| 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 | 41.6 | Very low | 35.1 | Very low | 217 Ų | 217 | 125.6 Ų | 125.6 | 100% | 1.069 | 63% | 0.629 | S | S | * | * | 0 | 127.5 | 0 | -96 | 177 | 163.4 | 0 | 0 | 109.2 | |||||
| 2 | S | 32.1 | Very low | 35.1 | Very low | 69 Ų | 69 | 120.3 Ų | 120.3 | 48% | 0.483 | 61% | 0.613 | S | S | . | * | trans | -72.9 | 136.5 | -180 | -179.4 | 0 | 0 | 0 | 0 | 110.7 | K4 D5 | S2-K4 PolarHBondContact O-N 3.23Å; S2-D5 PolarHBondContact O-N 3.04Å | ||
| 3 | T | 33.3 | Very low | 35 | Very low | 119 Ų | 119 | 126.9 Ų | 126.9 | 73% | 0.73 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -53.4 | -16.6 | 177.4 | 26.1 | 0 | 0 | 0 | 0 | 114.2 | V7 | T3-V7 WeakPolarHBondContact O-CG2 3.4Å |
| 4 | K | 33.8 | Very low | 35 | Very low | 167 Ų | 167 | 129.8 Ų | 129.8 | 73% | 0.726 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -73.1 | -26 | 174.5 | -72.8 | -176.1 | 176.1 | 178.6 | 0 | 114.2 | S2 K8 | S2-K4 PolarHBondContact O-N 3.23Å; K4-K8 PolarHBondContact O-N 2.91Å |
| 5 | D | 38.1 | Very low | 34.7 | Very low | 96 Ų | 96 | 131.1 Ų | 131.1 | 51% | 0.513 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -80.6 | -29.5 | -179.9 | -69.4 | -38.3 | 0 | 0 | 0 | 112.7 | S2 K9 | S2-D5 PolarHBondContact O-N 3.04Å; D5-K9 PolarHBondContact O-N 3.04Å; D5-K9 VanDerWaalsContact O-N 3.09Å |
| 6 | V | 37.8 | Very low | 34.6 | Very low | 74 Ų | 74 | 127.6 Ų | 127.6 | 45% | 0.448 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -69.6 | -36.2 | 176 | -177.9 | 0 | 0 | 0 | 0 | 111.1 | R10 | V6-R10 PolarHBondContact O-N 2.83Å |
| 7 | V | 32.9 | Very low | 34.2 | Very low | 90 Ų | 90 | 130.8 Ų | 130.8 | 55% | 0.545 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -72.5 | -39 | 178 | 179.1 | 0 | 0 | 0 | 0 | 111.4 | T3 R10 V11 | T3-V7 WeakPolarHBondContact O-CG2 3.4Å; V7-R10 PolarHBondContact O-N 2.81Å; V7-V11 HydrophobicContact CG1-CG2 4.44Å; V7-V11 VanDerWaalsContact O-CG2 3.3Å; V7-V11 WeakPolarHBondContact O-CG2 3.43Å; V7-V11 PolarHBondContact O-N 3.49Å |
| 8 | K | 37.1 | Very low | 34.4 | Very low | 160 Ų | 160 | 128.3 Ų | 128.3 | 70% | 0.696 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -64 | -41.2 | 172.7 | -82.9 | -176.9 | 177.1 | 178.1 | 0 | 112.4 | K4 V11 S12 | K4-K8 PolarHBondContact O-N 2.91Å; K8-V11 PolarHBondContact O-N 3.05Å; K8-S12 PolarHBondContact O-N 3.22Å |
| 9 | K | 35.8 | Very low | 34.4 | Very low | 142 Ų | 142 | 127.7 Ų | 127.7 | 62% | 0.617 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -61.5 | -43.3 | 172.7 | -90.4 | -176.2 | 173.7 | -178.1 | 0 | 111.9 | D5 S12 R13 | D5-K9 PolarHBondContact O-N 3.04Å; D5-K9 VanDerWaalsContact O-N 3.09Å; K9-S12 PolarHBondContact O-N 2.93Å; K9-S12 PolarHBondContact O-OG 2.72Å; K9-R13 PolarHBondContact O-N 2.91Å |
| 10 | R | 33.2 | Very low | 34.8 | Very low | 180 Ų | 180 | 125.8 Ų | 125.8 | 68% | 0.679 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.3 | -39.9 | 176.3 | -90.3 | -179.3 | 165.5 | 165.2 | -3.3 | 113.4 | V6 V7 S12 R13 F14 | V6-R10 PolarHBondContact O-N 2.83Å; V7-R10 PolarHBondContact O-N 2.81Å; R10-S12 VanDerWaalsContact C-N 3.35Å; R10-R13 PolarHBondContact O-N 3.03Å; R10-F14 PolarHBondContact O-N 3.08Å |
| 11 | V | 30.9 | Very low | 35 | Very low | 68 Ų | 68 | 125.3 Ų | 125.3 | 41% | 0.412 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -70.1 | -30.8 | 177.5 | 174.6 | 0 | 0 | 0 | 0 | 112 | V7 K8 F14 K15 | V7-V11 HydrophobicContact CG1-CG2 4.44Å; V7-V11 VanDerWaalsContact O-CG2 3.3Å; V7-V11 WeakPolarHBondContact O-CG2 3.43Å; V7-V11 PolarHBondContact O-N 3.49Å; K8-V11 PolarHBondContact O-N 3.05Å; V11-F14 PolarHBondContact O-N 2.71Å; V11-K15 HydrophobicContact CG1-CD 4.14Å; V11-K15 HydrophobicContact CG1-CG 4.44Å; V11-K15 WeakPolarHBondContact O-CG 3.4Å; V11-K15 PolarHBondContact O-N 3.21Å; V11-K15 VanDerWaalsContact O-N 3.14Å |
| 12 | S | 34.3 | Very low | 34.9 | Very low | 62 Ų | 62 | 117.3 Ų | 117.3 | 43% | 0.434 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -68.2 | -34.8 | 173.7 | 78.9 | 0 | 0 | 0 | 0 | 113.3 | K8 K9 R10 F14 N16 | K8-S12 PolarHBondContact O-N 3.22Å; K9-S12 PolarHBondContact O-N 2.93Å; K9-S12 PolarHBondContact O-OG 2.72Å; R10-S12 VanDerWaalsContact C-N 3.35Å; S12-F14 VanDerWaalsContact C-N 3.33Å; S12-F14 PolarHBondContact O-N 3.15Å; S12-N16 PolarHBondContact O-ND2 3.23Å |
| 13 | R | 34.5 | Very low | 35.4 | Very low | 206 Ų | 206 | 120.6 Ų | 120.6 | 78% | 0.777 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69.4 | -29.2 | 175.7 | -73.3 | -175.2 | -172.9 | 176.8 | 1.1 | 112.5 | K9 R10 | K9-R13 PolarHBondContact O-N 2.91Å; R10-R13 PolarHBondContact O-N 3.03Å |
| 14 | F | 34 | Very low | 35.5 | Very low | 167 Ų | 167 | 117.6 Ų | 117.6 | 73% | 0.732 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -84.7 | -27.9 | 177.5 | -95.1 | -91.9 | 0 | 0 | 0 | 114.2 | R10 V11 S12 N16 | R10-F14 PolarHBondContact O-N 3.08Å; V11-F14 PolarHBondContact O-N 2.71Å; S12-F14 VanDerWaalsContact C-N 3.33Å; S12-F14 PolarHBondContact O-N 3.15Å; F14-N16 VanDerWaalsContact C-N 3.29Å; F14-N16 PolarHBondContact O-N 3.49Å |
| 15 | K | 30.7 | Very low | 36.2 | Very low | 150 Ų | 150 | 114.7 Ų | 114.7 | 65% | 0.652 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -3.4 | -179.4 | -77.5 | -175 | 175.6 | -175.6 | 0 | 115.5 | V11 | V11-K15 HydrophobicContact CG1-CD 4.14Å; V11-K15 HydrophobicContact CG1-CG 4.44Å; V11-K15 WeakPolarHBondContact O-CG 3.4Å; V11-K15 PolarHBondContact O-N 3.21Å; V11-K15 VanDerWaalsContact O-N 3.14Å |
| 16 | N | 32.7 | Very low | 36.7 | Very low | 74 Ų | 74 | 115.9 Ų | 115.9 | 40% | 0.396 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.3 | 2.6 | -179.9 | -67.8 | -19.8 | 0 | 0 | 0 | 113.4 | S12 F14 G18 K19 L24 | S12-N16 PolarHBondContact O-ND2 3.23Å; F14-N16 VanDerWaalsContact C-N 3.29Å; F14-N16 PolarHBondContact O-N 3.49Å; N16-G18 PolarHBondContact O-N 3.38Å; N16-G18 VanDerWaalsContact O-N 3.12Å; N16-K19 PolarHBondContact O-N 2.97Å; N16-L24 HydrophobicContact CB-CD1 4.44Å |
| 17 | K | 29.2 | Very low | 37 | Very low | 183 Ų | 183 | 118.4 Ų | 118.4 | 80% | 0.796 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 108.3 | 172.6 | -135.5 | -179.7 | -176.5 | -176.1 | 0 | 108.3 | ||
| 18 | G | 37.1 | Very low | 37.9 | Very low | 86 Ų | 86 | 121.6 Ų | 121.6 | 89% | 0.887 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 100.2 | 5.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | N16 | N16-G18 PolarHBondContact O-N 3.38Å; N16-G18 VanDerWaalsContact O-N 3.12Å |
| 19 | K | 33.6 | Very low | 38.5 | Very low | 116 Ų | 116 | 115.1 Ų | 115.1 | 50% | 0.504 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -91.1 | 133.9 | 167.8 | -71.2 | -178 | -178 | 172.6 | 0 | 109.6 | N16 L21 L24 | N16-K19 PolarHBondContact O-N 2.97Å; K19-L21 PolarHBondContact O-N 3.01Å; K19-L21 VanDerWaalsContact O-N 3.07Å; K19-L24 HydrophobicContact CB-CD1 3.79Å; K19-L24 HydrophobicContact CB-CG 4.34Å; K19-L24 HydrophobicContact CD-CD1 4.47Å; K19-L24 HydrophobicContact CD-CD2 4.5Å |
| 20 | D | 43.6 | Very low | 39.3 | Very low | 90 Ų | 90 | 111.6 Ų | 111.6 | 48% | 0.481 | 54% | 0.542 | S | S | . | . | trans | -54.6 | 114.2 | 176.4 | -175.1 | -3.2 | 0 | 0 | 0 | 110 | A22 K23 L24 | D20-A22 PolarHBondContact O-N 2.76Å; D20-A22 WeakPolarHBondContact OD1-CB 3.17Å; D20-A22 PolarHBondContact OD1-N 3.35Å; D20-K23 HydrophobicContact CB-CB 4.22Å; D20-K23 HydrophobicContact CB-CD 4.16Å; D20-K23 HydrophobicContact CB-CG 4.05Å; D20-K23 PolarHBondContact O-N 2.94Å; D20-K23 VanDerWaalsContact O-N 3.09Å; D20-L24 PolarHBondContact O-N 2.97Å; D20-L24 VanDerWaalsContact O-N 3.15Å | ||
| 21 | L | 38.4 | Very low | 40.1 | Very low | 116 Ų | 116 | 107.8 Ų | 107.8 | 61% | 0.607 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61 | -27.6 | -178.5 | -71.8 | 167.9 | 0 | 0 | 0 | 111 | K19 R25 | K19-L21 PolarHBondContact O-N 3.01Å; K19-L21 VanDerWaalsContact O-N 3.07Å; L21-R25 WeakPolarHBondContact O-CB 3.3Å; L21-R25 WeakPolarHBondContact O-CD 3.4Å; L21-R25 WeakPolarHBondContact O-CG 3.39Å; L21-R25 PolarHBondContact O-N 3.41Å; L21-R25 VanDerWaalsContact O-N 3.09Å |
| 22 | A | 40.7 | Very low | 41.2 | Very low | 48 Ų | 48 | 105.8 Ų | 105.8 | 40% | 0.397 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.8 | -45.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | D20 L24 R25 E26 | D20-A22 PolarHBondContact O-N 2.76Å; D20-A22 WeakPolarHBondContact OD1-CB 3.17Å; D20-A22 PolarHBondContact OD1-N 3.35Å; A22-L24 PolarHBondContact O-N 2.72Å; A22-R25 WeakPolarHBondContact O-CB 3.41Å; A22-R25 PolarHBondContact O-N 2.82Å; A22-R25 VanDerWaalsContact O-N 3.11Å; A22-E26 WeakPolarHBondContact O-CG 3.3Å; A22-E26 PolarHBondContact O-N 3.11Å |
| 23 | K | 42.1 | Very low | 42.2 | Very low | 139 Ų | 139 | 103.5 Ų | 103.5 | 60% | 0.604 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.5 | -33.9 | 178.1 | -67.6 | -174.8 | -178.7 | -178 | 0 | 113.7 | D20 R25 K27 | D20-K23 HydrophobicContact CB-CB 4.22Å; D20-K23 HydrophobicContact CB-CD 4.16Å; D20-K23 HydrophobicContact CB-CG 4.05Å; D20-K23 PolarHBondContact O-N 2.94Å; D20-K23 VanDerWaalsContact O-N 3.09Å; K23-R25 VanDerWaalsContact C-N 3.33Å; K23-K27 WeakPolarHBondContact O-CB 3.36Å; K23-K27 PolarHBondContact O-N 2.89Å |
| 24 | L | 34.3 | Very low | 43.2 | Very low | 56 Ų | 56 | 97.7 Ų | 97.7 | 29% | 0.293 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.7 | -31.2 | 173.8 | -75.2 | 170.8 | 0 | 0 | 0 | 112 | N16 K19 D20 A22 R28 | N16-L24 HydrophobicContact CB-CD1 4.44Å; K19-L24 HydrophobicContact CB-CD1 3.79Å; K19-L24 HydrophobicContact CB-CG 4.34Å; K19-L24 HydrophobicContact CD-CD1 4.47Å; K19-L24 HydrophobicContact CD-CD2 4.5Å; D20-L24 PolarHBondContact O-N 2.97Å; D20-L24 VanDerWaalsContact O-N 3.15Å; A22-L24 PolarHBondContact O-N 2.72Å; L24-R28 PolarHBondContact O-N 3.29Å |
