact O-CB 3.4Å; T822-Q825 PolarHBondContact O-N 3.2Å; T822-Q825 WeakPolarHBondContact OG1-CG 3.48Å; T822-Q825 PolarHBondContact OG1-N 3Å; T822-Q825 VanDerWaalsContact OG1-N 3.14Å; R823-Q825 VanDerWaalsContact C-N 3.27Å; R823-Q825 PolarHBondContact O-N 3.17Å |
| 826 | Y | 97.8 | Very high | 96.7 | Very high | 19 Ų | 19 | 30.6 Ų | 30.6 | 8% | 0.075 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -111.9 | 12.1 | -176.3 | -56.6 | -81.8 | 0 | 0 | 0 | 112.8 | L799 T821 T822 R823 S824 L828 W865 E901 R905 L908 | L799-Y826 HydrophobicContact CD2-CE1 3.75Å; T821-Y826 HydrophobicContact CG2-CE2 4.11Å; T822-Y826 WeakPolarHBondContact O-CD2 3.45Å; R823-Y826 PolarHBondContact O-N 3.2Å; S824-Y826 PolarHBondContact O-N 3.46Å; Y826-L828 PolarHBondContact O-N 3.37Å; Y826-W865 HydrophobicContact CD1-CH2 4.25Å; Y826-W865 AromaticContact CD1-CZ2 3.72Å; Y826-W865 HydrophobicContact CD1-CZ2 3.72Å; Y826-W865 HydrophobicContact CD2-CH2 4.02Å; Y826-W865 HydrophobicContact CD2-CZ2 4.18Å; Y826-W865 HydrophobicContact CE1-CZ2 4.44Å; Y826-W865 HydrophobicContact CE2-CH2 4.49Å; Y826-W865 AromaticContact CG-CH2 3.88Å; Y826-W865 HydrophobicContact CG-CH2 3.88Å; Y826-W865 AromaticContact CG-CZ2 3.56Å; Y826-W865 HydrophobicContact CG-CZ2 3.56Å; Y826-E901 VanDerWaalsContact OH-CG 3.3Å; Y826-E901 WeakPolarHBondContact OH-CG 3.46Å; Y826-E901 PolarHBondContact OH-OE1 3.23Å; Y826-R905 HydrophobicContact CE1-CB 4.48Å; Y826-R905 HydrophobicContact CE2-CB 3.95Å; Y826-L908 HydrophobicContact CD2-CD1 3.52Å; Y826-L908 HydrophobicContact CE2-CD1 3.63Å |
| 827 | G | 96.8 | Very high | 97.2 | Very high | 57 Ų | 57 | 21.1 Ų | 21.1 | 59% | 0.588 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 24.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R823 S824 | R823-G827 PolarHBondContact O-N 3.04Å; S824-G827 PolarHBondContact O-N 3.05Å |
| 828 | L | 98.1 | Very high | 97.4 | Very high | 8 Ų | 8 | 20 Ų | 20 | 4% | 0.042 | 12% | 0.123 | C | C | . | . | trans | -83.8 | 146 | 180 | -62.6 | 171.2 | 0 | 0 | 0 | 111.2 | R823 Y826 V834 W865 I892 L908 | R823-L828 HydrophobicContact CB-CB 3.81Å; R823-L828 HydrophobicContact CG-CB 3.99Å; R823-L828 HydrophobicContact CG-CD1 4.22Å; R823-L828 PolarHBondContact O-N 3.19Å; Y826-L828 PolarHBondContact O-N 3.37Å; L828-V834 HydrophobicContact CB-CG2 4.49Å; L828-V834 HydrophobicContact CD1-CG1 4.4Å; L828-V834 HydrophobicContact CD2-CG1 4.19Å; L828-V834 HydrophobicContact CD2-CG2 4.46Å; L828-W865 HydrophobicContact CD1-CD2 3.88Å; L828-W865 HydrophobicContact CD1-CE3 3.61Å; L828-W865 HydrophobicContact CD1-CH2 3.85Å; L828-W865 HydrophobicContact CD1-CZ2 4.1Å; L828-W865 HydrophobicContact CD1-CZ3 3.59Å; L828-W865 HydrophobicContact CD2-CB 4.1Å; L828-W865 HydrophobicContact CD2-CD2 3.82Å; L828-W865 HydrophobicContact CD2-CE3 4.27Å; L828-W865 HydrophobicContact CD2-CG 3.74Å; L828-W865 HydrophobicContact CG-CD2 4.36Å; L828-I892 HydrophobicContact CD2-CB 4.42Å; L828-I892 HydrophobicContact CD2-CD1 3.92Å; L828-I892 HydrophobicContact CD2-CG2 4.18Å; L828-L908 HydrophobicContact CD1-CB 4.41Å | ||
| 829 | P | 96.3 | Very high | 97.4 | Very high | 30 Ų | 30 | 20 Ų | 20 | 20% | 0.195 | 12% | 0.123 | C | C | . | . | trans | -68.5 | 140.5 | 176.7 | 29 | -36.2 | 0 | 0 | 0 | 112.2 | R823 S832 V863 | R823-P829 WeakPolarHBondContact CD-O 3.48Å; R823-P829 PolarHBondContact NH1-O 3.39Å; P829-S832 WeakPolarHBondContact CB-OG 3.25Å; P829-V863 HydrophobicContact CG-CB 4.48Å; P829-V863 HydrophobicContact CG-CG1 3.91Å; P829-V863 HydrophobicContact CG-CG2 3.71Å | ||
| 830 | E | 93.6 | Very high | 97.4 | Very high | 63 Ų | 63 | 24 Ų | 24 | 29% | 0.294 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -79.4 | -23.2 | -179.3 | -64.5 | -63.2 | 165.6 | 0 | 0 | 113 | R723 S824 | R723-E830 PolarHBondContact NE-O 3.14Å; R723-E830 PolarHBondContact NH2-O 2.68Å; S824-E830 PolarHBondContact N-OE1 3.33Å |
| 831 | D | 92.1 | Very high | 97.4 | Very high | 118 Ų | 118 | 24 Ų | 24 | 63% | 0.631 | 14% | 0.142 | S | C | * | . | S | Bend | trans | -117.9 | 10.1 | -171.1 | 62.4 | -25.5 | 0 | 0 | 0 | 114 | N861 | D831-N861 PolarHBondContact O-ND2 2.95Š|
| 832 | S | 95.4 | Very high | 97.3 | Very high | 13 Ų | 13 | 25.8 Ų | 25.8 | 9% | 0.091 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -112.7 | 163.1 | 178 | -46.4 | 0 | 0 | 0 | 0 | 113 | R723 R823 P829 N861 | R723-S832 PolarHBondContact NH2-O 3.38Å; R823-S832 PolarHBondContact NH1-O 3Å; P829-S832 WeakPolarHBondContact CB-OG 3.25Å; S832-N861 WeakPolarHBondContact CA-O 3.32Å; S832-N861 WeakPolarHBondContact CB-O 3.43Å; S832-N861 VanDerWaalsContact CB-OD1 3.3Å; S832-N861 WeakPolarHBondContact CB-OD1 3.49Å; S832-N861 PolarHBondContact OG-OD1 3.05Å |
| 833 | I | 98.6 | Very high | 97.3 | Very high | 12 Ų | 12 | 26.4 Ų | 26.4 | 6% | 0.062 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 131.4 | 166.2 | -65.3 | -63.1 | 0 | 0 | 0 | 110.1 | Y835 N861 S862 V863 D910 G975 M978 L981 | I833-Y835 HydrophobicContact CG2-CD2 4.03Å; I833-Y835 HydrophobicContact CG2-CE1 4.35Å; I833-Y835 HydrophobicContact CG2-CE2 3.69Å; I833-N861 PolarHBondContact N-O 3.13Å; I833-S862 CarbonylContact O-C 3.53Å; I833-S862 WeakPolarHBondContact O-CA 3.5Å; I833-S862 WeakPolarHBondContact O-CB 3.37Å; I833-V863 PolarHBondContact O-N 3.01Å; I833-D910 VanDerWaalsContact CA-OD2 3.32Å; I833-D910 WeakPolarHBondContact CA-OD2 3.5Å; I833-D910 HydrophobicContact CD1-CB 4.25Å; I833-D910 HydrophobicContact CG2-CB 4.07Å; I833-G975 WeakPolarHBondContact CG1-O 3.33Å; I833-M978 HydrophobicContact CD1-CE 3.71Å; I833-M978 HydrophobicContact CD1-SD 3.93Å; I833-M978 HydrophobicContact CG1-CE 4.16Å; I833-L981 HydrophobicContact CD1-CD2 3.88Å |
| 834 | V | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 102.7 | 175.4 | 176.9 | 0 | 0 | 0 | 0 | 108.3 | L828 V863 W865 A909 D910 V911 | L828-V834 HydrophobicContact CB-CG2 4.49Å; L828-V834 HydrophobicContact CD1-CG1 4.4Å; L828-V834 HydrophobicContact CD2-CG1 4.19Å; L828-V834 HydrophobicContact CD2-CG2 4.46Å; V834-V863 HydrophobicContact CB-CG2 4.36Å; V834-V863 HydrophobicContact CG1-CG2 4.46Å; V834-V863 HydrophobicContact CG2-CG2 3.76Å; V834-W865 HydrophobicContact CG1-CB 3.94Å; V834-W865 HydrophobicContact CG1-CE3 4.14Å; V834-A909 HydrophobicContact CG1-CB 4.36Å; V834-D910 PolarHBondContact N-OD2 3.03Å; V834-D910 PolarHBondContact O-N 2.57Å; V834-V911 PolarHBondContact O-N 3.42Å |
| 835 | Y | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 141.7 | 162.1 | -65.8 | -75.5 | 0 | 0 | 0 | 108.9 | I833 I855 L856 V863 L864 W865 V911 L913 A971 G975 | I833-Y835 HydrophobicContact CG2-CD2 4.03Å; I833-Y835 HydrophobicContact CG2-CE1 4.35Å; I833-Y835 HydrophobicContact CG2-CE2 3.69Å; Y835-I855 HydrophobicContact CD2-CG2 4.38Å; Y835-I855 HydrophobicContact CE1-CG2 4.2Å; Y835-I855 HydrophobicContact CE2-CG2 3.77Å; Y835-L856 HydrophobicContact CD2-CD2 4.08Å; Y835-V863 PolarHBondContact N-O 3.12Å; Y835-L864 CarbonylContact O-C 3.28Å; Y835-L864 WeakPolarHBondContact O-CA 3.32Å; Y835-W865 PolarHBondContact O-N 3.24Å; Y835-V911 CarbonylContact C-O 3.51Å; Y835-V911 WeakPolarHBondContact CA-O 3.38Å; Y835-V911 HydrophobicContact CD1-CB 3.74Å; Y835-V911 HydrophobicContact CD1-CG1 4.09Å; Y835-V911 HydrophobicContact CD1-CG2 4.49Å; Y835-V911 HydrophobicContact CE1-CB 3.9Å; Y835-V911 HydrophobicContact CE1-CG1 4.17Å; Y835-V911 HydrophobicContact CE1-CG2 4.21Å; Y835-L913 HydrophobicContact CD1-CD1 3.83Å; Y835-L913 HydrophobicContact CD1-CD2 3.75Å; Y835-L913 HydrophobicContact CD1-CG 3.69Å; Y835-L913 HydrophobicContact CE1-CD2 4.16Å; Y835-L913 HydrophobicContact CG-CD1 3.87Å; Y835-L913 HydrophobicContact CG-CG 4.12Å; Y835-A971 HydrophobicContact CE1-CB 4.31Å; Y835-A971 PolarHBondContact OH-O 3Å; Y835-G975 VanDerWaalsContact OH-CA 3.29Å; Y835-G975 WeakPolarHBondContact OH-CA 3.32Å |
| 836 | C | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 153.6 | 175.4 | 73.2 | 0 | 0 | 0 | 0 | 113.5 | F838 W865 A909 V911 C912 L913 | C836-F838 HydrophobicContact CB-CD1 4.46Å; C836-F838 HydrophobicContact CB-CE1 3.82Å; C836-F838 HydrophobicContact CB-CE2 4.38Å; C836-F838 HydrophobicContact CB-CZ 3.77Å; C836-W865 CarbonylContact C-O 3.52Å; C836-W865 VanDerWaalsContact CA-O 3.27Å; C836-W865 WeakPolarHBondContact CA-O 3.23Å; C836-W865 HydrophobicContact CB-CB 4.24Å; C836-W865 HydrophobicContact CB-CE3 4.38Å; C836-A909 HydrophobicContact CB-CB 3.85Å; C836-A909 WeakPolarHBondContact SG-CB 3.43Å; C836-V911 PolarHBondContact N-O 3.25Å; C836-C912 CarbonylContact O-C 3.51Å; C836-C912 VanDerWaalsContact O-CA 3.26Å; C836-C912 WeakPolarHBondContact O-CA 3.39Å; C836-C912 PolarHBondContact O-SG 2.94Å; C836-C912 VanDerWaalsContact O-SG 3.32Å; C836-L913 PolarHBondContact O-N 3.4Å |
| 837 | N | 98.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 122 | 160.1 | -175 | -56.5 | 0 | 0 | 0 | 108.2 | N839 W852 W865 L866 L867 L913 | N837-N839 PolarHBondContact ND2-ND2 2.98Å; N837-N839 VanDerWaalsContact OD1-CB 3.23Å; N837-N839 WeakPolarHBondContact OD1-CB 3.15Å; N837-N839 PolarHBondContact OD1-N 2.94Å; N837-N839 PolarHBondContact OD1-ND2 3.14Å; N837-W852 HydrophobicContact CB-CH2 3.79Å; N837-W852 HydrophobicContact CB-CZ2 4.21Å; N837-W865 PolarHBondContact N-O 2.99Å; N837-L866 HydrophobicContact CB-CD2 3.88Å; N837-L866 WeakPolarHBondContact O-CA 3.35Å; N837-L867 PolarHBondContact O-N 3.47Å; N837-L913 WeakPolarHBondContact CB-O 3.43Å; N837-L913 PolarHBondContact ND2-O 3.23Å |
| 838 | F | 98.6 | Very high | 97.6 | Very high | 3 Ų | 3 | 23 Ų | 23 | 1% | 0.013 | 12% | 0.121 | C | C | . | . | trans | -108.9 | 21.4 | -177.6 | -53.3 | -40.8 | 0 | 0 | 0 | 114 | C836 W865 L867 H902 T923 V927 | C836-F838 HydrophobicContact CB-CD1 4.46Å; C836-F838 HydrophobicContact CB-CE1 3.82Å; C836-F838 HydrophobicContact CB-CE2 4.38Å; C836-F838 HydrophobicContact CB-CZ 3.77Å; F838-W865 AromaticContact CE1-CD2 3.73Å; F838-W865 HydrophobicContact CE1-CD2 3.73Å; F838-W865 AromaticContact CE1-CE3 3.71Å; F838-W865 HydrophobicContact CE1-CE3 3.71Å; F838-W865 HydrophobicContact CE1-CG 4.22Å; F838-W865 HydrophobicContact CE1-CH2 4.49Å; F838-W865 HydrophobicContact CE1-CZ2 4.5Å; F838-W865 HydrophobicContact CE1-CZ3 4.11Å; F838-W865 HydrophobicContact CZ-CD2 4.03Å; F838-W865 AromaticContact CZ-CE3 3.5Å; F838-W865 HydrophobicContact CZ-CE3 3.5Å; F838-W865 HydrophobicContact CZ-CH2 4.11Å; F838-W865 AromaticContact CZ-CZ3 3.55Å; F838-W865 HydrophobicContact CZ-CZ3 3.55Å; F838-L867 WeakPolarHBondContact O-CD2 3.48Å; F838-H902 VanDerWaalsContact CB-CE1 3.44Å; F838-H902 WeakPolarHBondContact CB-CE1 3.45Å; F838-T923 HydrophobicContact CB-CG2 3.97Å; F838-V927 HydrophobicContact CD2-CG1 4.12Å | ||
| 839 | N | 98.1 | Very high | 97.6 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.021 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -73.3 | 163.7 | 169.8 | -71.3 | -80.6 | 0 | 0 | 0 | 110.9 | N837 K843 G920 | N837-N839 PolarHBondContact ND2-ND2 2.98Å; N837-N839 VanDerWaalsContact OD1-CB 3.23Å; N837-N839 WeakPolarHBondContact OD1-CB 3.15Å; N837-N839 PolarHBondContact OD1-N 2.94Å; N837-N839 PolarHBondContact OD1-ND2 3.14Å; N839-K843 HydrophobicContact CB-CB 4.49Å; N839-K843 HydrophobicContact CB-CD 3.99Å; N839-K843 PolarHBondContact OD1-NZ 3.44Å; N839-G920 VanDerWaalsContact OD1-CA 3.24Å; N839-G920 WeakPolarHBondContact OD1-CA 3.23Å |
| 840 | Q | 97.2 | Very high | 97.8 | Very high | 83 Ų | 83 | 24.7 Ų | 24.7 | 39% | 0.388 | 13% | 0.127 | S | C | . | . | trans | -63.6 | 145.7 | 163.8 | -51.6 | -164.6 | 4.5 | 0 | 0 | 110.1 | Y842 K843 F869 | Q840-Y842 HydrophobicContact CB-CD1 3.57Å; Q840-Y842 HydrophobicContact CB-CE1 3.6Å; Q840-Y842 HydrophobicContact CG-CD1 4.44Å; Q840-Y842 HydrophobicContact CG-CE1 4.07Å; Q840-Y842 PolarHBondContact O-N 3.4Å; Q840-Y842 VanDerWaalsContact O-N 3.11Å; Q840-Y842 VanDerWaalsContact OE1-CE1 3.23Å; Q840-K843 PolarHBondContact O-N 3.3Å; Q840-F869 HydrophobicContact CB-CD1 4.26Å; Q840-F869 HydrophobicContact CG-CD1 3.73Å; Q840-F869 HydrophobicContact CG-CE1 4.14Å | ||
| 841 | L | 98 | Very high | 98 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | G | 310 helix | trans | -63.5 | -23 | -170.8 | -63.5 | 179 | 0 | 0 | 0 | 113.9 | C467 K843 I844 L867 F869 F893 | C467-L841 PolarHBondContact SG-O 3.26Å; L841-K843 PolarHBondContact O-N 2.91Å; L841-I844 HydrophobicContact CD2-CD1 3.73Å; L841-I844 WeakPolarHBondContact O-CB 3.14Å; L841-I844 PolarHBondContact O-N 3.29Å; L841-L867 WeakPolarHBondContact CD2-O 3.46Å; L841-F869 WeakPolarHBondContact CG-O 3.39Å; L841-F869 PolarHBondContact N-O 3.32Å; L841-F893 HydrophobicContact CD1-CE1 4.43Å; L841-F893 HydrophobicContact CD2-CE1 4.21Å |
| 842 | Y | 97.3 | Very high | 98.3 | Very high | 38 Ų | 38 | 16.2 Ų | 16.2 | 15% | 0.149 | 8% | 0.083 | C | C | . | . | G | 310 helix | trans | -60 | -18.1 | 178.6 | 78.2 | -106.4 | 0 | 0 | 0 | 114 | Q464 L502 Q840 I844 | Q464-Y842 PolarHBondContact NE2-O 3.35Å; L502-Y842 HydrophobicContact CD1-CD2 3.69Å; L502-Y842 HydrophobicContact CD1-CE2 4.08Å; L502-Y842 HydrophobicContact CD2-CD2 4.01Å; L502-Y842 HydrophobicContact CD2-CE2 4.07Å; Q840-Y842 HydrophobicContact CB-CD1 3.57Å; Q840-Y842 HydrophobicContact CB-CE1 3.6Å; Q840-Y842 HydrophobicContact CG-CD1 4.44Å; Q840-Y842 HydrophobicContact CG-CE1 4.07Å; Q840-Y842 PolarHBondContact O-N 3.4Å; Q840-Y842 VanDerWaalsContact O-N 3.11Å; Q840-Y842 VanDerWaalsContact OE1-CE1 3.23Å; Y842-I844 VanDerWaalsContact C-N 3.29Å |
| 843 | K | 98.6 | Very high | 98.5 | Very high | 15 Ų | 15 | 15.6 Ų | 15.6 | 7% | 0.065 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -82.1 | -8.2 | 176.7 | -60.6 | -167.9 | -174.4 | 179.1 | 0 | 113.4 | N839 Q840 L841 T915 C918 N919 | N839-K843 HydrophobicContact CB-CB 4.49Å; N839-K843 HydrophobicContact CB-CD 3.99Å; N839-K843 PolarHBondContact OD1-NZ 3.44Å; Q840-K843 PolarHBondContact O-N 3.3Å; L841-K843 PolarHBondContact O-N 2.91Å; K843-T915 HydrophobicContact CB-CG2 4.07Å; K843-T915 WeakPolarHBondContact O-CB 3.47Å; K843-T915 WeakPolarHBondContact O-CG2 3.38Å; K843-C918 HydrophobicContact CB-CB 4.47Å; K843-C918 HydrophobicContact CD-CB 4.09Å; K843-C918 WeakPolarHBondContact CD-O 3.45Å; K843-C918 HydrophobicContact CG-CB 4.14Å; K843-N919 PolarHBondContact NZ-O 2.99Å |
| 844 | I | 98.6 | Very high | 98.5 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | trans | -91.3 | 130.3 | 176.1 | -52.7 | 168.1 | 0 | 0 | 0 | 108.2 | Q464 W469 L841 Y842 T848 L849 W852 I877 T915 | Q464-I844 PolarHBondContact NE2-O 3.16Å; W469-I844 HydrophobicContact CH2-CG2 3.94Å; W469-I844 HydrophobicContact CZ2-CB 4.49Å; W469-I844 HydrophobicContact CZ2-CG2 4.08Å; W469-I844 WeakPolarHBondContact CZ2-O 3.39Å; L841-I844 HydrophobicContact CD2-CD1 3.73Å; L841-I844 WeakPolarHBondContact O-CB 3.14Å; L841-I844 PolarHBondContact O-N 3.29Å; Y842-I844 VanDerWaalsContact C-N 3.29Å; I844-T848 HydrophobicContact CG2-CG2 4.35Å; I844-L849 HydrophobicContact CG2-CB 4.25Å; I844-W852 HydrophobicContact CD1-CH2 3.97Å; I844-W852 HydrophobicContact CD1-CZ3 3.67Å; I844-W852 HydrophobicContact CG1-CH2 3.81Å; I844-W852 HydrophobicContact CG1-CZ3 3.91Å; I844-W852 HydrophobicContact CG2-CZ3 4.2Å; I844-I877 HydrophobicContact CG2-CD1 4.3Å; I844-T915 HydrophobicContact CG1-CG2 3.93Å | ||
| 845 | D | 98.3 | Very high | 98.5 | Very high | 14 Ų | 14 | 17.1 Ų | 17.1 | 8% | 0.075 | 9% | 0.087 | C | C | . | . | trans | -117.8 | 168.5 | 171.4 | 69 | -11.5 | 0 | 0 | 0 | 110.5 | P847 T848 L849 L917 | D845-P847 VanDerWaalsContact C-N 3.34Å; D845-T848 PolarHBondContact O-N 3.32Å; D845-T848 VanDerWaalsContact O-N 3.08Å; D845-T848 WeakPolarHBondContact OD1-CB 3.23Å; D845-T848 PolarHBondContact OD1-N 3.14Å; D845-T848 PolarHBondContact OD1-OG1 3.44Å; D845-L849 PolarHBondContact O-N 3.42Å; D845-L849 VanDerWaalsContact O-N 3.07Å; D845-L917 HydrophobicContact CB-CD2 4.01Å | ||
| 846 | P | 98.4 | Very high | 98.5 | Very high | 31 Ų | 31 | 17.2 Ų | 17.2 | 20% | 0.201 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -54.7 | -43.7 | 180 | -19.2 | 26.6 | 0 | 0 | 0 | 113.3 | W469 Y472 T848 L849 Q850 | W469-P846 HydrophobicContact CB-CG 4.01Å; W469-P846 HydrophobicContact CD2-CB 4.42Å; W469-P846 HydrophobicContact CD2-CG 3.67Å; W469-P846 HydrophobicContact CE3-CB 4.11Å; W469-P846 HydrophobicContact CE3-CG 3.86Å; W469-P846 HydrophobicContact CG-CG 3.75Å; W469-P846 HydrophobicContact CZ3-CB 4.46Å; Y472-P846 HydrophobicContact CD1-CG 4.05Å; Y472-P846 HydrophobicContact CD2-CG 4.1Å; Y472-P846 HydrophobicContact CE1-CG 4.31Å; Y472-P846 HydrophobicContact CE2-CG 4.34Å; Y472-P846 HydrophobicContact CG-CG 3.96Å; P846-T848 VanDerWaalsContact C-N 3.33Å; P846-T848 PolarHBondContact O-N 3.48Å; P846-L849 PolarHBondContact O-N 2.59Å; P846-Q850 WeakPolarHBondContact O-CB 3.4Å; P846-Q850 PolarHBondContact O-N 2.98Å |
| 847 | P | 98.3 | Very high | 98.5 | Very high | 46 Ų | 46 | 21.9 Ų | 21.9 | 30% | 0.299 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -60.5 | -35.7 | 175.3 | -25.2 | 34.3 | 0 | 0 | 0 | 114.6 | D845 M851 R964 | D845-P847 VanDerWaalsContact C-N 3.34Å; P847-M851 WeakPolarHBondContact O-CG 3.43Å; P847-M851 PolarHBondContact O-N 3.45Å; P847-R964 VanDerWaalsContact CB-CZ 3.43Å |
| 848 | T | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.006 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.5 | -48.2 | 175.8 | -61.8 | 0 | 0 | 0 | 0 | 111.5 | I844 D845 P846 Q850 M851 W852 T915 | I844-T848 HydrophobicContact CG2-CG2 4.35Å; D845-T848 PolarHBondContact O-N 3.32Å; D845-T848 VanDerWaalsContact O-N 3.08Å; D845-T848 WeakPolarHBondContact OD1-CB 3.23Å; D845-T848 PolarHBondContact OD1-N 3.14Å; D845-T848 PolarHBondContact OD1-OG1 3.44Å; P846-T848 VanDerWaalsContact C-N 3.33Å; P846-T848 PolarHBondContact O-N 3.48Å; T848-Q850 PolarHBondContact O-N 3.01Å; T848-M851 PolarHBondContact O-N 3.1Å; T848-W852 HydrophobicContact CG2-CD2 3.99Å; T848-W852 VanDerWaalsContact CG2-CE2 3.43Å; T848-W852 HydrophobicContact CG2-CE3 4.41Å; T848-W852 HydrophobicContact CG2-CH2 3.95Å; T848-W852 HydrophobicContact CG2-CZ2 3.42Å; T848-W852 VanDerWaalsContact CG2-CZ2 3.42Å; T848-W852 HydrophobicContact CG2-CZ3 4.41Å; T848-W852 PolarHBondContact O-N 3.2Å; T848-W852 VanDerWaalsContact O-N 3.11Å; T848-T915 HydrophobicContact CG2-CG2 4.2Å |
| 849 | L | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.4 | -35.2 | 178.4 | -173.1 | 65.6 | 0 | 0 | 0 | 111.4 | W469 I844 D845 P846 W852 A853 I877 M884 | W469-L849 HydrophobicContact CH2-CB 3.91Å; W469-L849 HydrophobicContact CH2-CD2 3.9Å; W469-L849 HydrophobicContact CZ3-CB 4.05Å; W469-L849 HydrophobicContact CZ3-CD2 3.59Å; W469-L849 HydrophobicContact CZ3-CG 4.46Å; I844-L849 HydrophobicContact CG2-CB 4.25Å; D845-L849 PolarHBondContact O-N 3.42Å; D845-L849 VanDerWaalsContact O-N 3.07Å; P846-L849 PolarHBondContact O-N 2.59Å; L849-W852 HydrophobicContact CD1-CE3 4.29Å; L849-W852 PolarHBondContact O-N 3.27Å; L849-A853 WeakPolarHBondContact O-CB 3.42Å; L849-A853 PolarHBondContact O-N 2.64Å; L849-I877 HydrophobicContact CD1-CG2 4.21Å; L849-I877 HydrophobicContact CD2-CD1 4.3Å; L849-I877 HydrophobicContact CD2-CG2 4.44Å; L849-M884 HydrophobicContact CB-CE 4.36Å; L849-M884 HydrophobicContact CD2-CE 4.3Å; L849-M884 HydrophobicContact CD2-SD 4.31Å; L849-M884 HydrophobicContact CG-CE 4.34Å; L849-M884 HydrophobicContact CG-SD 4.1Å |
| 850 | Q | 98.8 | Very high | 98.4 | Very high | 73 Ų | 73 | 31.4 Ų | 31.4 | 34% | 0.341 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -61.4 | -45.4 | 175.7 | -174.5 | 60.7 | 67 | 0 | 0 | 112.4 | P846 T848 W852 A853 N854 M884 | P846-Q850 WeakPolarHBondContact O-CB 3.4Å; P846-Q850 PolarHBondContact O-N 2.98Å; T848-Q850 PolarHBondContact O-N 3.01Å; Q850-W852 VanDerWaalsContact C-N 3.35Å; Q850-W852 PolarHBondContact O-N 3.24Å; Q850-A853 PolarHBondContact O-N 3.08Å; Q850-N854 PolarHBondContact NE2-OD1 3Å; Q850-N854 PolarHBondContact O-N 3.48Å; Q850-N854 PolarHBondContact O-ND2 3.31Å; Q850-N854 PolarHBondContact O-OD1 3.2Å; Q850-M884 HydrophobicContact CB-CE 4.11Å; Q850-M884 HydrophobicContact CB-SD 4.41Å |
| 851 | M | 98.9 | Very high | 98.3 | Very high | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.015 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.7 | -44.5 | 175.9 | -66.4 | -173.9 | -57.1 | 0 | 0 | 111.2 | P847 T848 A853 N854 I855 P916 R964 Y967 E968 | P847-M851 WeakPolarHBondContact O-CG 3.43Å; P847-M851 PolarHBondContact O-N 3.45Å; T848-M851 PolarHBondContact O-N 3.1Å; M851-A853 VanDerWaalsContact C-N 3.28Å; M851-A853 PolarHBondContact O-N 2.96Å; M851-N854 WeakPolarHBondContact O-CB 3.38Å; M851-N854 PolarHBondContact O-N 2.96Å; M851-N854 VanDerWaalsContact O-N 3.17Å; M851-I855 WeakPolarHBondContact O-CG1 3.31Å; M851-I855 PolarHBondContact O-N 3.11Å; M851-P916 HydrophobicContact CE-CG 3.73Å; M851-R964 HydrophobicContact CG-CB 4.29Å; M851-R964 HydrophobicContact SD-CB 3.58Å; M851-R964 VanDerWaalsContact SD-CB 3.58Å; M851-R964 HydrophobicContact SD-CG 3.59Å; M851-R964 VanDerWaalsContact SD-CG 3.59Å; M851-Y967 HydrophobicContact CB-CD1 4.48Å; M851-Y967 HydrophobicContact CE-CD1 4.17Å; M851-Y967 HydrophobicContact CE-CE1 4.34Å; M851-Y967 HydrophobicContact SD-CD1 4.1Å; M851-Y967 HydrophobicContact SD-CG 4.4Å; M851-E968 HydrophobicContact CB-CG 4.13Å; M851-E968 HydrophobicContact CG-CG 4.43Å |