| 25 | R | 49.1 | Very low | 43.8 | Very low | 105 Ų | 105 | 95.2 Ų | 95.2 | 40% | 0.396 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -71.4 | -49 | 173.1 | -72.8 | 166.3 | -176 | -159.2 | -1.6 | 111.2 | L21 A22 K23 K27 R28 V29 | L21-R25 WeakPolarHBondContact O-CB 3.3Å; L21-R25 WeakPolarHBondContact O-CD 3.4Å; L21-R25 WeakPolarHBondContact O-CG 3.39Å; L21-R25 PolarHBondContact O-N 3.41Å; L21-R25 VanDerWaalsContact O-N 3.09Å; A22-R25 WeakPolarHBondContact O-CB 3.41Å; A22-R25 PolarHBondContact O-N 2.82Å; A22-R25 VanDerWaalsContact O-N 3.11Å; K23-R25 VanDerWaalsContact C-N 3.33Å; R25-K27 VanDerWaalsContact C-N 3.3Å; R25-K27 PolarHBondContact O-N 3.36Å; R25-R28 WeakPolarHBondContact O-CB 3.45Å; R25-R28 PolarHBondContact O-N 3.28Å; R25-R28 VanDerWaalsContact O-N 3.08Å; R25-V29 WeakPolarHBondContact O-CG2 3.37Å; R25-V29 PolarHBondContact O-N 2.89Å |
| 26 | E | 47.7 | Very low | 45.1 | Very low | 122 Ų | 122 | 89.6 Ų | 89.6 | 57% | 0.57 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -54.3 | -45 | 174.1 | -76 | 171.9 | -178 | 0 | 0 | 111.8 | A22 R28 V29 S30 | A22-E26 WeakPolarHBondContact O-CG 3.3Å; A22-E26 PolarHBondContact O-N 3.11Å; E26-R28 VanDerWaalsContact C-N 3.34Å; E26-R28 PolarHBondContact O-N 3.24Å; E26-V29 PolarHBondContact O-N 3.12Å; E26-S30 WeakPolarHBondContact O-CB 3.46Å; E26-S30 PolarHBondContact O-N 3.35Å |
| 27 | K | 45.3 | Very low | 46.2 | Very low | 126 Ų | 126 | 87.2 Ų | 87.2 | 55% | 0.548 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.9 | -40 | 177.2 | -174.3 | 172.2 | 178.7 | 175.9 | 0 | 112.6 | K23 R25 E31 | K23-K27 WeakPolarHBondContact O-CB 3.36Å; K23-K27 PolarHBondContact O-N 2.89Å; R25-K27 VanDerWaalsContact C-N 3.3Å; R25-K27 PolarHBondContact O-N 3.36Å; K27-E31 WeakPolarHBondContact CE-OE1 3.28Å; K27-E31 WeakPolarHBondContact O-CB 3.35Å; K27-E31 VanDerWaalsContact O-CG 3.24Å; K27-E31 WeakPolarHBondContact O-CG 3.01Å; K27-E31 PolarHBondContact O-N 2.91Å |
| 28 | R | 50.7 | Low | 47 | Very low | 157 Ų | 157 | 82.5 Ų | 82.5 | 59% | 0.592 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -68.1 | -42.4 | 178 | -173.5 | -173.8 | -63.4 | 179.7 | -0.7 | 111.8 | L24 R25 E26 E31 C32 E433 | L24-R28 PolarHBondContact O-N 3.29Å; R25-R28 WeakPolarHBondContact O-CB 3.45Å; R25-R28 PolarHBondContact O-N 3.28Å; R25-R28 VanDerWaalsContact O-N 3.08Å; E26-R28 VanDerWaalsContact C-N 3.34Å; E26-R28 PolarHBondContact O-N 3.24Å; R28-E31 PolarHBondContact O-N 3.42Å; R28-C32 WeakPolarHBondContact O-CB 3.44Å; R28-C32 PolarHBondContact O-N 2.86Å; R28-E433 IonicContact NH1-OE1 3.04Å |
| 29 | V | 51.6 | Low | 47.3 | Very low | 24 Ų | 24 | 85.5 Ų | 85.5 | 15% | 0.145 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 176.7 | 174.1 | 0 | 0 | 0 | 0 | 110 | R25 E26 C32 V33 A355 | R25-V29 WeakPolarHBondContact O-CG2 3.37Å; R25-V29 PolarHBondContact O-N 2.89Å; E26-V29 PolarHBondContact O-N 3.12Å; V29-C32 PolarHBondContact O-N 3.27Å; V29-V33 WeakPolarHBondContact O-CG2 3.38Å; V29-V33 PolarHBondContact O-N 3.33Å; V29-A355 HydrophobicContact CG1-CB 3.37Å |
| 30 | S | 52.5 | Low | 48.3 | Very low | 68 Ų | 68 | 83.1 Ų | 83.1 | 48% | 0.476 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.7 | -46.1 | 174.6 | -177.5 | 0 | 0 | 0 | 0 | 112.6 | E26 C32 V33 E34 | E26-S30 WeakPolarHBondContact O-CB 3.46Å; E26-S30 PolarHBondContact O-N 3.35Å; S30-C32 VanDerWaalsContact C-N 3.26Å; S30-C32 PolarHBondContact O-N 3.43Å; S30-V33 PolarHBondContact O-N 3.29Å; S30-E34 PolarHBondContact O-N 3.32Å |
| 31 | E | 48.4 | Very low | 48 | Very low | 100 Ų | 100 | 86.7 Ų | 86.7 | 47% | 0.467 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59.9 | -35.8 | 175.3 | -77.9 | 172 | -176.1 | 0 | 0 | 112 | K27 R28 L35 | K27-E31 WeakPolarHBondContact CE-OE1 3.28Å; K27-E31 WeakPolarHBondContact O-CB 3.35Å; K27-E31 VanDerWaalsContact O-CG 3.24Å; K27-E31 WeakPolarHBondContact O-CG 3.01Å; K27-E31 PolarHBondContact O-N 2.91Å; R28-E31 PolarHBondContact O-N 3.42Å; E31-L35 WeakPolarHBondContact O-CB 3.42Å; E31-L35 VanDerWaalsContact O-CG 3.29Å; E31-L35 WeakPolarHBondContact O-CG 3.49Å; E31-L35 PolarHBondContact O-N 3.06Å |
| 32 | C | 53.9 | Low | 48.3 | Very low | 26 Ų | 26 | 85.2 Ų | 85.2 | 18% | 0.176 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -73.8 | -34.7 | 178.1 | -143.3 | 0 | 0 | 0 | 0 | 113.2 | R28 V29 S30 R36 W390 | R28-C32 WeakPolarHBondContact O-CB 3.44Å; R28-C32 PolarHBondContact O-N 2.86Å; V29-C32 PolarHBondContact O-N 3.27Å; S30-C32 VanDerWaalsContact C-N 3.26Å; S30-C32 PolarHBondContact O-N 3.43Å; C32-R36 WeakPolarHBondContact O-CG 3.49Å; C32-R36 PolarHBondContact O-N 3.28Å; C32-W390 HydrophobicContact CB-CH2 4.33Å; C32-W390 HydrophobicContact CB-CZ3 4.47Å; C32-W390 WeakPolarHBondContact SG-CH2 3.34Å |
| 33 | V | 57 | Low | 48.5 | Very low | 14 Ų | 14 | 86.9 Ų | 86.9 | 9% | 0.085 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -64 | -45.4 | 171.7 | 172.7 | 0 | 0 | 0 | 0 | 110.4 | V29 S30 R36 K37 | V29-V33 WeakPolarHBondContact O-CG2 3.38Å; V29-V33 PolarHBondContact O-N 3.33Å; S30-V33 PolarHBondContact O-N 3.29Å; V33-R36 PolarHBondContact O-N 3.3Å; V33-R36 VanDerWaalsContact O-N 3.14Å; V33-K37 PolarHBondContact O-N 2.99Å |
| 34 | E | 55.1 | Low | 49 | Very low | 85 Ų | 85 | 87.3 Ų | 87.3 | 40% | 0.397 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 177.8 | -73.8 | -61.6 | 139.9 | 0 | 0 | 112.7 | S30 R36 K37 A38 | S30-E34 PolarHBondContact O-N 3.32Å; E34-R36 PolarHBondContact O-N 3.14Å; E34-K37 WeakPolarHBondContact O-CB 3.44Å; E34-K37 PolarHBondContact O-N 3.43Å; E34-K37 VanDerWaalsContact O-N 3.15Å; E34-K37 IonicContact OE1-NZ 3.94Å; E34-K37 PolarHBondContact OE1-NZ 3.23Å; E34-A38 PolarHBondContact O-N 3.13Å |
| 35 | L | 45.9 | Very low | 50.6 | Low | 115 Ų | 115 | 87.6 Ų | 87.6 | 60% | 0.602 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -62.4 | -30.1 | 174 | -74 | 170.4 | 0 | 0 | 0 | 112.7 | E31 | E31-L35 WeakPolarHBondContact O-CB 3.42Å; E31-L35 VanDerWaalsContact O-CG 3.29Å; E31-L35 WeakPolarHBondContact O-CG 3.49Å; E31-L35 PolarHBondContact O-N 3.06Å |
| 36 | R | 57.9 | Low | 51.6 | Low | 31 Ų | 31 | 84.9 Ų | 84.9 | 12% | 0.117 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -76 | -32.7 | 174.6 | -74.3 | -170.4 | -68.1 | 162.2 | 1.6 | 112.5 | C32 V33 E34 A38 Q39 S351 N352 E387 | C32-R36 WeakPolarHBondContact O-CG 3.49Å; C32-R36 PolarHBondContact O-N 3.28Å; V33-R36 PolarHBondContact O-N 3.3Å; V33-R36 VanDerWaalsContact O-N 3.14Å; E34-R36 PolarHBondContact O-N 3.14Å; R36-A38 PolarHBondContact O-N 2.98Å; R36-Q39 PolarHBondContact O-N 3.42Å; R36-S351 PolarHBondContact NH1-OG 2.97Å; R36-N352 PolarHBondContact NH2-OD1 3.1Å; R36-E387 IonicContact NH1-OE2 3.35Å; R36-E387 PolarHBondContact NH1-OE2 2.87Å |
| 37 | K | 56.6 | Low | 53.2 | Low | 25 Ų | 25 | 83.7 Ų | 83.7 | 11% | 0.109 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -59 | -36.8 | 172 | -73.2 | 179.2 | 179.3 | 168.2 | 0 | 112.1 | V33 E34 Q39 G272 S313 | V33-K37 PolarHBondContact O-N 2.99Å; E34-K37 WeakPolarHBondContact O-CB 3.44Å; E34-K37 PolarHBondContact O-N 3.43Å; E34-K37 VanDerWaalsContact O-N 3.15Å; E34-K37 IonicContact OE1-NZ 3.94Å; E34-K37 PolarHBondContact OE1-NZ 3.23Å; K37-Q39 PolarHBondContact O-N 3.11Å; K37-G272 PolarHBondContact NZ-O 3.02Å; K37-S313 WeakPolarHBondContact CE-O 3.49Å; K37-S313 WeakPolarHBondContact CE-OG 3.23Å; K37-S313 PolarHBondContact NZ-O 3.47Å |
| 38 | A | 44.7 | Very low | 54.4 | Low | 83 Ų | 83 | 80.5 Ų | 80.5 | 69% | 0.686 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -19 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | E34 R36 K40 | E34-A38 PolarHBondContact O-N 3.13Å; R36-A38 PolarHBondContact O-N 2.98Å; A38-K40 PolarHBondContact O-N 3.21Å |
| 39 | Q | 44.4 | Very low | 54.6 | Low | 149 Ų | 149 | 74.6 Ų | 74.6 | 70% | 0.696 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 18.1 | -170.5 | -68.9 | -173.8 | -20 | 0 | 0 | 115 | R36 K37 | R36-Q39 PolarHBondContact O-N 3.42Å; K37-Q39 PolarHBondContact O-N 3.11Å |
| 40 | K | 54 | Low | 54.7 | Low | 67 Ų | 67 | 78.7 Ų | 78.7 | 29% | 0.291 | 40% | 0.403 | S | S | . | . | trans | -99.1 | 113.6 | -172.7 | -147.2 | 169.4 | -158 | 158 | 0 | 111.9 | A38 R306 E345 | A38-K40 PolarHBondContact O-N 3.21Å; K40-R306 VanDerWaalsContact CE-NH1 3.26Å; K40-R306 VanDerWaalsContact CE-NH2 3.35Å; K40-E345 IonicContact NZ-OE1 2.58Å; K40-E345 IonicContact NZ-OE2 3.56Å | ||
| 41 | N | 36.8 | Very low | 54 | Low | 164 Ų | 164 | 80.8 Ų | 80.8 | 88% | 0.877 | 41% | 0.408 | S | S | * | . | trans | -71.4 | 133.8 | 176.2 | -70.2 | -12.4 | 0 | 0 | 0 | 111.5 | ||||
| 42 | E | 45.8 | Very low | 53.4 | Low | 85 Ų | 85 | 81.2 Ų | 81.2 | 40% | 0.397 | 41% | 0.413 | S | S | . | . | trans | -103.8 | 141.7 | 172.6 | -64.7 | -179 | 162.8 | 0 | 0 | 109.7 | N230 | E42-N230 WeakPolarHBondContact OE2-CA 3.44Š| ||
| 43 | S | 43.8 | Very low | 52.1 | Low | 84 Ų | 84 | 84.8 Ų | 84.8 | 59% | 0.587 | 44% | 0.439 | S | S | * | . | trans | -108.7 | 146 | 174.4 | 64 | 0 | 0 | 0 | 0 | 110.9 | R229 | S43-R229 PolarHBondContact O-NH1 3.22Å; S43-R229 PolarHBondContact O-NH2 2.89Å | ||
| 44 | F | 52.8 | Low | 50.6 | Low | 147 Ų | 147 | 89.1 Ų | 89.1 | 65% | 0.645 | 47% | 0.47 | S | S | * | . | trans | -62.2 | 144.2 | 174.1 | -59.7 | -80.1 | 0 | 0 | 0 | 112 | D187 | F44-D187 WeakPolarHBondContact CD1-O 3.4Å; F44-D187 WeakPolarHBondContact CE1-O 3.14Å | ||
| 45 | L | 67.6 | Low | 49.6 | Very low | 62 Ų | 62 | 90.6 Ų | 90.6 | 33% | 0.325 | 48% | 0.48 | S | S | . | . | trans | -126.5 | 106 | 175.7 | -88.9 | 158.5 | 0 | 0 | 0 | 109.5 | R229 | L45-R229 VanDerWaalsContact CD1-NH1 3.33Å; L45-R229 VanDerWaalsContact N-NH1 3.16Å | ||
| 46 | K | 71.6 | Confident | 48.9 | Very low | 48 Ų | 48 | 90.8 Ų | 90.8 | 21% | 0.209 | 49% | 0.487 | C | S | . | . | trans | -125.8 | 152 | 168.8 | -62.3 | -175.3 | -177.3 | -176.3 | 0 | 108.8 | G145 T150 D187 | K46-G145 WeakPolarHBondContact CD-O 3.29Å; K46-G145 PolarHBondContact NZ-O 3.16Å; K46-T150 PolarHBondContact NZ-OG1 2.96Å; K46-D187 VanDerWaalsContact CE-CB 3.43Å; K46-D187 WeakPolarHBondContact CE-OD1 3.26Å; K46-D187 IonicContact NZ-OD1 3.46Å; K46-D187 PolarHBondContact NZ-OD1 3.28Å | ||
| 47 | R | 79.8 | Confident | 47.5 | Very low | 98 Ų | 98 | 96.9 Ų | 96.9 | 37% | 0.37 | 52% | 0.523 | S | S | . | . | trans | -126.6 | 128.4 | 177.8 | -68.2 | -178.6 | -179 | 166.4 | 6 | 109.4 | W179 N183 W222 D261 | R47-W179 HydrophobicContact CB-CZ2 4.36Å; R47-W179 PolarHBondContact O-NE1 2.91Å; R47-N183 PolarHBondContact N-OD1 3.03Å; R47-N183 PolarHBondContact O-ND2 3.36Å; R47-N183 PolarHBondContact O-OD1 3.41Å; R47-N183 VanDerWaalsContact O-OD1 3.1Å; R47-W222 HydrophobicContact CB-CH2 4.19Å; R47-W222 HydrophobicContact CB-CZ2 4.1Å; R47-W222 HydrophobicContact CG-CH2 4.34Å; R47-W222 HydrophobicContact CG-CZ2 3.74Å; R47-W222 VanDerWaalsContact NH1-CD1 3.32Å; R47-D261 IonicContact CZ-OD2 2.79Å; R47-D261 IonicContact NH1-OD2 2.72Å; R47-D261 IonicContact NH2-OD1 3.9Å; R47-D261 PolarHBondContact NH2-OD1 3.13Å; R47-D261 IonicContact NH2-OD2 2.63Å; R47-D261 PolarHBondContact NH2-OD2 2.91Å | ||
| 48 | R | 70.5 | Confident | 46.4 | Very low | 58 Ų | 58 | 103.5 Ų | 103.5 | 22% | 0.219 | 55% | 0.554 | C | S | . | * | trans | -103.9 | 138.4 | 170.2 | -171.3 | 168.7 | 71.7 | -148 | 2.1 | 109.7 | I50 G102 N103 S144 | R48-I50 PolarHBondContact O-N 3.25Å; R48-G102 PolarHBondContact NH2-O 3.22Å; R48-N103 PolarHBondContact NH1-O 2.84Å; R48-N103 VanDerWaalsContact NH2-C 3.3Å; R48-N103 PolarHBondContact NH2-O 2.99Å; R48-S144 WeakPolarHBondContact CB-OG 3.43Å | ||
| 49 | N | 56.6 | Low | 45.6 | Very low | 33 Ų | 33 | 109.1 Ų | 109.1 | 18% | 0.176 | 57% | 0.566 | C | S | . | * | trans | -78.3 | 116 | 176.2 | -154.3 | -3.8 | 0 | 0 | 0 | 110.7 | I51 S100 W137 W179 | N49-I51 PolarHBondContact OD1-N 2.81Å; N49-S100 PolarHBondContact O-OG 2.9Å; N49-W137 HydrophobicContact CB-CZ2 4.06Å; N49-W137 WeakPolarHBondContact ND2-CZ2 3.45Å; N49-W179 HydrophobicContact CB-CH2 3.09Å; N49-W179 HydrophobicContact CB-CZ2 3.72Å; N49-W179 HydrophobicContact CB-CZ3 3.53Å; N49-W179 WeakPolarHBondContact ND2-CZ3 3.08Å | ||
| 50 | I | 53.2 | Low | 44.9 | Very low | 110 Ų | 110 | 105.6 Ų | 105.6 | 56% | 0.564 | 56% | 0.562 | S | S | * | * | trans | -108.3 | -9.2 | -179.4 | -60.1 | 175.6 | 0 | 0 | 0 | 111.3 | R48 | R48-I50 PolarHBondContact O-N 3.25Š| ||
| 51 | I | 36.9 | Very low | 43.5 | Very low | 112 Ų | 112 | 112.1 Ų | 112.1 | 57% | 0.574 | 59% | 0.591 | S | S | * | * | trans | -100.5 | 121.9 | -173.8 | -57.2 | 176.5 | 0 | 0 | 0 | 110.8 | N49 | N49-I51 PolarHBondContact OD1-N 2.81Š| ||
| 52 | L | 35.6 | Very low | 42.9 | Very low | 109 Ų | 109 | 109 Ų | 109 | 57% | 0.571 | 58% | 0.582 | S | S | * | * | trans | -103.9 | 17.8 | 179.6 | -156.3 | 87.5 | 0 | 0 | 0 | 113.3 | R96 | L52-R96 VanDerWaalsContact CD1-NH1 3.31Š| ||
| 53 | S | 27.4 | Very low | 42.2 | Very low | 102 Ų | 102 | 111.2 Ų | 111.2 | 71% | 0.713 | 60% | 0.604 | S | S | * | * | trans | -134.8 | 32.6 | -163.3 | 70.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 54 | S | 26.4 | Very low | 41.6 | Very low | 105 Ų | 105 | 115.6 Ų | 115.6 | 73% | 0.734 | 62% | 0.615 | S | S | * | * | trans | -151.4 | 58.4 | 172.3 | 64.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 55 | L | 33.1 | Very low | 40.6 | Very low | 116 Ų | 116 | 116.8 Ų | 116.8 | 61% | 0.607 | 62% | 0.622 | S | S | * | * | trans | -109.6 | 131.5 | 158.3 | -71.4 | 169.9 | 0 | 0 | 0 | 107.6 | D57 | L55-D57 PolarHBondContact O-N 2.83Š| ||
| 56 | P | 31.8 | Very low | 39 | Very low | 118 Ų | 118 | 121.6 Ų | 121.6 | 77% | 0.766 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 101.9 | 168.4 | 29.7 | -26.2 | 0 | 0 | 0 | 107.2 | ||
| 57 | D | 28.8 | Very low | 37.4 | Very low | 160 Ų | 160 | 124.1 Ų | 124.1 | 86% | 0.856 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 167.7 | 12.5 | 156.8 | -85.3 | -16 | 0 | 0 | 0 | 113.4 | L55 E59 | L55-D57 PolarHBondContact O-N 2.83Å; D57-E59 VanDerWaalsContact C-N 3.29Å; D57-E59 PolarHBondContact O-N 3.27Å |
| 58 | E | 33.3 | Very low | 35.5 | Very low | 164 Ų | 164 | 126 Ų | 126 | 77% | 0.766 | 69% | 0.687 | S | S | * | * | trans | -86.2 | 24.4 | 172 | -72 | -158.4 | 171.3 | 0 | 0 | 114.6 | ||||
| 59 | E | 27.2 | Very low | 34.5 | Very low | 200 Ų | 200 | 127.2 Ų | 127.2 | 94% | 0.935 | 70% | 0.697 | S | S | * | * | trans | -96.8 | 14.8 | 177.2 | -81.6 | -163.8 | 173.4 | 0 | 0 | 115 | D57 | D57-E59 VanDerWaalsContact C-N 3.29Å; D57-E59 PolarHBondContact O-N 3.27Å | ||
| 60 | A | 28.9 | Very low | 34.7 | Very low | 75 Ų | 75 | 130.5 Ų | 130.5 | 62% | 0.62 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -124.5 | 22.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 61 | F | 25.7 | Very low | 35.6 | Very low | 204 Ų | 204 | 127.3 Ų | 127.3 | 90% | 0.895 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -146.7 | 134 | 158.5 | -78.5 | -76.2 | 0 | 0 | 0 | 111.1 | ||
| 62 | S | 25 | Very low | 37.9 | Very low | 99 Ų | 99 | 130 Ų | 130 | 69% | 0.692 | 71% | 0.708 | S | S | * | * | trans | -41 | 147.2 | -173.6 | 44.9 | 0 | 0 | 0 | 0 | 117.1 | E64 | S62-E64 PolarHBondContact O-N 3.05Š| ||
| 63 | P | 30.3 | Very low | 40.4 | Very low | 132 Ų | 132 | 126.6 Ų | 126.6 | 86% | 0.857 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -86.1 | 74.1 | -179 | 36.3 | -33.1 | 0 | 0 | 0 | 111.2 | ||
| 64 | E | 31.4 | Very low | 43.5 | Very low | 175 Ų | 175 | 128 Ų | 128 | 82% | 0.818 | 69% | 0.685 | S | S | * | * | trans | -153.7 | 87.7 | 170.1 | -104.2 | 179.4 | -153 | 0 | 0 | 110 | S62 | S62-E64 PolarHBondContact O-N 3.05Š| ||
| 65 | Q | 30.9 | Very low | 46.7 | Very low | 172 Ų | 172 | 126 Ų | 126 | 80% | 0.804 | 67% | 0.666 | S | S | * | * | trans | -177.3 | 108.8 | 141.4 | -99 | 159.8 | 34 | 0 | 0 | 110.2 | D67 | Q65-D67 PolarHBondContact O-N 3.35Š| ||
| 66 | N | 35.3 | Very low | 49.7 | Very low | 164 Ų | 164 | 120.5 Ų | 120.5 | 88% | 0.877 | 64% | 0.638 | S | S | * | * | trans | -62.8 | 86.4 | 159.7 | -94.3 | -25.2 | 0 | 0 | 0 | 108.5 | T68 | N66-T68 VanDerWaalsContact C-N 3.29Å; N66-T68 PolarHBondContact O-N 3.38Å | ||
| 67 | D | 37.8 | Very low | 52.8 | Low | 101 Ų | 101 | 117.6 Ų | 117.6 | 54% | 0.54 | 62% | 0.615 | S | S | . | * | trans | -77.7 | 86.7 | 174.8 | -107.4 | -16.7 | 0 | 0 | 0 | 110.5 | Q65 L69 | Q65-D67 PolarHBondContact O-N 3.35Å; D67-L69 HydrophobicContact CB-CB 4.42Å; D67-L69 HydrophobicContact CB-CD1 4.05Å; D67-L69 HydrophobicContact CB-CG 4.14Å; D67-L69 PolarHBondContact O-N 3.41Å; D67-L69 WeakPolarHBondContact OD1-CG 3.36Å; D67-L69 WeakPolarHBondContact OD2-CD1 3.36Å | ||
| 68 | T | 38.8 | Very low | 56 | Low | 138 Ų | 138 | 116.8 Ų | 116.8 | 85% | 0.847 | 60% | 0.6 | S | S | * | * | trans | -69.1 | 43.3 | 154.1 | -13.6 | 0 | 0 | 0 | 0 | 110.1 | N66 S70 | N66-T68 VanDerWaalsContact C-N 3.29Å; N66-T68 PolarHBondContact O-N 3.38Å; T68-S70 PolarHBondContact O-N 2.87Å | ||
| 69 | L | 50 | Low | 59 | Low | 82 Ų | 82 | 110.4 Ų | 110.4 | 43% | 0.429 | 57% | 0.571 | S | S | . | * | trans | -69.6 | 101.1 | 170.6 | -81.8 | 167.7 | 0 | 0 | 0 | 107.8 | D67 F71 K101 | D67-L69 HydrophobicContact CB-CB 4.42Å; D67-L69 HydrophobicContact CB-CD1 4.05Å; D67-L69 HydrophobicContact CB-CG 4.14Å; D67-L69 PolarHBondContact O-N 3.41Å; D67-L69 WeakPolarHBondContact OD1-CG 3.36Å; D67-L69 WeakPolarHBondContact OD2-CD1 3.36Å; L69-F71 VanDerWaalsContact C-N 3.33Å; L69-F71 HydrophobicContact CB-CD1 4.44Å; L69-F71 HydrophobicContact CB-CE1 4.06Å; L69-F71 HydrophobicContact CB-CZ 4.22Å; L69-F71 HydrophobicContact CD1-CE1 4.33Å; L69-F71 PolarHBondContact O-N 3.22Å; L69-F71 VanDerWaalsContact O-N 3.07Å; L69-K101 PolarHBondContact O-NZ 3.45Å | ||
| 70 | S | 60.3 | Low | 62.3 | Low | 102 Ų | 102 | 100.9 Ų | 100.9 | 71% | 0.713 | 53% | 0.527 | S | S | * | . | trans | -63.6 | 99.8 | 156.2 | 179.1 | 0 | 0 | 0 | 0 | 106.6 | T68 R72 | T68-S70 PolarHBondContact O-N 2.87Å; S70-R72 PolarHBondContact O-N 3.45Å; S70-R72 VanDerWaalsContact O-N 3.13Å | ||
| 71 | F | 72.1 | Confident | 65.5 | Low | 44 Ų | 44 | 101.5 Ų | 101.5 | 19% | 0.193 | 52% | 0.519 | C | S | . | . | trans | -68.1 | 108.6 | 173.4 | -60 | -68.3 | 0 | 0 | 0 | 107.9 | L69 I76 A94 K97 | L69-F71 VanDerWaalsContact C-N 3.33Å; L69-F71 HydrophobicContact CB-CD1 4.44Å; L69-F71 HydrophobicContact CB-CE1 4.06Å; L69-F71 HydrophobicContact CB-CZ 4.22Å; L69-F71 HydrophobicContact CD1-CE1 4.33Å; L69-F71 PolarHBondContact O-N 3.22Å; L69-F71 VanDerWaalsContact O-N 3.07Å; F71-I76 HydrophobicContact CB-CD1 4.32Å; F71-A94 HydrophobicContact CD1-CB 3.81Å; F71-A94 HydrophobicContact CE1-CB 4.22Å; F71-A94 HydrophobicContact CG-CB 4.35Å; F71-K97 HydrophobicContact CD2-CB 4.35Å; F71-K97 HydrophobicContact CE2-CB 3.69Å; F71-K97 HydrophobicContact CE2-CD 4.18Å; F71-K97 HydrophobicContact CZ-CB 4.12Å; F71-K97 HydrophobicContact CZ-CD 3.76Å | ||
| 72 | R | 86.4 | Confident | 68.9 | Low | 169 Ų | 169 | 93.1 Ų | 93.1 | 64% | 0.638 | 49% | 0.486 | S | S | * | . | trans | -76 | 133.9 | 173.7 | -70.6 | -175 | 176.8 | -174.7 | -0.8 | 109.2 | S70 E74 D75 I76 | S70-R72 PolarHBondContact O-N 3.45Å; S70-R72 VanDerWaalsContact O-N 3.13Å; R72-E74 WeakPolarHBondContact CB-OE2 3.41Å; R72-E74 PolarHBondContact O-N 2.84Å; R72-D75 PolarHBondContact O-N 2.94Å; R72-I76 PolarHBondContact O-N 3.18Å | ||
| 73 | I | 88.5 | Confident | 72.1 | Confident | 36 Ų | 36 | 96.2 Ų | 96.2 | 19% | 0.185 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -63.4 | -31.4 | -178.1 | -66.2 | -179.5 | 0 | 0 | 0 | 110.3 | D75 I76 I77 L98 P106 E109 A113 | I73-D75 VanDerWaalsContact C-N 3.33Å; I73-D75 PolarHBondContact O-N 3Å; I73-I76 WeakPolarHBondContact O-CB 3.34Å; I73-I76 PolarHBondContact O-N 3.06Å; I73-I77 HydrophobicContact CG2-CD1 3.81Å; I73-I77 HydrophobicContact CG2-CG1 4.2Å; I73-I77 VanDerWaalsContact O-CG1 3.25Å; I73-I77 WeakPolarHBondContact O-CG1 3.42Å; I73-I77 PolarHBondContact O-N 3.23Å; I73-L98 HydrophobicContact CD1-CD2 4.46Å; I73-L98 HydrophobicContact CG1-CD2 3.93Å; I73-P106 HydrophobicContact CD1-CB 4.48Å; I73-E109 HydrophobicContact CD1-CB 3.48Å; I73-E109 VanDerWaalsContact CD1-CB 3.48Å; I73-E109 HydrophobicContact CD1-CG 4.16Å; I73-A113 HydrophobicContact CG2-CB 4.48Å |