| 852 | W | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.2 | -37.2 | 177.8 | -61.7 | -7.9 | 0 | 0 | 0 | 111.6 | N837 I844 T848 L849 Q850 I855 L856 L864 L866 L913 T915 Y967 | N837-W852 HydrophobicContact CB-CH2 3.79Å; N837-W852 HydrophobicContact CB-CZ2 4.21Å; I844-W852 HydrophobicContact CD1-CH2 3.97Å; I844-W852 HydrophobicContact CD1-CZ3 3.67Å; I844-W852 HydrophobicContact CG1-CH2 3.81Å; I844-W852 HydrophobicContact CG1-CZ3 3.91Å; I844-W852 HydrophobicContact CG2-CZ3 4.2Å; T848-W852 HydrophobicContact CG2-CD2 3.99Å; T848-W852 VanDerWaalsContact CG2-CE2 3.43Å; T848-W852 HydrophobicContact CG2-CE3 4.41Å; T848-W852 HydrophobicContact CG2-CH2 3.95Å; T848-W852 HydrophobicContact CG2-CZ2 3.42Å; T848-W852 VanDerWaalsContact CG2-CZ2 3.42Å; T848-W852 HydrophobicContact CG2-CZ3 4.41Å; T848-W852 PolarHBondContact O-N 3.2Å; T848-W852 VanDerWaalsContact O-N 3.11Å; L849-W852 HydrophobicContact CD1-CE3 4.29Å; L849-W852 PolarHBondContact O-N 3.27Å; Q850-W852 VanDerWaalsContact C-N 3.35Å; Q850-W852 PolarHBondContact O-N 3.24Å; W852-I855 PolarHBondContact O-N 2.92Å; W852-L856 WeakPolarHBondContact O-CB 3.41Å; W852-L856 VanDerWaalsContact O-CG 3.31Å; W852-L856 WeakPolarHBondContact O-CG 3.4Å; W852-L856 PolarHBondContact O-N 3.37Å; W852-L864 HydrophobicContact CB-CD2 4.23Å; W852-L864 HydrophobicContact CD2-CD2 4.22Å; W852-L864 HydrophobicContact CE3-CD1 4.46Å; W852-L864 HydrophobicContact CE3-CD2 3.56Å; W852-L864 HydrophobicContact CZ3-CD2 4.22Å; W852-L866 HydrophobicContact CH2-CD2 4.41Å; W852-L866 HydrophobicContact CZ3-CD2 3.85Å; W852-L913 HydrophobicContact CG-CD1 4.08Å; W852-L913 HydrophobicContact CZ2-CB 4.39Å; W852-L913 WeakPolarHBondContact CZ2-O 3.4Å; W852-T915 HydrophobicContact CH2-CG2 3.85Å; W852-T915 HydrophobicContact CZ2-CG2 3.91Å; W852-Y967 PolarHBondContact NE1-OH 3.19Å |
| 853 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.4 | -41.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L849 Q850 M851 L856 K857 M884 L886 | L849-A853 WeakPolarHBondContact O-CB 3.42Å; L849-A853 PolarHBondContact O-N 2.64Å; Q850-A853 PolarHBondContact O-N 3.08Å; M851-A853 VanDerWaalsContact C-N 3.28Å; M851-A853 PolarHBondContact O-N 2.96Å; A853-L856 PolarHBondContact O-N 3.17Å; A853-K857 VanDerWaalsContact O-CG 3.32Å; A853-K857 WeakPolarHBondContact O-CG 3.13Å; A853-K857 PolarHBondContact O-N 3.17Å; A853-M884 HydrophobicContact CB-CB 4.13Å; A853-M884 HydrophobicContact CB-SD 3.91Å; A853-L886 HydrophobicContact CB-CD1 3.59Å; A853-L886 HydrophobicContact CB-CG 4.09Å |
| 854 | N | 98.8 | Very high | 98.5 | Very high | 44 Ų | 44 | 29.6 Ų | 29.6 | 24% | 0.235 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.6 | -44.4 | 175.7 | -64.8 | -14.7 | 0 | 0 | 0 | 111.6 | Q850 M851 L856 K857 R858 E968 | Q850-N854 PolarHBondContact NE2-OD1 3Å; Q850-N854 PolarHBondContact O-N 3.48Å; Q850-N854 PolarHBondContact O-ND2 3.31Å; Q850-N854 PolarHBondContact O-OD1 3.2Å; M851-N854 WeakPolarHBondContact O-CB 3.38Å; M851-N854 PolarHBondContact O-N 2.96Å; M851-N854 VanDerWaalsContact O-N 3.17Å; N854-L856 PolarHBondContact O-N 3.17Å; N854-K857 PolarHBondContact O-N 3.31Å; N854-R858 WeakPolarHBondContact O-CG 3.45Å; N854-R858 PolarHBondContact O-N 3.45Å; N854-E968 HydrophobicContact CB-CG 4.49Å; N854-E968 VanDerWaalsContact CB-OE2 3.26Å; N854-E968 WeakPolarHBondContact CB-OE2 3.12Å; N854-E968 PolarHBondContact ND2-OE1 3.3Å |
| 855 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.9 | -49.7 | 175.4 | -67.8 | 159.9 | 0 | 0 | 0 | 110.6 | Y835 M851 W852 K857 R858 V859 L913 Y967 E968 A971 V972 | Y835-I855 HydrophobicContact CD2-CG2 4.38Å; Y835-I855 HydrophobicContact CE1-CG2 4.2Å; Y835-I855 HydrophobicContact CE2-CG2 3.77Å; M851-I855 WeakPolarHBondContact O-CG1 3.31Å; M851-I855 PolarHBondContact O-N 3.11Å; W852-I855 PolarHBondContact O-N 2.92Å; I855-K857 VanDerWaalsContact C-N 3.29Å; I855-K857 PolarHBondContact O-N 3.37Å; I855-R858 PolarHBondContact O-N 2.98Å; I855-R858 VanDerWaalsContact O-N 3.14Å; I855-V859 PolarHBondContact O-N 2.89Å; I855-L913 HydrophobicContact CD1-CD1 4.03Å; I855-L913 HydrophobicContact CD1-CD2 4.26Å; I855-Y967 HydrophobicContact CD1-CD1 4.08Å; I855-Y967 HydrophobicContact CD1-CE1 3.8Å; I855-E968 HydrophobicContact CD1-CG 4.36Å; I855-E968 HydrophobicContact CG1-CB 4.04Å; I855-E968 HydrophobicContact CG1-CG 4.03Å; I855-A971 HydrophobicContact CD1-CB 3.55Å; I855-A971 HydrophobicContact CG1-CB 3.92Å; I855-A971 HydrophobicContact CG2-CB 4.04Å; I855-V972 HydrophobicContact CB-CG2 4.42Å; I855-V972 HydrophobicContact CG1-CG2 4.34Å; I855-V972 HydrophobicContact CG2-CG2 4.24Å |
| 856 | L | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.2 | -30.4 | -179.9 | -71.5 | 177 | 0 | 0 | 0 | 113 | Y835 W852 A853 N854 V859 S862 L864 L886 R890 | Y835-L856 HydrophobicContact CD2-CD2 4.08Å; W852-L856 WeakPolarHBondContact O-CB 3.41Å; W852-L856 VanDerWaalsContact O-CG 3.31Å; W852-L856 WeakPolarHBondContact O-CG 3.4Å; W852-L856 PolarHBondContact O-N 3.37Å; A853-L856 PolarHBondContact O-N 3.17Å; N854-L856 PolarHBondContact O-N 3.17Å; L856-V859 CarbonylContact O-C 3.58Å; L856-S862 VanDerWaalsContact CD2-OG 3.29Å; L856-S862 WeakPolarHBondContact CD2-OG 3.36Å; L856-L864 HydrophobicContact CD1-CB 3.83Å; L856-L864 HydrophobicContact CD2-CB 4.29Å; L856-L886 HydrophobicContact CB-CD1 4.3Å; L856-L886 HydrophobicContact CB-CD2 3.87Å; L856-L886 HydrophobicContact CD1-CD1 3.68Å; L856-R890 HydrophobicContact CD1-CB 4.46Å; L856-R890 PolarHBondContact O-NH1 3.49Å; L856-R890 PolarHBondContact O-NH2 2.95Å |
| 857 | K | 98.6 | Very high | 98.4 | Very high | 99 Ų | 99 | 28 Ų | 28 | 43% | 0.43 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -71.7 | -39 | 172.8 | -72.9 | 170.4 | -176.1 | 175.4 | 0 | 112.1 | A853 N854 I855 V859 M884 L886 | A853-K857 VanDerWaalsContact O-CG 3.32Å; A853-K857 WeakPolarHBondContact O-CG 3.13Å; A853-K857 PolarHBondContact O-N 3.17Å; N854-K857 PolarHBondContact O-N 3.31Å; I855-K857 VanDerWaalsContact C-N 3.29Å; I855-K857 PolarHBondContact O-N 3.37Å; K857-V859 VanDerWaalsContact C-N 3.34Å; K857-M884 WeakPolarHBondContact CE-O 3.36Å; K857-M884 PolarHBondContact NZ-O 3.25Å; K857-L886 HydrophobicContact CG-CD2 3.99Å |
| 858 | R | 98.7 | Very high | 98.4 | Very high | 100 Ų | 100 | 30.8 Ų | 30.8 | 38% | 0.377 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -75.9 | -20.8 | 179.6 | -69.6 | 171.1 | 64.3 | -171.7 | -1 | 113.1 | N854 I855 P860 E968 D969 V972 | N854-R858 WeakPolarHBondContact O-CG 3.45Å; N854-R858 PolarHBondContact O-N 3.45Å; I855-R858 PolarHBondContact O-N 2.98Å; I855-R858 VanDerWaalsContact O-N 3.14Å; R858-P860 WeakPolarHBondContact O-CD 3.44Å; R858-E968 IonicContact NH1-OE2 2.65Å; R858-D969 IonicContact CZ-OD1 3.74Å; R858-D969 VanDerWaalsContact CZ-OD1 3.23Å; R858-D969 IonicContact NH1-OD1 3.59Å; R858-D969 PolarHBondContact NH1-OD1 3.43Å; R858-D969 IonicContact NH2-OD1 3.78Å; R858-D969 PolarHBondContact NH2-OD1 3.48Å; R858-V972 HydrophobicContact CB-CG1 4.15Å; R858-V972 HydrophobicContact CB-CG2 3.64Å; R858-V972 HydrophobicContact CG-CG2 4.47Å |
| 859 | V | 98.5 | Very high | 98.2 | Very high | 6 Ų | 6 | 34.8 Ų | 34.8 | 4% | 0.036 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -118.3 | 82.9 | 171.6 | -170.5 | 0 | 0 | 0 | 0 | 109.3 | I855 L856 K857 N861 S862 R890 V972 G975 | I855-V859 PolarHBondContact O-N 2.89Å; L856-V859 CarbonylContact O-C 3.58Å; K857-V859 VanDerWaalsContact C-N 3.34Å; V859-N861 VanDerWaalsContact C-N 3.3Å; V859-N861 PolarHBondContact O-N 3.03Å; V859-S862 WeakPolarHBondContact O-CB 3.4Å; V859-S862 PolarHBondContact O-N 2.85Å; V859-S862 PolarHBondContact O-OG 3.35Å; V859-R890 PolarHBondContact O-NH2 3.36Å; V859-R890 VanDerWaalsContact O-NH2 3.12Å; V859-V972 HydrophobicContact CG2-CB 4.26Å; V859-V972 HydrophobicContact CG2-CG1 4.08Å; V859-V972 HydrophobicContact CG2-CG2 4.1Å; V859-G975 WeakPolarHBondContact CG1-O 3.43Å |
| 860 | P | 96.4 | Very high | 98 | Very high | 101 Ų | 101 | 35.8 Ų | 35.8 | 66% | 0.656 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -59.9 | -35.8 | -170.2 | -26.6 | 35.3 | 0 | 0 | 0 | 114.4 | R858 S862 R890 | R858-P860 WeakPolarHBondContact O-CD 3.44Å; P860-S862 VanDerWaalsContact C-N 3.3Å; P860-S862 PolarHBondContact O-N 3.13Å; P860-R890 PolarHBondContact O-NH2 3.04Å |
| 861 | N | 96.4 | Very high | 97.8 | Very high | 87 Ų | 87 | 35 Ų | 35 | 47% | 0.465 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -90.6 | 59.5 | 177.2 | -171.8 | 26.7 | 0 | 0 | 0 | 111.7 | D831 S832 I833 V859 | D831-N861 PolarHBondContact O-ND2 2.95Å; S832-N861 WeakPolarHBondContact CA-O 3.32Å; S832-N861 WeakPolarHBondContact CB-O 3.43Å; S832-N861 VanDerWaalsContact CB-OD1 3.3Å; S832-N861 WeakPolarHBondContact CB-OD1 3.49Å; S832-N861 PolarHBondContact OG-OD1 3.05Å; I833-N861 PolarHBondContact N-O 3.13Å; V859-N861 VanDerWaalsContact C-N 3.3Å; V859-N861 PolarHBondContact O-N 3.03Å |
| 862 | S | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 161.4 | 177.7 | 66.3 | 0 | 0 | 0 | 0 | 112.4 | I833 L856 V859 P860 R890 | I833-S862 CarbonylContact O-C 3.53Å; I833-S862 WeakPolarHBondContact O-CA 3.5Å; I833-S862 WeakPolarHBondContact O-CB 3.37Å; L856-S862 VanDerWaalsContact CD2-OG 3.29Å; L856-S862 WeakPolarHBondContact CD2-OG 3.36Å; V859-S862 WeakPolarHBondContact O-CB 3.4Å; V859-S862 PolarHBondContact O-N 2.85Å; V859-S862 PolarHBondContact O-OG 3.35Å; P860-S862 VanDerWaalsContact C-N 3.3Å; P860-S862 PolarHBondContact O-N 3.13Å; S862-R890 PolarHBondContact O-NE 3.42Å; S862-R890 PolarHBondContact O-NH2 2.94Å; S862-R890 PolarHBondContact OG-NH2 3.46Å |
| 863 | V | 98.8 | Very high | 97.6 | Very high | 11 Ų | 11 | 38 Ų | 38 | 7% | 0.067 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 156.8 | 171.6 | -63.7 | 0 | 0 | 0 | 0 | 109.7 | P829 I833 V834 Y835 R890 I892 | P829-V863 HydrophobicContact CG-CB 4.48Å; P829-V863 HydrophobicContact CG-CG1 3.91Å; P829-V863 HydrophobicContact CG-CG2 3.71Å; I833-V863 PolarHBondContact O-N 3.01Å; V834-V863 HydrophobicContact CB-CG2 4.36Å; V834-V863 HydrophobicContact CG1-CG2 4.46Å; V834-V863 HydrophobicContact CG2-CG2 3.76Å; Y835-V863 PolarHBondContact N-O 3.12Å; V863-R890 CarbonylContact C-O 3.44Å; V863-R890 WeakPolarHBondContact CA-O 3.16Å; V863-I892 HydrophobicContact CB-CD1 4.15Å; V863-I892 HydrophobicContact CG1-CD1 4.2Å; V863-I892 HydrophobicContact CG2-CD1 4.03Å |
| 864 | L | 98.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 124.4 | 170.2 | 176.3 | 67.1 | 0 | 0 | 0 | 109.5 | Y835 W852 L856 L866 R890 I891 I892 L913 | Y835-L864 CarbonylContact O-C 3.28Å; Y835-L864 WeakPolarHBondContact O-CA 3.32Å; W852-L864 HydrophobicContact CB-CD2 4.23Å; W852-L864 HydrophobicContact CD2-CD2 4.22Å; W852-L864 HydrophobicContact CE3-CD1 4.46Å; W852-L864 HydrophobicContact CE3-CD2 3.56Å; W852-L864 HydrophobicContact CZ3-CD2 4.22Å; L856-L864 HydrophobicContact CD1-CB 3.83Å; L856-L864 HydrophobicContact CD2-CB 4.29Å; L864-L866 HydrophobicContact CD1-CD2 3.98Å; L864-L866 HydrophobicContact CD2-CD1 4.07Å; L864-L866 HydrophobicContact CD2-CD2 3.96Å; L864-L866 HydrophobicContact CD2-CG 4.08Å; L864-L866 HydrophobicContact CG-CD1 4.46Å; L864-L866 HydrophobicContact CG-CD2 3.8Å; L864-L866 HydrophobicContact CG-CG 3.94Å; L864-R890 PolarHBondContact N-O 2.92Å; L864-I891 HydrophobicContact CB-CG1 4.46Å; L864-I891 CarbonylContact O-C 3.5Å; L864-I891 VanDerWaalsContact O-CA 3.32Å; L864-I891 WeakPolarHBondContact O-CA 3.49Å; L864-I892 PolarHBondContact O-N 2.99Å; L864-L913 HydrophobicContact CD1-CD1 4.33Å |
| 865 | W | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 112.1 | -178.4 | -172.3 | 27.3 | 0 | 0 | 0 | 110.8 | Y826 L828 V834 Y835 C836 N837 F838 I892 S894 R905 L908 | Y826-W865 HydrophobicContact CD1-CH2 4.25Å; Y826-W865 AromaticContact CD1-CZ2 3.72Å; Y826-W865 HydrophobicContact CD1-CZ2 3.72Å; Y826-W865 HydrophobicContact CD2-CH2 4.02Å; Y826-W865 HydrophobicContact CD2-CZ2 4.18Å; Y826-W865 HydrophobicContact CE1-CZ2 4.44Å; Y826-W865 HydrophobicContact CE2-CH2 4.49Å; Y826-W865 AromaticContact CG-CH2 3.88Å; Y826-W865 HydrophobicContact CG-CH2 3.88Å; Y826-W865 AromaticContact CG-CZ2 3.56Å; Y826-W865 HydrophobicContact CG-CZ2 3.56Å; L828-W865 HydrophobicContact CD1-CD2 3.88Å; L828-W865 HydrophobicContact CD1-CE3 3.61Å; L828-W865 HydrophobicContact CD1-CH2 3.85Å; L828-W865 HydrophobicContact CD1-CZ2 4.1Å; L828-W865 HydrophobicContact CD1-CZ3 3.59Å; L828-W865 HydrophobicContact CD2-CB 4.1Å; L828-W865 HydrophobicContact CD2-CD2 3.82Å; L828-W865 HydrophobicContact CD2-CE3 4.27Å; L828-W865 HydrophobicContact CD2-CG 3.74Å; L828-W865 HydrophobicContact CG-CD2 4.36Å; V834-W865 HydrophobicContact CG1-CB 3.94Å; V834-W865 HydrophobicContact CG1-CE3 4.14Å; Y835-W865 PolarHBondContact O-N 3.24Å; C836-W865 CarbonylContact C-O 3.52Å; C836-W865 VanDerWaalsContact CA-O 3.27Å; C836-W865 WeakPolarHBondContact CA-O 3.23Å; C836-W865 HydrophobicContact CB-CB 4.24Å; C836-W865 HydrophobicContact CB-CE3 4.38Å; N837-W865 PolarHBondContact N-O 2.99Å; F838-W865 AromaticContact CE1-CD2 3.73Å; F838-W865 HydrophobicContact CE1-CD2 3.73Å; F838-W865 AromaticContact CE1-CE3 3.71Å; F838-W865 HydrophobicContact CE1-CE3 3.71Å; F838-W865 HydrophobicContact CE1-CG 4.22Å; F838-W865 HydrophobicContact CE1-CH2 4.49Å; F838-W865 HydrophobicContact CE1-CZ2 4.5Å; F838-W865 HydrophobicContact CE1-CZ3 4.11Å; F838-W865 HydrophobicContact CZ-CD2 4.03Å; F838-W865 AromaticContact CZ-CE3 3.5Å; F838-W865 HydrophobicContact CZ-CE3 3.5Å; F838-W865 HydrophobicContact CZ-CH2 4.11Å; F838-W865 AromaticContact CZ-CZ3 3.55Å; F838-W865 HydrophobicContact CZ-CZ3 3.55Å; W865-I892 CarbonylContact C-O 3.3Å; W865-I892 WeakPolarHBondContact CA-O 3.49Å; W865-S894 VanDerWaalsContact NE1-CB 3.33Å; W865-S894 PolarHBondContact NE1-OG 3.23Å; W865-R905 HydrophobicContact CH2-CB 4.01Å; W865-R905 HydrophobicContact CH2-CG 3.8Å; W865-R905 HydrophobicContact CZ3-CG 4.45Å; W865-L908 HydrophobicContact CH2-CD1 4.46Å; W865-L908 HydrophobicContact CZ3-CB 4.3Å |
| 866 | L | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 150.4 | -174.5 | -61.8 | -176.9 | 0 | 0 | 0 | 112.6 | N837 W852 L864 I877 I891 I892 F893 S894 | N837-L866 HydrophobicContact CB-CD2 3.88Å; N837-L866 WeakPolarHBondContact O-CA 3.35Å; W852-L866 HydrophobicContact CH2-CD2 4.41Å; W852-L866 HydrophobicContact CZ3-CD2 3.85Å; L864-L866 HydrophobicContact CD1-CD2 3.98Å; L864-L866 HydrophobicContact CD2-CD1 4.07Å; L864-L866 HydrophobicContact CD2-CD2 3.96Å; L864-L866 HydrophobicContact CD2-CG 4.08Å; L864-L866 HydrophobicContact CG-CD1 4.46Å; L864-L866 HydrophobicContact CG-CD2 3.8Å; L864-L866 HydrophobicContact CG-CG 3.94Å; L866-I877 HydrophobicContact CD1-CG2 4.06Å; L866-I891 HydrophobicContact CD1-CG2 3.79Å; L866-I891 HydrophobicContact CG-CG2 4.15Å; L866-I892 PolarHBondContact N-O 3.06Å; L866-F893 HydrophobicContact CB-CD1 3.85Å; L866-F893 HydrophobicContact CB-CE1 3.63Å; L866-F893 HydrophobicContact CB-CZ 4.14Å; L866-F893 HydrophobicContact CD1-CE1 4.02Å; L866-F893 HydrophobicContact CD1-CZ 3.79Å; L866-F893 HydrophobicContact CG-CE1 4.46Å; L866-F893 WeakPolarHBondContact O-CA 3.45Å; L866-S894 PolarHBondContact O-N 3.28Å; L866-S894 VanDerWaalsContact O-N 3.07Å |
| 867 | L | 97.4 | Very high | 97.4 | Very high | 10 Ų | 10 | 44.5 Ų | 44.5 | 5% | 0.052 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 126.5 | 168.1 | -178 | 69 | 0 | 0 | 0 | 110.3 | N837 F838 L841 F869 V896 | N837-L867 PolarHBondContact O-N 3.47Å; F838-L867 WeakPolarHBondContact O-CD2 3.48Å; L841-L867 WeakPolarHBondContact CD2-O 3.46Å; L867-F869 VanDerWaalsContact C-N 3.26Å; L867-F869 HydrophobicContact CD2-CB 3.86Å; L867-F869 HydrophobicContact CG-CB 3.87Å; L867-F869 PolarHBondContact O-N 3.47Å; L867-V896 HydrophobicContact CD1-CB 4.45Å; L867-V896 HydrophobicContact CD1-CG2 4.06Å; L867-V896 HydrophobicContact CG-CG2 4.47Å |
| 868 | R | 96.3 | Very high | 97.4 | Very high | 106 Ų | 106 | 41.1 Ų | 41.1 | 40% | 0.4 | 22% | 0.22 | S | C | . | . | trans | -79.6 | 70.7 | 174.5 | -167.4 | 173.5 | 67.7 | 180 | 1.8 | 111.2 | A871 E874 F893 S894 | R868-A871 HydrophobicContact CG-CB 3.97Å; R868-E874 WeakPolarHBondContact CD-OE2 3.34Å; R868-E874 WeakPolarHBondContact CG-OE2 3.48Å; R868-F893 HydrophobicContact CB-CB 4.15Å; R868-F893 HydrophobicContact CB-CD1 4.12Å; R868-F893 HydrophobicContact CG-CB 4.49Å; R868-F893 HydrophobicContact CG-CD1 4.46Å; R868-S894 VanDerWaalsContact CB-O 3.3Å; R868-S894 WeakPolarHBondContact CB-O 3.41Å; R868-S894 PolarHBondContact N-O 3.41Å | ||
| 869 | F | 95.4 | Very high | 97.4 | Very high | 84 Ų | 84 | 40.9 Ų | 40.9 | 37% | 0.368 | 22% | 0.223 | S | C | . | . | trans | -150.1 | 114.8 | -179.5 | -166.8 | -106.6 | 0 | 0 | 0 | 114.8 | Q840 L841 L867 V896 | Q840-F869 HydrophobicContact CB-CD1 4.26Å; Q840-F869 HydrophobicContact CG-CD1 3.73Å; Q840-F869 HydrophobicContact CG-CE1 4.14Å; L841-F869 WeakPolarHBondContact CG-O 3.39Å; L841-F869 PolarHBondContact N-O 3.32Å; L867-F869 VanDerWaalsContact C-N 3.26Å; L867-F869 HydrophobicContact CD2-CB 3.86Å; L867-F869 HydrophobicContact CG-CB 3.87Å; L867-F869 PolarHBondContact O-N 3.47Å; F869-V896 HydrophobicContact CB-CG2 3.67Å; F869-V896 HydrophobicContact CD2-CG2 3.55Å; F869-V896 HydrophobicContact CE2-CG2 4.39Å; F869-V896 HydrophobicContact CG-CG2 3.72Å | ||
| 870 | P | 94.8 | Very high | 97.4 | Very high | 23 Ų | 23 | 42.6 Ų | 42.6 | 15% | 0.149 | 23% | 0.229 | C | C | . | . | S | Bend | cis | -72.8 | 154.5 | -6.2 | 33.1 | -36.2 | 0 | 0 | 0 | 111.6 | I465 V872 G873 | I465-P870 HydrophobicContact CG2-CG 3.59Å; P870-V872 HydrophobicContact CB-CG2 4.08Å; P870-V872 HydrophobicContact CG-CG2 4.07Å; P870-V872 PolarHBondContact O-N 3.45Å; P870-G873 PolarHBondContact O-N 3.11Å; P870-G873 VanDerWaalsContact O-N 3.11Å |
| 871 | A | 94.8 | Very high | 97.5 | Very high | 56 Ų | 56 | 37.9 Ų | 37.9 | 46% | 0.463 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -60.7 | -30.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | R868 G873 E874 | R868-A871 HydrophobicContact CG-CB 3.97Å; A871-G873 PolarHBondContact O-N 3.25Å; A871-G873 VanDerWaalsContact O-N 3.17Å; A871-E874 WeakPolarHBondContact O-CB 3.38Å; A871-E874 PolarHBondContact O-N 2.92Å |
| 872 | V | 95.6 | Very high | 97.5 | Very high | 66 Ų | 66 | 38.1 Ų | 38.1 | 40% | 0.4 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -66 | -14.3 | 178.6 | -64.1 | 0 | 0 | 0 | 0 | 113.9 | P436 V466 P870 | P436-V872 HydrophobicContact CG-CB 4.49Å; P436-V872 HydrophobicContact CG-CG1 3.9Å; P436-V872 HydrophobicContact CG-CG2 4.48Å; V466-V872 HydrophobicContact CB-CG2 4.3Å; V466-V872 HydrophobicContact CG1-CG2 3.55Å; P870-V872 HydrophobicContact CB-CG2 4.08Å; P870-V872 HydrophobicContact CG-CG2 4.07Å; P870-V872 PolarHBondContact O-N 3.45Å |
| 873 | G | 96.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -83.5 | -18.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | V466 P870 A871 N876 I877 | V466-G873 WeakPolarHBondContact O-CA 3.16Å; P870-G873 PolarHBondContact O-N 3.11Å; P870-G873 VanDerWaalsContact O-N 3.11Å; A871-G873 PolarHBondContact O-N 3.25Å; A871-G873 VanDerWaalsContact O-N 3.17Å; G873-N876 PolarHBondContact O-N 3.25Å; G873-I877 PolarHBondContact O-N 3.03Å; G873-I877 VanDerWaalsContact O-N 3.14Å |
| 874 | E | 97.6 | Very high | 97.4 | Very high | 50 Ų | 50 | 44.3 Ų | 44.3 | 23% | 0.234 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.9 | -48.5 | -178.5 | 164.3 | 174.4 | -175.2 | 0 | 0 | 113.1 | R868 A871 N876 I877 Q878 F893 | R868-E874 WeakPolarHBondContact CD-OE2 3.34Å; R868-E874 WeakPolarHBondContact CG-OE2 3.48Å; A871-E874 WeakPolarHBondContact O-CB 3.38Å; A871-E874 PolarHBondContact O-N 2.92Å; E874-N876 VanDerWaalsContact C-N 3.26Å; E874-N876 PolarHBondContact O-N 2.92Å; E874-I877 PolarHBondContact O-N 3.23Å; E874-Q878 HydrophobicContact CG-CG 4.36Å; E874-Q878 WeakPolarHBondContact O-CG 3.39Å; E874-Q878 PolarHBondContact O-N 2.9Å; E874-F893 HydrophobicContact CB-CD1 4.21Å; E874-F893 HydrophobicContact CB-CD2 4.39Å; E874-F893 HydrophobicContact CB-CE1 4.09Å; E874-F893 HydrophobicContact CB-CE2 4.29Å; E874-F893 HydrophobicContact CB-CG 4.34Å; E874-F893 HydrophobicContact CB-CZ 4.13Å; E874-F893 HydrophobicContact CG-CD1 4.28Å; E874-F893 HydrophobicContact CG-CD2 3.63Å; E874-F893 HydrophobicContact CG-CE1 4.35Å; E874-F893 HydrophobicContact CG-CE2 3.73Å; E874-F893 HydrophobicContact CG-CG 3.91Å; E874-F893 HydrophobicContact CG-CZ 4.08Å |
| 875 | P | 98 | Very high | 97.3 | Very high | 84 Ų | 84 | 46.9 Ų | 46.9 | 55% | 0.545 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.3 | -36.4 | 178.9 | -24.9 | 35 | 0 | 0 | 0 | 113.2 | Q878 Q879 | P875-Q878 PolarHBondContact O-N 3.3Å; P875-Q879 WeakPolarHBondContact O-CB 3.34Å; P875-Q879 PolarHBondContact O-N 3.45Å |
| 876 | N | 98.3 | Very high | 97.3 | Very high | 49 Ų | 49 | 47.2 Ų | 47.2 | 26% | 0.262 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.8 | -48.8 | 179.4 | -70.2 | -23 | 0 | 0 | 0 | 111 | V466 C467 G873 E874 Q878 Q879 Y880 | V466-N876 PolarHBondContact O-ND2 3.43Å; C467-N876 HydrophobicContact CB-CB 4.4Å; C467-N876 WeakPolarHBondContact O-CB 3.44Å; G873-N876 PolarHBondContact O-N 3.25Å; E874-N876 VanDerWaalsContact C-N 3.26Å; E874-N876 PolarHBondContact O-N 2.92Å; N876-Q878 VanDerWaalsContact C-N 3.3Å; N876-Q878 PolarHBondContact O-N 2.63Å; N876-Q879 PolarHBondContact O-N 2.93Å; N876-Q879 VanDerWaalsContact O-N 3.17Å; N876-Y880 HydrophobicContact CB-CE2 4.4Å; N876-Y880 WeakPolarHBondContact O-CD2 3.5Å; N876-Y880 PolarHBondContact O-N 3.14Å |