| 74 | E | 92.6 | Very high | 75.3 | Confident | 132 Ų | 132 | 93.4 Ų | 93.4 | 62% | 0.617 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.6 | -39 | 177.6 | -59.6 | 76.8 | -166.5 | 0 | 0 | 112.4 | R72 I77 R78 | R72-E74 WeakPolarHBondContact CB-OE2 3.41Å; R72-E74 PolarHBondContact O-N 2.84Å; E74-I77 PolarHBondContact O-N 2.82Å; E74-R78 WeakPolarHBondContact O-CB 3.38Å; E74-R78 PolarHBondContact O-N 2.93Å |
| 75 | D | 93.7 | Very high | 78.3 | Confident | 62 Ų | 62 | 89.7 Ų | 89.7 | 33% | 0.332 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -69.1 | -40.1 | 176.3 | -69.7 | -49.9 | 0 | 0 | 0 | 110.8 | R72 I73 I77 R78 D79 | R72-D75 PolarHBondContact O-N 2.94Å; I73-D75 VanDerWaalsContact C-N 3.33Å; I73-D75 PolarHBondContact O-N 3Å; D75-I77 VanDerWaalsContact C-N 3.35Å; D75-I77 PolarHBondContact O-N 3.33Å; D75-R78 PolarHBondContact O-N 3.13Å; D75-R78 IonicContact OD1-CZ 3.73Å; D75-R78 IonicContact OD1-NH1 3.15Å; D75-R78 PolarHBondContact OD1-NH1 3.27Å; D75-R78 IonicContact OD1-NH2 3.72Å; D75-R78 PolarHBondContact OD1-NH2 3.12Å; D75-D79 VanDerWaalsContact O-CB 3.32Å; D75-D79 WeakPolarHBondContact O-CB 3.43Å; D75-D79 VanDerWaalsContact O-CG 3.29Å; D75-D79 PolarHBondContact O-N 3.27Å |
| 76 | I | 95.6 | Very high | 81.4 | Confident | 2 Ų | 2 | 87.8 Ų | 87.8 | 1% | 0.01 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -59 | -47.9 | 174 | -62.6 | 172.7 | 0 | 0 | 0 | 110.2 | F71 R72 I73 R78 D79 V80 A94 A95 L98 I110 L115 | F71-I76 HydrophobicContact CB-CD1 4.32Å; R72-I76 PolarHBondContact O-N 3.18Å; I73-I76 WeakPolarHBondContact O-CB 3.34Å; I73-I76 PolarHBondContact O-N 3.06Å; I76-R78 PolarHBondContact O-N 2.95Å; I76-D79 PolarHBondContact O-N 3.31Å; I76-V80 HydrophobicContact CG2-CG2 4.11Å; I76-V80 VanDerWaalsContact O-CB 3.29Å; I76-V80 WeakPolarHBondContact O-CB 3.15Å; I76-V80 VanDerWaalsContact O-CG2 3.23Å; I76-V80 WeakPolarHBondContact O-CG2 3.44Å; I76-V80 PolarHBondContact O-N 2.73Å; I76-A94 HydrophobicContact CD1-CB 4.27Å; I76-A94 HydrophobicContact CG1-CB 3.83Å; I76-A95 HydrophobicContact CG2-CB 3.81Å; I76-L98 HydrophobicContact CD1-CB 4.45Å; I76-L98 HydrophobicContact CD1-CD2 3.74Å; I76-I110 HydrophobicContact CD1-CD1 4.44Å; I76-I110 HydrophobicContact CG2-CD1 4.49Å; I76-L115 HydrophobicContact CG2-CD1 3.75Å |
| 77 | I | 95.6 | Very high | 84.3 | Confident | 56 Ų | 56 | 80.3 Ų | 80.3 | 29% | 0.287 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.9 | -47.2 | 179.6 | -68.2 | 165 | 0 | 0 | 0 | 110.8 | I73 E74 D75 N81 A113 L115 | I73-I77 HydrophobicContact CG2-CD1 3.81Å; I73-I77 HydrophobicContact CG2-CG1 4.2Å; I73-I77 VanDerWaalsContact O-CG1 3.25Å; I73-I77 WeakPolarHBondContact O-CG1 3.42Å; I73-I77 PolarHBondContact O-N 3.23Å; E74-I77 PolarHBondContact O-N 2.82Å; D75-I77 VanDerWaalsContact C-N 3.35Å; D75-I77 PolarHBondContact O-N 3.33Å; I77-N81 WeakPolarHBondContact O-CB 3.35Å; I77-N81 PolarHBondContact O-N 3.01Å; I77-N81 VanDerWaalsContact O-N 3.13Å; I77-N81 PolarHBondContact O-ND2 3.25Å; I77-A113 HydrophobicContact CD1-CB 3.66Å; I77-A113 HydrophobicContact CG1-CB 3.85Å; I77-L115 HydrophobicContact CB-CD2 4.46Å; I77-L115 HydrophobicContact CG1-CD1 4.23Å; I77-L115 HydrophobicContact CG1-CD2 4.11Å; I77-L115 HydrophobicContact CG1-CG 4.44Å |
| 78 | R | 96.2 | Very high | 87.1 | Confident | 143 Ų | 143 | 75.7 Ų | 75.7 | 54% | 0.54 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 179.9 | -178.4 | -171.7 | 63.8 | -137.2 | -12.4 | 111.2 | E74 D75 I76 S82 | E74-R78 WeakPolarHBondContact O-CB 3.38Å; E74-R78 PolarHBondContact O-N 2.93Å; D75-R78 PolarHBondContact O-N 3.13Å; D75-R78 IonicContact OD1-CZ 3.73Å; D75-R78 IonicContact OD1-NH1 3.15Å; D75-R78 PolarHBondContact OD1-NH1 3.27Å; D75-R78 IonicContact OD1-NH2 3.72Å; D75-R78 PolarHBondContact OD1-NH2 3.12Å; I76-R78 PolarHBondContact O-N 2.95Å; R78-S82 PolarHBondContact O-N 3.06Å; R78-S82 VanDerWaalsContact O-N 3.14Å |
| 79 | D | 96.9 | Very high | 89.9 | Confident | 31 Ų | 31 | 70.4 Ų | 70.4 | 17% | 0.166 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -72.5 | -41.8 | -172.5 | -73.7 | 15 | 0 | 0 | 0 | 111.3 | D75 I76 N81 S82 A87 Q88 | D75-D79 VanDerWaalsContact O-CB 3.32Å; D75-D79 WeakPolarHBondContact O-CB 3.43Å; D75-D79 VanDerWaalsContact O-CG 3.29Å; D75-D79 PolarHBondContact O-N 3.27Å; I76-D79 PolarHBondContact O-N 3.31Å; D79-N81 PolarHBondContact O-N 2.81Å; D79-S82 WeakPolarHBondContact O-CB 3.47Å; D79-S82 PolarHBondContact O-N 3.11Å; D79-S82 PolarHBondContact O-OG 3.2Å; D79-A87 WeakPolarHBondContact CB-O 3.33Å; D79-A87 CarbonylContact O-C 3.46Å; D79-Q88 WeakPolarHBondContact O-CA 3.29Å; D79-Q88 PolarHBondContact O-N 2.62Å |
| 80 | V | 96.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63 | -38 | 175.4 | 168.4 | 0 | 0 | 0 | 0 | 112.3 | I76 S82 L115 Q118 F119 F122 | I76-V80 HydrophobicContact CG2-CG2 4.11Å; I76-V80 VanDerWaalsContact O-CB 3.29Å; I76-V80 WeakPolarHBondContact O-CB 3.15Å; I76-V80 VanDerWaalsContact O-CG2 3.23Å; I76-V80 WeakPolarHBondContact O-CG2 3.44Å; I76-V80 PolarHBondContact O-N 2.73Å; V80-S82 VanDerWaalsContact C-N 3.32Å; V80-L115 HydrophobicContact CB-CD2 4.18Å; V80-L115 HydrophobicContact CG1-CD2 3.92Å; V80-Q118 HydrophobicContact CG1-CB 3.81Å; V80-Q118 HydrophobicContact CG1-CG 3.56Å; V80-F119 HydrophobicContact CG1-CE1 4.15Å; V80-F119 HydrophobicContact CG2-CE1 3.94Å; V80-F122 HydrophobicContact CG1-CE2 4.05Å |
| 81 | N | 96.2 | Very high | 93.8 | Very high | 88 Ų | 88 | 67.3 Ų | 67.3 | 47% | 0.471 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 4.6 | 179.3 | -67.7 | -61.5 | 0 | 0 | 0 | 113.8 | I77 D79 | I77-N81 WeakPolarHBondContact O-CB 3.35Å; I77-N81 PolarHBondContact O-N 3.01Å; I77-N81 VanDerWaalsContact O-N 3.13Å; I77-N81 PolarHBondContact O-ND2 3.25Å; D79-N81 PolarHBondContact O-N 2.81Å |
| 82 | S | 95.8 | Very high | 94.9 | Very high | 28 Ų | 28 | 65.2 Ų | 65.2 | 20% | 0.196 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -70.7 | 165.8 | 177.2 | 75.1 | 0 | 0 | 0 | 0 | 111.6 | R78 D79 V80 D84 A87 Q88 | R78-S82 PolarHBondContact O-N 3.06Å; R78-S82 VanDerWaalsContact O-N 3.14Å; D79-S82 WeakPolarHBondContact O-CB 3.47Å; D79-S82 PolarHBondContact O-N 3.11Å; D79-S82 PolarHBondContact O-OG 3.2Å; V80-S82 VanDerWaalsContact C-N 3.32Å; S82-D84 PolarHBondContact OG-N 3.12Å; S82-D84 PolarHBondContact OG-O 3.14Å; S82-A87 WeakPolarHBondContact OG-CB 3.33Å; S82-Q88 PolarHBondContact O-NE2 3.47Å |
| 83 | N | 93.9 | Very high | 95.4 | Very high | 163 Ų | 163 | 60.5 Ų | 60.5 | 87% | 0.872 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -90.5 | -0.8 | 171.8 | -68.3 | -34.9 | 0 | 0 | 0 | 112.9 | ||
| 84 | D | 95.8 | Very high | 95.7 | Very high | 73 Ų | 73 | 59.5 Ų | 59.5 | 39% | 0.39 | 29% | 0.286 | S | S | . | . | trans | -96.9 | 126.3 | -177.3 | 169.1 | 44.1 | 0 | 0 | 0 | 110.6 | S82 E86 A87 Q88 R90 | S82-D84 PolarHBondContact OG-N 3.12Å; S82-D84 PolarHBondContact OG-O 3.14Å; D84-E86 VanDerWaalsContact C-N 3.33Å; D84-E86 PolarHBondContact O-N 3.13Å; D84-E86 PolarHBondContact OD1-N 2.95Å; D84-A87 HydrophobicContact CB-CB 3.93Å; D84-A87 PolarHBondContact O-N 3.13Å; D84-A87 VanDerWaalsContact OD2-CB 3.22Å; D84-A87 WeakPolarHBondContact OD2-CB 3.35Å; D84-A87 PolarHBondContact OD2-N 3.49Å; D84-Q88 VanDerWaalsContact O-CG 3.28Å; D84-Q88 WeakPolarHBondContact O-CG 3.24Å; D84-Q88 PolarHBondContact O-N 3.43Å; D84-R90 IonicContact OD2-NH2 2.71Å | ||
| 85 | R | 94.8 | Very high | 95.8 | Very high | 97 Ų | 97 | 53.2 Ų | 53.2 | 37% | 0.366 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -67.9 | -34 | -175.3 | -63.2 | -40.3 | -171.2 | -147.5 | 1.1 | 112.9 | Q88 T89 | R85-Q88 VanDerWaalsContact NH1-NE2 3.17Å; R85-Q88 PolarHBondContact O-N 2.86Å; R85-T89 WeakPolarHBondContact O-CB 3.45Å; R85-T89 PolarHBondContact O-N 3.21Å; R85-T89 PolarHBondContact O-OG1 3.11Å |
| 86 | E | 95.4 | Very high | 95.8 | Very high | 132 Ų | 132 | 50.8 Ų | 50.8 | 62% | 0.617 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -68.3 | -42.8 | 176.3 | -59.1 | -171.7 | 168.7 | 0 | 0 | 111 | D84 T89 R90 | D84-E86 VanDerWaalsContact C-N 3.33Å; D84-E86 PolarHBondContact O-N 3.13Å; D84-E86 PolarHBondContact OD1-N 2.95Å; E86-T89 PolarHBondContact O-N 3.43Å; E86-R90 VanDerWaalsContact CB-NH1 3.26Å; E86-R90 WeakPolarHBondContact O-CG 3.42Å; E86-R90 PolarHBondContact O-N 3.45Å; E86-R90 IonicContact OE2-NH1 3.21Å; E86-R90 PolarHBondContact OE2-NH1 2.96Å |
| 87 | A | 96.1 | Very high | 95.6 | Very high | 7 Ų | 7 | 53.7 Ų | 53.7 | 6% | 0.058 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.6 | -46 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D79 S82 D84 T89 R90 G91 | D79-A87 WeakPolarHBondContact CB-O 3.33Å; D79-A87 CarbonylContact O-C 3.46Å; S82-A87 WeakPolarHBondContact OG-CB 3.33Å; D84-A87 HydrophobicContact CB-CB 3.93Å; D84-A87 PolarHBondContact O-N 3.13Å; D84-A87 VanDerWaalsContact OD2-CB 3.22Å; D84-A87 WeakPolarHBondContact OD2-CB 3.35Å; D84-A87 PolarHBondContact OD2-N 3.49Å; A87-T89 VanDerWaalsContact C-N 3.27Å; A87-T89 PolarHBondContact O-N 3.34Å; A87-R90 PolarHBondContact O-N 3.3Å; A87-G91 PolarHBondContact O-N 2.95Å |
| 88 | Q | 98 | Very high | 95.4 | Very high | 5 Ų | 5 | 52.2 Ų | 52.2 | 2% | 0.023 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.4 | -41.6 | 175.6 | -70.8 | 177.4 | -23.7 | 0 | 0 | 112.2 | D79 S82 D84 R85 G91 C92 F122 L131 | D79-Q88 WeakPolarHBondContact O-CA 3.29Å; D79-Q88 PolarHBondContact O-N 2.62Å; S82-Q88 PolarHBondContact O-NE2 3.47Å; D84-Q88 VanDerWaalsContact O-CG 3.28Å; D84-Q88 WeakPolarHBondContact O-CG 3.24Å; D84-Q88 PolarHBondContact O-N 3.43Å; R85-Q88 VanDerWaalsContact NH1-NE2 3.17Å; R85-Q88 PolarHBondContact O-N 2.86Å; Q88-G91 PolarHBondContact O-N 2.94Å; Q88-C92 PolarHBondContact O-N 2.87Å; Q88-C92 PolarHBondContact O-SG 3.04Å; Q88-F122 HydrophobicContact CB-CE1 4.32Å; Q88-F122 HydrophobicContact CB-CE2 4.28Å; Q88-F122 HydrophobicContact CB-CZ 3.73Å; Q88-F122 HydrophobicContact CG-CE1 4.2Å; Q88-F122 HydrophobicContact CG-CZ 3.67Å; Q88-L131 HydrophobicContact CB-CD1 4.15Å; Q88-L131 HydrophobicContact CB-CD2 4.22Å |
| 89 | T | 96.4 | Very high | 95.1 | Very high | 27 Ų | 27 | 45.4 Ų | 45.4 | 17% | 0.166 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.6 | -47.6 | 176.9 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | R85 E86 A87 G91 C92 Q93 T130 | R85-T89 WeakPolarHBondContact O-CB 3.45Å; R85-T89 PolarHBondContact O-N 3.21Å; R85-T89 PolarHBondContact O-OG1 3.11Å; E86-T89 PolarHBondContact O-N 3.43Å; A87-T89 VanDerWaalsContact C-N 3.27Å; A87-T89 PolarHBondContact O-N 3.34Å; T89-G91 VanDerWaalsContact C-N 3.31Å; T89-G91 PolarHBondContact O-N 3.42Å; T89-C92 PolarHBondContact O-N 3.33Å; T89-Q93 WeakPolarHBondContact O-CB 3.45Å; T89-Q93 PolarHBondContact O-N 3.08Å; T89-T130 HydrophobicContact CG2-CG2 3.71Å |
| 90 | R | 96.2 | Very high | 94.7 | Very high | 118 Ų | 118 | 44.8 Ų | 44.8 | 45% | 0.445 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.7 | -43.4 | 174.9 | -73.2 | -172.7 | -59.9 | -91 | -0.8 | 111.6 | D84 E86 A87 Q93 A94 | D84-R90 IonicContact OD2-NH2 2.71Å; E86-R90 VanDerWaalsContact CB-NH1 3.26Å; E86-R90 WeakPolarHBondContact O-CG 3.42Å; E86-R90 PolarHBondContact O-N 3.45Å; E86-R90 IonicContact OE2-NH1 3.21Å; E86-R90 PolarHBondContact OE2-NH1 2.96Å; A87-R90 PolarHBondContact O-N 3.3Å; R90-Q93 PolarHBondContact O-N 3.16Å; R90-A94 WeakPolarHBondContact O-CB 3.46Å; R90-A94 PolarHBondContact O-N 3.12Å |
| 91 | G | 96.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.4 | -48.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A87 Q88 T89 Q93 A94 A95 | A87-G91 PolarHBondContact O-N 2.95Å; Q88-G91 PolarHBondContact O-N 2.94Å; T89-G91 VanDerWaalsContact C-N 3.31Å; T89-G91 PolarHBondContact O-N 3.42Å; G91-Q93 PolarHBondContact O-N 2.94Å; G91-A94 PolarHBondContact O-N 3.16Å; G91-A95 PolarHBondContact O-N 3.4Å |
| 92 | C | 96.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.6 | -41.6 | 176.6 | -70.2 | 0 | 0 | 0 | 0 | 112.2 | Q88 T89 A94 A95 R96 F122 L131 E134 | Q88-C92 PolarHBondContact O-N 2.87Å; Q88-C92 PolarHBondContact O-SG 3.04Å; T89-C92 PolarHBondContact O-N 3.33Å; C92-A94 PolarHBondContact O-N 3.49Å; C92-A95 WeakPolarHBondContact O-CB 3.2Å; C92-A95 PolarHBondContact O-N 3.06Å; C92-R96 PolarHBondContact O-N 2.83Å; C92-F122 WeakPolarHBondContact SG-CD2 3.39Å; C92-F122 WeakPolarHBondContact SG-CE2 3.46Å; C92-L131 HydrophobicContact CB-CD1 4.12Å; C92-E134 HydrophobicContact CB-CB 3.76Å |
| 93 | Q | 95.3 | Very high | 91.4 | Very high | 69 Ų | 69 | 53.8 Ų | 53.8 | 32% | 0.322 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 176.4 | -179.3 | 173.2 | 77.2 | 0 | 0 | 111.8 | T89 R90 G91 R96 K97 E134 | T89-Q93 WeakPolarHBondContact O-CB 3.45Å; T89-Q93 PolarHBondContact O-N 3.08Å; R90-Q93 PolarHBondContact O-N 3.16Å; G91-Q93 PolarHBondContact O-N 2.94Å; Q93-R96 PolarHBondContact O-N 3.17Å; Q93-K97 HydrophobicContact CG-CD 4.14Å; Q93-K97 HydrophobicContact CG-CG 4.43Å; Q93-K97 WeakPolarHBondContact O-CB 3.43Å; Q93-K97 VanDerWaalsContact O-CG 3.31Å; Q93-K97 WeakPolarHBondContact O-CG 3.44Å; Q93-K97 PolarHBondContact O-N 2.91Å; Q93-E134 WeakPolarHBondContact CA-OE2 3.44Å; Q93-E134 HydrophobicContact CB-CG 4.09Å; Q93-E134 VanDerWaalsContact CG-OE1 3.3Å; Q93-E134 WeakPolarHBondContact CG-OE1 3.36Å; Q93-E134 PolarHBondContact NE2-OE1 2.97Å |
| 94 | A | 94.8 | Very high | 90.7 | Very high | 15 Ų | 15 | 53.4 Ų | 53.4 | 12% | 0.124 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.8 | -43 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F71 I76 R90 G91 C92 K97 L98 | F71-A94 HydrophobicContact CD1-CB 3.81Å; F71-A94 HydrophobicContact CE1-CB 4.22Å; F71-A94 HydrophobicContact CG-CB 4.35Å; I76-A94 HydrophobicContact CD1-CB 4.27Å; I76-A94 HydrophobicContact CG1-CB 3.83Å; R90-A94 WeakPolarHBondContact O-CB 3.46Å; R90-A94 PolarHBondContact O-N 3.12Å; G91-A94 PolarHBondContact O-N 3.16Å; C92-A94 PolarHBondContact O-N 3.49Å; A94-K97 PolarHBondContact O-N 3.46Å; A94-L98 VanDerWaalsContact O-CB 3.29Å; A94-L98 WeakPolarHBondContact O-CB 3.32Å; A94-L98 PolarHBondContact O-N 3.2Å |
| 95 | A | 94.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58 | -52.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I76 G91 C92 K97 L98 L99 F119 | I76-A95 HydrophobicContact CG2-CB 3.81Å; G91-A95 PolarHBondContact O-N 3.4Å; C92-A95 WeakPolarHBondContact O-CB 3.2Å; C92-A95 PolarHBondContact O-N 3.06Å; A95-K97 PolarHBondContact O-N 3.11Å; A95-L98 PolarHBondContact O-N 3.49Å; A95-L99 WeakPolarHBondContact O-CB 3.38Å; A95-L99 WeakPolarHBondContact O-CG 3.35Å; A95-L99 PolarHBondContact O-N 3.03Å; A95-F119 HydrophobicContact CB-CE1 4.34Å; A95-F119 HydrophobicContact CB-CZ 3.72Å |
| 96 | R | 94.1 | Very high | 90.1 | Very high | 12 Ų | 12 | 47.2 Ų | 47.2 | 5% | 0.045 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.5 | -50.8 | 177.3 | -179.9 | -150.3 | 53.7 | 97 | -15.5 | 111.4 | L52 C92 Q93 L98 L99 S100 E134 W137 | L52-R96 VanDerWaalsContact CD1-NH1 3.31Å; C92-R96 PolarHBondContact O-N 2.83Å; Q93-R96 PolarHBondContact O-N 3.17Å; R96-L98 VanDerWaalsContact C-N 3.3Å; R96-L98 PolarHBondContact O-N 3.37Å; R96-L99 PolarHBondContact O-N 3.48Å; R96-L99 VanDerWaalsContact O-N 3.16Å; R96-S100 WeakPolarHBondContact O-CB 3.32Å; R96-S100 PolarHBondContact O-N 3.47Å; R96-S100 PolarHBondContact O-OG 3.28Å; R96-E134 WeakPolarHBondContact CD-OE2 3.41Å; R96-E134 IonicContact CZ-OE2 3.54Å; R96-E134 IonicContact NE-OE1 2.9Å; R96-E134 IonicContact NE-OE2 2.57Å; R96-E134 PolarHBondContact NE-OE2 3.39Å; R96-W137 HydrophobicContact CG-CB 3.89Å; R96-W137 HydrophobicContact CG-CD2 3.89Å; R96-W137 HydrophobicContact CG-CE3 4.37Å; R96-W137 HydrophobicContact CG-CG 3.65Å |
| 97 | K | 92.2 | Very high | 90 | Very high | 63 Ų | 63 | 41.5 Ų | 41.5 | 27% | 0.274 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.2 | -43.1 | 179.5 | -74.9 | 178.5 | 179.6 | 173.4 | 0 | 111.2 | F71 Q93 A94 A95 S100 K101 | F71-K97 HydrophobicContact CD2-CB 4.35Å; F71-K97 HydrophobicContact CE2-CB 3.69Å; F71-K97 HydrophobicContact CE2-CD 4.18Å; F71-K97 HydrophobicContact CZ-CB 4.12Å; F71-K97 HydrophobicContact CZ-CD 3.76Å; Q93-K97 HydrophobicContact CG-CD 4.14Å; Q93-K97 HydrophobicContact CG-CG 4.43Å; Q93-K97 WeakPolarHBondContact O-CB 3.43Å; Q93-K97 VanDerWaalsContact O-CG 3.31Å; Q93-K97 WeakPolarHBondContact O-CG 3.44Å; Q93-K97 PolarHBondContact O-N 2.91Å; A94-K97 PolarHBondContact O-N 3.46Å; A95-K97 PolarHBondContact O-N 3.11Å; K97-S100 PolarHBondContact O-N 3.07Å; K97-K101 WeakPolarHBondContact O-CG 3.37Å; K97-K101 PolarHBondContact O-N 3.45Å |
| 98 | L | 91.8 | Very high | 89.8 | Confident | 25 Ų | 25 | 46 Ų | 46 | 13% | 0.131 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.1 | -44 | 176.4 | -177.6 | 63 | 0 | 0 | 0 | 111.5 | I73 I76 A94 A95 R96 S100 K101 P106 I110 | I73-L98 HydrophobicContact CD1-CD2 4.46Å; I73-L98 HydrophobicContact CG1-CD2 3.93Å; I76-L98 HydrophobicContact CD1-CB 4.45Å; I76-L98 HydrophobicContact CD1-CD2 3.74Å; A94-L98 VanDerWaalsContact O-CB 3.29Å; A94-L98 WeakPolarHBondContact O-CB 3.32Å; A94-L98 PolarHBondContact O-N 3.2Å; A95-L98 PolarHBondContact O-N 3.49Å; R96-L98 VanDerWaalsContact C-N 3.3Å; R96-L98 PolarHBondContact O-N 3.37Å; L98-S100 VanDerWaalsContact C-N 3.32Å; L98-S100 PolarHBondContact O-N 2.98Å; L98-K101 PolarHBondContact O-N 2.91Å; L98-P106 HydrophobicContact CD1-CG 3.96Å; L98-P106 HydrophobicContact CD2-CG 3.73Å; L98-P106 HydrophobicContact CG-CG 3.62Å; L98-I110 HydrophobicContact CD2-CD1 4.41Å |
| 99 | L | 90 | Very high | 89.6 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -73.8 | -19.6 | -178.7 | -67 | 178.6 | 0 | 0 | 0 | 114.4 | A95 R96 P105 L107 I110 A138 N141 I142 | A95-L99 WeakPolarHBondContact O-CB 3.38Å; A95-L99 WeakPolarHBondContact O-CG 3.35Å; A95-L99 PolarHBondContact O-N 3.03Å; R96-L99 PolarHBondContact O-N 3.48Å; R96-L99 VanDerWaalsContact O-N 3.16Å; L99-P105 WeakPolarHBondContact O-CB 3.39Å; L99-P105 WeakPolarHBondContact O-CG 3.41Å; L99-L107 HydrophobicContact CD2-CD2 3.63Å; L99-I110 HydrophobicContact CD1-CG2 4.43Å; L99-I110 HydrophobicContact CD2-CB 4.4Å; L99-I110 HydrophobicContact CD2-CG1 3.85Å; L99-I110 HydrophobicContact CG-CG1 4.33Å; L99-A138 HydrophobicContact CD1-CB 4.31Å; L99-N141 HydrophobicContact CB-CB 3.83Å; L99-N141 HydrophobicContact CD1-CB 4.38Å; L99-I142 HydrophobicContact CD1-CD1 4.14Å; L99-I142 HydrophobicContact CD1-CG1 3.75Å |
| 100 | S | 87 | Confident | 89.6 | Confident | 17 Ų | 17 | 49 Ų | 49 | 12% | 0.119 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -87.6 | -11.1 | 174.6 | -79.3 | 0 | 0 | 0 | 0 | 113.5 | N49 R96 K97 L98 N141 | N49-S100 PolarHBondContact O-OG 2.9Å; R96-S100 WeakPolarHBondContact O-CB 3.32Å; R96-S100 PolarHBondContact O-N 3.47Å; R96-S100 PolarHBondContact O-OG 3.28Å; K97-S100 PolarHBondContact O-N 3.07Å; L98-S100 VanDerWaalsContact C-N 3.32Å; L98-S100 PolarHBondContact O-N 2.98Å; S100-N141 PolarHBondContact OG-ND2 2.93Å |
| 101 | K | 80.4 | Confident | 89.5 | Confident | 103 Ų | 103 | 43.9 Ų | 43.9 | 45% | 0.448 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -82.3 | 133.2 | -176.7 | -81.4 | 175.6 | -178.6 | -173.2 | 0 | 112.3 | L69 K97 L98 | L69-K101 PolarHBondContact O-NZ 3.45Å; K97-K101 WeakPolarHBondContact O-CG 3.37Å; K97-K101 PolarHBondContact O-N 3.45Å; L98-K101 PolarHBondContact O-N 2.91Å |
| 102 | G | 68.4 | Low | 89.4 | Confident | 53 Ų | 53 | 48.5 Ų | 48.5 | 55% | 0.546 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 71 | -173.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | R48 | R48-G102 PolarHBondContact NH2-O 3.22Š|
| 103 | N | 71.7 | Confident | 89.3 | Confident | 150 Ų | 150 | 49.9 Ų | 49.9 | 80% | 0.802 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -83.2 | -30 | 178.5 | -75.6 | -19.7 | 0 | 0 | 0 | 112.4 | R48 P105 | R48-N103 PolarHBondContact NH1-O 2.84Å; R48-N103 VanDerWaalsContact NH2-C 3.3Å; R48-N103 PolarHBondContact NH2-O 2.99Å; N103-P105 WeakPolarHBondContact O-CD 3.5Å |