| 877 | I | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.7 | -44.6 | 175.6 | -67.9 | -66.4 | 0 | 0 | 0 | 111.1 | C467 W469 I844 L849 L866 G873 E874 Q879 Y880 A881 I891 F893 | C467-I877 HydrophobicContact CB-CD1 3.74Å; C467-I877 HydrophobicContact CB-CG1 4Å; W469-I877 HydrophobicContact CH2-CD1 3.5Å; W469-I877 VanDerWaalsContact CH2-CD1 3.5Å; W469-I877 HydrophobicContact CZ2-CD1 3.93Å; W469-I877 HydrophobicContact CZ3-CD1 4.29Å; I844-I877 HydrophobicContact CG2-CD1 4.3Å; L849-I877 HydrophobicContact CD1-CG2 4.21Å; L849-I877 HydrophobicContact CD2-CD1 4.3Å; L849-I877 HydrophobicContact CD2-CG2 4.44Å; L866-I877 HydrophobicContact CD1-CG2 4.06Å; G873-I877 PolarHBondContact O-N 3.03Å; G873-I877 VanDerWaalsContact O-N 3.14Å; E874-I877 PolarHBondContact O-N 3.23Å; I877-Q879 VanDerWaalsContact C-N 3.35Å; I877-Q879 PolarHBondContact O-N 3.36Å; I877-Y880 PolarHBondContact O-N 2.73Å; I877-A881 WeakPolarHBondContact O-CB 3.14Å; I877-A881 PolarHBondContact O-N 3.01Å; I877-I891 HydrophobicContact CG2-CD1 4.26Å; I877-F893 HydrophobicContact CB-CZ 4.1Å; I877-F893 HydrophobicContact CG2-CZ 3.92Å |
| 878 | Q | 98.3 | Very high | 96.9 | Very high | 27 Ų | 27 | 52.3 Ų | 52.3 | 13% | 0.126 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 177.2 | -71.8 | -71.8 | 5.1 | 0 | 0 | 111.6 | E874 P875 N876 A881 Q882 A888 I891 F893 | E874-Q878 HydrophobicContact CG-CG 4.36Å; E874-Q878 WeakPolarHBondContact O-CG 3.39Å; E874-Q878 PolarHBondContact O-N 2.9Å; P875-Q878 PolarHBondContact O-N 3.3Å; N876-Q878 VanDerWaalsContact C-N 3.3Å; N876-Q878 PolarHBondContact O-N 2.63Å; Q878-A881 PolarHBondContact O-N 3.25Å; Q878-Q882 WeakPolarHBondContact O-CB 3.5Å; Q878-Q882 VanDerWaalsContact O-CG 3.25Å; Q878-Q882 WeakPolarHBondContact O-CG 3.05Å; Q878-Q882 PolarHBondContact O-N 3.06Å; Q878-A888 PolarHBondContact OE1-O 3.39Å; Q878-I891 PolarHBondContact NE2-O 3.03Å; Q878-I891 VanDerWaalsContact NE2-O 3.12Å; Q878-F893 HydrophobicContact CG-CE2 4.16Å |
| 879 | Q | 98.1 | Very high | 96.9 | Very high | 96 Ų | 96 | 51.6 Ų | 51.6 | 45% | 0.449 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.6 | -45.4 | 177.8 | -173.7 | 62.4 | 59.3 | 0 | 0 | 112 | P875 N876 I877 Q882 N883 | P875-Q879 WeakPolarHBondContact O-CB 3.34Å; P875-Q879 PolarHBondContact O-N 3.45Å; N876-Q879 PolarHBondContact O-N 2.93Å; N876-Q879 VanDerWaalsContact O-N 3.17Å; I877-Q879 VanDerWaalsContact C-N 3.35Å; I877-Q879 PolarHBondContact O-N 3.36Å; Q879-Q882 PolarHBondContact O-N 3.33Å; Q879-N883 PolarHBondContact NE2-OD1 2.97Å; Q879-N883 PolarHBondContact O-N 3.42Å; Q879-N883 PolarHBondContact O-OD1 3.15Å |
| 880 | Y | 98.4 | Very high | 97 | Very high | 42 Ų | 42 | 49.2 Ų | 49.2 | 17% | 0.165 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 177.4 | -74.1 | -67 | 0 | 0 | 0 | 112.1 | C467 W469 T470 N876 I877 Q882 N883 M884 | C467-Y880 WeakPolarHBondContact O-CE2 3.29Å; W469-Y880 VanDerWaalsContact CA-OH 3.27Å; W469-Y880 WeakPolarHBondContact CA-OH 3.31Å; W469-Y880 HydrophobicContact CB-CE1 4.13Å; W469-Y880 HydrophobicContact CB-CE2 3.96Å; W469-Y880 HydrophobicContact CD2-CD2 4.1Å; W469-Y880 HydrophobicContact CD2-CE2 4.03Å; W469-Y880 AromaticContact CE3-CD1 4Å; W469-Y880 HydrophobicContact CE3-CD1 4Å; W469-Y880 AromaticContact CE3-CD2 3.36Å; W469-Y880 HydrophobicContact CE3-CD2 3.36Å; W469-Y880 HydrophobicContact CE3-CE1 4.26Å; W469-Y880 AromaticContact CE3-CE2 3.7Å; W469-Y880 HydrophobicContact CE3-CE2 3.7Å; W469-Y880 AromaticContact CE3-CG 3.57Å; W469-Y880 HydrophobicContact CE3-CG 3.57Å; W469-Y880 HydrophobicContact CG-CE2 4.17Å; W469-Y880 AromaticContact CZ3-CD2 3.8Å; W469-Y880 HydrophobicContact CZ3-CD2 3.8Å; W469-Y880 AromaticContact CZ3-CG 3.88Å; W469-Y880 HydrophobicContact CZ3-CG 3.88Å; W469-Y880 PolarHBondContact N-OH 3.49Å; T470-Y880 PolarHBondContact N-OH 3.23Å; N876-Y880 HydrophobicContact CB-CE2 4.4Å; N876-Y880 WeakPolarHBondContact O-CD2 3.5Å; N876-Y880 PolarHBondContact O-N 3.14Å; I877-Y880 PolarHBondContact O-N 2.73Å; Y880-Q882 PolarHBondContact O-N 3.48Å; Y880-N883 PolarHBondContact O-N 3.24Å; Y880-M884 VanDerWaalsContact O-CG 3.28Å; Y880-M884 WeakPolarHBondContact O-CG 3.35Å; Y880-M884 PolarHBondContact O-N 2.95Å |
| 881 | A | 98.1 | Very high | 97.2 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 2% | 0.017 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63 | -40.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I877 Q878 M884 G885 L886 I891 | I877-A881 WeakPolarHBondContact O-CB 3.14Å; I877-A881 PolarHBondContact O-N 3.01Å; Q878-A881 PolarHBondContact O-N 3.25Å; A881-M884 CarbonylContact O-C 3.51Å; A881-M884 WeakPolarHBondContact O-CA 3.35Å; A881-M884 WeakPolarHBondContact O-CB 3.47Å; A881-M884 PolarHBondContact O-N 3.29Å; A881-M884 VanDerWaalsContact O-N 3.14Å; A881-G885 PolarHBondContact O-N 3Å; A881-L886 HydrophobicContact CB-CB 4.32Å; A881-L886 HydrophobicContact CB-CD1 4.35Å; A881-L886 WeakPolarHBondContact O-CB 3.21Å; A881-L886 PolarHBondContact O-N 3.17Å; A881-I891 HydrophobicContact CB-CD1 3.41Å; A881-I891 VanDerWaalsContact CB-CD1 3.41Å |
| 882 | Q | 97.7 | Very high | 97.3 | Very high | 91 Ų | 91 | 47.2 Ų | 47.2 | 43% | 0.425 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 174.1 | -73.8 | 171.9 | 29.6 | 0 | 0 | 112 | Q878 Q879 Y880 M884 G885 L886 | Q878-Q882 WeakPolarHBondContact O-CB 3.5Å; Q878-Q882 VanDerWaalsContact O-CG 3.25Å; Q878-Q882 WeakPolarHBondContact O-CG 3.05Å; Q878-Q882 PolarHBondContact O-N 3.06Å; Q879-Q882 PolarHBondContact O-N 3.33Å; Y880-Q882 PolarHBondContact O-N 3.48Å; Q882-M884 PolarHBondContact O-N 3.42Å; Q882-G885 WeakPolarHBondContact O-CA 3.49Å; Q882-G885 PolarHBondContact O-N 3.44Å; Q882-L886 WeakPolarHBondContact CA-O 3.29Å |
| 883 | N | 97.6 | Very high | 97.5 | Very high | 113 Ų | 113 | 45.2 Ų | 45.2 | 60% | 0.604 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -62 | -30.5 | 174.6 | -64.8 | -8.4 | 0 | 0 | 0 | 111.7 | Q879 Y880 G885 | Q879-N883 PolarHBondContact NE2-OD1 2.97Å; Q879-N883 PolarHBondContact O-N 3.42Å; Q879-N883 PolarHBondContact O-OD1 3.15Å; Y880-N883 PolarHBondContact O-N 3.24Å; N883-G885 PolarHBondContact O-N 2.94Å |
| 884 | M | 98.1 | Very high | 97.5 | Very high | 30 Ų | 30 | 45.5 Ų | 45.5 | 15% | 0.148 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 1.9 | 171.9 | -65.5 | 171.3 | -175.7 | 0 | 0 | 113.1 | L849 Q850 A853 K857 Y880 A881 Q882 | L849-M884 HydrophobicContact CB-CE 4.36Å; L849-M884 HydrophobicContact CD2-CE 4.3Å; L849-M884 HydrophobicContact CD2-SD 4.31Å; L849-M884 HydrophobicContact CG-CE 4.34Å; L849-M884 HydrophobicContact CG-SD 4.1Å; Q850-M884 HydrophobicContact CB-CE 4.11Å; Q850-M884 HydrophobicContact CB-SD 4.41Å; A853-M884 HydrophobicContact CB-CB 4.13Å; A853-M884 HydrophobicContact CB-SD 3.91Å; K857-M884 WeakPolarHBondContact CE-O 3.36Å; K857-M884 PolarHBondContact NZ-O 3.25Å; Y880-M884 VanDerWaalsContact O-CG 3.28Å; Y880-M884 WeakPolarHBondContact O-CG 3.35Å; Y880-M884 PolarHBondContact O-N 2.95Å; A881-M884 CarbonylContact O-C 3.51Å; A881-M884 WeakPolarHBondContact O-CA 3.35Å; A881-M884 WeakPolarHBondContact O-CB 3.47Å; A881-M884 PolarHBondContact O-N 3.29Å; A881-M884 VanDerWaalsContact O-N 3.14Å; Q882-M884 PolarHBondContact O-N 3.42Å |
| 885 | G | 97.1 | Very high | 97.4 | Very high | 55 Ų | 55 | 46.3 Ų | 46.3 | 57% | 0.567 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | 24.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.9 | A881 Q882 N883 | A881-G885 PolarHBondContact O-N 3Å; Q882-G885 WeakPolarHBondContact O-CA 3.49Å; Q882-G885 PolarHBondContact O-N 3.44Å; N883-G885 PolarHBondContact O-N 2.94Å |
| 886 | L | 97.1 | Very high | 97.3 | Very high | 6 Ų | 6 | 46.4 Ų | 46.4 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | trans | -98.2 | 131.8 | 170.4 | -71.6 | 179.5 | 0 | 0 | 0 | 111.8 | A853 L856 K857 A881 Q882 | A853-L886 HydrophobicContact CB-CD1 3.59Å; A853-L886 HydrophobicContact CB-CG 4.09Å; L856-L886 HydrophobicContact CB-CD1 4.3Å; L856-L886 HydrophobicContact CB-CD2 3.87Å; L856-L886 HydrophobicContact CD1-CD1 3.68Å; K857-L886 HydrophobicContact CG-CD2 3.99Å; A881-L886 HydrophobicContact CB-CB 4.32Å; A881-L886 HydrophobicContact CB-CD1 4.35Å; A881-L886 WeakPolarHBondContact O-CB 3.21Å; A881-L886 PolarHBondContact O-N 3.17Å; Q882-L886 WeakPolarHBondContact CA-O 3.29Å | ||
| 887 | P | 95.4 | Very high | 97.1 | Very high | 74 Ų | 74 | 44.7 Ų | 44.7 | 48% | 0.481 | 26% | 0.264 | S | S | . | . | trans | -60.9 | 143.1 | 168.5 | -20.7 | 30.1 | 0 | 0 | 0 | 112 | S889 R890 | P887-S889 PolarHBondContact O-N 2.99Å; P887-S889 VanDerWaalsContact O-N 3.14Å; P887-R890 HydrophobicContact CB-CG 4.13Å; P887-R890 HydrophobicContact CG-CG 4.17Å; P887-R890 VanDerWaalsContact O-CB 3.29Å; P887-R890 WeakPolarHBondContact O-CB 3.4Å; P887-R890 WeakPolarHBondContact O-CG 3.49Å; P887-R890 PolarHBondContact O-N 3.46Å | ||
| 888 | A | 93.1 | Very high | 97.1 | Very high | 45 Ų | 45 | 46.6 Ų | 46.6 | 37% | 0.372 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -56.9 | -31.6 | 180 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q878 R890 I891 | Q878-A888 PolarHBondContact OE1-O 3.39Å; A888-R890 PolarHBondContact O-N 3.03Å; A888-R890 VanDerWaalsContact O-N 3.16Å; A888-I891 PolarHBondContact O-N 3.02Å |
| 889 | S | 95.6 | Very high | 97 | Very high | 91 Ų | 91 | 46.7 Ų | 46.7 | 64% | 0.636 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -65.7 | -12.8 | 176.7 | 56.5 | 0 | 0 | 0 | 0 | 114.4 | P887 I891 | P887-S889 PolarHBondContact O-N 2.99Å; P887-S889 VanDerWaalsContact O-N 3.14Å; S889-I891 VanDerWaalsContact C-N 3.33Å |
| 890 | R | 97.8 | Very high | 97.1 | Very high | 33 Ų | 33 | 42.2 Ų | 42.2 | 13% | 0.125 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -80.5 | -13.5 | 177.4 | -59.5 | -63.2 | -58.1 | -76.4 | -0.6 | 113.1 | L856 V859 P860 S862 V863 L864 P887 A888 | L856-R890 HydrophobicContact CD1-CB 4.46Å; L856-R890 PolarHBondContact O-NH1 3.49Å; L856-R890 PolarHBondContact O-NH2 2.95Å; V859-R890 PolarHBondContact O-NH2 3.36Å; V859-R890 VanDerWaalsContact O-NH2 3.12Å; P860-R890 PolarHBondContact O-NH2 3.04Å; S862-R890 PolarHBondContact O-NE 3.42Å; S862-R890 PolarHBondContact O-NH2 2.94Å; S862-R890 PolarHBondContact OG-NH2 3.46Å; V863-R890 CarbonylContact C-O 3.44Å; V863-R890 WeakPolarHBondContact CA-O 3.16Å; L864-R890 PolarHBondContact N-O 2.92Å; P887-R890 HydrophobicContact CB-CG 4.13Å; P887-R890 HydrophobicContact CG-CG 4.17Å; P887-R890 VanDerWaalsContact O-CB 3.29Å; P887-R890 WeakPolarHBondContact O-CB 3.4Å; P887-R890 WeakPolarHBondContact O-CG 3.49Å; P887-R890 PolarHBondContact O-N 3.46Å; A888-R890 PolarHBondContact O-N 3.03Å; A888-R890 VanDerWaalsContact O-N 3.16Å |
| 891 | I | 98.4 | Very high | 97.1 | Very high | 6 Ų | 6 | 41 Ų | 41 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 117.9 | 176.5 | -54.4 | -177.5 | 0 | 0 | 0 | 108.8 | L864 L866 I877 Q878 A881 A888 S889 F893 | L864-I891 HydrophobicContact CB-CG1 4.46Å; L864-I891 CarbonylContact O-C 3.5Å; L864-I891 VanDerWaalsContact O-CA 3.32Å; L864-I891 WeakPolarHBondContact O-CA 3.49Å; L866-I891 HydrophobicContact CD1-CG2 3.79Å; L866-I891 HydrophobicContact CG-CG2 4.15Å; I877-I891 HydrophobicContact CG2-CD1 4.26Å; Q878-I891 PolarHBondContact NE2-O 3.03Å; Q878-I891 VanDerWaalsContact NE2-O 3.12Å; A881-I891 HydrophobicContact CB-CD1 3.41Å; A881-I891 VanDerWaalsContact CB-CD1 3.41Å; A888-I891 PolarHBondContact O-N 3.02Å; S889-I891 VanDerWaalsContact C-N 3.33Å; I891-F893 HydrophobicContact CG2-CD2 4.08Å; I891-F893 HydrophobicContact CG2-CE2 3.48Å; I891-F893 VanDerWaalsContact CG2-CE2 3.48Å; I891-F893 HydrophobicContact CG2-CZ 4.05Å |
| 892 | I | 98.6 | Very high | 97.1 | Very high | 31 Ų | 31 | 42 Ų | 42 | 16% | 0.159 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 134.5 | -179.2 | -60.8 | 172.5 | 0 | 0 | 0 | 108 | L828 V863 L864 W865 L866 | L828-I892 HydrophobicContact CD2-CB 4.42Å; L828-I892 HydrophobicContact CD2-CD1 3.92Å; L828-I892 HydrophobicContact CD2-CG2 4.18Å; V863-I892 HydrophobicContact CB-CD1 4.15Å; V863-I892 HydrophobicContact CG1-CD1 4.2Å; V863-I892 HydrophobicContact CG2-CD1 4.03Å; L864-I892 PolarHBondContact O-N 2.99Å; W865-I892 CarbonylContact C-O 3.3Å; W865-I892 WeakPolarHBondContact CA-O 3.49Å; L866-I892 PolarHBondContact N-O 3.06Å |
| 893 | F | 98.5 | Very high | 97.1 | Very high | 25 Ų | 25 | 37.7 Ų | 37.7 | 11% | 0.11 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 140.4 | 176.7 | -78.1 | -90.6 | 0 | 0 | 0 | 110.7 | L841 L866 R868 E874 I877 Q878 I891 | L841-F893 HydrophobicContact CD1-CE1 4.43Å; L841-F893 HydrophobicContact CD2-CE1 4.21Å; L866-F893 HydrophobicContact CB-CD1 3.85Å; L866-F893 HydrophobicContact CB-CE1 3.63Å; L866-F893 HydrophobicContact CB-CZ 4.14Å; L866-F893 HydrophobicContact CD1-CE1 4.02Å; L866-F893 HydrophobicContact CD1-CZ 3.79Å; L866-F893 HydrophobicContact CG-CE1 4.46Å; L866-F893 WeakPolarHBondContact O-CA 3.45Å; R868-F893 HydrophobicContact CB-CB 4.15Å; R868-F893 HydrophobicContact CB-CD1 4.12Å; R868-F893 HydrophobicContact CG-CB 4.49Å; R868-F893 HydrophobicContact CG-CD1 4.46Å; E874-F893 HydrophobicContact CB-CD1 4.21Å; E874-F893 HydrophobicContact CB-CD2 4.39Å; E874-F893 HydrophobicContact CB-CE1 4.09Å; E874-F893 HydrophobicContact CB-CE2 4.29Å; E874-F893 HydrophobicContact CB-CG 4.34Å; E874-F893 HydrophobicContact CB-CZ 4.13Å; E874-F893 HydrophobicContact CG-CD1 4.28Å; E874-F893 HydrophobicContact CG-CD2 3.63Å; E874-F893 HydrophobicContact CG-CE1 4.35Å; E874-F893 HydrophobicContact CG-CE2 3.73Å; E874-F893 HydrophobicContact CG-CG 3.91Å; E874-F893 HydrophobicContact CG-CZ 4.08Å; I877-F893 HydrophobicContact CB-CZ 4.1Å; I877-F893 HydrophobicContact CG2-CZ 3.92Å; Q878-F893 HydrophobicContact CG-CE2 4.16Å; I891-F893 HydrophobicContact CG2-CD2 4.08Å; I891-F893 HydrophobicContact CG2-CE2 3.48Å; I891-F893 VanDerWaalsContact CG2-CE2 3.48Å; I891-F893 HydrophobicContact CG2-CZ 4.05Å |
| 894 | S | 97.1 | Very high | 97.2 | Very high | 5 Ų | 5 | 32.3 Ų | 32.3 | 4% | 0.035 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 148 | 169.5 | -72 | 0 | 0 | 0 | 0 | 111.5 | W865 L866 R868 | W865-S894 VanDerWaalsContact NE1-CB 3.33Å; W865-S894 PolarHBondContact NE1-OG 3.23Å; L866-S894 PolarHBondContact O-N 3.28Å; L866-S894 VanDerWaalsContact O-N 3.07Å; R868-S894 VanDerWaalsContact CB-O 3.3Å; R868-S894 WeakPolarHBondContact CB-O 3.41Å; R868-S894 PolarHBondContact N-O 3.41Å |
| 895 | P | 95.9 | Very high | 97.2 | Very high | 68 Ų | 68 | 30.9 Ų | 30.9 | 44% | 0.442 | 20% | 0.2 | S | C | . | . | trans | -61.5 | 163 | 179.4 | 27.4 | -35 | 0 | 0 | 0 | 111.9 | A897 R905 | P895-A897 PolarHBondContact O-N 3.03Å; P895-R905 PolarHBondContact O-NH1 3.31Å; P895-R905 PolarHBondContact O-NH2 3.01Å | ||
| 896 | V | 95.1 | Very high | 97.3 | Very high | 85 Ų | 85 | 28.3 Ų | 28.3 | 52% | 0.515 | 17% | 0.173 | S | C | . | . | trans | -56.9 | 131.2 | 163.4 | -175.1 | 0 | 0 | 0 | 0 | 108.1 | L867 F869 | L867-V896 HydrophobicContact CD1-CB 4.45Å; L867-V896 HydrophobicContact CD1-CG2 4.06Å; L867-V896 HydrophobicContact CG-CG2 4.47Å; F869-V896 HydrophobicContact CB-CG2 3.67Å; F869-V896 HydrophobicContact CD2-CG2 3.55Å; F869-V896 HydrophobicContact CE2-CG2 4.39Å; F869-V896 HydrophobicContact CG-CG2 3.72Å | ||
| 897 | A | 95.7 | Very high | 97.3 | Very high | 14 Ų | 14 | 28 Ų | 28 | 12% | 0.116 | 17% | 0.172 | C | C | . | . | trans | -110.4 | 156.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | P895 E901 H902 | P895-A897 PolarHBondContact O-N 3.03Å; A897-E901 HydrophobicContact CB-CB 4.04Å; A897-E901 HydrophobicContact CB-CG 3.94Å; A897-E901 VanDerWaalsContact CB-OE1 3.29Å; A897-E901 WeakPolarHBondContact CB-OE1 3.42Å; A897-H902 HydrophobicContact CB-CB 4.35Å | ||
| 898 | P | 96.6 | Very high | 97.5 | Very high | 39 Ų | 39 | 24.5 Ų | 24.5 | 25% | 0.253 | 15% | 0.149 | S | C | . | . | trans | -50.5 | 152.2 | 165.1 | -22 | 31.7 | 0 | 0 | 0 | 111.2 | T802 A809 E900 E901 H902 | T802-P898 HydrophobicContact CG2-CB 4.28Å; T802-P898 HydrophobicContact CG2-CG 3.46Å; T802-P898 VanDerWaalsContact CG2-CG 3.46Å; A809-P898 HydrophobicContact CB-CB 3.9Å; A809-P898 HydrophobicContact CB-CG 4.37Å; A809-P898 CarbonylContact O-C 3.43Å; A809-P898 WeakPolarHBondContact O-CB 3.49Å; P898-E900 VanDerWaalsContact C-N 3.32Å; P898-E900 PolarHBondContact O-N 3.26Å; P898-E901 PolarHBondContact O-N 3.37Å; P898-E901 VanDerWaalsContact O-N 3.09Å; P898-H902 WeakPolarHBondContact O-CB 3.47Å; P898-H902 PolarHBondContact O-N 3.27Å | ||
| 899 | K | 97.9 | Very high | 97.8 | Very high | 30 Ų | 30 | 22.4 Ų | 22.4 | 13% | 0.13 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -56.6 | -42.6 | -169.3 | -176.1 | 66.1 | -176.1 | 175.9 | 0 | 112.9 | H562 F702 A809 H902 V903 D926 | H562-K899 WeakPolarHBondContact ND1-CE 3.48Å; F702-K899 HydrophobicContact CZ-CG 3.92Å; A809-K899 PolarHBondContact O-N 3.02Å; K899-H902 PolarHBondContact O-N 3.5Å; K899-V903 WeakPolarHBondContact O-CG2 3.49Å; K899-V903 PolarHBondContact O-N 2.69Å; K899-D926 IonicContact NZ-OD1 3.7Å; K899-D926 PolarHBondContact NZ-OD1 2.99Å; K899-D926 IonicContact NZ-OD2 3.1Å; K899-D926 PolarHBondContact NZ-OD2 3.38Å |
| 900 | E | 98.4 | Very high | 97.9 | Very high | 2 Ų | 2 | 18.3 Ų | 18.3 | 1% | 0.009 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.8 | -46.1 | 177.8 | -173.8 | -78.7 | 159.7 | 0 | 0 | 112 | F702 H704 A808 A809 P898 H902 V903 R904 | F702-E900 HydrophobicContact CD1-CB 4.4Å; F702-E900 HydrophobicContact CD1-CG 4.15Å; F702-E900 HydrophobicContact CE1-CB 3.99Å; F702-E900 HydrophobicContact CE1-CG 4.25Å; H704-E900 IonicContact CD2-OE1 2.88Å; H704-E900 IonicContact CE1-OE1 3.38Å; H704-E900 IonicContact NE2-OE1 2.8Å; H704-E900 PolarHBondContact NE2-OE1 3.26Å; A808-E900 VanDerWaalsContact O-CB 3.3Å; A808-E900 WeakPolarHBondContact O-CB 3.4Å; A809-E900 WeakPolarHBondContact O-CB 3.49Å; A809-E900 PolarHBondContact O-N 2.97Å; P898-E900 VanDerWaalsContact C-N 3.32Å; P898-E900 PolarHBondContact O-N 3.26Å; E900-H902 VanDerWaalsContact C-N 3.34Å; E900-H902 PolarHBondContact O-N 3.45Å; E900-V903 PolarHBondContact O-N 3.09Å; E900-R904 VanDerWaalsContact CD-NE 3.33Å; E900-R904 WeakPolarHBondContact O-CB 3.24Å; E900-R904 PolarHBondContact O-N 2.95Å; E900-R904 WeakPolarHBondContact OE1-CD 3.4Å; E900-R904 IonicContact OE1-CZ 2.75Å; E900-R904 IonicContact OE1-NE 3.25Å; E900-R904 PolarHBondContact OE1-NE 3.4Å; E900-R904 IonicContact OE2-CZ 3.2Å; E900-R904 IonicContact OE2-NE 2.81Å; E900-R904 PolarHBondContact OE2-NE 2.91Å; E900-R904 IonicContact OE2-NH2 2.84Å; E900-R904 PolarHBondContact OE2-NH2 2.98Å |
| 901 | E | 98.5 | Very high | 98 | Very high | 17 Ų | 17 | 16.8 Ų | 16.8 | 8% | 0.079 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.1 | -40.2 | 179.1 | -178.2 | -165.7 | 135 | 0 | 0 | 110.8 | Y826 A897 P898 V903 R904 R905 | Y826-E901 VanDerWaalsContact OH-CG 3.3Å; Y826-E901 WeakPolarHBondContact OH-CG 3.46Å; Y826-E901 PolarHBondContact OH-OE1 3.23Å; A897-E901 HydrophobicContact CB-CB 4.04Å; A897-E901 HydrophobicContact CB-CG 3.94Å; A897-E901 VanDerWaalsContact CB-OE1 3.29Å; A897-E901 WeakPolarHBondContact CB-OE1 3.42Å; P898-E901 PolarHBondContact O-N 3.37Å; P898-E901 VanDerWaalsContact O-N 3.09Å; E901-V903 PolarHBondContact O-N 3.18Å; E901-R904 PolarHBondContact O-N 3.27Å; E901-R905 VanDerWaalsContact O-CB 3.27Å; E901-R905 WeakPolarHBondContact O-CB 3.3Å; E901-R905 VanDerWaalsContact O-CG 3.27Å; E901-R905 WeakPolarHBondContact O-CG 3.33Å; E901-R905 PolarHBondContact O-N 3.06Å |
| 902 | H | 98.2 | Very high | 98 | Very high | 22 Ų | 22 | 16.6 Ų | 16.6 | 10% | 0.102 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -57 | -46.1 | 176.7 | 178 | 91.2 | 0 | 0 | 0 | 112.2 | F838 A897 P898 K899 E900 D926 | F838-H902 VanDerWaalsContact CB-CE1 3.44Å; F838-H902 WeakPolarHBondContact CB-CE1 3.45Å; A897-H902 HydrophobicContact CB-CB 4.35Å; P898-H902 WeakPolarHBondContact O-CB 3.47Å; P898-H902 PolarHBondContact O-N 3.27Å; K899-H902 PolarHBondContact O-N 3.5Å; E900-H902 VanDerWaalsContact C-N 3.34Å; E900-H902 PolarHBondContact O-N 3.45Å; H902-D926 IonicContact CD2-OD2 3.2Å; H902-D926 PolarHBondContact CD2-OD2 3.48Å; H902-D926 IonicContact NE2-OD2 3.44Å |
| 903 | V | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.006 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -70.2 | -49.4 | 176.8 | 178.1 | 0 | 0 | 0 | 0 | 110.1 | F702 L705 K899 E900 E901 R905 G906 D926 W929 A930 | F702-V903 HydrophobicContact CD2-CB 4.46Å; F702-V903 HydrophobicContact CD2-CG1 4.14Å; F702-V903 HydrophobicContact CD2-CG2 4.28Å; F702-V903 HydrophobicContact CE2-CB 4.37Å; F702-V903 HydrophobicContact CE2-CG1 4.45Å; F702-V903 HydrophobicContact CE2-CG2 3.77Å; F702-V903 HydrophobicContact CZ-CG2 4.15Å; L705-V903 HydrophobicContact CD1-CB 4.44Å; L705-V903 HydrophobicContact CD1-CG1 3.76Å; K899-V903 WeakPolarHBondContact O-CG2 3.49Å; K899-V903 PolarHBondContact O-N 2.69Å; E900-V903 PolarHBondContact O-N 3.09Å; E901-V903 PolarHBondContact O-N 3.18Å; V903-R905 PolarHBondContact O-N 3.45Å; V903-G906 PolarHBondContact O-N 3.04Å; V903-G906 VanDerWaalsContact O-N 3.13Å; V903-D926 HydrophobicContact CG2-CB 3.92Å; V903-W929 HydrophobicContact CG1-CB 4.4Å; V903-W929 HydrophobicContact CG1-CG 4.48Å; V903-A930 WeakPolarHBondContact O-CB 3.41Å |