| 104 | D | 78.9 | Confident | 89.3 | Confident | 154 Ų | 154 | 48.7 Ų | 48.7 | 82% | 0.824 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -126 | 78 | -175.8 | -164.1 | 31.9 | 0 | 0 | 0 | 111.3 | ||
| 105 | P | 86.9 | Confident | 89.4 | Confident | 8 Ų | 8 | 48 Ų | 48 | 5% | 0.052 | 27% | 0.27 | C | S | . | . | trans | -71.3 | 153.7 | 178 | 27.2 | -31.3 | 0 | 0 | 0 | 111.2 | L99 N103 L107 | L99-P105 WeakPolarHBondContact O-CB 3.39Å; L99-P105 WeakPolarHBondContact O-CG 3.41Å; N103-P105 WeakPolarHBondContact O-CD 3.5Å; P105-L107 HydrophobicContact CB-CD2 4.46Å; P105-L107 HydrophobicContact CG-CD1 4.47Å; P105-L107 HydrophobicContact CG-CD2 4.02Å; P105-L107 HydrophobicContact CG-CG 4Å; P105-L107 PolarHBondContact O-N 3.44Å | ||
| 106 | P | 91.2 | Very high | 89.5 | Confident | 32 Ų | 32 | 48 Ų | 48 | 21% | 0.208 | 27% | 0.27 | C | S | . | . | trans | -76.5 | 63.5 | -177.6 | 33.5 | -36.9 | 0 | 0 | 0 | 112 | I73 L98 E109 I110 | I73-P106 HydrophobicContact CD1-CB 4.48Å; L98-P106 HydrophobicContact CD1-CG 3.96Å; L98-P106 HydrophobicContact CD2-CG 3.73Å; L98-P106 HydrophobicContact CG-CG 3.62Å; P106-E109 WeakPolarHBondContact CA-OE2 3.35Å; P106-E109 HydrophobicContact CB-CB 4.21Å; P106-E109 HydrophobicContact CB-CG 4.23Å; P106-E109 WeakPolarHBondContact CB-OE2 3.49Å; P106-I110 WeakPolarHBondContact O-CG1 3.34Å; P106-I110 PolarHBondContact O-N 3.29Å | ||
| 107 | L | 92.8 | Very high | 89.6 | Confident | 13 Ų | 13 | 50.7 Ų | 50.7 | 7% | 0.068 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65 | -44.9 | -177.4 | -60.5 | 173.4 | 0 | 0 | 0 | 110.4 | L99 P105 E109 I110 V111 I142 H149 | L99-L107 HydrophobicContact CD2-CD2 3.63Å; P105-L107 HydrophobicContact CB-CD2 4.46Å; P105-L107 HydrophobicContact CG-CD1 4.47Å; P105-L107 HydrophobicContact CG-CD2 4.02Å; P105-L107 HydrophobicContact CG-CG 4Å; P105-L107 PolarHBondContact O-N 3.44Å; L107-E109 VanDerWaalsContact C-N 3.34Å; L107-E109 PolarHBondContact O-N 3.48Å; L107-I110 PolarHBondContact O-N 2.82Å; L107-V111 WeakPolarHBondContact O-CG2 3.1Å; L107-V111 PolarHBondContact O-N 3.05Å; L107-V111 VanDerWaalsContact O-N 3.1Å; L107-I142 HydrophobicContact CD2-CG1 4.4Å; L107-H149 VanDerWaalsContact CB-CD2 3.43Å; L107-H149 WeakPolarHBondContact CB-CD2 3.32Å; L107-H149 VanDerWaalsContact CB-NE2 3.3Å; L107-H149 WeakPolarHBondContact CB-NE2 3.45Å |
| 108 | K | 93.3 | Very high | 89.9 | Confident | 100 Ų | 100 | 50.2 Ų | 50.2 | 44% | 0.435 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.9 | -40.7 | -176.8 | -170.1 | -172.3 | -174.2 | -49.7 | 0 | 111 | I110 V111 D112 W148 | K108-I110 PolarHBondContact O-N 3.4Å; K108-V111 PolarHBondContact O-N 2.95Å; K108-D112 IonicContact NZ-OD1 2.96Å; K108-D112 PolarHBondContact NZ-OD1 2.72Å; K108-D112 IonicContact NZ-OD2 2.8Å; K108-D112 PolarHBondContact NZ-OD2 2.73Å; K108-D112 WeakPolarHBondContact O-CB 3.13Å; K108-D112 VanDerWaalsContact O-CG 3.23Å; K108-D112 PolarHBondContact O-N 3.2Å; K108-W148 HydrophobicContact CB-CZ3 4.27Å; K108-W148 HydrophobicContact CG-CH2 3.83Å; K108-W148 HydrophobicContact CG-CZ3 3.88Å |
| 109 | E | 94 | Very high | 90.2 | Very high | 96 Ų | 96 | 49 Ų | 49 | 45% | 0.449 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.5 | -40.2 | -179.8 | -62.7 | 77.5 | -175.6 | 0 | 0 | 111.5 | I73 P106 L107 V111 A113 | I73-E109 HydrophobicContact CD1-CB 3.48Å; I73-E109 VanDerWaalsContact CD1-CB 3.48Å; I73-E109 HydrophobicContact CD1-CG 4.16Å; P106-E109 WeakPolarHBondContact CA-OE2 3.35Å; P106-E109 HydrophobicContact CB-CB 4.21Å; P106-E109 HydrophobicContact CB-CG 4.23Å; P106-E109 WeakPolarHBondContact CB-OE2 3.49Å; L107-E109 VanDerWaalsContact C-N 3.34Å; L107-E109 PolarHBondContact O-N 3.48Å; E109-V111 VanDerWaalsContact C-N 3.35Å; E109-A113 WeakPolarHBondContact O-CB 3.33Å; E109-A113 PolarHBondContact O-N 2.76Å |
| 110 | I | 94.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.7 | -38.5 | 174.5 | -68.5 | -65.6 | 0 | 0 | 0 | 111.6 | I76 L98 L99 P106 L107 K108 L115 F119 I142 | I76-I110 HydrophobicContact CD1-CD1 4.44Å; I76-I110 HydrophobicContact CG2-CD1 4.49Å; L98-I110 HydrophobicContact CD2-CD1 4.41Å; L99-I110 HydrophobicContact CD1-CG2 4.43Å; L99-I110 HydrophobicContact CD2-CB 4.4Å; L99-I110 HydrophobicContact CD2-CG1 3.85Å; L99-I110 HydrophobicContact CG-CG1 4.33Å; P106-I110 WeakPolarHBondContact O-CG1 3.34Å; P106-I110 PolarHBondContact O-N 3.29Å; L107-I110 PolarHBondContact O-N 2.82Å; K108-I110 PolarHBondContact O-N 3.4Å; I110-L115 HydrophobicContact CD1-CD1 4.06Å; I110-L115 HydrophobicContact CG2-CB 4.48Å; I110-L115 HydrophobicContact CG2-CD1 4.34Å; I110-F119 HydrophobicContact CG2-CE2 3.85Å; I110-F119 HydrophobicContact CG2-CZ 4.42Å; I110-I142 HydrophobicContact CG2-CD1 3.9Å |
| 111 | V | 94.4 | Very high | 91.1 | Very high | 10 Ų | 10 | 51.6 Ų | 51.6 | 6% | 0.061 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.3 | -50.4 | 175.5 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | L107 K108 E109 A113 G114 L116 I142 W148 Q152 | L107-V111 WeakPolarHBondContact O-CG2 3.1Å; L107-V111 PolarHBondContact O-N 3.05Å; L107-V111 VanDerWaalsContact O-N 3.1Å; K108-V111 PolarHBondContact O-N 2.95Å; E109-V111 VanDerWaalsContact C-N 3.35Å; V111-A113 PolarHBondContact O-N 3.44Å; V111-G114 PolarHBondContact O-N 3.09Å; V111-L116 HydrophobicContact CB-CD1 4.06Å; V111-L116 HydrophobicContact CG1-CD1 3.71Å; V111-L116 HydrophobicContact CG2-CD1 3.79Å; V111-I142 HydrophobicContact CG2-CG2 3.91Å; V111-W148 HydrophobicContact CB-CH2 4Å; V111-W148 HydrophobicContact CB-CZ3 4.3Å; V111-W148 HydrophobicContact CG1-CH2 3.51Å; V111-W148 HydrophobicContact CG1-CZ2 4.15Å; V111-W148 HydrophobicContact CG1-CZ3 4.15Å; V111-W148 HydrophobicContact CG2-CZ3 4.44Å; V111-Q152 HydrophobicContact CG1-CB 4.06Å; V111-Q152 HydrophobicContact CG1-CG 3.84Å |
| 112 | D | 95.2 | Very high | 92 | Very high | 99 Ų | 99 | 46.9 Ų | 46.9 | 53% | 0.529 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.7 | -28.2 | -179.9 | -70.1 | -9.9 | 0 | 0 | 0 | 112 | K108 G114 | K108-D112 IonicContact NZ-OD1 2.96Å; K108-D112 PolarHBondContact NZ-OD1 2.72Å; K108-D112 IonicContact NZ-OD2 2.8Å; K108-D112 PolarHBondContact NZ-OD2 2.73Å; K108-D112 WeakPolarHBondContact O-CB 3.13Å; K108-D112 VanDerWaalsContact O-CG 3.23Å; K108-D112 PolarHBondContact O-N 3.2Å; D112-G114 PolarHBondContact O-N 3.11Å |
| 113 | A | 94.3 | Very high | 93.3 | Very high | 29 Ų | 29 | 44.5 Ų | 44.5 | 24% | 0.24 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -4.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | I73 I77 E109 V111 L115 | I73-A113 HydrophobicContact CG2-CB 4.48Å; I77-A113 HydrophobicContact CD1-CB 3.66Å; I77-A113 HydrophobicContact CG1-CB 3.85Å; E109-A113 WeakPolarHBondContact O-CB 3.33Å; E109-A113 PolarHBondContact O-N 2.76Å; V111-A113 PolarHBondContact O-N 3.44Å; A113-L115 VanDerWaalsContact C-N 3.32Å; A113-L115 HydrophobicContact CB-CD1 4.27Å; A113-L115 HydrophobicContact CB-CG 4Å; A113-L115 PolarHBondContact O-N 3.41Å |
| 114 | G | 94.7 | Very high | 94.4 | Very high | 43 Ų | 43 | 41 Ų | 41 | 44% | 0.443 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 16.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | V111 D112 L116 | V111-G114 PolarHBondContact O-N 3.09Å; D112-G114 PolarHBondContact O-N 3.11Å; G114-L116 VanDerWaalsContact C-N 3.34Å; G114-L116 PolarHBondContact O-N 3.02Å |
| 115 | L | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -77.1 | -17.1 | -172.6 | -58.7 | -178.8 | 0 | 0 | 0 | 114.2 | I76 I77 V80 I110 A113 S117 Q118 F119 | I76-L115 HydrophobicContact CG2-CD1 3.75Å; I77-L115 HydrophobicContact CB-CD2 4.46Å; I77-L115 HydrophobicContact CG1-CD1 4.23Å; I77-L115 HydrophobicContact CG1-CD2 4.11Å; I77-L115 HydrophobicContact CG1-CG 4.44Å; V80-L115 HydrophobicContact CB-CD2 4.18Å; V80-L115 HydrophobicContact CG1-CD2 3.92Å; I110-L115 HydrophobicContact CD1-CD1 4.06Å; I110-L115 HydrophobicContact CG2-CB 4.48Å; I110-L115 HydrophobicContact CG2-CD1 4.34Å; A113-L115 VanDerWaalsContact C-N 3.32Å; A113-L115 HydrophobicContact CB-CD1 4.27Å; A113-L115 HydrophobicContact CB-CG 4Å; A113-L115 PolarHBondContact O-N 3.41Å; L115-S117 PolarHBondContact O-N 3.24Å; L115-Q118 PolarHBondContact O-N 3.09Å; L115-Q118 VanDerWaalsContact O-N 3.12Å; L115-F119 HydrophobicContact CB-CD2 4.34Å; L115-F119 HydrophobicContact CB-CE1 4.27Å; L115-F119 HydrophobicContact CB-CE2 3.75Å; L115-F119 HydrophobicContact CB-CZ 3.71Å; L115-F119 HydrophobicContact CD1-CZ 4.1Å; L115-F119 WeakPolarHBondContact O-CG 3.38Å; L115-F119 PolarHBondContact O-N 3.15Å | ||
| 116 | L | 97.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.7 | -47.1 | -177.6 | -80.7 | 153 | 0 | 0 | 0 | 113.1 | V111 G114 Q118 F119 V120 L139 I142 Q152 V153 H156 | V111-L116 HydrophobicContact CB-CD1 4.06Å; V111-L116 HydrophobicContact CG1-CD1 3.71Å; V111-L116 HydrophobicContact CG2-CD1 3.79Å; G114-L116 VanDerWaalsContact C-N 3.34Å; G114-L116 PolarHBondContact O-N 3.02Å; L116-Q118 PolarHBondContact O-N 3.07Å; L116-F119 PolarHBondContact O-N 2.85Å; L116-V120 WeakPolarHBondContact O-CG2 3.48Å; L116-V120 PolarHBondContact O-N 2.72Å; L116-L139 HydrophobicContact CD2-CD2 3.69Å; L116-I142 HydrophobicContact CD2-CD1 4.14Å; L116-Q152 HydrophobicContact CD1-CB 3.94Å; L116-V153 HydrophobicContact CD2-CG2 3.89Å; L116-H156 HydrophobicContact CB-CB 4.01Å |
| 117 | S | 96.8 | Very high | 95.6 | Very high | 70 Ų | 70 | 45.8 Ų | 45.8 | 49% | 0.49 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.4 | -38 | 178.7 | -60.4 | 0 | 0 | 0 | 0 | 111.7 | L115 S121 H156 | L115-S117 PolarHBondContact O-N 3.24Å; S117-S121 PolarHBondContact O-N 3.19Å; S117-H156 PolarHBondContact OG-CD2 3.44Å |
| 118 | Q | 97.8 | Very high | 95.7 | Very high | 52 Ų | 52 | 47.8 Ų | 47.8 | 24% | 0.243 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -76.1 | -41.1 | -179.2 | -162.4 | 60.8 | 25.1 | 0 | 0 | 111.6 | V80 L115 L116 V120 S121 F122 | V80-Q118 HydrophobicContact CG1-CB 3.81Å; V80-Q118 HydrophobicContact CG1-CG 3.56Å; L115-Q118 PolarHBondContact O-N 3.09Å; L115-Q118 VanDerWaalsContact O-N 3.12Å; L116-Q118 PolarHBondContact O-N 3.07Å; Q118-V120 VanDerWaalsContact C-N 3.27Å; Q118-V120 PolarHBondContact O-N 2.78Å; Q118-S121 PolarHBondContact O-N 3.24Å; Q118-S121 PolarHBondContact O-OG 3.36Å; Q118-F122 HydrophobicContact CG-CD2 4.33Å; Q118-F122 HydrophobicContact CG-CE1 3.99Å; Q118-F122 HydrophobicContact CG-CE2 3.63Å; Q118-F122 HydrophobicContact CG-CZ 3.42Å; Q118-F122 VanDerWaalsContact CG-CZ 3.42Å; Q118-F122 VanDerWaalsContact O-CD2 3.25Å; Q118-F122 WeakPolarHBondContact O-CD2 3.29Å; Q118-F122 WeakPolarHBondContact O-CG 3.48Å; Q118-F122 PolarHBondContact O-N 3.21Å |
| 119 | F | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.6 | -39.9 | 172.1 | -61.6 | -27.6 | 0 | 0 | 0 | 112 | V80 A95 I110 L115 L116 F122 L123 A135 A138 L139 I142 | V80-F119 HydrophobicContact CG1-CE1 4.15Å; V80-F119 HydrophobicContact CG2-CE1 3.94Å; A95-F119 HydrophobicContact CB-CE1 4.34Å; A95-F119 HydrophobicContact CB-CZ 3.72Å; I110-F119 HydrophobicContact CG2-CE2 3.85Å; I110-F119 HydrophobicContact CG2-CZ 4.42Å; L115-F119 HydrophobicContact CB-CD2 4.34Å; L115-F119 HydrophobicContact CB-CE1 4.27Å; L115-F119 HydrophobicContact CB-CE2 3.75Å; L115-F119 HydrophobicContact CB-CZ 3.71Å; L115-F119 HydrophobicContact CD1-CZ 4.1Å; L115-F119 WeakPolarHBondContact O-CG 3.38Å; L115-F119 PolarHBondContact O-N 3.15Å; L116-F119 PolarHBondContact O-N 2.85Å; F119-F122 HydrophobicContact CD1-CD2 4.49Å; F119-F122 PolarHBondContact O-N 2.89Å; F119-L123 WeakPolarHBondContact O-CG 3.27Å; F119-L123 PolarHBondContact O-N 3.23Å; F119-A135 HydrophobicContact CB-CB 4.38Å; F119-A138 HydrophobicContact CD2-CB 4.29Å; F119-A138 HydrophobicContact CE2-CB 4.15Å; F119-A138 HydrophobicContact CZ-CB 4.4Å; F119-L139 HydrophobicContact CB-CD1 4.09Å; F119-L139 HydrophobicContact CB-CD2 3.99Å; F119-L139 HydrophobicContact CB-CG 3.89Å; F119-L139 HydrophobicContact CD2-CD2 4.39Å; F119-I142 HydrophobicContact CD2-CD1 4.46Å; F119-I142 HydrophobicContact CE2-CD1 4.37Å |
| 120 | V | 98.2 | Very high | 96 | Very high | 19 Ų | 19 | 44.1 Ų | 44.1 | 12% | 0.115 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67 | -41.6 | 177.1 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | L116 Q118 F122 L123 L139 A158 A161 | L116-V120 WeakPolarHBondContact O-CG2 3.48Å; L116-V120 PolarHBondContact O-N 2.72Å; Q118-V120 VanDerWaalsContact C-N 3.27Å; Q118-V120 PolarHBondContact O-N 2.78Å; V120-F122 VanDerWaalsContact C-N 3.31Å; V120-F122 PolarHBondContact O-N 3.01Å; V120-L123 WeakPolarHBondContact O-CB 3.48Å; V120-L123 PolarHBondContact O-N 3.38Å; V120-L139 HydrophobicContact CG2-CD1 4.11Å; V120-L139 HydrophobicContact CG2-CD2 4.33Å; V120-A158 HydrophobicContact CG2-CB 3.75Å; V120-A161 HydrophobicContact CG1-CB 4.17Å |
| 121 | S | 97.6 | Very high | 96.1 | Very high | 53 Ų | 53 | 44.1 Ų | 44.1 | 37% | 0.371 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.1 | -37.7 | 177.9 | 72.4 | 0 | 0 | 0 | 0 | 111.9 | S117 Q118 L123 S124 | S117-S121 PolarHBondContact O-N 3.19Å; Q118-S121 PolarHBondContact O-N 3.24Å; Q118-S121 PolarHBondContact O-OG 3.36Å; S121-L123 PolarHBondContact O-N 3.03Å; S121-S124 PolarHBondContact O-N 3.24Å; S121-S124 VanDerWaalsContact O-N 3.16Å |
| 122 | F | 98.1 | Very high | 96.2 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.5 | -26.1 | 175.7 | -66.8 | -24.8 | 0 | 0 | 0 | 114.4 | V80 Q88 C92 Q118 F119 V120 S124 M125 L131 Q132 A135 | V80-F122 HydrophobicContact CG1-CE2 4.05Å; Q88-F122 HydrophobicContact CB-CE1 4.32Å; Q88-F122 HydrophobicContact CB-CE2 4.28Å; Q88-F122 HydrophobicContact CB-CZ 3.73Å; Q88-F122 HydrophobicContact CG-CE1 4.2Å; Q88-F122 HydrophobicContact CG-CZ 3.67Å; C92-F122 WeakPolarHBondContact SG-CD2 3.39Å; C92-F122 WeakPolarHBondContact SG-CE2 3.46Å; Q118-F122 HydrophobicContact CG-CD2 4.33Å; Q118-F122 HydrophobicContact CG-CE1 3.99Å; Q118-F122 HydrophobicContact CG-CE2 3.63Å; Q118-F122 HydrophobicContact CG-CZ 3.42Å; Q118-F122 VanDerWaalsContact CG-CZ 3.42Å; Q118-F122 VanDerWaalsContact O-CD2 3.25Å; Q118-F122 WeakPolarHBondContact O-CD2 3.29Å; Q118-F122 WeakPolarHBondContact O-CG 3.48Å; Q118-F122 PolarHBondContact O-N 3.21Å; F119-F122 HydrophobicContact CD1-CD2 4.49Å; F119-F122 PolarHBondContact O-N 2.89Å; V120-F122 VanDerWaalsContact C-N 3.31Å; V120-F122 PolarHBondContact O-N 3.01Å; F122-S124 PolarHBondContact O-N 3.44Å; F122-M125 WeakPolarHBondContact O-CB 3.48Å; F122-M125 PolarHBondContact O-N 3.36Å; F122-L131 HydrophobicContact CB-CD1 4.47Å; F122-L131 HydrophobicContact CB-CD2 4.38Å; F122-L131 HydrophobicContact CB-CG 4.03Å; F122-L131 HydrophobicContact CD1-CD2 3.73Å; F122-L131 HydrophobicContact CD1-CG 4.24Å; F122-L131 HydrophobicContact CD2-CD1 3.73Å; F122-L131 HydrophobicContact CD2-CD2 4.39Å; F122-L131 HydrophobicContact CD2-CG 4.14Å; F122-L131 HydrophobicContact CE1-CD2 3.99Å; F122-L131 HydrophobicContact CE2-CD1 3.97Å; F122-L131 HydrophobicContact CG-CD1 4.03Å; F122-L131 HydrophobicContact CG-CD2 3.94Å; F122-L131 HydrophobicContact CG-CG 3.9Å; F122-L131 HydrophobicContact CZ-CD1 4.47Å; F122-L131 HydrophobicContact CZ-CD2 4.45Å; F122-Q132 WeakPolarHBondContact O-CG 3.36Å; F122-A135 HydrophobicContact CB-CB 3.81Å; F122-A135 HydrophobicContact CD2-CB 4.32Å |
| 123 | L | 97.6 | Very high | 96.3 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -22.9 | 176.2 | -58 | -173.2 | 0 | 0 | 0 | 113 | F119 V120 S121 Q132 A135 A136 L139 A161 L162 L165 | F119-L123 WeakPolarHBondContact O-CG 3.27Å; F119-L123 PolarHBondContact O-N 3.23Å; V120-L123 WeakPolarHBondContact O-CB 3.48Å; V120-L123 PolarHBondContact O-N 3.38Å; S121-L123 PolarHBondContact O-N 3.03Å; L123-Q132 PolarHBondContact O-NE2 2.99Å; L123-A135 HydrophobicContact CD2-CB 4.06Å; L123-A136 HydrophobicContact CD2-CB 3.75Å; L123-L139 HydrophobicContact CD1-CD1 3.69Å; L123-L139 HydrophobicContact CD2-CD1 4.2Å; L123-L139 HydrophobicContact CG-CD1 4.12Å; L123-A161 HydrophobicContact CB-CB 4.08Å; L123-A161 HydrophobicContact CD1-CB 3.75Å; L123-A161 HydrophobicContact CG-CB 4.5Å; L123-L162 HydrophobicContact CD1-CD2 3.77Å; L123-L162 HydrophobicContact CD1-CG 3.93Å; L123-L165 HydrophobicContact CD2-CD2 4.08Å |
| 124 | S | 94.8 | Very high | 96.5 | Very high | 77 Ų | 77 | 39.4 Ų | 39.4 | 54% | 0.538 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 6.3 | -178.1 | -52.9 | 0 | 0 | 0 | 0 | 113.6 | S121 F122 D126 | S121-S124 PolarHBondContact O-N 3.24Å; S121-S124 VanDerWaalsContact O-N 3.16Å; F122-S124 PolarHBondContact O-N 3.44Å; S124-D126 PolarHBondContact O-N 3.12Å |
| 125 | M | 94.7 | Very high | 96.7 | Very high | 43 Ų | 43 | 37.4 Ų | 37.4 | 21% | 0.212 | 22% | 0.215 | C | C | . | . | trans | -89.8 | 76.4 | -179.6 | -63.2 | -67.5 | -59.2 | 0 | 0 | 110.4 | F122 D127 E128 Q132 | F122-M125 WeakPolarHBondContact O-CB 3.48Å; F122-M125 PolarHBondContact O-N 3.36Å; M125-D127 PolarHBondContact O-N 3.32Å; M125-D127 VanDerWaalsContact O-N 3.14Å; M125-E128 HydrophobicContact CB-CB 4.04Å; M125-E128 HydrophobicContact CB-CG 4.48Å; M125-E128 HydrophobicContact CE-CG 4.31Å; M125-E128 PolarHBondContact O-N 3.02Å; M125-Q132 VanDerWaalsContact O-CG 3.31Å; M125-Q132 WeakPolarHBondContact O-CG 3.46Å; M125-Q132 PolarHBondContact O-NE2 2.95Å | ||
| 126 | D | 91.8 | Very high | 96.7 | Very high | 134 Ų | 134 | 37.4 Ų | 37.4 | 72% | 0.717 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -18.9 | -175.4 | -65.6 | -32 | 0 | 0 | 0 | 114.1 | S124 Q132 | S124-D126 PolarHBondContact O-N 3.12Å; D126-Q132 PolarHBondContact OD1-NE2 3.2Å |
| 127 | D | 94.3 | Very high | 96.7 | Very high | 116 Ų | 116 | 38.1 Ų | 38.1 | 62% | 0.62 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -11.7 | 173.4 | 57.1 | -28.9 | 0 | 0 | 0 | 113.7 | M125 P129 | M125-D127 PolarHBondContact O-N 3.32Å; M125-D127 VanDerWaalsContact O-N 3.14Å; D127-P129 VanDerWaalsContact C-CD 3.48Å; D127-P129 WeakPolarHBondContact O-CD 3.5Å |
| 128 | E | 96.1 | Very high | 96.7 | Very high | 55 Ų | 55 | 34.8 Ų | 34.8 | 26% | 0.257 | 20% | 0.195 | S | C | . | . | trans | -123.6 | 68.7 | -175.3 | -63.7 | -66.6 | 172.5 | 0 | 0 | 112.1 | M125 T130 L131 Q132 | M125-E128 HydrophobicContact CB-CB 4.04Å; M125-E128 HydrophobicContact CB-CG 4.48Å; M125-E128 HydrophobicContact CE-CG 4.31Å; M125-E128 PolarHBondContact O-N 3.02Å; E128-T130 PolarHBondContact O-N 3.37Å; E128-L131 HydrophobicContact CB-CB 3.95Å; E128-L131 HydrophobicContact CB-CD2 4.35Å; E128-L131 WeakPolarHBondContact O-CB 3.34Å; E128-L131 PolarHBondContact O-N 2.9Å; E128-L131 VanDerWaalsContact O-N 3.13Å; E128-Q132 PolarHBondContact O-N 2.71Å | ||
| 129 | P | 95.6 | Very high | 96.7 | Very high | 37 Ų | 37 | 32.4 Ų | 32.4 | 24% | 0.24 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.2 | -36.8 | -171 | 22.5 | -33.9 | 0 | 0 | 0 | 114.3 | D127 L131 Q132 F133 M170 I173 | D127-P129 VanDerWaalsContact C-CD 3.48Å; D127-P129 WeakPolarHBondContact O-CD 3.5Å; P129-L131 VanDerWaalsContact C-N 3.32Å; P129-L131 PolarHBondContact O-N 3.39Å; P129-Q132 PolarHBondContact O-N 3.23Å; P129-F133 WeakPolarHBondContact O-CB 3.35Å; P129-F133 PolarHBondContact O-N 2.69Å; P129-M170 HydrophobicContact CB-CE 4.23Å; P129-M170 HydrophobicContact CB-SD 3.26Å; P129-M170 WeakPolarHBondContact CB-SD 3.19Å; P129-M170 HydrophobicContact CG-SD 4.02Å; P129-I173 HydrophobicContact CB-CD1 3.65Å; P129-I173 WeakPolarHBondContact O-CD1 3.42Å |
| 130 | T | 96.6 | Very high | 96.7 | Very high | 82 Ų | 82 | 32.4 Ų | 32.4 | 50% | 0.503 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64.4 | -40.5 | 177 | -52.2 | 0 | 0 | 0 | 0 | 110.9 | T89 E128 F133 E134 | T89-T130 HydrophobicContact CG2-CG2 3.71Å; E128-T130 PolarHBondContact O-N 3.37Å; T130-F133 PolarHBondContact O-N 3.21Å; T130-E134 WeakPolarHBondContact O-CG 3.45Å; T130-E134 PolarHBondContact O-N 3.44Å |