| 904 | R | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.1 | -43.1 | -175.9 | 175.2 | 168.1 | 47.2 | 73.8 | 3.6 | 112.7 | L705 G798 V819 T821 E900 E901 G906 Q907 | L705-R904 HydrophobicContact CD1-CB 4.2Å; L705-R904 HydrophobicContact CD2-CB 4.1Å; L705-R904 HydrophobicContact CD2-CG 4Å; G798-R904 VanDerWaalsContact CA-NH1 3.33Å; G798-R904 PolarHBondContact O-NH2 3.42Å; V819-R904 VanDerWaalsContact CG1-CD 3.45Å; T821-R904 HydrophobicContact CG2-CG 4.43Å; T821-R904 VanDerWaalsContact OG1-CD 3.29Å; T821-R904 WeakPolarHBondContact OG1-CD 3.3Å; T821-R904 WeakPolarHBondContact OG1-CG 3.49Å; T821-R904 PolarHBondContact OG1-NH1 3.47Å; E900-R904 VanDerWaalsContact CD-NE 3.33Å; E900-R904 WeakPolarHBondContact O-CB 3.24Å; E900-R904 PolarHBondContact O-N 2.95Å; E900-R904 WeakPolarHBondContact OE1-CD 3.4Å; E900-R904 IonicContact OE1-CZ 2.75Å; E900-R904 IonicContact OE1-NE 3.25Å; E900-R904 PolarHBondContact OE1-NE 3.4Å; E900-R904 IonicContact OE2-CZ 3.2Å; E900-R904 IonicContact OE2-NE 2.81Å; E900-R904 PolarHBondContact OE2-NE 2.91Å; E900-R904 IonicContact OE2-NH2 2.84Å; E900-R904 PolarHBondContact OE2-NH2 2.98Å; E901-R904 PolarHBondContact O-N 3.27Å; R904-G906 PolarHBondContact O-N 3.45Å; R904-Q907 VanDerWaalsContact O-CB 3.31Å; R904-Q907 WeakPolarHBondContact O-CB 3.49Å; R904-Q907 WeakPolarHBondContact O-CG 3.46Å; R904-Q907 PolarHBondContact O-N 3.04Å; R904-Q907 VanDerWaalsContact O-N 3.12Å; R904-Q907 PolarHBondContact O-NE2 2.69Å; R904-Q907 VanDerWaalsContact O-NE2 3.07Å |
| 905 | R | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -67.5 | -18.9 | -179.1 | 80.5 | -174.1 | -176.2 | -180 | 2.9 | 113 | T821 Y826 W865 P895 E901 V903 Q907 L908 | T821-R905 HydrophobicContact CG2-CB 4.38Å; Y826-R905 HydrophobicContact CE1-CB 4.48Å; Y826-R905 HydrophobicContact CE2-CB 3.95Å; W865-R905 HydrophobicContact CH2-CB 4.01Å; W865-R905 HydrophobicContact CH2-CG 3.8Å; W865-R905 HydrophobicContact CZ3-CG 4.45Å; P895-R905 PolarHBondContact O-NH1 3.31Å; P895-R905 PolarHBondContact O-NH2 3.01Å; E901-R905 VanDerWaalsContact O-CB 3.27Å; E901-R905 WeakPolarHBondContact O-CB 3.3Å; E901-R905 VanDerWaalsContact O-CG 3.27Å; E901-R905 WeakPolarHBondContact O-CG 3.33Å; E901-R905 PolarHBondContact O-N 3.06Å; V903-R905 PolarHBondContact O-N 3.45Å; R905-Q907 PolarHBondContact O-N 2.91Å; R905-Q907 VanDerWaalsContact O-N 3.13Å; R905-L908 WeakPolarHBondContact O-CB 3.25Å; R905-L908 PolarHBondContact O-N 3.4Å |
| 906 | G | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.01 | 6% | 0.064 | C | C | . | . | G | 310 helix | trans | -56.1 | -25.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V903 R904 L908 A909 T932 | V903-G906 PolarHBondContact O-N 3.04Å; V903-G906 VanDerWaalsContact O-N 3.13Å; R904-G906 PolarHBondContact O-N 3.45Å; G906-L908 PolarHBondContact O-N 3.14Å; G906-A909 PolarHBondContact O-N 3.2Å; G906-T932 PolarHBondContact O-OG1 3.5Å |
| 907 | Q | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.047 | C | C | . | . | G | 310 helix | trans | -63.1 | -21.4 | 175.6 | -71.7 | 175.1 | 93.9 | 0 | 0 | 113.2 | N722 N727 R904 R905 A930 | N722-Q907 WeakPolarHBondContact CB-O 3.36Å; N727-Q907 PolarHBondContact ND2-OE1 3.23Å; N727-Q907 PolarHBondContact OD1-NE2 3.24Å; N727-Q907 PolarHBondContact OD1-OE1 3.22Å; R904-Q907 VanDerWaalsContact O-CB 3.31Å; R904-Q907 WeakPolarHBondContact O-CB 3.49Å; R904-Q907 WeakPolarHBondContact O-CG 3.46Å; R904-Q907 PolarHBondContact O-N 3.04Å; R904-Q907 VanDerWaalsContact O-N 3.12Å; R904-Q907 PolarHBondContact O-NE2 2.69Å; R904-Q907 VanDerWaalsContact O-NE2 3.07Å; R905-Q907 PolarHBondContact O-N 2.91Å; R905-Q907 VanDerWaalsContact O-N 3.13Å; Q907-A930 HydrophobicContact CG-CB 4Å; Q907-A930 WeakPolarHBondContact CG-O 3.47Å |
| 908 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.041 | C | C | . | . | G | 310 helix | trans | -81 | -19.4 | -178.6 | -57.6 | 178.5 | 0 | 0 | 0 | 113.5 | N722 V725 T821 T822 R823 Y826 L828 W865 R905 G906 | N722-L908 WeakPolarHBondContact O-CA 3.23Å; N722-L908 WeakPolarHBondContact O-CD2 3.43Å; V725-L908 HydrophobicContact CG2-CD2 4.12Å; T821-L908 HydrophobicContact CG2-CD1 3.68Å; T821-L908 HydrophobicContact CG2-CD2 4.11Å; T821-L908 HydrophobicContact CG2-CG 3.91Å; T822-L908 VanDerWaalsContact C-CD1 3.49Å; T822-L908 WeakPolarHBondContact O-CD1 3.39Å; R823-L908 HydrophobicContact CG-CB 4.24Å; R823-L908 HydrophobicContact CG-CD2 4.45Å; R823-L908 PolarHBondContact NE-O 3.35Å; R823-L908 VanDerWaalsContact NE-O 3.09Å; R823-L908 PolarHBondContact NH2-O 3.12Å; Y826-L908 HydrophobicContact CD2-CD1 3.52Å; Y826-L908 HydrophobicContact CE2-CD1 3.63Å; L828-L908 HydrophobicContact CD1-CB 4.41Å; W865-L908 HydrophobicContact CH2-CD1 4.46Å; W865-L908 HydrophobicContact CZ3-CB 4.3Å; R905-L908 WeakPolarHBondContact O-CB 3.25Å; R905-L908 PolarHBondContact O-N 3.4Å; G906-L908 PolarHBondContact O-N 3.14Å |
| 909 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.029 | C | C | . | . | trans | -77.5 | 153.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111 | N722 V834 C836 G906 T932 R985 | N722-A909 PolarHBondContact ND2-O 3.4Å; V834-A909 HydrophobicContact CG1-CB 4.36Å; C836-A909 HydrophobicContact CB-CB 3.85Å; C836-A909 WeakPolarHBondContact SG-CB 3.43Å; G906-A909 PolarHBondContact O-N 3.2Å; A909-T932 HydrophobicContact CB-CG2 4.05Å; A909-R985 PolarHBondContact O-NH1 3.47Å | ||
| 910 | D | 98.9 | Very high | 98.6 | Very high | 6 Ų | 6 | 4.4 Ų | 4.4 | 3% | 0.032 | 2% | 0.023 | C | C | . | . | S | Bend | trans | -87.6 | -46.5 | 172.9 | -65.8 | -65.7 | 0 | 0 | 0 | 110.3 | N722 R723 R823 I833 V834 P933 L981 R985 | N722-D910 PolarHBondContact ND2-OD1 3.09Å; R723-D910 IonicContact NH1-OD1 2.77Å; R723-D910 IonicContact NH1-OD2 3.99Å; R823-D910 IonicContact CZ-OD2 2.59Å; R823-D910 IonicContact NH2-OD1 3.14Å; R823-D910 IonicContact NH2-OD2 3.64Å; R823-D910 PolarHBondContact NH2-OD2 2.91Å; I833-D910 VanDerWaalsContact CA-OD2 3.32Å; I833-D910 WeakPolarHBondContact CA-OD2 3.5Å; I833-D910 HydrophobicContact CD1-CB 4.25Å; I833-D910 HydrophobicContact CG2-CB 4.07Å; V834-D910 PolarHBondContact N-OD2 3.03Å; V834-D910 PolarHBondContact O-N 2.57Å; D910-P933 WeakPolarHBondContact O-CD 3.2Å; D910-L981 HydrophobicContact CB-CD2 4.14Å; D910-R985 PolarHBondContact O-NH1 2.91Å |
| 911 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.028 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 138.8 | -176.2 | -178.7 | 0 | 0 | 0 | 0 | 109.9 | V834 Y835 C836 L913 P933 V935 L974 L981 | V834-V911 PolarHBondContact O-N 3.42Å; Y835-V911 CarbonylContact C-O 3.51Å; Y835-V911 WeakPolarHBondContact CA-O 3.38Å; Y835-V911 HydrophobicContact CD1-CB 3.74Å; Y835-V911 HydrophobicContact CD1-CG1 4.09Å; Y835-V911 HydrophobicContact CD1-CG2 4.49Å; Y835-V911 HydrophobicContact CE1-CB 3.9Å; Y835-V911 HydrophobicContact CE1-CG1 4.17Å; Y835-V911 HydrophobicContact CE1-CG2 4.21Å; C836-V911 PolarHBondContact N-O 3.25Å; V911-L913 HydrophobicContact CG1-CD2 4.3Å; V911-P933 CarbonylContact C-O 3.59Å; V911-V935 HydrophobicContact CG1-CG2 3.82Å; V911-L974 HydrophobicContact CG1-CD1 3.98Å; V911-L974 HydrophobicContact CG2-CB 3.67Å; V911-L974 HydrophobicContact CG2-CD1 4.11Å; V911-L974 HydrophobicContact CG2-CG 4.39Å; V911-L981 HydrophobicContact CG2-CD1 3.75Å |
| 912 | C | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 5.8 Ų | 5.8 | 1% | 0.014 | 3% | 0.031 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 130 | 167.3 | -176.7 | 0 | 0 | 0 | 0 | 110.1 | C836 V927 T932 P933 M934 V935 | C836-C912 CarbonylContact O-C 3.51Å; C836-C912 VanDerWaalsContact O-CA 3.26Å; C836-C912 WeakPolarHBondContact O-CA 3.39Å; C836-C912 PolarHBondContact O-SG 2.94Å; C836-C912 VanDerWaalsContact O-SG 3.32Å; C912-V927 HydrophobicContact CB-CB 4.3Å; C912-V927 HydrophobicContact CB-CG1 4.41Å; C912-V927 HydrophobicContact CB-CG2 4.05Å; C912-T932 HydrophobicContact CB-CG2 4.28Å; C912-P933 PolarHBondContact N-O 2.91Å; C912-M934 HydrophobicContact CB-CB 4.12Å; C912-M934 HydrophobicContact CB-CG 4.18Å; C912-M934 CarbonylContact O-C 3.3Å; C912-M934 WeakPolarHBondContact O-CA 3.5Å; C912-V935 PolarHBondContact O-N 3.49Å |
| 913 | L | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 5.8 Ų | 5.8 | 1% | 0.005 | 3% | 0.033 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 103.7 | 173 | -65.6 | -173.8 | 0 | 0 | 0 | 108 | Y835 C836 N837 W852 I855 L864 V911 V935 Y967 A971 | Y835-L913 HydrophobicContact CD1-CD1 3.83Å; Y835-L913 HydrophobicContact CD1-CD2 3.75Å; Y835-L913 HydrophobicContact CD1-CG 3.69Å; Y835-L913 HydrophobicContact CE1-CD2 4.16Å; Y835-L913 HydrophobicContact CG-CD1 3.87Å; Y835-L913 HydrophobicContact CG-CG 4.12Å; C836-L913 PolarHBondContact O-N 3.4Å; N837-L913 WeakPolarHBondContact CB-O 3.43Å; N837-L913 PolarHBondContact ND2-O 3.23Å; W852-L913 HydrophobicContact CG-CD1 4.08Å; W852-L913 HydrophobicContact CZ2-CB 4.39Å; W852-L913 WeakPolarHBondContact CZ2-O 3.4Å; I855-L913 HydrophobicContact CD1-CD1 4.03Å; I855-L913 HydrophobicContact CD1-CD2 4.26Å; L864-L913 HydrophobicContact CD1-CD1 4.33Å; V911-L913 HydrophobicContact CG1-CD2 4.3Å; L913-V935 HydrophobicContact CD2-CB 4.4Å; L913-Y967 WeakPolarHBondContact CA-OH 3.18Å; L913-Y967 VanDerWaalsContact CB-OH 3.23Å; L913-Y967 WeakPolarHBondContact CB-OH 3.44Å; L913-Y967 HydrophobicContact CD2-CE1 4.35Å; L913-A971 HydrophobicContact CD2-CB 3.7Å |
| 914 | D | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.033 | C | C | . | . | trans | -68.9 | 162.2 | 180 | -173.7 | 37.7 | 0 | 0 | 0 | 112.4 | P916 N919 G920 M934 V935 T936 A947 Y967 | D914-P916 WeakPolarHBondContact O-CD 3.27Å; D914-N919 WeakPolarHBondContact OD1-CA 3.36Å; D914-N919 VanDerWaalsContact OD2-CB 3.28Å; D914-N919 WeakPolarHBondContact OD2-CB 3.43Å; D914-N919 PolarHBondContact OD2-ND2 3.36Å; D914-G920 PolarHBondContact OD1-N 3.32Å; D914-M934 HydrophobicContact CB-CG 3.95Å; D914-M934 HydrophobicContact CB-SD 4.1Å; D914-V935 WeakPolarHBondContact CB-O 3.31Å; D914-V935 PolarHBondContact N-O 3.38Å; D914-T936 WeakPolarHBondContact OD2-CB 3.44Å; D914-T936 PolarHBondContact OD2-OG1 3.47Å; D914-A947 VanDerWaalsContact OD2-CB 3.25Å; D914-A947 WeakPolarHBondContact OD2-CB 3.48Å; D914-Y967 PolarHBondContact N-OH 3.01Å; D914-Y967 PolarHBondContact O-OH 2.99Å | ||
| 915 | T | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.033 | C | C | . | . | trans | -95.6 | 111.8 | 176.4 | 34.9 | 0 | 0 | 0 | 0 | 110.3 | K843 I844 T848 W852 L917 C918 N919 | K843-T915 HydrophobicContact CB-CG2 4.07Å; K843-T915 WeakPolarHBondContact O-CB 3.47Å; K843-T915 WeakPolarHBondContact O-CG2 3.38Å; I844-T915 HydrophobicContact CG1-CG2 3.93Å; T848-T915 HydrophobicContact CG2-CG2 4.2Å; W852-T915 HydrophobicContact CH2-CG2 3.85Å; W852-T915 HydrophobicContact CZ2-CG2 3.91Å; T915-L917 VanDerWaalsContact C-N 3.31Å; T915-L917 PolarHBondContact O-N 3.47Å; T915-C918 WeakPolarHBondContact CB-O 3.43Å; T915-C918 CarbonylContact O-C 3.54Å; T915-C918 PolarHBondContact O-N 2.86Å; T915-C918 PolarHBondContact OG1-O 3.46Å; T915-N919 WeakPolarHBondContact O-CA 3.5Å; T915-N919 PolarHBondContact O-N 3.49Å; T915-N919 PolarHBondContact O-ND2 3.11Å | ||
| 916 | P | 98.5 | Very high | 98.6 | Very high | 10 Ų | 10 | 6 Ų | 6 | 7% | 0.065 | 3% | 0.034 | C | C | . | . | S | Bend | trans | -67.8 | -25.8 | -178.4 | -24.9 | 36.6 | 0 | 0 | 0 | 114.8 | M851 D914 C918 M937 S944 | M851-P916 HydrophobicContact CE-CG 3.73Å; D914-P916 WeakPolarHBondContact O-CD 3.27Å; P916-C918 VanDerWaalsContact C-N 3.33Å; P916-C918 PolarHBondContact O-N 3.3Å; P916-M937 HydrophobicContact CB-CB 4.25Å; P916-M937 HydrophobicContact CB-CE 3.64Å; P916-M937 HydrophobicContact CG-CB 4.05Å; P916-M937 HydrophobicContact CG-CE 3.92Å; P916-S944 WeakPolarHBondContact O-CB 3.31Å |
| 917 | L | 97.9 | Very high | 98.7 | Very high | 30 Ų | 30 | 6.1 Ų | 6.1 | 16% | 0.157 | 3% | 0.034 | C | C | . | . | S | Bend | trans | -60.3 | -45.3 | 176.9 | 176.7 | 63.6 | 0 | 0 | 0 | 111.4 | L502 D845 T915 | L502-L917 HydrophobicContact CD2-CD2 4.18Å; L502-L917 HydrophobicContact CD2-CG 4.33Å; D845-L917 HydrophobicContact CB-CD2 4.01Å; T915-L917 VanDerWaalsContact C-N 3.31Å; T915-L917 PolarHBondContact O-N 3.47Å |
| 918 | C | 98.6 | Very high | 98.7 | Very high | 1 Ų | 1 | 6.1 Ų | 6.1 | 1% | 0.007 | 3% | 0.034 | C | C | . | . | S | Bend | trans | -154.9 | 120 | 177.2 | 174.9 | 0 | 0 | 0 | 0 | 106.3 | L502 K843 T915 P916 | L502-C918 HydrophobicContact CD2-CB 3.98Å; K843-C918 HydrophobicContact CB-CB 4.47Å; K843-C918 HydrophobicContact CD-CB 4.09Å; K843-C918 WeakPolarHBondContact CD-O 3.45Å; K843-C918 HydrophobicContact CG-CB 4.14Å; T915-C918 WeakPolarHBondContact CB-O 3.43Å; T915-C918 CarbonylContact O-C 3.54Å; T915-C918 PolarHBondContact O-N 2.86Å; T915-C918 PolarHBondContact OG1-O 3.46Å; P916-C918 VanDerWaalsContact C-N 3.33Å; P916-C918 PolarHBondContact O-N 3.3Å |
| 919 | N | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 3% | 0.034 | C | C | . | . | trans | -72 | 165.9 | -170.8 | -55.1 | 146.9 | 0 | 0 | 0 | 112.6 | K843 D914 T915 H921 A943 S944 R945 V946 A947 | K843-N919 PolarHBondContact NZ-O 2.99Å; D914-N919 WeakPolarHBondContact OD1-CA 3.36Å; D914-N919 VanDerWaalsContact OD2-CB 3.28Å; D914-N919 WeakPolarHBondContact OD2-CB 3.43Å; D914-N919 PolarHBondContact OD2-ND2 3.36Å; T915-N919 WeakPolarHBondContact O-CA 3.5Å; T915-N919 PolarHBondContact O-N 3.49Å; T915-N919 PolarHBondContact O-ND2 3.11Å; N919-H921 PolarHBondContact O-CD2 3.44Å; N919-H921 VanDerWaalsContact O-CD2 3.26Å; N919-H921 PolarHBondContact O-N 3Å; N919-H921 VanDerWaalsContact O-N 3.17Å; N919-A943 PolarHBondContact N-O 3.01Å; N919-A943 PolarHBondContact OD1-O 2.95Å; N919-S944 VanDerWaalsContact CG-C 3.49Å; N919-S944 PolarHBondContact ND2-O 2.94Å; N919-S944 PolarHBondContact OD1-O 3.31Å; N919-R945 WeakPolarHBondContact OD1-CA 3.42Å; N919-R945 PolarHBondContact OD1-N 2.87Å; N919-V946 PolarHBondContact OD1-N 3.43Å; N919-A947 HydrophobicContact CB-CB 3.7Å; N919-A947 PolarHBondContact OD1-N 3.22Å | ||
| 920 | G | 97.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 3% | 0.034 | C | C | . | . | trans | -63.2 | 104.7 | 155.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | N839 D914 G924 | N839-G920 VanDerWaalsContact OD1-CA 3.24Å; N839-G920 WeakPolarHBondContact OD1-CA 3.23Å; D914-G920 PolarHBondContact OD1-N 3.32Å; G920-G924 WeakPolarHBondContact O-CA 3.47Å; G920-G924 PolarHBondContact O-N 3.06Å | ||
| 921 | H | 98.5 | Very high | 98.6 | Very high | 26 Ų | 26 | 6 Ų | 6 | 12% | 0.12 | 3% | 0.034 | C | C | . | . | S | Bend | trans | -80.5 | -88.4 | 174.7 | -58.4 | 166 | 0 | 0 | 0 | 109.1 | F694 N919 T923 G924 M925 A943 V946 Q950 | F694-H921 VanDerWaalsContact CE1-C 3.46Å; F694-H921 HydrophobicContact CE1-CB 4.36Å; F694-H921 WeakPolarHBondContact CE1-O 3.32Å; F694-H921 HydrophobicContact CE2-CB 3.88Å; F694-H921 HydrophobicContact CZ-CB 3.54Å; N919-H921 PolarHBondContact O-CD2 3.44Å; N919-H921 VanDerWaalsContact O-CD2 3.26Å; N919-H921 PolarHBondContact O-N 3Å; N919-H921 VanDerWaalsContact O-N 3.17Å; H921-T923 VanDerWaalsContact C-N 3.25Å; H921-T923 PolarHBondContact O-N 2.72Å; H921-G924 PolarHBondContact O-N 2.75Å; H921-M925 PolarHBondContact O-N 3.43Å; H921-A943 PolarHBondContact NE2-O 3.04Å; H921-V946 HydrophobicContact CB-CG1 4.47Å; H921-Q950 PolarHBondContact O-NE2 2.94Å |
| 922 | T | 98.5 | Very high | 98.6 | Very high | 22 Ų | 22 | 6 Ų | 6 | 14% | 0.135 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -55.9 | -41.6 | 169.5 | -52.4 | 0 | 0 | 0 | 0 | 111.7 | P559 L563 G924 M925 D926 | P559-T922 HydrophobicContact CB-CG2 4.35Å; L563-T922 HydrophobicContact CD2-CG2 4.06Å; T922-G924 VanDerWaalsContact C-N 3.26Å; T922-G924 PolarHBondContact O-N 3.26Å; T922-M925 WeakPolarHBondContact O-CB 3.33Å; T922-M925 PolarHBondContact O-N 2.69Å; T922-M925 VanDerWaalsContact O-N 3.12Å; T922-D926 PolarHBondContact O-N 3.04Å |
| 923 | T | 98.5 | Very high | 98.6 | Very high | 22 Ų | 22 | 5.9 Ų | 5.9 | 14% | 0.135 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -61.1 | -34 | 177.1 | -52 | 0 | 0 | 0 | 0 | 112.4 | F838 H921 D926 V927 | F838-T923 HydrophobicContact CB-CG2 3.97Å; H921-T923 VanDerWaalsContact C-N 3.25Å; H921-T923 PolarHBondContact O-N 2.72Å; T923-D926 WeakPolarHBondContact O-CB 3.25Å; T923-D926 PolarHBondContact O-N 3.31Å; T923-V927 WeakPolarHBondContact O-CG2 3.38Å; T923-V927 PolarHBondContact O-N 3.41Å |
| 924 | G | 98.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 5.9 Ų | 5.9 | 1% | 0.01 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -62.6 | -46.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | G920 H921 T922 D926 V927 L928 | G920-G924 WeakPolarHBondContact O-CA 3.47Å; G920-G924 PolarHBondContact O-N 3.06Å; H921-G924 PolarHBondContact O-N 2.75Å; T922-G924 VanDerWaalsContact C-N 3.26Å; T922-G924 PolarHBondContact O-N 3.26Å; G924-D926 VanDerWaalsContact C-N 3.32Å; G924-D926 PolarHBondContact O-N 2.93Å; G924-V927 VanDerWaalsContact O-CG2 3.25Å; G924-V927 WeakPolarHBondContact O-CG2 2.99Å; G924-V927 PolarHBondContact O-N 3.47Å; G924-L928 WeakPolarHBondContact O-CB 3.14Å; G924-L928 WeakPolarHBondContact O-CG 3.41Å; G924-L928 PolarHBondContact O-N 2.97Å |
| 925 | M | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -61.5 | -40.2 | 174.1 | -58.2 | -60.3 | -76.4 | 0 | 0 | 112.2 | L563 F694 H698 H921 T922 W929 Q950 L997 F998 | L563-M925 HydrophobicContact CD2-CG 4.43Å; F694-M925 HydrophobicContact CD1-CG 3.5Å; F694-M925 HydrophobicContact CD1-SD 3.88Å; F694-M925 HydrophobicContact CE1-CG 3.59Å; H698-M925 VanDerWaalsContact CE1-CB 3.43Å; H698-M925 WeakPolarHBondContact CE1-CB 3.39Å; H921-M925 PolarHBondContact O-N 3.43Å; T922-M925 WeakPolarHBondContact O-CB 3.33Å; T922-M925 PolarHBondContact O-N 2.69Å; T922-M925 VanDerWaalsContact O-N 3.12Å; M925-W929 WeakPolarHBondContact O-CB 3.41Å; M925-W929 PolarHBondContact O-N 3.13Å; M925-Q950 HydrophobicContact SD-CG 3.94Å; M925-L997 HydrophobicContact CE-CD1 3.73Å; M925-L997 HydrophobicContact CE-CD2 4.39Å; M925-L997 HydrophobicContact CE-CG 3.69Å; M925-L997 WeakPolarHBondContact CE-O 3.46Å; M925-L997 HydrophobicContact SD-CD1 3.75Å; M925-L997 HydrophobicContact SD-CD2 4.24Å; M925-L997 HydrophobicContact SD-CG 4.02Å; M925-F998 HydrophobicContact CB-CE1 4.05Å; M925-F998 HydrophobicContact CB-CZ 4.34Å; M925-F998 HydrophobicContact CE-CD1 3.71Å; M925-F998 HydrophobicContact CE-CE1 3.41Å; M925-F998 VanDerWaalsContact CE-CE1 3.41Å; M925-F998 HydrophobicContact CE-CE2 4.41Å; M925-F998 HydrophobicContact CE-CG 4.35Å; M925-F998 HydrophobicContact CE-CZ 3.79Å; M925-F998 WeakPolarHBondContact O-CZ 3.33Å; M925-F998 HydrophobicContact SD-CE1 4.37Å; M925-F998 HydrophobicContact SD-CZ 4.33Å |
| 926 | D | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 5.9 Ų | 5.9 | 2% | 0.021 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -60.3 | -47.8 | 178.7 | -64.7 | -20.9 | 0 | 0 | 0 | 111.7 | H698 K899 H902 V903 T922 T923 G924 A930 | H698-D926 IonicContact CD2-OD1 2.8Å; H698-D926 IonicContact CE1-OD1 2.67Å; H698-D926 IonicContact NE2-OD1 3.9Å; H698-D926 PolarHBondContact NE2-OD1 3.23Å; K899-D926 IonicContact NZ-OD1 3.7Å; K899-D926 PolarHBondContact NZ-OD1 2.99Å; K899-D926 IonicContact NZ-OD2 3.1Å; K899-D926 PolarHBondContact NZ-OD2 3.38Å; H902-D926 IonicContact CD2-OD2 3.2Å; H902-D926 PolarHBondContact CD2-OD2 3.48Å; H902-D926 IonicContact NE2-OD2 3.44Å; V903-D926 HydrophobicContact CG2-CB 3.92Å; T922-D926 PolarHBondContact O-N 3.04Å; T923-D926 WeakPolarHBondContact O-CB 3.25Å; T923-D926 PolarHBondContact O-N 3.31Å; G924-D926 VanDerWaalsContact C-N 3.32Å; G924-D926 PolarHBondContact O-N 2.93Å; D926-A930 PolarHBondContact O-N 3.22Å |
| 927 | V | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 6.5 Ų | 6.5 | 2% | 0.018 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -72.6 | -36.8 | -179.4 | -61.1 | 0 | 0 | 0 | 0 | 112.7 | F838 C912 T923 G924 W929 A930 G931 T932 M934 | F838-V927 HydrophobicContact CD2-CG1 4.12Å; C912-V927 HydrophobicContact CB-CB 4.3Å; C912-V927 HydrophobicContact CB-CG1 4.41Å; C912-V927 HydrophobicContact CB-CG2 4.05Å; T923-V927 WeakPolarHBondContact O-CG2 3.38Å; T923-V927 PolarHBondContact O-N 3.41Å; G924-V927 VanDerWaalsContact O-CG2 3.25Å; G924-V927 WeakPolarHBondContact O-CG2 2.99Å; G924-V927 PolarHBondContact O-N 3.47Å; V927-W929 VanDerWaalsContact C-N 3.34Å; V927-A930 WeakPolarHBondContact O-CB 3.41Å; V927-A930 PolarHBondContact O-N 3.37Å; V927-G931 PolarHBondContact O-N 3.04Å; V927-T932 PolarHBondContact O-N 3.49Å; V927-T932 VanDerWaalsContact O-N 3.09Å; V927-M934 HydrophobicContact CG2-CB 4.35Å; V927-M934 HydrophobicContact CG2-SD 4.1Å |
| 928 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -68 | -35.6 | 176.4 | -67.8 | 176.9 | 0 | 0 | 0 | 111.3 | G924 A930 G931 M934 Q950 L951 L954 V988 L997 F998 | G924-L928 WeakPolarHBondContact O-CB 3.14Å; G924-L928 WeakPolarHBondContact O-CG 3.41Å; G924-L928 PolarHBondContact O-N 2.97Å; L928-A930 VanDerWaalsContact C-N 3.3Å; L928-A930 PolarHBondContact O-N 3.01Å; L928-G931 PolarHBondContact O-N 3.26Å; L928-M934 HydrophobicContact CD1-CE 4.22Å; L928-M934 HydrophobicContact CD2-CB 4.18Å; L928-Q950 HydrophobicContact CD1-CB 4.14Å; L928-L951 HydrophobicContact CD2-CD2 4.06Å; L928-L954 HydrophobicContact CD1-CD2 4.29Å; L928-L954 HydrophobicContact CD2-CD2 3.79Å; L928-L954 HydrophobicContact CG-CD2 4.48Å; L928-V988 HydrophobicContact CD2-CG1 4.23Å; L928-L997 HydrophobicContact CD1-CD2 3.84Å; L928-F998 HydrophobicContact CB-CE2 4.3Å; L928-F998 HydrophobicContact CB-CZ 4.14Å |
| 929 | W | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 7.5 Ų | 7.5 | 0% | 0.004 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -64.5 | -35.4 | 174.1 | -172.1 | -110.4 | 0 | 0 | 0 | 112.5 | H698 A699 F702 K706 V903 M925 V927 G931 R992 I993 F998 | H698-W929 HydrophobicContact CB-CB 4.03Å; H698-W929 HydrophobicContact CB-CD2 3.46Å; H698-W929 VanDerWaalsContact CB-CD2 3.46Å; H698-W929 HydrophobicContact CB-CE3 3.91Å; H698-W929 HydrophobicContact CB-CG 3.49Å; H698-W929 VanDerWaalsContact CB-CG 3.49Å; H698-W929 WeakPolarHBondContact O-CZ2 3.49Å; A699-W929 VanDerWaalsContact CA-CH2 3.43Å; A699-W929 HydrophobicContact CB-CH2 3.68Å; A699-W929 HydrophobicContact CB-CZ2 4.35Å; A699-W929 HydrophobicContact CB-CZ3 4.16Å; F702-W929 PolarHBondContact O-NE1 3.14Å; K706-W929 HydrophobicContact CG-CH2 4.06Å; K706-W929 HydrophobicContact CG-CZ2 3.85Å; V903-W929 HydrophobicContact CG1-CB 4.4Å; V903-W929 HydrophobicContact CG1-CG 4.48Å; M925-W929 WeakPolarHBondContact O-CB 3.41Å; M925-W929 PolarHBondContact O-N 3.13Å; V927-W929 VanDerWaalsContact C-N 3.34Å; W929-G931 PolarHBondContact O-N 2.68Å; W929-R992 HydrophobicContact CE3-CG 4.5Å; W929-R992 WeakPolarHBondContact O-CD 3.42Å; W929-R992 PolarHBondContact O-NH1 3.11Å; W929-R992 VanDerWaalsContact O-NH1 3.07Å; W929-I993 HydrophobicContact CH2-CD1 3.74Å; W929-I993 HydrophobicContact CZ3-CD1 3.94Å; W929-F998 HydrophobicContact CB-CE1 4.04Å; W929-F998 HydrophobicContact CB-CZ 3.95Å; W929-F998 HydrophobicContact CE3-CB 4.21Å; W929-F998 AromaticContact CE3-CD1 3.74Å; W929-F998 HydrophobicContact CE3-CD1 3.74Å; W929-F998 AromaticContact CE3-CD2 3.82Å; W929-F998 HydrophobicContact CE3-CD2 3.82Å; W929-F998 AromaticContact CE3-CE1 3.96Å; W929-F998 HydrophobicContact CE3-CE1 3.96Å; W929-F998 HydrophobicContact CE3-CE2 4.04Å; W929-F998 AromaticContact CE3-CG 3.66Å; W929-F998 HydrophobicContact CE3-CG 3.66Å; W929-F998 HydrophobicContact CE3-CZ 4.11Å; W929-F998 HydrophobicContact CZ3-CB 3.88Å; W929-F998 HydrophobicContact CZ3-CD1 4.25Å; W929-F998 HydrophobicContact CZ3-CD2 4.13Å; W929-F998 AromaticContact CZ3-CG 3.84Å; W929-F998 HydrophobicContact CZ3-CG 3.84Å |
| 930 | A | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -9.6 | 173 | 0 | 0 | 0 | 0 | 0 | 113.4 | V903 Q907 D926 V927 L928 | V903-A930 WeakPolarHBondContact O-CB 3.41Å; Q907-A930 HydrophobicContact CG-CB 4Å; Q907-A930 WeakPolarHBondContact CG-O 3.47Å; D926-A930 PolarHBondContact O-N 3.22Å; V927-A930 WeakPolarHBondContact O-CB 3.41Å; V927-A930 PolarHBondContact O-N 3.37Å; L928-A930 VanDerWaalsContact C-N 3.3Å; L928-A930 PolarHBondContact O-N 3.01Å |
| 931 | G | 98 | Very high | 98.4 | Very high | 2 Ų | 2 | 14.3 Ų | 14.3 | 2% | 0.021 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | 15.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | V927 L928 W929 | V927-G931 PolarHBondContact O-N 3.04Å; L928-G931 PolarHBondContact O-N 3.26Å; W929-G931 PolarHBondContact O-N 2.68Å |
| 932 | T | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.077 | C | C | . | . | trans | -93.6 | 120.8 | -176.8 | -65.5 | 0 | 0 | 0 | 0 | 109.5 | G906 A909 C912 V927 | G906-T932 PolarHBondContact O-OG1 3.5Å; A909-T932 HydrophobicContact CB-CG2 4.05Å; C912-T932 HydrophobicContact CB-CG2 4.28Å; V927-T932 PolarHBondContact O-N 3.49Å; V927-T932 VanDerWaalsContact O-N 3.09Å | ||
| 933 | P | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.071 | C | C | . | . | trans | -56.6 | 138.8 | 174.9 | -23.7 | 33.1 | 0 | 0 | 0 | 111.1 | D910 V911 C912 L959 V984 R985 V988 | D910-P933 WeakPolarHBondContact O-CD 3.2Å; V911-P933 CarbonylContact C-O 3.59Å; C912-P933 PolarHBondContact N-O 2.91Å; P933-L959 HydrophobicContact CB-CD1 3.88Å; P933-V984 HydrophobicContact CB-CG1 3.83Å; P933-V984 HydrophobicContact CG-CG1 3.76Å; P933-R985 HydrophobicContact CG-CB 4.4Å; P933-R985 HydrophobicContact CG-CG 3.63Å; P933-V988 HydrophobicContact CB-CG2 4.29Å; P933-V988 HydrophobicContact CG-CG2 4.16Å | ||
| 934 | M | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 11.5 Ų | 11.5 | 1% | 0.005 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 123.2 | 178.1 | -179.6 | 175.1 | 61.8 | 0 | 0 | 109.2 | C912 D914 V927 L928 A947 L951 L959 | C912-M934 HydrophobicContact CB-CB 4.12Å; C912-M934 HydrophobicContact CB-CG 4.18Å; C912-M934 CarbonylContact O-C 3.3Å; C912-M934 WeakPolarHBondContact O-CA 3.5Å; D914-M934 HydrophobicContact CB-CG 3.95Å; D914-M934 HydrophobicContact CB-SD 4.1Å; V927-M934 HydrophobicContact CG2-CB 4.35Å; V927-M934 HydrophobicContact CG2-SD 4.1Å; L928-M934 HydrophobicContact CD1-CE 4.22Å; L928-M934 HydrophobicContact CD2-CB 4.18Å; M934-A947 HydrophobicContact CE-CB 3.53Å; M934-A947 HydrophobicContact SD-CB 4.28Å; M934-L951 HydrophobicContact CE-CD1 4.39Å; M934-L951 HydrophobicContact CE-CG 4.29Å; M934-L951 VanDerWaalsContact O-CD1 3.28Å; M934-L951 WeakPolarHBondContact O-CD1 3.48Å; M934-L959 VanDerWaalsContact O-CB 3.31Å; M934-L959 WeakPolarHBondContact O-CB 3.43Å |
| 935 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 130 | 172.2 | -174.8 | 0 | 0 | 0 | 0 | 108.2 | V911 C912 L913 D914 L959 Y967 V970 L974 | V911-V935 HydrophobicContact CG1-CG2 3.82Å; C912-V935 PolarHBondContact O-N 3.49Å; L913-V935 HydrophobicContact CD2-CB 4.4Å; D914-V935 WeakPolarHBondContact CB-O 3.31Å; D914-V935 PolarHBondContact N-O 3.38Å; V935-L959 WeakPolarHBondContact CA-O 3.37Å; V935-L959 HydrophobicContact CG2-CD2 4.46Å; V935-Y967 HydrophobicContact CB-CE2 4.25Å; V935-Y967 HydrophobicContact CG1-CD2 3.75Å; V935-Y967 HydrophobicContact CG1-CE2 3.79Å; V935-Y967 HydrophobicContact CG1-CG 4.24Å; V935-Y967 WeakPolarHBondContact O-CE2 3.48Å; V935-V970 HydrophobicContact CG1-CB 4.21Å; V935-V970 HydrophobicContact CG1-CG1 3.95Å; V935-V970 HydrophobicContact CG2-CG1 3.89Å; V935-L974 HydrophobicContact CG2-CD1 3.62Å |
| 936 | T | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | B | Isolated β-bridge | trans | -134.7 | 163.1 | 178.2 | -167.4 | 0 | 0 | 0 | 0 | 111.5 | D914 A947 A948 L951 L959 I960 A961 | D914-T936 WeakPolarHBondContact OD2-CB 3.44Å; D914-T936 PolarHBondContact OD2-OG1 3.47Å; T936-A947 HydrophobicContact CG2-CB 4.03Å; T936-A947 WeakPolarHBondContact OG1-CB 3.44Å; T936-A948 HydrophobicContact CG2-CB 4.08Å; T936-L951 HydrophobicContact CG2-CD1 3.57Å; T936-L959 PolarHBondContact N-O 2.91Å; T936-I960 HydrophobicContact CG2-CG1 4.37Å; T936-I960 HydrophobicContact CG2-CG2 4.48Å; T936-A961 PolarHBondContact O-N 2.92Å |
| 937 | M | 98.8 | Very high | 98.4 | Very high | 24 Ų | 24 | 13.4 Ų | 13.4 | 12% | 0.118 | 7% | 0.073 | C | C | . | . | trans | -133.6 | 102 | 173.7 | -177.5 | -176.2 | 75.2 | 0 | 0 | 107.8 | P916 G939 A961 R964 Y967 | P916-M937 HydrophobicContact CB-CB 4.25Å; P916-M937 HydrophobicContact CB-CE 3.64Å; P916-M937 HydrophobicContact CG-CB 4.05Å; P916-M937 HydrophobicContact CG-CE 3.92Å; M937-G939 PolarHBondContact O-N 3.02Å; M937-A961 WeakPolarHBondContact CA-O 3.36Å; M937-A961 WeakPolarHBondContact CG-O 3.39Å; M937-R964 HydrophobicContact CE-CG 4Å; M937-R964 HydrophobicContact SD-CB 4.45Å; M937-R964 HydrophobicContact SD-CG 3.9Å; M937-R964 PolarHBondContact SD-N 3.09Å; M937-Y967 HydrophobicContact CB-CD2 3.85Å | ||
| 938 | P | 98.4 | Very high | 98.4 | Very high | 25 Ų | 25 | 13.4 Ų | 13.4 | 16% | 0.162 | 7% | 0.073 | C | C | . | . | trans | -65.2 | 126.4 | -175.9 | 24.7 | -31.6 | 0 | 0 | 0 | 111 | S944 R945 A948 I960 A961 | P938-S944 VanDerWaalsContact CA-O 3.29Å; P938-S944 WeakPolarHBondContact CA-O 3.42Å; P938-R945 HydrophobicContact CB-CG 4.08Å; P938-A948 HydrophobicContact CB-CB 3.83Å; P938-A948 HydrophobicContact CG-CB 4Å; P938-I960 HydrophobicContact CG-CG2 3.83Å; P938-A961 VanDerWaalsContact CD-O 3.3Å; P938-A961 WeakPolarHBondContact CD-O 3.48Å | ||
| 939 | G | 96.1 | Very high | 98.4 | Very high | 27 Ų | 27 | 13.4 Ų | 13.4 | 28% | 0.278 | 7% | 0.073 | S | C | . | . | trans | -84.2 | -154.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | M937 S944 R945 | M937-G939 PolarHBondContact O-N 3.02Å; G939-S944 WeakPolarHBondContact CA-OG 3.42Å; G939-S944 PolarHBondContact N-O 3.15Å; G939-S944 VanDerWaalsContact N-O 3.09Å; G939-R945 VanDerWaalsContact O-CD 3.23Å; G939-R945 WeakPolarHBondContact O-CD 3.4Å; G939-R945 WeakPolarHBondContact O-CG 3.48Å; G939-R945 PolarHBondContact O-NH1 2.87Å | ||
| 940 | E | 95.1 | Very high | 98.4 | Very high | 130 Ų | 130 | 13.3 Ų | 13.3 | 61% | 0.607 | 7% | 0.073 | S | C | * | . | S | Bend | trans | -97.3 | -29.9 | 179.6 | -58.7 | 176.8 | 167 | 0 | 0 | 113.1 | H507 Q681 S944 | H507-E940 IonicContact CE1-OE2 3.78Å; H507-E940 IonicContact NE2-OE2 3.92Å; H507-E940 PolarHBondContact NE2-OE2 3.47Å; Q681-E940 PolarHBondContact NE2-O 3.19Å; E940-S944 PolarHBondContact N-OG 3.23Å |
| 941 | T | 98 | Very high | 98.4 | Very high | 13 Ų | 13 | 13.3 Ų | 13.3 | 8% | 0.08 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -76.8 | 151.5 | -178.6 | 74.5 | 0 | 0 | 0 | 0 | 110.9 | A943 S944 R945 | T941-A943 PolarHBondContact O-N 3.16Å; T941-S944 PolarHBondContact N-OG 3.5Å; T941-S944 PolarHBondContact O-N 3.47Å; T941-S944 PolarHBondContact O-OG 2.98Å; T941-S944 WeakPolarHBondContact OG1-CB 3.45Å; T941-S944 PolarHBondContact OG1-N 3.29Å; T941-S944 PolarHBondContact OG1-OG 3.06Å; T941-R945 WeakPolarHBondContact O-CG 3.43Å; T941-R945 PolarHBondContact O-N 3.03Å |
| 942 | L | 98.6 | Very high | 98.4 | Very high | 6 Ų | 6 | 16 Ų | 16 | 3% | 0.031 | 9% | 0.086 | C | C | . | . | G | 310 helix | trans | -47.1 | -51.6 | 171.4 | -170.7 | 161.1 | 0 | 0 | 0 | 110.9 | P656 I667 T673 Y682 F693 S944 R945 V946 | P656-L942 HydrophobicContact CB-CD2 3.84Å; I667-L942 HydrophobicContact CD1-CD1 3.9Å; T673-L942 HydrophobicContact CG2-CD1 4.42Å; T673-L942 HydrophobicContact CG2-CD2 3.95Å; T673-L942 HydrophobicContact CG2-CG 3.61Å; Y682-L942 HydrophobicContact CE1-CB 4.4Å; Y682-L942 HydrophobicContact CE1-CD1 3.94Å; Y682-L942 WeakPolarHBondContact OH-CB 3.44Å; F693-L942 HydrophobicContact CE1-CD2 4.49Å; F693-L942 HydrophobicContact CZ-CD2 4.11Å; L942-S944 PolarHBondContact O-N 3.34Å; L942-S944 VanDerWaalsContact O-N 3.17Å; L942-R945 PolarHBondContact O-N 3.05Å; L942-V946 HydrophobicContact CD2-CG2 3.93Å; L942-V946 WeakPolarHBondContact O-CG2 3.08Å; L942-V946 PolarHBondContact O-N 3.09Å |
| 943 | A | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | G | 310 helix | trans | -61.1 | -26.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | M501 P656 N919 H921 T941 | M501-A943 HydrophobicContact CB-CB 4.25Å; M501-A943 HydrophobicContact CG-CB 4.34Å; M501-A943 HydrophobicContact SD-CB 3.34Å; M501-A943 WeakPolarHBondContact SD-CB 3.45Å; P656-A943 HydrophobicContact CB-CB 4.1Å; P656-A943 HydrophobicContact CG-CB 4.45Å; N919-A943 PolarHBondContact N-O 3.01Å; N919-A943 PolarHBondContact OD1-O 2.95Å; H921-A943 PolarHBondContact NE2-O 3.04Å; T941-A943 PolarHBondContact O-N 3.16Å |
| 944 | S | 98.6 | Very high | 98.4 | Very high | 4 Ų | 4 | 16.7 Ų | 16.7 | 3% | 0.028 | 9% | 0.091 | C | C | . | . | G | 310 helix | trans | -90.4 | 1.5 | 177.2 | 57.4 | 0 | 0 | 0 | 0 | 114.3 | P916 N919 P938 G939 E940 T941 L942 | P916-S944 WeakPolarHBondContact O-CB 3.31Å; N919-S944 VanDerWaalsContact CG-C 3.49Å; N919-S944 PolarHBondContact ND2-O 2.94Å; N919-S944 PolarHBondContact OD1-O 3.31Å; P938-S944 VanDerWaalsContact CA-O 3.29Å; P938-S944 WeakPolarHBondContact CA-O 3.42Å; G939-S944 WeakPolarHBondContact CA-OG 3.42Å; G939-S944 PolarHBondContact N-O 3.15Å; G939-S944 VanDerWaalsContact N-O 3.09Å; E940-S944 PolarHBondContact N-OG 3.23Å; T941-S944 PolarHBondContact N-OG 3.5Å; T941-S944 PolarHBondContact O-N 3.47Å; T941-S944 PolarHBondContact O-OG 2.98Å; T941-S944 WeakPolarHBondContact OG1-CB 3.45Å; T941-S944 PolarHBondContact OG1-N 3.29Å; T941-S944 PolarHBondContact OG1-OG 3.06Å; L942-S944 PolarHBondContact O-N 3.34Å; L942-S944 VanDerWaalsContact O-N 3.17Å |
| 945 | R | 98.8 | Very high | 98.3 | Very high | 45 Ų | 45 | 18.2 Ų | 18.2 | 17% | 0.17 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | -11.2 | -176.6 | -63.8 | -179.3 | 67.7 | 77.8 | 5.6 | 114.8 | E672 T673 N919 P938 G939 T941 L942 A947 A948 S949 | E672-R945 VanDerWaalsContact O-CZ 3.26Å; E672-R945 PolarHBondContact O-NE 2.6Å; E672-R945 PolarHBondContact O-NH2 3.26Å; T673-R945 VanDerWaalsContact O-CD 3.31Å; T673-R945 WeakPolarHBondContact O-CD 3.45Å; T673-R945 PolarHBondContact O-NE 2.84Å; N919-R945 WeakPolarHBondContact OD1-CA 3.42Å; N919-R945 PolarHBondContact OD1-N 2.87Å; P938-R945 HydrophobicContact CB-CG 4.08Å; G939-R945 VanDerWaalsContact O-CD 3.23Å; G939-R945 WeakPolarHBondContact O-CD 3.4Å; G939-R945 WeakPolarHBondContact O-CG 3.48Å; G939-R945 PolarHBondContact O-NH1 2.87Å; T941-R945 WeakPolarHBondContact O-CG 3.43Å; T941-R945 PolarHBondContact O-N 3.03Å; L942-R945 PolarHBondContact O-N 3.05Å; R945-A947 VanDerWaalsContact C-N 3.34Å; R945-A947 PolarHBondContact O-N 3.4Å; R945-A948 PolarHBondContact O-N 3.23Å; R945-S949 PolarHBondContact O-N 2.74Å; R945-S949 VanDerWaalsContact O-N 3.13Å |
| 946 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -56.9 | -43.9 | -177.2 | -179.3 | 0 | 0 | 0 | 0 | 112.2 | F693 F694 N919 H921 L942 A948 S949 Q950 | F693-V946 HydrophobicContact CE1-CG1 4.43Å; F693-V946 HydrophobicContact CE1-CG2 4.12Å; F693-V946 HydrophobicContact CZ-CG2 4.29Å; F694-V946 HydrophobicContact CB-CG1 4.41Å; F694-V946 HydrophobicContact CD2-CG1 3.63Å; F694-V946 HydrophobicContact CE2-CG1 4.03Å; F694-V946 HydrophobicContact CG-CG1 3.94Å; N919-V946 PolarHBondContact OD1-N 3.43Å; H921-V946 HydrophobicContact CB-CG1 4.47Å; L942-V946 HydrophobicContact CD2-CG2 3.93Å; L942-V946 WeakPolarHBondContact O-CG2 3.08Å; L942-V946 PolarHBondContact O-N 3.09Å; V946-A948 VanDerWaalsContact C-N 3.32Å; V946-A948 PolarHBondContact O-N 2.97Å; V946-S949 WeakPolarHBondContact O-CB 3.47Å; V946-S949 PolarHBondContact O-N 2.91Å; V946-Q950 HydrophobicContact CG1-CG 4.36Å; V946-Q950 WeakPolarHBondContact O-CG 3.37Å; V946-Q950 PolarHBondContact O-N 3.3Å |
| 947 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.5 | -36.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D914 N919 M934 T936 R945 Q950 L951 | D914-A947 VanDerWaalsContact OD2-CB 3.25Å; D914-A947 WeakPolarHBondContact OD2-CB 3.48Å; N919-A947 HydrophobicContact CB-CB 3.7Å; N919-A947 PolarHBondContact OD1-N 3.22Å; M934-A947 HydrophobicContact CE-CB 3.53Å; M934-A947 HydrophobicContact SD-CB 4.28Å; T936-A947 HydrophobicContact CG2-CB 4.03Å; T936-A947 WeakPolarHBondContact OG1-CB 3.44Å; R945-A947 VanDerWaalsContact C-N 3.34Å; R945-A947 PolarHBondContact O-N 3.4Å; A947-Q950 PolarHBondContact O-N 3.44Å; A947-L951 WeakPolarHBondContact O-CB 3.47Å; A947-L951 VanDerWaalsContact O-CG 3.28Å; A947-L951 WeakPolarHBondContact O-CG 3.38Å; A947-L951 PolarHBondContact O-N 3.17Å |
| 948 | A | 98.8 | Very high | 98 | Very high | 3 Ų | 3 | 23 Ų | 23 | 3% | 0.025 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.9 | -41.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | T936 P938 R945 V946 L951 N952 I960 | T936-A948 HydrophobicContact CG2-CB 4.08Å; P938-A948 HydrophobicContact CB-CB 3.83Å; P938-A948 HydrophobicContact CG-CB 4Å; R945-A948 PolarHBondContact O-N 3.23Å; V946-A948 VanDerWaalsContact C-N 3.32Å; V946-A948 PolarHBondContact O-N 2.97Å; A948-L951 PolarHBondContact O-N 3.32Å; A948-N952 WeakPolarHBondContact O-CB 3.38Å; A948-N952 PolarHBondContact O-N 2.97Å; A948-I960 HydrophobicContact CB-CD1 4.15Å; A948-I960 HydrophobicContact CB-CG1 4.41Å; A948-I960 HydrophobicContact CB-CG2 3.89Å; A948-I960 WeakPolarHBondContact O-CD1 3.48Å |
| 949 | S | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.3 | -43.5 | 174 | -177.8 | 0 | 0 | 0 | 0 | 112.4 | D670 T673 T692 R945 V946 L951 N952 C953 | D670-S949 PolarHBondContact OD1-OG 3.5Å; D670-S949 PolarHBondContact OD2-OG 3.49Å; T673-S949 WeakPolarHBondContact OG1-CB 3.37Å; T673-S949 PolarHBondContact OG1-OG 3Å; T692-S949 WeakPolarHBondContact CB-OG 3.32Å; T692-S949 PolarHBondContact OG1-OG 2.9Å; R945-S949 PolarHBondContact O-N 2.74Å; R945-S949 VanDerWaalsContact O-N 3.13Å; V946-S949 WeakPolarHBondContact O-CB 3.47Å; V946-S949 PolarHBondContact O-N 2.91Å; S949-L951 PolarHBondContact O-N 2.65Å; S949-N952 PolarHBondContact O-N 3.05Å; S949-C953 WeakPolarHBondContact O-CB 3.3Å; S949-C953 PolarHBondContact O-N 2.96Å |
| 950 | Q | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.8 | -45.7 | 174.2 | -69 | 169.3 | -3.9 | 0 | 0 | 111.8 | F694 H921 M925 L928 V946 A947 C953 L954 L997 | F694-Q950 HydrophobicContact CB-CG 4.29Å; H921-Q950 PolarHBondContact O-NE2 2.94Å; M925-Q950 HydrophobicContact SD-CG 3.94Å; L928-Q950 HydrophobicContact CD1-CB 4.14Å; V946-Q950 HydrophobicContact CG1-CG 4.36Å; V946-Q950 WeakPolarHBondContact O-CG 3.37Å; V946-Q950 PolarHBondContact O-N 3.3Å; A947-Q950 PolarHBondContact O-N 3.44Å; Q950-C953 PolarHBondContact O-N 2.86Å; Q950-L954 WeakPolarHBondContact O-CB 3.2Å; Q950-L954 PolarHBondContact O-N 3.35Å; Q950-L997 HydrophobicContact CB-CD1 4.23Å; Q950-L997 HydrophobicContact CG-CD1 4.29Å |
| 951 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -69.1 | -36.5 | -179.8 | -71.6 | 167.6 | 0 | 0 | 0 | 113 | L928 M934 T936 A947 A948 S949 L954 G955 C956 L959 I960 | L928-L951 HydrophobicContact CD2-CD2 4.06Å; M934-L951 HydrophobicContact CE-CD1 4.39Å; M934-L951 HydrophobicContact CE-CG 4.29Å; M934-L951 VanDerWaalsContact O-CD1 3.28Å; M934-L951 WeakPolarHBondContact O-CD1 3.48Å; T936-L951 HydrophobicContact CG2-CD1 3.57Å; A947-L951 WeakPolarHBondContact O-CB 3.47Å; A947-L951 VanDerWaalsContact O-CG 3.28Å; A947-L951 WeakPolarHBondContact O-CG 3.38Å; A947-L951 PolarHBondContact O-N 3.17Å; A948-L951 PolarHBondContact O-N 3.32Å; S949-L951 PolarHBondContact O-N 2.65Å; L951-L954 PolarHBondContact O-N 3.43Å; L951-G955 PolarHBondContact O-N 3.38Å; L951-C956 HydrophobicContact CD2-CB 4.35Å; L951-C956 PolarHBondContact O-N 2.98Å; L951-L959 HydrophobicContact CD1-CB 4.06Å; L951-L959 HydrophobicContact CD2-CB 4.36Å; L951-L959 HydrophobicContact CD2-CD1 4.04Å; L951-I960 HydrophobicContact CB-CD1 4Å; L951-I960 HydrophobicContact CB-CG1 4Å; L951-I960 HydrophobicContact CD1-CG1 3.98Å |
| 952 | N | 98.4 | Very high | 98.3 | Very high | 57 Ų | 57 | 21 Ų | 21 | 31% | 0.305 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -64.7 | -44.8 | 172.8 | -84.1 | -29.1 | 0 | 0 | 0 | 111.2 | E672 A948 S949 L954 G955 I960 | E672-N952 HydrophobicContact CG-CB 4.13Å; E672-N952 WeakPolarHBondContact CG-ND2 3.29Å; E672-N952 PolarHBondContact OE2-ND2 3.23Å; A948-N952 WeakPolarHBondContact O-CB 3.38Å; A948-N952 PolarHBondContact O-N 2.97Å; S949-N952 PolarHBondContact O-N 3.05Å; N952-L954 VanDerWaalsContact C-N 3.29Å; N952-L954 PolarHBondContact O-N 3.32Å; N952-G955 PolarHBondContact O-N 3.41Å; N952-I960 VanDerWaalsContact OD1-CD1 3.3Å; N952-I960 WeakPolarHBondContact OD1-CD1 3.37Å |
| 953 | C | 98.4 | Very high | 98.3 | Very high | 14 Ų | 14 | 24.3 Ų | 24.3 | 10% | 0.095 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.3 | -37.2 | 173.6 | -178.3 | 0 | 0 | 0 | 0 | 112.3 | N691 T692 S949 Q950 G955 S995 L997 | N691-C953 HydrophobicContact CB-CB 4.29Å; T692-C953 HydrophobicContact CG2-CB 3.64Å; S949-C953 WeakPolarHBondContact O-CB 3.3Å; S949-C953 PolarHBondContact O-N 2.96Å; Q950-C953 PolarHBondContact O-N 2.86Å; C953-G955 VanDerWaalsContact C-N 3.27Å; C953-G955 PolarHBondContact O-N 3.03Å; C953-S995 WeakPolarHBondContact O-CB 3.3Å; C953-L997 HydrophobicContact CB-CD1 4.24Å |
| 954 | L | 98.2 | Very high | 98.4 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70 | -22.7 | 175.2 | -169 | 65.6 | 0 | 0 | 0 | 112.9 | L928 Q950 L951 N952 V988 H991 R992 L997 | L928-L954 HydrophobicContact CD1-CD2 4.29Å; L928-L954 HydrophobicContact CD2-CD2 3.79Å; L928-L954 HydrophobicContact CG-CD2 4.48Å; Q950-L954 WeakPolarHBondContact O-CB 3.2Å; Q950-L954 PolarHBondContact O-N 3.35Å; L951-L954 PolarHBondContact O-N 3.43Å; N952-L954 VanDerWaalsContact C-N 3.29Å; N952-L954 PolarHBondContact O-N 3.32Å; L954-V988 HydrophobicContact CD2-CG1 4.17Å; L954-V988 HydrophobicContact CD2-CG2 4.25Å; L954-H991 VanDerWaalsContact CD1-C 3.48Å; L954-H991 HydrophobicContact CD1-CB 3.72Å; L954-H991 HydrophobicContact CG-CB 4.04Å; L954-H991 VanDerWaalsContact O-CB 3.28Å; L954-H991 WeakPolarHBondContact O-CB 3.3Å; L954-H991 PolarHBondContact O-ND1 3Å; L954-R992 HydrophobicContact CD1-CB 4.32Å; L954-L997 HydrophobicContact CB-CD2 4.13Å; L954-L997 HydrophobicContact CD1-CD2 4.09Å |
| 955 | G | 97.1 | Very high | 98.4 | Very high | 33 Ų | 33 | 34.2 Ų | 34.2 | 34% | 0.34 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 38.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L951 N952 C953 | L951-G955 PolarHBondContact O-N 3.38Å; N952-G955 PolarHBondContact O-N 3.41Å; C953-G955 VanDerWaalsContact C-N 3.27Å; C953-G955 PolarHBondContact O-N 3.03Å |
| 956 | C | 97.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -125.1 | 57.7 | 174.7 | -59.9 | 0 | 0 | 0 | 0 | 112.1 | L951 E958 L959 | L951-C956 HydrophobicContact CD2-CB 4.35Å; L951-C956 PolarHBondContact O-N 2.98Å; C956-E958 WeakPolarHBondContact CA-OE2 3.41Å; C956-E958 PolarHBondContact O-N 3.43Å; C956-L959 HydrophobicContact CB-CD1 3.92Å; C956-L959 HydrophobicContact CB-CG 4.32Å; C956-L959 PolarHBondContact O-N 3.16Å | ||
| 957 | P | 97.1 | Very high | 98.4 | Very high | 72 Ų | 72 | 35.6 Ų | 35.6 | 47% | 0.468 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -64.6 | -21.4 | -177.2 | 28.9 | -36.7 | 0 | 0 | 0 | 113.6 | L959 I960 | P957-L959 PolarHBondContact O-N 2.88Å; P957-L959 VanDerWaalsContact O-N 3.07Å; P957-I960 WeakPolarHBondContact O-CB 3.46Å; P957-I960 PolarHBondContact O-N 3.31Å |
| 958 | E | 96.9 | Very high | 98.4 | Very high | 52 Ų | 52 | 36.3 Ų | 36.3 | 24% | 0.243 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -64.8 | -8.5 | 176.3 | 71.3 | -79 | -173 | 0 | 0 | 114.3 | C956 R987 | C956-E958 WeakPolarHBondContact CA-OE2 3.41Å; C956-E958 PolarHBondContact O-N 3.43Å; E958-R987 IonicContact OE1-CZ 2.84Å; E958-R987 IonicContact OE1-NH1 3.76Å; E958-R987 PolarHBondContact OE1-NH1 3.33Å; E958-R987 IonicContact OE2-NH1 2.92Å |
| 959 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -97.7 | 2.3 | 176.2 | -59 | 179.4 | 0 | 0 | 0 | 113.2 | P933 M934 V935 T936 L951 C956 P957 V970 L974 V984 | P933-L959 HydrophobicContact CB-CD1 3.88Å; M934-L959 VanDerWaalsContact O-CB 3.31Å; M934-L959 WeakPolarHBondContact O-CB 3.43Å; V935-L959 WeakPolarHBondContact CA-O 3.37Å; V935-L959 HydrophobicContact CG2-CD2 4.46Å; T936-L959 PolarHBondContact N-O 2.91Å; L951-L959 HydrophobicContact CD1-CB 4.06Å; L951-L959 HydrophobicContact CD2-CB 4.36Å; L951-L959 HydrophobicContact CD2-CD1 4.04Å; C956-L959 HydrophobicContact CB-CD1 3.92Å; C956-L959 HydrophobicContact CB-CG 4.32Å; C956-L959 PolarHBondContact O-N 3.16Å; P957-L959 PolarHBondContact O-N 2.88Å; P957-L959 VanDerWaalsContact O-N 3.07Å; L959-V970 HydrophobicContact CD2-CG1 4.21Å; L959-L974 HydrophobicContact CD2-CD1 3.78Å; L959-V984 HydrophobicContact CD1-CG1 4.04Å; L959-V984 HydrophobicContact CD2-CG1 4.03Å; L959-V984 HydrophobicContact CG-CG1 4.4Å |
| 960 | I | 98.8 | Very high | 98.4 | Very high | 17 Ų | 17 | 40.1 Ų | 40.1 | 9% | 0.087 | 21% | 0.21 | C | C | . | . | B | Isolated β-bridge | trans | -105.4 | 103.6 | -178.1 | -52.1 | 175.3 | 0 | 0 | 0 | 108.8 | T936 P938 A948 L951 N952 P957 | T936-I960 HydrophobicContact CG2-CG1 4.37Å; T936-I960 HydrophobicContact CG2-CG2 4.48Å; P938-I960 HydrophobicContact CG-CG2 3.83Å; A948-I960 HydrophobicContact CB-CD1 4.15Å; A948-I960 HydrophobicContact CB-CG1 4.41Å; A948-I960 HydrophobicContact CB-CG2 3.89Å; A948-I960 WeakPolarHBondContact O-CD1 3.48Å; L951-I960 HydrophobicContact CB-CD1 4Å; L951-I960 HydrophobicContact CB-CG1 4Å; L951-I960 HydrophobicContact CD1-CG1 3.98Å; N952-I960 VanDerWaalsContact OD1-CD1 3.3Å; N952-I960 WeakPolarHBondContact OD1-CD1 3.37Å; P957-I960 WeakPolarHBondContact O-CB 3.46Å; P957-I960 PolarHBondContact O-N 3.31Å |
| 961 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -86.1 | 141.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T936 M937 P938 E966 | T936-A961 PolarHBondContact O-N 2.92Å; M937-A961 WeakPolarHBondContact CA-O 3.36Å; M937-A961 WeakPolarHBondContact CG-O 3.39Å; P938-A961 VanDerWaalsContact CD-O 3.3Å; P938-A961 WeakPolarHBondContact CD-O 3.48Å; A961-E966 HydrophobicContact CB-CB 3.96Å; A961-E966 HydrophobicContact CB-CG 3.86Å | ||
| 962 | Q | 97.9 | Very high | 98.4 | Very high | 138 Ų | 138 | 40.9 Ų | 40.9 | 65% | 0.645 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -89.2 | -19.5 | 176.3 | -56.2 | -57.5 | -44.6 | 0 | 0 | 112.9 | E966 | Q962-E966 WeakPolarHBondContact CB-OE2 3.46Å; Q962-E966 PolarHBondContact N-OE2 3.32Å |
| 963 | T | 98.6 | Very high | 98.4 | Very high | 74 Ų | 74 | 43 Ų | 43 | 45% | 0.454 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -138.1 | 162.5 | -178.2 | 68.6 | 0 | 0 | 0 | 0 | 111.5 | Q965 E966 Y967 | T963-Q965 PolarHBondContact O-N 3.11Å; T963-E966 PolarHBondContact O-N 3.49Å; T963-E966 WeakPolarHBondContact OG1-CB 3.44Å; T963-E966 PolarHBondContact OG1-N 2.84Å; T963-E966 VanDerWaalsContact OG1-N 3.16Å; T963-Y967 PolarHBondContact O-N 2.98Å |
| 964 | R | 98.7 | Very high | 98.4 | Very high | 109 Ų | 109 | 42.3 Ų | 42.3 | 41% | 0.411 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57.9 | -39.3 | 174.9 | -63.7 | -175.8 | -175.6 | -88.3 | 1.9 | 111.8 | P847 M851 M937 Y967 E968 | P847-R964 VanDerWaalsContact CB-CZ 3.43Å; M851-R964 HydrophobicContact CG-CB 4.29Å; M851-R964 HydrophobicContact SD-CB 3.58Å; M851-R964 VanDerWaalsContact SD-CB 3.58Å; M851-R964 HydrophobicContact SD-CG 3.59Å; M851-R964 VanDerWaalsContact SD-CG 3.59Å; M937-R964 HydrophobicContact CE-CG 4Å; M937-R964 HydrophobicContact SD-CB 4.45Å; M937-R964 HydrophobicContact SD-CG 3.9Å; M937-R964 PolarHBondContact SD-N 3.09Å; R964-Y967 WeakPolarHBondContact O-CB 3.41Å; R964-Y967 PolarHBondContact O-N 3.43Å; R964-E968 WeakPolarHBondContact O-CG 3.37Å; R964-E968 PolarHBondContact O-N 3.48Å |
| 965 | Q | 98.7 | Very high | 98.4 | Very high | 103 Ų | 103 | 42.4 Ų | 42.4 | 48% | 0.481 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.4 | -46.6 | 178.1 | -175.2 | 58.4 | 55.2 | 0 | 0 | 111.3 | T963 Y967 E968 D969 | T963-Q965 PolarHBondContact O-N 3.11Å; Q965-Y967 VanDerWaalsContact C-N 3.31Å; Q965-Y967 PolarHBondContact O-N 3.24Å; Q965-E968 PolarHBondContact O-N 3.05Å; Q965-D969 PolarHBondContact NE2-OD1 3.46Å; Q965-D969 PolarHBondContact NE2-OD2 2.96Å; Q965-D969 WeakPolarHBondContact O-CB 3.48Å; Q965-D969 PolarHBondContact O-N 3.19Å |
| 966 | E | 98.8 | Very high | 98.4 | Very high | 74 Ų | 74 | 44.4 Ų | 44.4 | 35% | 0.346 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64 | -37.4 | 177 | -174.4 | 177.3 | -166.5 | 0 | 0 | 111.9 | A961 Q962 T963 E968 D969 V970 | A961-E966 HydrophobicContact CB-CB 3.96Å; A961-E966 HydrophobicContact CB-CG 3.86Å; Q962-E966 WeakPolarHBondContact CB-OE2 3.46Å; Q962-E966 PolarHBondContact N-OE2 3.32Å; T963-E966 PolarHBondContact O-N 3.49Å; T963-E966 WeakPolarHBondContact OG1-CB 3.44Å; T963-E966 PolarHBondContact OG1-N 2.84Å; T963-E966 VanDerWaalsContact OG1-N 3.16Å; E966-E968 VanDerWaalsContact C-N 3.33Å; E966-E968 PolarHBondContact O-N 2.99Å; E966-D969 PolarHBondContact O-N 3.21Å; E966-V970 HydrophobicContact CG-CG2 4.29Å; E966-V970 WeakPolarHBondContact O-CB 3.29Å; E966-V970 VanDerWaalsContact O-CG2 3.3Å; E966-V970 WeakPolarHBondContact O-CG2 3.18Å; E966-V970 PolarHBondContact O-N 3.38Å |
| 967 | Y | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.3 | -47.2 | 174.5 | -179.9 | -80.8 | 0 | 0 | 0 | 110.9 | M851 W852 I855 L913 D914 V935 M937 T963 R964 Q965 A971 | M851-Y967 HydrophobicContact CB-CD1 4.48Å; M851-Y967 HydrophobicContact CE-CD1 4.17Å; M851-Y967 HydrophobicContact CE-CE1 4.34Å; M851-Y967 HydrophobicContact SD-CD1 4.1Å; M851-Y967 HydrophobicContact SD-CG 4.4Å; W852-Y967 PolarHBondContact NE1-OH 3.19Å; I855-Y967 HydrophobicContact CD1-CD1 4.08Å; I855-Y967 HydrophobicContact CD1-CE1 3.8Å; L913-Y967 WeakPolarHBondContact CA-OH 3.18Å; L913-Y967 VanDerWaalsContact CB-OH 3.23Å; L913-Y967 WeakPolarHBondContact CB-OH 3.44Å; L913-Y967 HydrophobicContact CD2-CE1 4.35Å; D914-Y967 PolarHBondContact N-OH 3.01Å; D914-Y967 PolarHBondContact O-OH 2.99Å; V935-Y967 HydrophobicContact CB-CE2 4.25Å; V935-Y967 HydrophobicContact CG1-CD2 3.75Å; V935-Y967 HydrophobicContact CG1-CE2 3.79Å; V935-Y967 HydrophobicContact CG1-CG 4.24Å; V935-Y967 WeakPolarHBondContact O-CE2 3.48Å; M937-Y967 HydrophobicContact CB-CD2 3.85Å; T963-Y967 PolarHBondContact O-N 2.98Å; R964-Y967 WeakPolarHBondContact O-CB 3.41Å; R964-Y967 PolarHBondContact O-N 3.43Å; Q965-Y967 VanDerWaalsContact C-N 3.31Å; Q965-Y967 PolarHBondContact O-N 3.24Å; Y967-A971 WeakPolarHBondContact O-CB 3.43Å; Y967-A971 PolarHBondContact O-N 3.13Å; Y967-A971 VanDerWaalsContact O-N 3.14Å |
| 968 | E | 98.9 | Very high | 98.2 | Very high | 16 Ų | 16 | 48.6 Ų | 48.6 | 8% | 0.075 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.8 | -42.4 | 175 | -65.8 | -178.8 | -163.5 | 0 | 0 | 112.1 | M851 N854 I855 R858 R964 Q965 E966 A971 V972 | M851-E968 HydrophobicContact CB-CG 4.13Å; M851-E968 HydrophobicContact CG-CG 4.43Å; N854-E968 HydrophobicContact CB-CG 4.49Å; N854-E968 VanDerWaalsContact CB-OE2 3.26Å; N854-E968 WeakPolarHBondContact CB-OE2 3.12Å; N854-E968 PolarHBondContact ND2-OE1 3.3Å; I855-E968 HydrophobicContact CD1-CG 4.36Å; I855-E968 HydrophobicContact CG1-CB 4.04Å; I855-E968 HydrophobicContact CG1-CG 4.03Å; R858-E968 IonicContact NH1-OE2 2.65Å; R964-E968 WeakPolarHBondContact O-CG 3.37Å; R964-E968 PolarHBondContact O-N 3.48Å; Q965-E968 PolarHBondContact O-N 3.05Å; E966-E968 VanDerWaalsContact C-N 3.33Å; E966-E968 PolarHBondContact O-N 2.99Å; E968-A971 PolarHBondContact O-N 3.42Å; E968-V972 VanDerWaalsContact O-CB 3.31Å; E968-V972 WeakPolarHBondContact O-CB 3.37Å; E968-V972 WeakPolarHBondContact O-CG2 3.48Å; E968-V972 PolarHBondContact O-N 3.02Å |
| 969 | D | 98.8 | Very high | 98 | Very high | 64 Ų | 64 | 52.4 Ų | 52.4 | 34% | 0.342 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67 | -42.1 | -177.3 | -67.5 | -24 | 0 | 0 | 0 | 112.4 | R858 Q965 E966 V972 K973 | R858-D969 IonicContact CZ-OD1 3.74Å; R858-D969 VanDerWaalsContact CZ-OD1 3.23Å; R858-D969 IonicContact NH1-OD1 3.59Å; R858-D969 PolarHBondContact NH1-OD1 3.43Å; R858-D969 IonicContact NH2-OD1 3.78Å; R858-D969 PolarHBondContact NH2-OD1 3.48Å; Q965-D969 PolarHBondContact NE2-OD1 3.46Å; Q965-D969 PolarHBondContact NE2-OD2 2.96Å; Q965-D969 WeakPolarHBondContact O-CB 3.48Å; Q965-D969 PolarHBondContact O-N 3.19Å; E966-D969 PolarHBondContact O-N 3.21Å; D969-V972 PolarHBondContact O-N 3.13Å; D969-K973 VanDerWaalsContact O-CB 3.26Å; D969-K973 WeakPolarHBondContact O-CB 3.4Å; D969-K973 PolarHBondContact O-N 3.49Å |
| 970 | V | 98.8 | Very high | 97.9 | Very high | 19 Ų | 19 | 54.2 Ų | 54.2 | 12% | 0.115 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.1 | -47.6 | 174.2 | 172 | 0 | 0 | 0 | 0 | 110.3 | V935 L959 E966 K973 L974 | V935-V970 HydrophobicContact CG1-CB 4.21Å; V935-V970 HydrophobicContact CG1-CG1 3.95Å; V935-V970 HydrophobicContact CG2-CG1 3.89Å; L959-V970 HydrophobicContact CD2-CG1 4.21Å; E966-V970 HydrophobicContact CG-CG2 4.29Å; E966-V970 WeakPolarHBondContact O-CB 3.29Å; E966-V970 VanDerWaalsContact O-CG2 3.3Å; E966-V970 WeakPolarHBondContact O-CG2 3.18Å; E966-V970 PolarHBondContact O-N 3.38Å; V970-K973 PolarHBondContact O-N 3.21Å; V970-L974 HydrophobicContact CG1-CD1 4.11Å; V970-L974 WeakPolarHBondContact O-CG 3.45Å; V970-L974 PolarHBondContact O-N 3.26Å |
| 971 | A | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.3 | -48.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y835 I855 L913 Y967 E968 K973 L974 G975 | Y835-A971 HydrophobicContact CE1-CB 4.31Å; Y835-A971 PolarHBondContact OH-O 3Å; I855-A971 HydrophobicContact CD1-CB 3.55Å; I855-A971 HydrophobicContact CG1-CB 3.92Å; I855-A971 HydrophobicContact CG2-CB 4.04Å; L913-A971 HydrophobicContact CD2-CB 3.7Å; Y967-A971 WeakPolarHBondContact O-CB 3.43Å; Y967-A971 PolarHBondContact O-N 3.13Å; Y967-A971 VanDerWaalsContact O-N 3.14Å; E968-A971 PolarHBondContact O-N 3.42Å; A971-K973 VanDerWaalsContact C-N 3.33Å; A971-K973 PolarHBondContact O-N 3.31Å; A971-L974 WeakPolarHBondContact O-CB 3.23Å; A971-L974 PolarHBondContact O-N 3.31Å; A971-G975 PolarHBondContact O-N 3.39Å |
| 972 | V | 98.9 | Very high | 97.6 | Very high | 16 Ų | 16 | 59 Ų | 59 | 10% | 0.097 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 179.1 | 169.3 | 0 | 0 | 0 | 0 | 111.5 | I855 R858 V859 E968 D969 L974 G975 S976 | I855-V972 HydrophobicContact CB-CG2 4.42Å; I855-V972 HydrophobicContact CG1-CG2 4.34Å; I855-V972 HydrophobicContact CG2-CG2 4.24Å; R858-V972 HydrophobicContact CB-CG1 4.15Å; R858-V972 HydrophobicContact CB-CG2 3.64Å; R858-V972 HydrophobicContact CG-CG2 4.47Å; V859-V972 HydrophobicContact CG2-CB 4.26Å; V859-V972 HydrophobicContact CG2-CG1 4.08Å; V859-V972 HydrophobicContact CG2-CG2 4.1Å; E968-V972 VanDerWaalsContact O-CB 3.31Å; E968-V972 WeakPolarHBondContact O-CB 3.37Å; E968-V972 WeakPolarHBondContact O-CG2 3.48Å; E968-V972 PolarHBondContact O-N 3.02Å; D969-V972 PolarHBondContact O-N 3.13Å; V972-L974 PolarHBondContact O-N 2.92Å; V972-G975 CarbonylContact O-C 3.55Å; V972-G975 PolarHBondContact O-N 3.01Å; V972-G975 VanDerWaalsContact O-N 3.14Å; V972-S976 WeakPolarHBondContact O-CB 3.48Å; V972-S976 PolarHBondContact O-N 3.35Å; V972-S976 PolarHBondContact O-OG 3.19Å |
| 973 | K | 98.7 | Very high | 97.4 | Very high | 100 Ų | 100 | 54.7 Ų | 54.7 | 44% | 0.435 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59 | -47.4 | 174.3 | -173.3 | 180 | 180 | -176.6 | 0 | 110.9 | D969 V970 A971 G975 S976 D977 Y980 | D969-K973 VanDerWaalsContact O-CB 3.26Å; D969-K973 WeakPolarHBondContact O-CB 3.4Å; D969-K973 PolarHBondContact O-N 3.49Å; V970-K973 PolarHBondContact O-N 3.21Å; A971-K973 VanDerWaalsContact C-N 3.33Å; A971-K973 PolarHBondContact O-N 3.31Å; K973-G975 VanDerWaalsContact C-N 3.28Å; K973-G975 PolarHBondContact O-N 3.06Å; K973-S976 PolarHBondContact O-N 3.45Å; K973-D977 WeakPolarHBondContact O-CB 3.45Å; K973-D977 PolarHBondContact O-N 3.06Å; K973-Y980 HydrophobicContact CD-CD1 3.94Å; K973-Y980 HydrophobicContact CD-CE1 3.81Å; K973-Y980 HydrophobicContact CD-CG 4.44Å; K973-Y980 HydrophobicContact CG-CD1 3.8Å; K973-Y980 HydrophobicContact CG-CE1 4.06Å; K973-Y980 HydrophobicContact CG-CG 4.43Å |
| 974 | L | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.2 | -31.9 | 175.4 | -69.8 | 163 | 0 | 0 | 0 | 112.8 | V911 V935 L959 V970 A971 V972 Y980 L981 V984 | V911-L974 HydrophobicContact CG1-CD1 3.98Å; V911-L974 HydrophobicContact CG2-CB 3.67Å; V911-L974 HydrophobicContact CG2-CD1 4.11Å; V911-L974 HydrophobicContact CG2-CG 4.39Å; V935-L974 HydrophobicContact CG2-CD1 3.62Å; L959-L974 HydrophobicContact CD2-CD1 3.78Å; V970-L974 HydrophobicContact CG1-CD1 4.11Å; V970-L974 WeakPolarHBondContact O-CG 3.45Å; V970-L974 PolarHBondContact O-N 3.26Å; A971-L974 WeakPolarHBondContact O-CB 3.23Å; A971-L974 PolarHBondContact O-N 3.31Å; V972-L974 PolarHBondContact O-N 2.92Å; L974-Y980 HydrophobicContact CD2-CD1 3.78Å; L974-Y980 HydrophobicContact CD2-CE1 3.7Å; L974-Y980 HydrophobicContact CG-CD1 4.29Å; L974-Y980 HydrophobicContact CG-CE1 4.08Å; L974-L981 HydrophobicContact CB-CD1 4.33Å; L974-L981 HydrophobicContact CD2-CD1 4.16Å; L974-L981 WeakPolarHBondContact O-CB 3.36Å; L974-V984 HydrophobicContact CD2-CB 4.05Å; L974-V984 HydrophobicContact CD2-CG1 4.17Å; L974-V984 HydrophobicContact CD2-CG2 4.07Å |
| 975 | G | 98.1 | Very high | 97.2 | Very high | 4 Ų | 4 | 46.3 Ų | 46.3 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -85 | -11 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | I833 Y835 V859 A971 V972 K973 M978 | I833-G975 WeakPolarHBondContact CG1-O 3.33Å; Y835-G975 VanDerWaalsContact OH-CA 3.29Å; Y835-G975 WeakPolarHBondContact OH-CA 3.32Å; V859-G975 WeakPolarHBondContact CG1-O 3.43Å; A971-G975 PolarHBondContact O-N 3.39Å; V972-G975 CarbonylContact O-C 3.55Å; V972-G975 PolarHBondContact O-N 3.01Å; V972-G975 VanDerWaalsContact O-N 3.14Å; K973-G975 VanDerWaalsContact C-N 3.28Å; K973-G975 PolarHBondContact O-N 3.06Å; G975-M978 VanDerWaalsContact O-CE 3.27Å; G975-M978 WeakPolarHBondContact O-CE 3.24Å |
| 976 | S | 97.4 | Very high | 97 | Very high | 74 Ų | 74 | 41.4 Ų | 41.4 | 52% | 0.517 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -120 | -26.6 | -175.9 | -63.8 | 0 | 0 | 0 | 0 | 113.8 | V972 K973 | V972-S976 WeakPolarHBondContact O-CB 3.48Å; V972-S976 PolarHBondContact O-N 3.35Å; V972-S976 PolarHBondContact O-OG 3.19Å; K973-S976 PolarHBondContact O-N 3.45Å |
| 977 | D | 97.1 | Very high | 96.9 | Very high | 70 Ų | 70 | 39.6 Ų | 39.6 | 37% | 0.374 | 20% | 0.196 | S | C | . | . | trans | -102.5 | 97.4 | 174.6 | -175.6 | -17.4 | 0 | 0 | 0 | 110 | K973 E979 Y980 L981 | K973-D977 WeakPolarHBondContact O-CB 3.45Å; K973-D977 PolarHBondContact O-N 3.06Å; D977-E979 VanDerWaalsContact C-N 3.33Å; D977-E979 PolarHBondContact O-N 3.14Å; D977-E979 PolarHBondContact OD1-N 3.45Å; D977-Y980 PolarHBondContact O-N 3.47Å; D977-Y980 PolarHBondContact OD1-N 3.29Å; D977-Y980 WeakPolarHBondContact OD2-CB 3.37Å; D977-L981 WeakPolarHBondContact O-CB 3.39Å; D977-L981 PolarHBondContact O-N 3.22Å | ||
| 978 | M | 93.1 | Very high | 96.8 | Very high | 90 Ų | 90 | 39.6 Ų | 39.6 | 44% | 0.443 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -67.6 | -30.3 | -175.4 | -65 | -57.2 | 106.2 | 0 | 0 | 113.3 | I833 G975 L981 K982 | I833-M978 HydrophobicContact CD1-CE 3.71Å; I833-M978 HydrophobicContact CD1-SD 3.93Å; I833-M978 HydrophobicContact CG1-CE 4.16Å; G975-M978 VanDerWaalsContact O-CE 3.27Å; G975-M978 WeakPolarHBondContact O-CE 3.24Å; M978-L981 HydrophobicContact CE-CD2 4.49Å; M978-L981 HydrophobicContact SD-CD2 4.28Å; M978-K982 VanDerWaalsContact O-CB 3.26Å; M978-K982 WeakPolarHBondContact O-CB 3.44Å; M978-K982 PolarHBondContact O-N 2.92Å |
| 979 | E | 93.1 | Very high | 96.7 | Very high | 133 Ų | 133 | 39.8 Ų | 39.8 | 62% | 0.621 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -74.2 | -40 | 176.9 | -71.4 | -59.4 | 126.2 | 0 | 0 | 110.4 | D977 K982 M983 | D977-E979 VanDerWaalsContact C-N 3.33Å; D977-E979 PolarHBondContact O-N 3.14Å; D977-E979 PolarHBondContact OD1-N 3.45Å; E979-K982 PolarHBondContact O-N 3.13Å; E979-M983 WeakPolarHBondContact O-CB 3.38Å; E979-M983 PolarHBondContact O-N 3.12Å |
| 980 | Y | 95.9 | Very high | 96.5 | Very high | 37 Ų | 37 | 40.5 Ų | 40.5 | 15% | 0.145 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.9 | -46.3 | 171.8 | -174.5 | -108.3 | 0 | 0 | 0 | 111.8 | K973 L974 D977 K982 M983 V984 | K973-Y980 HydrophobicContact CD-CD1 3.94Å; K973-Y980 HydrophobicContact CD-CE1 3.81Å; K973-Y980 HydrophobicContact CD-CG 4.44Å; K973-Y980 HydrophobicContact CG-CD1 3.8Å; K973-Y980 HydrophobicContact CG-CE1 4.06Å; K973-Y980 HydrophobicContact CG-CG 4.43Å; L974-Y980 HydrophobicContact CD2-CD1 3.78Å; L974-Y980 HydrophobicContact CD2-CE1 3.7Å; L974-Y980 HydrophobicContact CG-CD1 4.29Å; L974-Y980 HydrophobicContact CG-CE1 4.08Å; D977-Y980 PolarHBondContact O-N 3.47Å; D977-Y980 PolarHBondContact OD1-N 3.29Å; D977-Y980 WeakPolarHBondContact OD2-CB 3.37Å; Y980-K982 VanDerWaalsContact C-N 3.35Å; Y980-K982 PolarHBondContact O-N 2.85Å; Y980-M983 HydrophobicContact CD2-CE 3.59Å; Y980-M983 HydrophobicContact CE2-CE 3.57Å; Y980-M983 PolarHBondContact O-N 3.43Å; Y980-V984 HydrophobicContact CD1-CG2 4.27Å; Y980-V984 HydrophobicContact CD2-CG2 4.38Å; Y980-V984 HydrophobicContact CE1-CG2 3.91Å; Y980-V984 HydrophobicContact CE2-CG2 4.03Å; Y980-V984 HydrophobicContact CG-CG2 4.49Å; Y980-V984 WeakPolarHBondContact O-CG2 3.28Å; Y980-V984 PolarHBondContact O-N 3.4Å |
| 981 | L | 96.8 | Very high | 96.4 | Very high | 8 Ų | 8 | 41.6 Ų | 41.6 | 4% | 0.042 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -55.7 | -49.3 | 174.8 | 178.1 | 61 | 0 | 0 | 0 | 111.6 | I833 D910 V911 L974 D977 M978 M983 V984 R985 | I833-L981 HydrophobicContact CD1-CD2 3.88Å; D910-L981 HydrophobicContact CB-CD2 4.14Å; V911-L981 HydrophobicContact CG2-CD1 3.75Å; L974-L981 HydrophobicContact CB-CD1 4.33Å; L974-L981 HydrophobicContact CD2-CD1 4.16Å; L974-L981 WeakPolarHBondContact O-CB 3.36Å; D977-L981 WeakPolarHBondContact O-CB 3.39Å; D977-L981 PolarHBondContact O-N 3.22Å; M978-L981 HydrophobicContact CE-CD2 4.49Å; M978-L981 HydrophobicContact SD-CD2 4.28Å; L981-M983 VanDerWaalsContact C-N 3.33Å; L981-M983 PolarHBondContact O-N 3.41Å; L981-V984 PolarHBondContact O-N 3.05Å; L981-R985 HydrophobicContact CD1-CG 3.96Å; L981-R985 HydrophobicContact CG-CG 4.34Å; L981-R985 WeakPolarHBondContact O-CB 3.24Å; L981-R985 VanDerWaalsContact O-CG 3.23Å; L981-R985 WeakPolarHBondContact O-CG 3.45Å; L981-R985 PolarHBondContact O-N 2.94Å |
| 982 | K | 94.3 | Very high | 96.3 | Very high | 110 Ų | 110 | 41.7 Ų | 41.7 | 48% | 0.478 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.6 | -41.7 | 179.9 | -176 | 178.5 | 179.6 | -179.3 | 0 | 112.2 | M978 E979 Y980 A986 | M978-K982 VanDerWaalsContact O-CB 3.26Å; M978-K982 WeakPolarHBondContact O-CB 3.44Å; M978-K982 PolarHBondContact O-N 2.92Å; E979-K982 PolarHBondContact O-N 3.13Å; Y980-K982 VanDerWaalsContact C-N 3.35Å; Y980-K982 PolarHBondContact O-N 2.85Å; K982-A986 WeakPolarHBondContact O-CB 3.34Å; K982-A986 PolarHBondContact O-N 3.29Å |
| 983 | M | 94.6 | Very high | 96.1 | Very high | 47 Ų | 47 | 45.2 Ų | 45.2 | 23% | 0.232 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.1 | -51.6 | 176 | -178.8 | -164.9 | 72.8 | 0 | 0 | 111.2 | C748 E979 Y980 L981 R985 A986 R987 | C748-M983 WeakPolarHBondContact O-CG 3.38Å; E979-M983 WeakPolarHBondContact O-CB 3.38Å; E979-M983 PolarHBondContact O-N 3.12Å; Y980-M983 HydrophobicContact CD2-CE 3.59Å; Y980-M983 HydrophobicContact CE2-CE 3.57Å; Y980-M983 PolarHBondContact O-N 3.43Å; L981-M983 VanDerWaalsContact C-N 3.33Å; L981-M983 PolarHBondContact O-N 3.41Å; M983-R985 PolarHBondContact O-N 3.14Å; M983-A986 PolarHBondContact O-N 3.4Å; M983-R987 PolarHBondContact O-N 3.25Å |
| 984 | V | 96.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.5 | -41.8 | -178.6 | 176.5 | 0 | 0 | 0 | 0 | 111.3 | P933 L959 L974 Y980 L981 A986 R987 V988 | P933-V984 HydrophobicContact CB-CG1 3.83Å; P933-V984 HydrophobicContact CG-CG1 3.76Å; L959-V984 HydrophobicContact CD1-CG1 4.04Å; L959-V984 HydrophobicContact CD2-CG1 4.03Å; L959-V984 HydrophobicContact CG-CG1 4.4Å; L974-V984 HydrophobicContact CD2-CB 4.05Å; L974-V984 HydrophobicContact CD2-CG1 4.17Å; L974-V984 HydrophobicContact CD2-CG2 4.07Å; Y980-V984 HydrophobicContact CD1-CG2 4.27Å; Y980-V984 HydrophobicContact CD2-CG2 4.38Å; Y980-V984 HydrophobicContact CE1-CG2 3.91Å; Y980-V984 HydrophobicContact CE2-CG2 4.03Å; Y980-V984 HydrophobicContact CG-CG2 4.49Å; Y980-V984 WeakPolarHBondContact O-CG2 3.28Å; Y980-V984 PolarHBondContact O-N 3.4Å; L981-V984 PolarHBondContact O-N 3.05Å; V984-A986 VanDerWaalsContact C-N 3.35Å; V984-A986 PolarHBondContact O-N 2.91Å; V984-R987 WeakPolarHBondContact O-CB 3.35Å; V984-R987 PolarHBondContact O-N 3.4Å; V984-V988 WeakPolarHBondContact O-CG2 3.3Å; V984-V988 PolarHBondContact O-N 3.41Å |
| 985 | R | 96.8 | Very high | 95.7 | Very high | 7 Ų | 7 | 45.8 Ų | 45.8 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.9 | -43.1 | 174.1 | -72.6 | 178 | 65.8 | 74.9 | 0.5 | 112 | D721 A909 D910 P933 L981 M983 R987 V988 W989 | D721-R985 IonicContact OD1-CZ 3.26Å; D721-R985 IonicContact OD1-NE 2.87Å; D721-R985 PolarHBondContact OD1-NE 3.16Å; D721-R985 IonicContact OD1-NH2 3.44Å; D721-R985 PolarHBondContact OD1-NH2 3.47Å; D721-R985 IonicContact OD2-CZ 3.39Å; D721-R985 IonicContact OD2-NE 3.18Å; D721-R985 PolarHBondContact OD2-NE 2.94Å; D721-R985 VanDerWaalsContact OD2-NE 3.1Å; D721-R985 IonicContact OD2-NH2 3.02Å; D721-R985 PolarHBondContact OD2-NH2 3.4Å; A909-R985 PolarHBondContact O-NH1 3.47Å; D910-R985 PolarHBondContact O-NH1 2.91Å; P933-R985 HydrophobicContact CG-CB 4.4Å; P933-R985 HydrophobicContact CG-CG 3.63Å; L981-R985 HydrophobicContact CD1-CG 3.96Å; L981-R985 HydrophobicContact CG-CG 4.34Å; L981-R985 WeakPolarHBondContact O-CB 3.24Å; L981-R985 VanDerWaalsContact O-CG 3.23Å; L981-R985 WeakPolarHBondContact O-CG 3.45Å; L981-R985 PolarHBondContact O-N 2.94Å; M983-R985 PolarHBondContact O-N 3.14Å; R985-R987 VanDerWaalsContact C-N 3.34Å; R985-V988 PolarHBondContact O-N 2.96Å; R985-W989 VanDerWaalsContact O-CB 3.31Å; R985-W989 WeakPolarHBondContact O-CB 3.45Å; R985-W989 PolarHBondContact O-N 3.29Å |
| 986 | A | 94.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63 | -41.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | M746 K747 C748 L763 K982 M983 V984 W989 K990 | M746-A986 HydrophobicContact CB-CB 4.22Å; M746-A986 HydrophobicContact CE-CB 4.11Å; K747-A986 WeakPolarHBondContact O-CB 3.4Å; C748-A986 PolarHBondContact SG-O 3.27Å; L763-A986 HydrophobicContact CD2-CB 4.32Å; K982-A986 WeakPolarHBondContact O-CB 3.34Å; K982-A986 PolarHBondContact O-N 3.29Å; M983-A986 PolarHBondContact O-N 3.4Å; V984-A986 VanDerWaalsContact C-N 3.35Å; V984-A986 PolarHBondContact O-N 2.91Å; A986-W989 PolarHBondContact O-N 2.93Å; A986-K990 PolarHBondContact O-N 3.2Å |
| 987 | R | 95.2 | Very high | 95.8 | Very high | 35 Ų | 35 | 44.2 Ų | 44.2 | 13% | 0.132 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60 | -52.3 | 175.6 | -174.7 | -179 | -64.5 | 158.3 | -2.3 | 111.5 | D749 E958 M983 V984 R985 W989 K990 H991 | D749-R987 IonicContact OD1-CZ 3.6Å; D749-R987 IonicContact OD1-NE 3.51Å; D749-R987 PolarHBondContact OD1-NE 3.43Å; D749-R987 IonicContact OD1-NH2 3.57Å; D749-R987 PolarHBondContact OD1-NH2 3.46Å; E958-R987 IonicContact OE1-CZ 2.84Å; E958-R987 IonicContact OE1-NH1 3.76Å; E958-R987 PolarHBondContact OE1-NH1 3.33Å; E958-R987 IonicContact OE2-NH1 2.92Å; M983-R987 PolarHBondContact O-N 3.25Å; V984-R987 WeakPolarHBondContact O-CB 3.35Å; V984-R987 PolarHBondContact O-N 3.4Å; R985-R987 VanDerWaalsContact C-N 3.34Å; R987-W989 VanDerWaalsContact C-N 3.32Å; R987-W989 PolarHBondContact O-N 3.23Å; R987-K990 PolarHBondContact O-N 3.3Å; R987-H991 VanDerWaalsContact O-CB 3.3Å; R987-H991 WeakPolarHBondContact O-CB 3.32Å; R987-H991 PolarHBondContact O-CD2 3.42Å; R987-H991 PolarHBondContact O-N 3.28Å |
| 988 | V | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.7 | -45.3 | 176.5 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | L928 P933 L954 V984 R985 K990 H991 R992 | L928-V988 HydrophobicContact CD2-CG1 4.23Å; P933-V988 HydrophobicContact CB-CG2 4.29Å; P933-V988 HydrophobicContact CG-CG2 4.16Å; L954-V988 HydrophobicContact CD2-CG1 4.17Å; L954-V988 HydrophobicContact CD2-CG2 4.25Å; V984-V988 WeakPolarHBondContact O-CG2 3.3Å; V984-V988 PolarHBondContact O-N 3.41Å; R985-V988 PolarHBondContact O-N 2.96Å; V988-K990 VanDerWaalsContact C-N 3.32Å; V988-K990 PolarHBondContact O-N 2.93Å; V988-H991 PolarHBondContact O-N 2.97Å; V988-R992 PolarHBondContact O-N 3.42Å |
| 989 | W | 96.8 | Very high | 96.1 | Very high | 21 Ų | 21 | 40.4 Ų | 40.4 | 8% | 0.08 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.2 | -38.3 | 178.9 | -175.2 | -96.3 | 0 | 0 | 0 | 113.4 | L705 K706 K708 R985 A986 R987 R992 | L705-W989 WeakPolarHBondContact O-CH2 3.5Å; K706-W989 WeakPolarHBondContact O-CZ2 3.45Å; K708-W989 HydrophobicContact CB-CH2 3.97Å; K708-W989 HydrophobicContact CB-CZ2 4.29Å; K708-W989 HydrophobicContact CD-CH2 3.79Å; K708-W989 HydrophobicContact CD-CZ2 4.26Å; K708-W989 HydrophobicContact CD-CZ3 4Å; K708-W989 HydrophobicContact CG-CH2 3.72Å; K708-W989 HydrophobicContact CG-CZ2 3.82Å; K708-W989 HydrophobicContact CG-CZ3 4.42Å; R985-W989 VanDerWaalsContact O-CB 3.31Å; R985-W989 WeakPolarHBondContact O-CB 3.45Å; R985-W989 PolarHBondContact O-N 3.29Å; A986-W989 PolarHBondContact O-N 2.93Å; R987-W989 VanDerWaalsContact C-N 3.32Å; R987-W989 PolarHBondContact O-N 3.23Å; W989-R992 VanDerWaalsContact CZ3-NH2 3.27Å; W989-R992 WeakPolarHBondContact O-CG 3.28Å; W989-R992 PolarHBondContact O-NE 3.21Å |
| 990 | K | 95.1 | Very high | 96.4 | Very high | 79 Ų | 79 | 34.7 Ų | 34.7 | 34% | 0.343 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -74.3 | -50.7 | 175.5 | -176.6 | -176.4 | 175.9 | -171.4 | 0 | 111.2 | C748 L763 A986 R987 V988 R992 I993 C994 | C748-K990 HydrophobicContact CB-CD 4.47Å; L763-K990 HydrophobicContact CD1-CB 3.81Å; L763-K990 HydrophobicContact CD1-CG 4.08Å; L763-K990 HydrophobicContact CD2-CB 4.32Å; A986-K990 PolarHBondContact O-N 3.2Å; R987-K990 PolarHBondContact O-N 3.3Å; V988-K990 VanDerWaalsContact C-N 3.32Å; V988-K990 PolarHBondContact O-N 2.93Å; K990-R992 VanDerWaalsContact C-N 3.33Å; K990-R992 PolarHBondContact O-N 2.93Å; K990-I993 PolarHBondContact O-N 2.97Å; K990-I993 VanDerWaalsContact O-N 3.15Å; K990-C994 PolarHBondContact O-N 3.02Å |
| 991 | H | 95.9 | Very high | 96.5 | Very high | 42 Ų | 42 | 37.5 Ų | 37.5 | 19% | 0.194 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.2 | -26.4 | -169.8 | -75.3 | -157 | 0 | 0 | 0 | 113 | L954 R987 V988 I993 C994 S995 | L954-H991 VanDerWaalsContact CD1-C 3.48Å; L954-H991 HydrophobicContact CD1-CB 3.72Å; L954-H991 HydrophobicContact CG-CB 4.04Å; L954-H991 VanDerWaalsContact O-CB 3.28Å; L954-H991 WeakPolarHBondContact O-CB 3.3Å; L954-H991 PolarHBondContact O-ND1 3Å; R987-H991 VanDerWaalsContact O-CB 3.3Å; R987-H991 WeakPolarHBondContact O-CB 3.32Å; R987-H991 PolarHBondContact O-CD2 3.42Å; R987-H991 PolarHBondContact O-N 3.28Å; V988-H991 PolarHBondContact O-N 2.97Å; H991-I993 PolarHBondContact O-N 3.28Å; H991-C994 PolarHBondContact O-N 3.38Å; H991-S995 WeakPolarHBondContact O-CA 3.42Å; H991-S995 WeakPolarHBondContact O-CB 3.32Å; H991-S995 PolarHBondContact O-N 2.98Å; H991-S995 PolarHBondContact O-OG 3.29Å |
| 992 | R | 95.9 | Very high | 96.6 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.1 | -19 | 173.5 | 74.3 | -172.4 | 179.7 | 103.1 | -9.3 | 113.6 | L705 K706 W929 L954 V988 W989 K990 F998 | L705-R992 PolarHBondContact O-NH1 3.23Å; L705-R992 PolarHBondContact O-NH2 3.42Å; K706-R992 PolarHBondContact O-NH2 2.97Å; W929-R992 HydrophobicContact CE3-CG 4.5Å; W929-R992 WeakPolarHBondContact O-CD 3.42Å; W929-R992 PolarHBondContact O-NH1 3.11Å; W929-R992 VanDerWaalsContact O-NH1 3.07Å; L954-R992 HydrophobicContact CD1-CB 4.32Å; V988-R992 PolarHBondContact O-N 3.42Å; W989-R992 VanDerWaalsContact CZ3-NH2 3.27Å; W989-R992 WeakPolarHBondContact O-CG 3.28Å; W989-R992 PolarHBondContact O-NE 3.21Å; K990-R992 VanDerWaalsContact C-N 3.33Å; K990-R992 PolarHBondContact O-N 2.93Å; R992-F998 HydrophobicContact CB-CD2 3.99Å; R992-F998 HydrophobicContact CB-CE2 3.93Å; R992-F998 WeakPolarHBondContact O-CD2 3.34Å |
| 993 | I | 95 | Very high | 96.8 | Very high | 89 Ų | 89 | 35.8 Ų | 35.8 | 46% | 0.456 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -99.4 | -41.8 | 175.9 | -54 | -58.3 | 0 | 0 | 0 | 111.4 | K706 W929 K990 H991 | K706-I993 HydrophobicContact CG-CD1 4.15Å; W929-I993 HydrophobicContact CH2-CD1 3.74Å; W929-I993 HydrophobicContact CZ3-CD1 3.94Å; K990-I993 PolarHBondContact O-N 2.97Å; K990-I993 VanDerWaalsContact O-N 3.15Å; H991-I993 PolarHBondContact O-N 3.28Å |
| 994 | C | 93.3 | Very high | 97 | Very high | 97 Ų | 97 | 33.6 Ų | 33.6 | 66% | 0.655 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -86 | -23.2 | -173.5 | -59.5 | 0 | 0 | 0 | 0 | 114.2 | K990 H991 | K990-C994 PolarHBondContact O-N 3.02Å; H991-C994 PolarHBondContact O-N 3.38Å |
| 995 | S | 96.8 | Very high | 97.1 | Very high | 15 Ų | 15 | 36.5 Ų | 36.5 | 11% | 0.105 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -82.6 | 165.6 | 178.3 | 73.1 | 0 | 0 | 0 | 0 | 111.8 | C953 H991 L997 | C953-S995 WeakPolarHBondContact O-CB 3.3Å; H991-S995 WeakPolarHBondContact O-CA 3.42Å; H991-S995 WeakPolarHBondContact O-CB 3.32Å; H991-S995 PolarHBondContact O-N 2.98Å; H991-S995 PolarHBondContact O-OG 3.29Å; S995-L997 PolarHBondContact O-N 3.47Å; S995-L997 PolarHBondContact OG-N 3.46Å |
| 996 | P | 97.9 | Very high | 97.1 | Very high | 44 Ų | 44 | 36.8 Ų | 36.8 | 29% | 0.286 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -67 | -15.8 | 175.7 | -21.5 | 34.7 | 0 | 0 | 0 | 114.9 | F998 N999 | P996-F998 VanDerWaalsContact C-N 3.31Å; P996-F998 PolarHBondContact O-N 3.01Å; P996-F998 VanDerWaalsContact O-N 3.14Å; P996-N999 PolarHBondContact O-N 2.81Å |
| 997 | L | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -56.2 | -37.1 | -165.3 | -175.6 | 62.6 | 0 | 0 | 0 | 114.9 | T692 M925 L928 Q950 C953 L954 S995 | T692-L997 HydrophobicContact CG2-CD1 3.84Å; M925-L997 HydrophobicContact CE-CD1 3.73Å; M925-L997 HydrophobicContact CE-CD2 4.39Å; M925-L997 HydrophobicContact CE-CG 3.69Å; M925-L997 WeakPolarHBondContact CE-O 3.46Å; M925-L997 HydrophobicContact SD-CD1 3.75Å; M925-L997 HydrophobicContact SD-CD2 4.24Å; M925-L997 HydrophobicContact SD-CG 4.02Å; L928-L997 HydrophobicContact CD1-CD2 3.84Å; Q950-L997 HydrophobicContact CB-CD1 4.23Å; Q950-L997 HydrophobicContact CG-CD1 4.29Å; C953-L997 HydrophobicContact CB-CD1 4.24Å; L954-L997 HydrophobicContact CB-CD2 4.13Å; L954-L997 HydrophobicContact CD1-CD2 4.09Å; S995-L997 PolarHBondContact O-N 3.47Å; S995-L997 PolarHBondContact OG-N 3.46Å |
| 998 | F | 98.6 | Very high | 97.5 | Very high | 9 Ų | 9 | 35.8 Ų | 35.8 | 4% | 0.039 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -114.1 | 14.7 | 178.2 | -62.9 | -84 | 0 | 0 | 0 | 112.6 | H698 M925 L928 W929 R992 P996 T1000 | H698-F998 HydrophobicContact CB-CD1 3.88Å; H698-F998 HydrophobicContact CB-CE1 3.95Å; H698-F998 AromaticContact CG-CE1 3.69Å; H698-F998 AromaticContact ND1-CD1 3.82Å; H698-F998 AromaticContact ND1-CE1 3.54Å; M925-F998 HydrophobicContact CB-CE1 4.05Å; M925-F998 HydrophobicContact CB-CZ 4.34Å; M925-F998 HydrophobicContact CE-CD1 3.71Å; M925-F998 HydrophobicContact CE-CE1 3.41Å; M925-F998 VanDerWaalsContact CE-CE1 3.41Å; M925-F998 HydrophobicContact CE-CE2 4.41Å; M925-F998 HydrophobicContact CE-CG 4.35Å; M925-F998 HydrophobicContact CE-CZ 3.79Å; M925-F998 WeakPolarHBondContact O-CZ 3.33Å; M925-F998 HydrophobicContact SD-CE1 4.37Å; M925-F998 HydrophobicContact SD-CZ 4.33Å; L928-F998 HydrophobicContact CB-CE2 4.3Å; L928-F998 HydrophobicContact CB-CZ 4.14Å; W929-F998 HydrophobicContact CB-CE1 4.04Å; W929-F998 HydrophobicContact CB-CZ 3.95Å; W929-F998 HydrophobicContact CE3-CB 4.21Å; W929-F998 AromaticContact CE3-CD1 3.74Å; W929-F998 HydrophobicContact CE3-CD1 3.74Å; W929-F998 AromaticContact CE3-CD2 3.82Å; W929-F998 HydrophobicContact CE3-CD2 3.82Å; W929-F998 AromaticContact CE3-CE1 3.96Å; W929-F998 HydrophobicContact CE3-CE1 3.96Å; W929-F998 HydrophobicContact CE3-CE2 4.04Å; W929-F998 AromaticContact CE3-CG 3.66Å; W929-F998 HydrophobicContact CE3-CG 3.66Å; W929-F998 HydrophobicContact CE3-CZ 4.11Å; W929-F998 HydrophobicContact CZ3-CB 3.88Å; W929-F998 HydrophobicContact CZ3-CD1 4.25Å; W929-F998 HydrophobicContact CZ3-CD2 4.13Å; W929-F998 AromaticContact CZ3-CG 3.84Å; W929-F998 HydrophobicContact CZ3-CG 3.84Å; R992-F998 HydrophobicContact CB-CD2 3.99Å; R992-F998 HydrophobicContact CB-CE2 3.93Å; R992-F998 WeakPolarHBondContact O-CD2 3.34Å; P996-F998 VanDerWaalsContact C-N 3.31Å; P996-F998 PolarHBondContact O-N 3.01Å; P996-F998 VanDerWaalsContact O-N 3.14Å; F998-T1000 PolarHBondContact O-N 2.83Å |
| 999 | N | 98.6 | Very high | 97.5 | Very high | 71 Ų | 71 | 40.4 Ų | 40.4 | 38% | 0.38 | 20% | 0.202 | S | C | . | . | trans | -93.1 | 84.3 | 178.4 | -170.9 | -21.8 | 0 | 0 | 0 | 110 | P996 K1001 Q1002 Y1003 | P996-N999 PolarHBondContact O-N 2.81Å; N999-K1001 PolarHBondContact O-N 3.33Å; N999-K1001 PolarHBondContact OD1-N 2.88Å; N999-Q1002 HydrophobicContact CB-CB 4.15Å; N999-Q1002 PolarHBondContact O-N 3.04Å; N999-Q1002 PolarHBondContact OD1-N 3.37Å; N999-Y1003 WeakPolarHBondContact O-CB 3.39Å; N999-Y1003 PolarHBondContact O-N 3.21Å | ||
| 1000 | T | 98.6 | Very high | 97.6 | Very high | 14 Ų | 14 | 39.5 Ų | 39.5 | 9% | 0.086 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.7 | -31.6 | -179.3 | 46.3 | 0 | 0 | 0 | 0 | 113.2 | I567 M570 I695 F998 T1004 | I567-T1000 HydrophobicContact CD1-CG2 4.43Å; M570-T1000 WeakPolarHBondContact CE-OG1 3.49Å; M570-T1000 PolarHBondContact SD-OG1 3.45Å; I695-T1000 HydrophobicContact CD1-CG2 4.1Å; I695-T1000 HydrophobicContact CG1-CG2 3.93Å; F998-T1000 PolarHBondContact O-N 2.83Å; T1000-T1004 WeakPolarHBondContact O-CB 3.14Å; T1000-T1004 PolarHBondContact O-N 3.37Å; T1000-T1004 PolarHBondContact O-OG1 3.48Å |
| 1001 | K | 98.5 | Very high | 97.8 | Very high | 96 Ų | 96 | 35.8 Ų | 35.8 | 42% | 0.417 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -70.6 | -48.9 | 178 | -176.3 | 60.3 | -179.1 | -179.9 | 0 | 111.9 | M570 N999 Y1003 T1004 I1005 | M570-K1001 HydrophobicContact CB-CD 4.22Å; M570-K1001 HydrophobicContact CG-CD 4.31Å; M570-K1001 PolarHBondContact O-NZ 3.2Å; M570-K1001 HydrophobicContact SD-CB 4.1Å; M570-K1001 HydrophobicContact SD-CD 4.44Å; N999-K1001 PolarHBondContact O-N 3.33Å; N999-K1001 PolarHBondContact OD1-N 2.88Å; K1001-Y1003 VanDerWaalsContact C-N 3.31Å; K1001-Y1003 PolarHBondContact O-N 3.34Å; K1001-T1004 PolarHBondContact O-N 3.1Å; K1001-I1005 HydrophobicContact CG-CD1 4.35Å; K1001-I1005 WeakPolarHBondContact O-CG1 3.21Å; K1001-I1005 PolarHBondContact O-N 3.35Å; K1001-I1005 VanDerWaalsContact O-N 3.11Å |
| 1002 | Q | 98.4 | Very high | 97.9 | Very high | 70 Ų | 70 | 36.2 Ų | 36.2 | 33% | 0.327 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.6 | -43.5 | 175.9 | -178.6 | 57.2 | 49.8 | 0 | 0 | 110.8 | N999 T1004 I1005 D1006 | N999-Q1002 HydrophobicContact CB-CB 4.15Å; N999-Q1002 PolarHBondContact O-N 3.04Å; N999-Q1002 PolarHBondContact OD1-N 3.37Å; Q1002-T1004 VanDerWaalsContact C-N 3.31Å; Q1002-T1004 PolarHBondContact O-N 3.22Å; Q1002-I1005 PolarHBondContact O-N 3.23Å; Q1002-D1006 VanDerWaalsContact NE2-CG 3.31Å; Q1002-D1006 PolarHBondContact NE2-OD1 3.18Å; Q1002-D1006 PolarHBondContact NE2-OD2 3.07Å; Q1002-D1006 PolarHBondContact O-N 3.46Å |
| 1003 | Y | 98.8 | Very high | 98 | Very high | 12 Ų | 12 | 37.1 Ų | 37.1 | 5% | 0.047 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55.8 | -45.6 | 175.2 | -175.8 | -79.7 | 0 | 0 | 0 | 111.9 | I567 W652 M689 F693 I695 N999 K1001 I1005 D1006 L1007 | I567-Y1003 HydrophobicContact CD1-CD1 3.91Å; W652-Y1003 AromaticContact CZ2-CE1 3.79Å; W652-Y1003 HydrophobicContact CZ2-CE1 3.79Å; W652-Y1003 PolarHBondContact NE1-OH 3.49Å; M689-Y1003 HydrophobicContact CE-CD1 4.18Å; M689-Y1003 HydrophobicContact CE-CD2 3.87Å; M689-Y1003 HydrophobicContact CE-CE1 3.97Å; M689-Y1003 HydrophobicContact CE-CE2 3.69Å; M689-Y1003 HydrophobicContact CE-CG 4.12Å; F693-Y1003 WeakPolarHBondContact O-CE2 3.17Å; F693-Y1003 PolarHBondContact O-OH 2.93Å; I695-Y1003 HydrophobicContact CB-CD1 4.29Å; I695-Y1003 HydrophobicContact CB-CD2 3.8Å; I695-Y1003 HydrophobicContact CB-CE1 4.28Å; I695-Y1003 HydrophobicContact CB-CE2 3.74Å; I695-Y1003 HydrophobicContact CB-CG 4.07Å; I695-Y1003 HydrophobicContact CD1-CD2 3.82Å; I695-Y1003 HydrophobicContact CD1-CG 3.82Å; I695-Y1003 HydrophobicContact CG1-CD1 4.14Å; I695-Y1003 HydrophobicContact CG1-CD2 3.95Å; I695-Y1003 HydrophobicContact CG1-CE2 4.39Å; I695-Y1003 HydrophobicContact CG1-CG 3.8Å; I695-Y1003 HydrophobicContact CG2-CE1 4.19Å; I695-Y1003 HydrophobicContact CG2-CE2 4.35Å; N999-Y1003 WeakPolarHBondContact O-CB 3.39Å; N999-Y1003 PolarHBondContact O-N 3.21Å; K1001-Y1003 VanDerWaalsContact C-N 3.31Å; K1001-Y1003 PolarHBondContact O-N 3.34Å; Y1003-I1005 PolarHBondContact O-N 3.11Å; Y1003-D1006 PolarHBondContact O-N 2.74Å; Y1003-L1007 HydrophobicContact CE1-CB 4.42Å; Y1003-L1007 HydrophobicContact CE1-CD2 4.21Å; Y1003-L1007 WeakPolarHBondContact O-CB 3.36Å; Y1003-L1007 PolarHBondContact O-N 2.92Å |
| 1004 | T | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62 | -42.4 | 178.5 | -53.4 | 0 | 0 | 0 | 0 | 111.4 | I567 M570 T1000 K1001 Q1002 D1006 L1007 E1008 | I567-T1004 WeakPolarHBondContact CD1-OG1 3.26Å; I567-T1004 HydrophobicContact CG2-CG2 4.26Å; M570-T1004 HydrophobicContact CB-CG2 4.03Å; T1000-T1004 WeakPolarHBondContact O-CB 3.14Å; T1000-T1004 PolarHBondContact O-N 3.37Å; T1000-T1004 PolarHBondContact O-OG1 3.48Å; K1001-T1004 PolarHBondContact O-N 3.1Å; Q1002-T1004 VanDerWaalsContact C-N 3.31Å; Q1002-T1004 PolarHBondContact O-N 3.22Å; T1004-D1006 VanDerWaalsContact C-N 3.32Å; T1004-D1006 PolarHBondContact O-N 3.39Å; T1004-L1007 PolarHBondContact O-N 2.9Å; T1004-E1008 HydrophobicContact CG2-CG 4.49Å; T1004-E1008 WeakPolarHBondContact O-CB 3.26Å; T1004-E1008 VanDerWaalsContact O-CG 3.23Å; T1004-E1008 WeakPolarHBondContact O-CG 3.39Å; T1004-E1008 PolarHBondContact O-N 3.06Å |
| 1005 | I | 98.6 | Very high | 98.4 | Very high | 62 Ų | 62 | 28.9 Ų | 28.9 | 32% | 0.318 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -62.2 | -40.7 | 177.1 | -67.4 | 165.5 | 0 | 0 | 0 | 111.3 | K1001 Q1002 Y1003 E1008 R1009 | K1001-I1005 HydrophobicContact CG-CD1 4.35Å; K1001-I1005 WeakPolarHBondContact O-CG1 3.21Å; K1001-I1005 PolarHBondContact O-N 3.35Å; K1001-I1005 VanDerWaalsContact O-N 3.11Å; Q1002-I1005 PolarHBondContact O-N 3.23Å; Y1003-I1005 PolarHBondContact O-N 3.11Å; I1005-E1008 WeakPolarHBondContact O-CB 3.48Å; I1005-E1008 PolarHBondContact O-N 3.17Å; I1005-R1009 PolarHBondContact O-N 3.4Å; I1005-R1009 VanDerWaalsContact O-N 3.1Å |
| 1006 | D | 98.4 | Very high | 98.4 | Very high | 13 Ų | 13 | 32.3 Ų | 32.3 | 7% | 0.07 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -71 | -36.3 | 178.3 | -68.9 | -36.9 | 0 | 0 | 0 | 112 | M689 P690 Q1002 Y1003 T1004 R1009 L1010 | M689-D1006 HydrophobicContact CE-CB 3.96Å; P690-D1006 HydrophobicContact CG-CB 3.73Å; Q1002-D1006 VanDerWaalsContact NE2-CG 3.31Å; Q1002-D1006 PolarHBondContact NE2-OD1 3.18Å; Q1002-D1006 PolarHBondContact NE2-OD2 3.07Å; Q1002-D1006 PolarHBondContact O-N 3.46Å; Y1003-D1006 PolarHBondContact O-N 2.74Å; T1004-D1006 VanDerWaalsContact C-N 3.32Å; T1004-D1006 PolarHBondContact O-N 3.39Å; D1006-R1009 PolarHBondContact O-N 3.22Å; D1006-R1009 IonicContact OD1-CZ 3.5Å; D1006-R1009 IonicContact OD1-NH1 2.74Å; D1006-R1009 PolarHBondContact OD1-NH1 2.69Å; D1006-R1009 IonicContact OD1-NH2 3.45Å; D1006-R1009 PolarHBondContact OD1-NH2 2.78Å; D1006-L1010 PolarHBondContact O-N 2.86Å; D1006-L1010 VanDerWaalsContact O-N 3.12Å |
| 1007 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65 | -40.9 | 173.7 | -176.2 | 65.6 | 0 | 0 | 0 | 111.4 | I567 W652 I668 M689 Y1003 T1004 R1009 L1010 Y1011 | I567-L1007 HydrophobicContact CG2-CD2 4.25Å; W652-L1007 HydrophobicContact CH2-CD2 4.36Å; W652-L1007 HydrophobicContact CZ2-CD2 4.14Å; I668-L1007 HydrophobicContact CD1-CD1 3.86Å; I668-L1007 HydrophobicContact CG2-CD1 4.25Å; M689-L1007 HydrophobicContact CE-CB 4Å; M689-L1007 HydrophobicContact SD-CB 4.18Å; M689-L1007 HydrophobicContact SD-CD1 3.94Å; Y1003-L1007 HydrophobicContact CE1-CB 4.42Å; Y1003-L1007 HydrophobicContact CE1-CD2 4.21Å; Y1003-L1007 WeakPolarHBondContact O-CB 3.36Å; Y1003-L1007 PolarHBondContact O-N 2.92Å; T1004-L1007 PolarHBondContact O-N 2.9Å; L1007-R1009 PolarHBondContact O-N 2.88Å; L1007-L1010 WeakPolarHBondContact O-CB 3.49Å; L1007-L1010 PolarHBondContact O-N 3.41Å; L1007-Y1011 HydrophobicContact CD1-CE1 4.18Å; L1007-Y1011 HydrophobicContact CD1-CE2 4.1Å; L1007-Y1011 HydrophobicContact CD2-CE2 3.81Å; L1007-Y1011 HydrophobicContact CG-CD2 4.14Å; L1007-Y1011 HydrophobicContact CG-CE1 4.49Å; L1007-Y1011 HydrophobicContact CG-CE2 3.53Å; L1007-Y1011 WeakPolarHBondContact O-CD2 3.46Å; L1007-Y1011 PolarHBondContact O-N 3Å |
| 1008 | E | 98.8 | Very high | 98.3 | Very high | 15 Ų | 15 | 35.4 Ų | 35.4 | 7% | 0.07 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.4 | -44.2 | 173.2 | -78.6 | 179.4 | 161.6 | 0 | 0 | 112.5 | H571 N572 F576 T1004 I1005 L1010 Y1011 L1012 | H571-E1008 WeakPolarHBondContact CA-OE1 3.41Å; H571-E1008 IonicContact CG-OE1 3.65Å; H571-E1008 WeakPolarHBondContact ND1-CG 3.48Å; H571-E1008 IonicContact ND1-OE1 2.84Å; H571-E1008 PolarHBondContact ND1-OE1 2.97Å; N572-E1008 PolarHBondContact N-OE1 2.78Å; F576-E1008 HydrophobicContact CD1-CG 4.41Å; F576-E1008 HydrophobicContact CD2-CB 4.41Å; F576-E1008 HydrophobicContact CD2-CG 3.76Å; F576-E1008 VanDerWaalsContact CD2-OE1 3.28Å; F576-E1008 WeakPolarHBondContact CD2-OE1 3.4Å; F576-E1008 HydrophobicContact CE1-CB 4.18Å; F576-E1008 HydrophobicContact CE1-CG 4.04Å; F576-E1008 HydrophobicContact CE2-CB 3.53Å; F576-E1008 HydrophobicContact CE2-CG 3.37Å; F576-E1008 HydrophobicContact CG-CG 4.29Å; F576-E1008 HydrophobicContact CZ-CB 3.38Å; F576-E1008 HydrophobicContact CZ-CG 3.53Å; T1004-E1008 HydrophobicContact CG2-CG 4.49Å; T1004-E1008 WeakPolarHBondContact O-CB 3.26Å; T1004-E1008 VanDerWaalsContact O-CG 3.23Å; T1004-E1008 WeakPolarHBondContact O-CG 3.39Å; T1004-E1008 PolarHBondContact O-N 3.06Å; I1005-E1008 WeakPolarHBondContact O-CB 3.48Å; I1005-E1008 PolarHBondContact O-N 3.17Å; E1008-L1010 VanDerWaalsContact C-N 3.27Å; E1008-L1010 PolarHBondContact O-N 3.03Å; E1008-Y1011 PolarHBondContact O-N 3.23Å; E1008-L1012 WeakPolarHBondContact O-CG 3.37Å; E1008-L1012 PolarHBondContact O-N 3.07Å |
| 1009 | R | 98.4 | Very high | 98.1 | Very high | 96 Ų | 96 | 37.2 Ų | 37.2 | 36% | 0.362 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.3 | -42 | 175 | -169.8 | -174.3 | -58.8 | 116.5 | 6.1 | 110.9 | I1005 D1006 L1007 L1012 Q1013 | I1005-R1009 PolarHBondContact O-N 3.4Å; I1005-R1009 VanDerWaalsContact O-N 3.1Å; D1006-R1009 PolarHBondContact O-N 3.22Å; D1006-R1009 IonicContact OD1-CZ 3.5Å; D1006-R1009 IonicContact OD1-NH1 2.74Å; D1006-R1009 PolarHBondContact OD1-NH1 2.69Å; D1006-R1009 IonicContact OD1-NH2 3.45Å; D1006-R1009 PolarHBondContact OD1-NH2 2.78Å; L1007-R1009 PolarHBondContact O-N 2.88Å; R1009-L1012 PolarHBondContact O-N 3.07Å; R1009-Q1013 WeakPolarHBondContact O-CG 3.4Å; R1009-Q1013 PolarHBondContact O-N 3.05Å; R1009-Q1013 VanDerWaalsContact O-N 3.1Å |
| 1010 | L | 98.5 | Very high | 98 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.4 | -40.3 | 178.2 | -173.2 | 61.3 | 0 | 0 | 0 | 112 | I668 A687 M689 D1006 L1007 E1008 L1012 Q1013 M1014 L1027 | I668-L1010 HydrophobicContact CG1-CD2 4.31Å; I668-L1010 HydrophobicContact CG2-CD2 3.95Å; A687-L1010 HydrophobicContact CB-CD1 4.09Å; A687-L1010 HydrophobicContact CB-CD2 4.06Å; A687-L1010 HydrophobicContact CB-CG 4.37Å; M689-L1010 HydrophobicContact CG-CD2 4.47Å; M689-L1010 HydrophobicContact SD-CD2 3.99Å; D1006-L1010 PolarHBondContact O-N 2.86Å; D1006-L1010 VanDerWaalsContact O-N 3.12Å; L1007-L1010 WeakPolarHBondContact O-CB 3.49Å; L1007-L1010 PolarHBondContact O-N 3.41Å; E1008-L1010 VanDerWaalsContact C-N 3.27Å; E1008-L1010 PolarHBondContact O-N 3.03Å; L1010-L1012 PolarHBondContact O-N 3.2Å; L1010-Q1013 PolarHBondContact O-N 3.44Å; L1010-M1014 HydrophobicContact CD2-CE 4.28Å; L1010-M1014 HydrophobicContact CG-CE 4.06Å; L1010-M1014 WeakPolarHBondContact O-CG 3.35Å; L1010-M1014 PolarHBondContact O-N 3.38Å; L1010-L1027 HydrophobicContact CD1-CB 4.35Å; L1010-L1027 HydrophobicContact CD1-CD1 4.26Å |
| 1011 | Y | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.5 | -40.4 | 174 | -72 | -32.5 | 0 | 0 | 0 | 113 | I548 Y550 F576 I625 V627 I668 L1007 E1008 Q1013 M1014 W1015 | I548-Y1011 HydrophobicContact CD1-CD1 4.43Å; I548-Y1011 HydrophobicContact CD1-CD2 3.79Å; I548-Y1011 HydrophobicContact CD1-CE2 4.27Å; I548-Y1011 HydrophobicContact CD1-CG 3.9Å; I548-Y1011 HydrophobicContact CG1-CD2 4.06Å; I548-Y1011 HydrophobicContact CG1-CE2 4.28Å; I548-Y1011 HydrophobicContact CG2-CE2 3.95Å; Y550-Y1011 WeakPolarHBondContact CE1-OH 3.46Å; Y550-Y1011 WeakPolarHBondContact OH-CE2 3.45Å; Y550-Y1011 PolarHBondContact OH-OH 3.42Å; F576-Y1011 HydrophobicContact CE1-CD2 4.48Å; I625-Y1011 HydrophobicContact CD1-CD1 3.76Å; I625-Y1011 HydrophobicContact CD1-CG 4.04Å; I625-Y1011 WeakPolarHBondContact CD1-O 3.47Å; I625-Y1011 HydrophobicContact CG2-CD1 4.14Å; I625-Y1011 HydrophobicContact CG2-CE1 4.15Å; V627-Y1011 HydrophobicContact CG2-CE1 4.18Å; V627-Y1011 WeakPolarHBondContact CG2-OH 3.27Å; I668-Y1011 HydrophobicContact CD1-CE1 3.73Å; L1007-Y1011 HydrophobicContact CD1-CE1 4.18Å; L1007-Y1011 HydrophobicContact CD1-CE2 4.1Å; L1007-Y1011 HydrophobicContact CD2-CE2 3.81Å; L1007-Y1011 HydrophobicContact CG-CD2 4.14Å; L1007-Y1011 HydrophobicContact CG-CE1 4.49Å; L1007-Y1011 HydrophobicContact CG-CE2 3.53Å; L1007-Y1011 WeakPolarHBondContact O-CD2 3.46Å; L1007-Y1011 PolarHBondContact O-N 3Å; E1008-Y1011 PolarHBondContact O-N 3.23Å; Y1011-Q1013 VanDerWaalsContact C-N 3.34Å; Y1011-Q1013 PolarHBondContact O-N 3.04Å; Y1011-M1014 HydrophobicContact CD1-SD 4.08Å; Y1011-M1014 PolarHBondContact O-N 3.1Å; Y1011-W1015 WeakPolarHBondContact O-CB 3.33Å; Y1011-W1015 PolarHBondContact O-N 3.1Å |
| 1012 | L | 98.5 | Very high | 97.7 | Very high | 51 Ų | 51 | 40.6 Ų | 40.6 | 27% | 0.267 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62 | -42.9 | 174.4 | -70 | 167.4 | 0 | 0 | 0 | 111.3 | F576 E1008 R1009 L1010 M1014 W1015 E1016 | F576-L1012 HydrophobicContact CE1-CG 4.45Å; F576-L1012 HydrophobicContact CZ-CD1 4.07Å; F576-L1012 HydrophobicContact CZ-CD2 4.22Å; F576-L1012 HydrophobicContact CZ-CG 3.86Å; E1008-L1012 WeakPolarHBondContact O-CG 3.37Å; E1008-L1012 PolarHBondContact O-N 3.07Å; R1009-L1012 PolarHBondContact O-N 3.07Å; L1010-L1012 PolarHBondContact O-N 3.2Å; L1012-M1014 PolarHBondContact O-N 3.23Å; L1012-W1015 PolarHBondContact O-N 3.35Å; L1012-E1016 WeakPolarHBondContact O-CB 3.33Å; L1012-E1016 WeakPolarHBondContact O-CG 3.48Å; L1012-E1016 PolarHBondContact O-N 2.83Å |
| 1013 | Q | 97.9 | Very high | 97.6 | Very high | 21 Ų | 21 | 46 Ų | 46 | 10% | 0.098 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.4 | -43.4 | 175.7 | -70.8 | 174.5 | -5.8 | 0 | 0 | 112.5 | R1009 L1010 Y1011 W1015 H1017 L1027 | R1009-Q1013 WeakPolarHBondContact O-CG 3.4Å; R1009-Q1013 PolarHBondContact O-N 3.05Å; R1009-Q1013 VanDerWaalsContact O-N 3.1Å; L1010-Q1013 PolarHBondContact O-N 3.44Å; Y1011-Q1013 VanDerWaalsContact C-N 3.34Å; Y1011-Q1013 PolarHBondContact O-N 3.04Å; Q1013-W1015 VanDerWaalsContact C-N 3.33Å; Q1013-W1015 PolarHBondContact O-N 3.11Å; Q1013-H1017 WeakPolarHBondContact O-CB 3.47Å; Q1013-H1017 PolarHBondContact O-N 3.26Å; Q1013-L1027 HydrophobicContact CB-CD1 4.19Å |
| 1014 | M | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.8 | -44.8 | 174.9 | -69.6 | 175.5 | 178 | 0 | 0 | 111.6 | I625 V648 A650 Y666 I668 A687 L1010 Y1011 L1012 Y1018 L1027 | I625-M1014 HydrophobicContact CD1-CB 4.06Å; I625-M1014 HydrophobicContact CD1-SD 4.38Å; V648-M1014 HydrophobicContact CG1-CB 4.37Å; V648-M1014 HydrophobicContact CG1-SD 4.5Å; A650-M1014 HydrophobicContact CB-CE 4.48Å; Y666-M1014 HydrophobicContact CD1-CE 4.26Å; Y666-M1014 HydrophobicContact CD2-CE 4.29Å; Y666-M1014 HydrophobicContact CD2-CG 4.15Å; Y666-M1014 HydrophobicContact CD2-SD 4.17Å; Y666-M1014 HydrophobicContact CE2-CB 4.39Å; Y666-M1014 HydrophobicContact CE2-CG 4.1Å; Y666-M1014 HydrophobicContact CG-CE 3.87Å; Y666-M1014 HydrophobicContact CG-CG 4.46Å; Y666-M1014 HydrophobicContact CG-SD 4.36Å; I668-M1014 HydrophobicContact CD1-CE 4.23Å; I668-M1014 HydrophobicContact CG1-CE 3.86Å; A687-M1014 HydrophobicContact CB-CE 3.33Å; L1010-M1014 HydrophobicContact CD2-CE 4.28Å; L1010-M1014 HydrophobicContact CG-CE 4.06Å; L1010-M1014 WeakPolarHBondContact O-CG 3.35Å; L1010-M1014 PolarHBondContact O-N 3.38Å; Y1011-M1014 HydrophobicContact CD1-SD 4.08Å; Y1011-M1014 PolarHBondContact O-N 3.1Å; L1012-M1014 PolarHBondContact O-N 3.23Å; M1014-Y1018 PolarHBondContact O-N 3.1Å; M1014-Y1018 VanDerWaalsContact O-N 3.13Å; M1014-L1027 HydrophobicContact CB-CD1 4.47Å; M1014-L1027 HydrophobicContact CG-CD1 3.65Å |
| 1015 | W | 98.3 | Very high | 97.5 | Very high | 13 Ų | 13 | 51.5 Ų | 51.5 | 5% | 0.049 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.8 | -44.3 | -179.9 | 175.4 | -107.8 | 0 | 0 | 0 | 112.9 | L539 L546 H624 P647 Y1011 L1012 Q1013 H1017 Y1018 S1019 | L539-W1015 HydrophobicContact CD2-CD2 4.26Å; L539-W1015 HydrophobicContact CD2-CH2 4.39Å; L539-W1015 HydrophobicContact CD2-CZ2 3.58Å; L539-W1015 HydrophobicContact CG-CZ2 4.07Å; L546-W1015 HydrophobicContact CD1-CB 3.83Å; L546-W1015 HydrophobicContact CD1-CD2 3.64Å; L546-W1015 HydrophobicContact CD1-CE3 4.01Å; L546-W1015 HydrophobicContact CD1-CG 3.53Å; L546-W1015 HydrophobicContact CD2-CB 4.01Å; L546-W1015 HydrophobicContact CD2-CG 4.48Å; H624-W1015 HydrophobicContact CB-CE3 3.99Å; H624-W1015 HydrophobicContact CB-CZ3 3.98Å; H624-W1015 AromaticContact CD2-CH2 3.57Å; H624-W1015 AromaticContact CD2-CZ3 3.69Å; P647-W1015 HydrophobicContact CG-CZ3 4.22Å; Y1011-W1015 WeakPolarHBondContact O-CB 3.33Å; Y1011-W1015 PolarHBondContact O-N 3.1Å; L1012-W1015 PolarHBondContact O-N 3.35Å; Q1013-W1015 VanDerWaalsContact C-N 3.33Å; Q1013-W1015 PolarHBondContact O-N 3.11Å; W1015-H1017 VanDerWaalsContact C-N 3.28Å; W1015-H1017 PolarHBondContact O-N 3.35Å; W1015-Y1018 AromaticContact CE3-CD1 3.9Å; W1015-Y1018 HydrophobicContact CE3-CD1 3.9Å; W1015-Y1018 HydrophobicContact CH2-CD1 4.13Å; W1015-Y1018 HydrophobicContact CH2-CE1 4.19Å; W1015-Y1018 AromaticContact CZ3-CD1 3.5Å; W1015-Y1018 HydrophobicContact CZ3-CD1 3.5Å; W1015-Y1018 VanDerWaalsContact CZ3-CD1 3.5Å; W1015-Y1018 AromaticContact CZ3-CE1 3.79Å; W1015-Y1018 HydrophobicContact CZ3-CE1 3.79Å; W1015-Y1018 PolarHBondContact O-N 3.17Å; W1015-S1019 WeakPolarHBondContact O-CB 3.49Å; W1015-S1019 PolarHBondContact O-N 3.29Å; W1015-S1019 PolarHBondContact O-OG 3.17Å |
| 1016 | E | 96.8 | Very high | 97.4 | Very high | 87 Ų | 87 | 51.6 Ų | 51.6 | 41% | 0.407 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.5 | -41.4 | 175.4 | -76.6 | 172.8 | -171 | 0 | 0 | 110.9 | L1012 S1019 N1020 | L1012-E1016 WeakPolarHBondContact O-CB 3.33Å; L1012-E1016 WeakPolarHBondContact O-CG 3.48Å; L1012-E1016 PolarHBondContact O-N 2.83Å; E1016-S1019 WeakPolarHBondContact CA-OG 3.28Å; E1016-S1019 PolarHBondContact O-OG 3.25Å; E1016-N1020 WeakPolarHBondContact O-CB 3.16Å; E1016-N1020 PolarHBondContact O-N 3.16Å; E1016-N1020 VanDerWaalsContact O-N 3.15Å; E1016-N1020 PolarHBondContact O-ND2 3.34Å |
| 1017 | H | 96 | Very high | 97.4 | Very high | 50 Ų | 50 | 52.3 Ų | 52.3 | 23% | 0.231 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.1 | -47.9 | 175.8 | -158.4 | -103.1 | 0 | 0 | 0 | 112.1 | Q1013 W1015 S1022 K1023 | Q1013-H1017 WeakPolarHBondContact O-CB 3.47Å; Q1013-H1017 PolarHBondContact O-N 3.26Å; W1015-H1017 VanDerWaalsContact C-N 3.28Å; W1015-H1017 PolarHBondContact O-N 3.35Å; H1017-S1022 WeakPolarHBondContact CE1-CB 3.11Å; H1017-S1022 WeakPolarHBondContact ND1-CB 3.13Å; H1017-S1022 VanDerWaalsContact O-CB 3.31Å; H1017-S1022 WeakPolarHBondContact O-CB 3.44Å; H1017-S1022 PolarHBondContact O-N 3.19Å; H1017-K1023 PolarHBondContact CE1-O 3.47Å; H1017-K1023 PolarHBondContact ND1-O 3.14Å |
| 1018 | Y | 97.2 | Very high | 97 | Very high | 61 Ų | 61 | 54.5 Ų | 54.5 | 24% | 0.239 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.5 | -47.3 | 179.3 | 170.9 | -94.7 | 0 | 0 | 0 | 112.8 | H535 P536 P647 V648 M1014 W1015 N1020 G1021 | H535-Y1018 WeakPolarHBondContact CB-OH 3.46Å; P536-Y1018 WeakPolarHBondContact O-CE1 3.42Å; P647-Y1018 HydrophobicContact CB-CD1 4.15Å; P647-Y1018 HydrophobicContact CB-CD2 4.1Å; P647-Y1018 HydrophobicContact CB-CE1 3.57Å; P647-Y1018 HydrophobicContact CB-CE2 3.5Å; P647-Y1018 HydrophobicContact CB-CG 4.39Å; P647-Y1018 WeakPolarHBondContact CB-OH 3.34Å; P647-Y1018 HydrophobicContact CG-CE1 4.02Å; V648-Y1018 HydrophobicContact CG2-CD2 4.22Å; V648-Y1018 HydrophobicContact CG2-CG 3.95Å; M1014-Y1018 PolarHBondContact O-N 3.1Å; M1014-Y1018 VanDerWaalsContact O-N 3.13Å; W1015-Y1018 AromaticContact CE3-CD1 3.9Å; W1015-Y1018 HydrophobicContact CE3-CD1 3.9Å; W1015-Y1018 HydrophobicContact CH2-CD1 4.13Å; W1015-Y1018 HydrophobicContact CH2-CE1 4.19Å; W1015-Y1018 AromaticContact CZ3-CD1 3.5Å; W1015-Y1018 HydrophobicContact CZ3-CD1 3.5Å; W1015-Y1018 VanDerWaalsContact CZ3-CD1 3.5Å; W1015-Y1018 AromaticContact CZ3-CE1 3.79Å; W1015-Y1018 HydrophobicContact CZ3-CE1 3.79Å; W1015-Y1018 PolarHBondContact O-N 3.17Å; Y1018-N1020 PolarHBondContact O-N 2.96Å; Y1018-G1021 WeakPolarHBondContact O-CA 3.06Å; Y1018-G1021 PolarHBondContact O-N 3.2Å |
| 1019 | S | 95.9 | Very high | 96 | Very high | 46 Ų | 46 | 62 Ų | 62 | 32% | 0.322 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.4 | -24.1 | -177.1 | 55.4 | 0 | 0 | 0 | 0 | 112.9 | W1015 E1016 G1021 | W1015-S1019 WeakPolarHBondContact O-CB 3.49Å; W1015-S1019 PolarHBondContact O-N 3.29Å; W1015-S1019 PolarHBondContact O-OG 3.17Å; E1016-S1019 WeakPolarHBondContact CA-OG 3.28Å; E1016-S1019 PolarHBondContact O-OG 3.25Å; S1019-G1021 PolarHBondContact O-N 2.75Å |
| 1020 | N | 96.1 | Very high | 94.3 | Very high | 131 Ų | 131 | 62.7 Ų | 62.7 | 70% | 0.701 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | 0.8 | 168.7 | -72.3 | -31.7 | 0 | 0 | 0 | 114 | E1016 Y1018 | E1016-N1020 WeakPolarHBondContact O-CB 3.16Å; E1016-N1020 PolarHBondContact O-N 3.16Å; E1016-N1020 VanDerWaalsContact O-N 3.15Å; E1016-N1020 PolarHBondContact O-ND2 3.34Å; Y1018-N1020 PolarHBondContact O-N 2.96Å |
| 1021 | G | 94.2 | Very high | 92 | Very high | 69 Ų | 69 | 68.8 Ų | 68.8 | 71% | 0.711 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | 9.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y1018 S1019 | Y1018-G1021 WeakPolarHBondContact O-CA 3.06Å; Y1018-G1021 PolarHBondContact O-N 3.2Å; S1019-G1021 PolarHBondContact O-N 2.75Å |
| 1022 | S | 95.8 | Very high | 89.1 | Confident | 53 Ų | 53 | 75.2 Ų | 75.2 | 37% | 0.371 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -81.6 | 144.9 | 179.4 | -60.3 | 0 | 0 | 0 | 0 | 111.7 | H1017 | H1017-S1022 WeakPolarHBondContact CE1-CB 3.11Å; H1017-S1022 WeakPolarHBondContact ND1-CB 3.13Å; H1017-S1022 VanDerWaalsContact O-CB 3.31Å; H1017-S1022 WeakPolarHBondContact O-CB 3.44Å; H1017-S1022 PolarHBondContact O-N 3.19Å |
| 1023 | K | 96.1 | Very high | 86.2 | Confident | 182 Ų | 182 | 76.9 Ų | 76.9 | 79% | 0.791 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -70.9 | 155.7 | 169.4 | -67.7 | -175.7 | 178.8 | -178 | 0 | 110.5 | H1017 D1025 | H1017-K1023 PolarHBondContact CE1-O 3.47Å; H1017-K1023 PolarHBondContact ND1-O 3.14Å; K1023-D1025 PolarHBondContact O-N 3.4Å |
| 1024 | P | 97.7 | Very high | 83 | Confident | 49 Ų | 49 | 84.1 Ų | 84.1 | 32% | 0.318 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -52.4 | 132.6 | 176.1 | -26.7 | 34.6 | 0 | 0 | 0 | 113.2 | D665 Y666 K685 | D665-P1024 HydrophobicContact CB-CB 4.02Å; D665-P1024 HydrophobicContact CB-CG 3.63Å; Y666-P1024 HydrophobicContact CE1-CB 4.42Å; Y666-P1024 HydrophobicContact CE2-CB 3.92Å; Y666-P1024 HydrophobicContact CE2-CG 4.36Å; Y666-P1024 WeakPolarHBondContact OH-CA 3.21Å; K685-P1024 WeakPolarHBondContact CE-O 3.47Å; K685-P1024 HydrophobicContact CG-CB 4.07Å |
| 1025 | D | 97.6 | Very high | 79.9 | Confident | 79 Ų | 79 | 90.4 Ų | 90.4 | 42% | 0.422 | 48% | 0.482 | S | S | . | . | trans | -141.7 | 165.3 | 172.4 | -160.8 | 17.7 | 0 | 0 | 0 | 112 | Y666 K685 K1023 L1027 | Y666-D1025 VanDerWaalsContact CE1-O 3.26Å; Y666-D1025 WeakPolarHBondContact CE1-O 3.46Å; K685-D1025 IonicContact NZ-OD1 3.88Å; K685-D1025 PolarHBondContact NZ-OD1 3.4Å; K1023-D1025 PolarHBondContact O-N 3.4Å; D1025-L1027 PolarHBondContact O-N 3.05Å | ||
| 1026 | H | 98 | Very high | 76.6 | Confident | 65 Ų | 65 | 94.5 Ų | 94.5 | 30% | 0.301 | 51% | 0.513 | S | S | . | . | trans | -58.6 | 123.4 | -174.7 | -63.9 | -78.1 | 0 | 0 | 0 | 112.8 | L686 V1028 | L686-H1026 PolarHBondContact N-ND1 3.36Å; H1026-V1028 HydrophobicContact CB-CG1 4.1Å; H1026-V1028 PolarHBondContact O-N 3Å | ||
| 1027 | L | 96.9 | Very high | 73.5 | Confident | 27 Ų | 27 | 99.2 Ų | 99.2 | 14% | 0.141 | 54% | 0.535 | C | S | . | . | B | Isolated β-bridge | trans | -102.1 | 72.7 | 175.6 | -56 | 179.6 | 0 | 0 | 0 | 109.7 | Y666 L686 A687 Y688 L1010 Q1013 M1014 D1025 | Y666-L1027 HydrophobicContact CE1-CD1 3.9Å; Y666-L1027 HydrophobicContact CE1-CG 3.94Å; L686-L1027 PolarHBondContact O-N 3.35Å; A687-L1027 HydrophobicContact CB-CB 4.5Å; Y688-L1027 PolarHBondContact N-O 3.14Å; L1010-L1027 HydrophobicContact CD1-CB 4.35Å; L1010-L1027 HydrophobicContact CD1-CD1 4.26Å; Q1013-L1027 HydrophobicContact CB-CD1 4.19Å; M1014-L1027 HydrophobicContact CB-CD1 4.47Å; M1014-L1027 HydrophobicContact CG-CD1 3.65Å; D1025-L1027 PolarHBondContact O-N 3.05Å |
| 1028 | V | 90.9 | Very high | 70.5 | Confident | 46 Ų | 46 | 102.8 Ų | 102.8 | 28% | 0.279 | 56% | 0.56 | S | S | . | * | trans | -109.5 | -7.3 | -172.9 | -61.4 | 0 | 0 | 0 | 0 | 114.1 | V676 L686 Y688 H1026 | V676-V1028 HydrophobicContact CG2-CB 4.45Å; V676-V1028 HydrophobicContact CG2-CG1 4.19Å; L686-V1028 HydrophobicContact CB-CG1 4.21Å; Y688-V1028 HydrophobicContact CD1-CG1 4.24Å; Y688-V1028 HydrophobicContact CD2-CB 3.78Å; Y688-V1028 HydrophobicContact CD2-CG1 3.85Å; Y688-V1028 HydrophobicContact CE1-CG1 3.98Å; Y688-V1028 HydrophobicContact CE2-CB 3.67Å; Y688-V1028 HydrophobicContact CE2-CG1 3.56Å; Y688-V1028 HydrophobicContact CG-CB 4.43Å; Y688-V1028 HydrophobicContact CG-CG1 4.17Å; H1026-V1028 HydrophobicContact CB-CG1 4.1Å; H1026-V1028 PolarHBondContact O-N 3Å | ||
| 1029 | K | 77.6 | Confident | 67.2 | Low | 173 Ų | 173 | 108.4 Ų | 108.4 | 75% | 0.752 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -103.1 | 124.6 | 176.8 | -66.2 | -178.1 | -178.4 | 177.1 | 0 | 109.1 | Q1031 | K1029-Q1031 PolarHBondContact O-N 3.22Š|
| 1030 | H | 62.9 | Low | 65.8 | Low | 110 Ų | 110 | 111.5 Ų | 111.5 | 51% | 0.509 | 63% | 0.634 | S | S | . | * | trans | -71 | 97.6 | 168.8 | -65.3 | -52.6 | 0 | 0 | 0 | 109.2 | P690 T1032 | P690-H1030 WeakPolarHBondContact CA-CE1 3.42Å; P690-H1030 WeakPolarHBondContact CA-NE2 3.4Å; H1030-T1032 PolarHBondContact O-N 3Å | ||
| 1031 | Q | 49.7 | Very low | 64.2 | Low | 131 Ų | 131 | 110.5 Ų | 110.5 | 61% | 0.612 | 63% | 0.631 | S | S | * | * | trans | -72.1 | 117.7 | 164.1 | -69.4 | -178.7 | -9 | 0 | 0 | 107.6 | K1029 V1033 | K1029-Q1031 PolarHBondContact O-N 3.22Å; Q1031-V1033 PolarHBondContact O-N 2.89Å | ||
| 1032 | T | 38.9 | Very low | 62.5 | Low | 135 Ų | 135 | 112.8 Ų | 112.8 | 83% | 0.828 | 63% | 0.626 | S | S | * | * | trans | -61.7 | 103.7 | 158.1 | 34.7 | 0 | 0 | 0 | 0 | 106.4 | H1030 E1034 | H1030-T1032 PolarHBondContact O-N 3Å; T1032-E1034 VanDerWaalsContact C-N 3.32Å; T1032-E1034 PolarHBondContact O-N 3.22Å | ||
| 1033 | V | 37.2 | Very low | 60.6 | Low | 86 Ų | 86 | 116.3 Ų | 116.3 | 52% | 0.521 | 64% | 0.641 | S | S | . | * | trans | -63.8 | 100.9 | 169 | -179 | 0 | 0 | 0 | 0 | 105.7 | Q1031 T1035 | Q1031-V1033 PolarHBondContact O-N 2.89Å; V1033-T1035 PolarHBondContact O-N 3.25Å | ||
| 1034 | E | 32 | Very low | 58.3 | Low | 173 Ų | 173 | 112.2 Ų | 112.2 | 81% | 0.808 | 63% | 0.632 | S | S | * | * | trans | -55.1 | 123.4 | 160.6 | -79.3 | -177.4 | 163 | 0 | 0 | 106.3 | T1032 S1036 | T1032-E1034 VanDerWaalsContact C-N 3.32Å; T1032-E1034 PolarHBondContact O-N 3.22Å; E1034-S1036 PolarHBondContact O-N 3.07Å | ||
| 1035 | T | 32.7 | Very low | 55.7 | Low | 133 Ų | 133 | 116.4 Ų | 116.4 | 82% | 0.816 | 65% | 0.653 | S | S | * | * | trans | -54.3 | 91.8 | 168.1 | 41.2 | 0 | 0 | 0 | 0 | 108.6 | V1033 E1037 | V1033-T1035 PolarHBondContact O-N 3.25Å; T1035-E1037 VanDerWaalsContact C-N 3.3Å; T1035-E1037 PolarHBondContact O-N 3.1Å; T1035-E1037 VanDerWaalsContact O-N 3.12Å | ||
| 1036 | S | 29.4 | Very low | 52.7 | Low | 98 Ų | 98 | 119.1 Ų | 119.1 | 69% | 0.685 | 67% | 0.669 | S | S | * | * | trans | -78.2 | 90.8 | 163.2 | 55.5 | 0 | 0 | 0 | 0 | 107 | E1034 T1038 | E1034-S1036 PolarHBondContact O-N 3.07Å; S1036-T1038 PolarHBondContact O-N 2.69Å | ||
| 1037 | E | 30.7 | Very low | 49.2 | Very low | 186 Ų | 186 | 123.2 Ų | 123.2 | 87% | 0.869 | 70% | 0.698 | S | S | * | * | trans | -66.1 | 67.2 | 157.1 | -71.7 | -175.9 | 155 | 0 | 0 | 109 | T1035 | T1035-E1037 VanDerWaalsContact C-N 3.3Å; T1035-E1037 PolarHBondContact O-N 3.1Å; T1035-E1037 VanDerWaalsContact O-N 3.12Å | ||
| 1038 | T | 32.2 | Very low | 45.3 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 77% | 0.767 | 74% | 0.744 | S | S | * | * | trans | -167 | 90.9 | 161.5 | 43.8 | 0 | 0 | 0 | 0 | 110.2 | S1036 | S1036-T1038 PolarHBondContact O-N 2.69Š| ||
| 1039 | A | 29.2 | Very low | 41.1 | Very low | 179 Ų | 179 | 139 Ų | 139 | 100% | 1.479 | 79% | 0.786 | S | S | * | * | trans | -164.4 | 0 | 144.4 | 0 | 0 | 0 | 0 | 0 | 109.7 |
Retrieved 1,039 of 1,039 residues in 1101.9 ms
(Link to these results)