| 131 | L | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.9 | -44.3 | 177.2 | -177.8 | 57.9 | 0 | 0 | 0 | 111.1 | Q88 C92 F122 E128 P129 F133 E134 A135 | Q88-L131 HydrophobicContact CB-CD1 4.15Å; Q88-L131 HydrophobicContact CB-CD2 4.22Å; C92-L131 HydrophobicContact CB-CD1 4.12Å; F122-L131 HydrophobicContact CB-CD1 4.47Å; F122-L131 HydrophobicContact CB-CD2 4.38Å; F122-L131 HydrophobicContact CB-CG 4.03Å; F122-L131 HydrophobicContact CD1-CD2 3.73Å; F122-L131 HydrophobicContact CD1-CG 4.24Å; F122-L131 HydrophobicContact CD2-CD1 3.73Å; F122-L131 HydrophobicContact CD2-CD2 4.39Å; F122-L131 HydrophobicContact CD2-CG 4.14Å; F122-L131 HydrophobicContact CE1-CD2 3.99Å; F122-L131 HydrophobicContact CE2-CD1 3.97Å; F122-L131 HydrophobicContact CG-CD1 4.03Å; F122-L131 HydrophobicContact CG-CD2 3.94Å; F122-L131 HydrophobicContact CG-CG 3.9Å; F122-L131 HydrophobicContact CZ-CD1 4.47Å; F122-L131 HydrophobicContact CZ-CD2 4.45Å; E128-L131 HydrophobicContact CB-CB 3.95Å; E128-L131 HydrophobicContact CB-CD2 4.35Å; E128-L131 WeakPolarHBondContact O-CB 3.34Å; E128-L131 PolarHBondContact O-N 2.9Å; E128-L131 VanDerWaalsContact O-N 3.13Å; P129-L131 VanDerWaalsContact C-N 3.32Å; P129-L131 PolarHBondContact O-N 3.39Å; L131-F133 VanDerWaalsContact C-N 3.3Å; L131-F133 PolarHBondContact O-N 3.34Å; L131-E134 PolarHBondContact O-N 2.93Å; L131-A135 VanDerWaalsContact O-CB 3.24Å; L131-A135 WeakPolarHBondContact O-CB 3.47Å; L131-A135 PolarHBondContact O-N 3.25Å |
| 132 | Q | 97.5 | Very high | 96.5 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.019 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -54.6 | -47.3 | 173.1 | -76 | -178 | -45.4 | 0 | 0 | 111.3 | F122 L123 M125 D126 E128 P129 A136 I173 | F122-Q132 WeakPolarHBondContact O-CG 3.36Å; L123-Q132 PolarHBondContact O-NE2 2.99Å; M125-Q132 VanDerWaalsContact O-CG 3.31Å; M125-Q132 WeakPolarHBondContact O-CG 3.46Å; M125-Q132 PolarHBondContact O-NE2 2.95Å; D126-Q132 PolarHBondContact OD1-NE2 3.2Å; E128-Q132 PolarHBondContact O-N 2.71Å; P129-Q132 PolarHBondContact O-N 3.23Å; Q132-A136 VanDerWaalsContact O-CB 3.22Å; Q132-A136 WeakPolarHBondContact O-CB 3.19Å; Q132-A136 PolarHBondContact O-N 2.78Å; Q132-I173 HydrophobicContact CB-CD1 4.29Å; Q132-I173 HydrophobicContact CB-CG2 4.27Å |
| 133 | F | 97.3 | Very high | 96.4 | Very high | 26 Ų | 26 | 28.8 Ų | 28.8 | 11% | 0.114 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.7 | -51.9 | -179.6 | 179.6 | -111.3 | 0 | 0 | 0 | 112.5 | P129 T130 L131 A135 A136 W137 H172 I173 Q176 | P129-F133 WeakPolarHBondContact O-CB 3.35Å; P129-F133 PolarHBondContact O-N 2.69Å; T130-F133 PolarHBondContact O-N 3.21Å; L131-F133 VanDerWaalsContact C-N 3.3Å; L131-F133 PolarHBondContact O-N 3.34Å; F133-A135 VanDerWaalsContact C-N 3.35Å; F133-A135 PolarHBondContact O-N 3.38Å; F133-A136 PolarHBondContact O-N 3.46Å; F133-W137 HydrophobicContact CD1-CE3 4.36Å; F133-W137 AromaticContact CE1-CE3 3.43Å; F133-W137 HydrophobicContact CE1-CE3 3.43Å; F133-W137 VanDerWaalsContact CE1-CE3 3.43Å; F133-W137 AromaticContact CE1-CZ3 3.59Å; F133-W137 HydrophobicContact CE1-CZ3 3.59Å; F133-W137 HydrophobicContact CE2-CE3 4.14Å; F133-W137 HydrophobicContact CZ-CD2 4.45Å; F133-W137 AromaticContact CZ-CE3 3.3Å; F133-W137 HydrophobicContact CZ-CE3 3.3Å; F133-W137 AromaticContact CZ-CZ3 3.43Å; F133-W137 HydrophobicContact CZ-CZ3 3.43Å; F133-W137 VanDerWaalsContact CZ-CZ3 3.43Å; F133-W137 WeakPolarHBondContact O-CB 3.46Å; F133-W137 PolarHBondContact O-N 2.97Å; F133-H172 AromaticContact CD2-CD2 3.59Å; F133-H172 HydrophobicContact CE2-CB 4.37Å; F133-H172 AromaticContact CE2-CD2 3.95Å; F133-H172 AromaticContact CG-CD2 3.99Å; F133-I173 HydrophobicContact CB-CG1 4.2Å; F133-Q176 HydrophobicContact CD2-CB 4.32Å; F133-Q176 HydrophobicContact CE2-CB 4.34Å |
| 134 | E | 97.6 | Very high | 96.2 | Very high | 10 Ų | 10 | 29.5 Ų | 29.5 | 5% | 0.047 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.2 | -40.1 | -178.4 | -66.8 | -74.3 | -171.7 | 0 | 0 | 111.3 | C92 Q93 R96 T130 L131 W137 A138 | C92-E134 HydrophobicContact CB-CB 3.76Å; Q93-E134 WeakPolarHBondContact CA-OE2 3.44Å; Q93-E134 HydrophobicContact CB-CG 4.09Å; Q93-E134 VanDerWaalsContact CG-OE1 3.3Å; Q93-E134 WeakPolarHBondContact CG-OE1 3.36Å; Q93-E134 PolarHBondContact NE2-OE1 2.97Å; R96-E134 WeakPolarHBondContact CD-OE2 3.41Å; R96-E134 IonicContact CZ-OE2 3.54Å; R96-E134 IonicContact NE-OE1 2.9Å; R96-E134 IonicContact NE-OE2 2.57Å; R96-E134 PolarHBondContact NE-OE2 3.39Å; T130-E134 WeakPolarHBondContact O-CG 3.45Å; T130-E134 PolarHBondContact O-N 3.44Å; L131-E134 PolarHBondContact O-N 2.93Å; E134-W137 PolarHBondContact O-N 3.34Å; E134-A138 WeakPolarHBondContact O-CB 3.43Å; E134-A138 PolarHBondContact O-N 2.93Å |
| 135 | A | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.4 | -45.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F119 F122 L123 L131 F133 W137 A138 L139 | F119-A135 HydrophobicContact CB-CB 4.38Å; F122-A135 HydrophobicContact CB-CB 3.81Å; F122-A135 HydrophobicContact CD2-CB 4.32Å; L123-A135 HydrophobicContact CD2-CB 4.06Å; L131-A135 VanDerWaalsContact O-CB 3.24Å; L131-A135 WeakPolarHBondContact O-CB 3.47Å; L131-A135 PolarHBondContact O-N 3.25Å; F133-A135 VanDerWaalsContact C-N 3.35Å; F133-A135 PolarHBondContact O-N 3.38Å; A135-W137 VanDerWaalsContact C-N 3.28Å; A135-W137 PolarHBondContact O-N 3.27Å; A135-A138 PolarHBondContact O-N 3.46Å; A135-L139 WeakPolarHBondContact O-CG 3.43Å; A135-L139 PolarHBondContact O-N 3.32Å |
| 136 | A | 98 | Very high | 96 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.9 | -39 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L123 Q132 F133 T140 L165 Q176 | L123-A136 HydrophobicContact CD2-CB 3.75Å; Q132-A136 VanDerWaalsContact O-CB 3.22Å; Q132-A136 WeakPolarHBondContact O-CB 3.19Å; Q132-A136 PolarHBondContact O-N 2.78Å; F133-A136 PolarHBondContact O-N 3.46Å; A136-T140 WeakPolarHBondContact O-CB 3.41Å; A136-T140 PolarHBondContact O-N 3.01Å; A136-T140 PolarHBondContact O-OG1 3.33Å; A136-L165 HydrophobicContact CB-CD2 3.95Å; A136-Q176 HydrophobicContact CB-CB 4.08Å; A136-Q176 HydrophobicContact CB-CG 3.66Å |
| 137 | W | 97.2 | Very high | 96.1 | Very high | 16 Ų | 16 | 25.3 Ų | 25.3 | 6% | 0.061 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -71 | -42.6 | 178.5 | -160.5 | -17.8 | 0 | 0 | 0 | 111.7 | N49 R96 F133 E134 A135 L139 T140 N141 Q176 | N49-W137 HydrophobicContact CB-CZ2 4.06Å; N49-W137 WeakPolarHBondContact ND2-CZ2 3.45Å; R96-W137 HydrophobicContact CG-CB 3.89Å; R96-W137 HydrophobicContact CG-CD2 3.89Å; R96-W137 HydrophobicContact CG-CE3 4.37Å; R96-W137 HydrophobicContact CG-CG 3.65Å; F133-W137 HydrophobicContact CD1-CE3 4.36Å; F133-W137 AromaticContact CE1-CE3 3.43Å; F133-W137 HydrophobicContact CE1-CE3 3.43Å; F133-W137 VanDerWaalsContact CE1-CE3 3.43Å; F133-W137 AromaticContact CE1-CZ3 3.59Å; F133-W137 HydrophobicContact CE1-CZ3 3.59Å; F133-W137 HydrophobicContact CE2-CE3 4.14Å; F133-W137 HydrophobicContact CZ-CD2 4.45Å; F133-W137 AromaticContact CZ-CE3 3.3Å; F133-W137 HydrophobicContact CZ-CE3 3.3Å; F133-W137 AromaticContact CZ-CZ3 3.43Å; F133-W137 HydrophobicContact CZ-CZ3 3.43Å; F133-W137 VanDerWaalsContact CZ-CZ3 3.43Å; F133-W137 WeakPolarHBondContact O-CB 3.46Å; F133-W137 PolarHBondContact O-N 2.97Å; E134-W137 PolarHBondContact O-N 3.34Å; A135-W137 VanDerWaalsContact C-N 3.28Å; A135-W137 PolarHBondContact O-N 3.27Å; W137-L139 VanDerWaalsContact C-N 3.33Å; W137-L139 PolarHBondContact O-N 3.1Å; W137-T140 WeakPolarHBondContact O-CB 3.37Å; W137-T140 PolarHBondContact O-N 3.28Å; W137-T140 VanDerWaalsContact O-N 3.12Å; W137-N141 PolarHBondContact O-N 2.92Å; W137-Q176 HydrophobicContact CB-CG 3.85Å; W137-Q176 HydrophobicContact CG-CG 4.39Å |
| 138 | A | 97.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -55.4 | -48.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L99 F119 E134 A135 T140 N141 I142 | L99-A138 HydrophobicContact CD1-CB 4.31Å; F119-A138 HydrophobicContact CD2-CB 4.29Å; F119-A138 HydrophobicContact CE2-CB 4.15Å; F119-A138 HydrophobicContact CZ-CB 4.4Å; E134-A138 WeakPolarHBondContact O-CB 3.43Å; E134-A138 PolarHBondContact O-N 2.93Å; A135-A138 PolarHBondContact O-N 3.46Å; A138-T140 VanDerWaalsContact C-N 3.33Å; A138-T140 PolarHBondContact O-N 2.89Å; A138-N141 PolarHBondContact O-N 3.16Å; A138-I142 WeakPolarHBondContact O-CG1 3.32Å; A138-I142 PolarHBondContact O-N 3.15Å; A138-I142 VanDerWaalsContact O-N 3.08Å |
| 139 | L | 98 | Very high | 96.3 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.2 | -38.9 | 175.7 | -70.5 | 169.9 | 0 | 0 | 0 | 112.8 | L116 F119 V120 L123 A135 W137 N141 I142 A143 V153 A158 | L116-L139 HydrophobicContact CD2-CD2 3.69Å; F119-L139 HydrophobicContact CB-CD1 4.09Å; F119-L139 HydrophobicContact CB-CD2 3.99Å; F119-L139 HydrophobicContact CB-CG 3.89Å; F119-L139 HydrophobicContact CD2-CD2 4.39Å; V120-L139 HydrophobicContact CG2-CD1 4.11Å; V120-L139 HydrophobicContact CG2-CD2 4.33Å; L123-L139 HydrophobicContact CD1-CD1 3.69Å; L123-L139 HydrophobicContact CD2-CD1 4.2Å; L123-L139 HydrophobicContact CG-CD1 4.12Å; A135-L139 WeakPolarHBondContact O-CG 3.43Å; A135-L139 PolarHBondContact O-N 3.32Å; W137-L139 VanDerWaalsContact C-N 3.33Å; W137-L139 PolarHBondContact O-N 3.1Å; L139-N141 VanDerWaalsContact C-N 3.34Å; L139-N141 PolarHBondContact O-N 3.05Å; L139-I142 PolarHBondContact O-N 3.09Å; L139-A143 WeakPolarHBondContact O-CB 3.43Å; L139-A143 PolarHBondContact O-N 2.79Å; L139-V153 HydrophobicContact CD2-CG1 4.43Å; L139-V153 HydrophobicContact CD2-CG2 4.45Å; L139-A158 HydrophobicContact CD1-CB 4.48Å |
| 140 | T | 97.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.2 | -43.4 | 176.9 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | A136 W137 A138 A143 S144 Q176 W179 A180 N183 | A136-T140 WeakPolarHBondContact O-CB 3.41Å; A136-T140 PolarHBondContact O-N 3.01Å; A136-T140 PolarHBondContact O-OG1 3.33Å; W137-T140 WeakPolarHBondContact O-CB 3.37Å; W137-T140 PolarHBondContact O-N 3.28Å; W137-T140 VanDerWaalsContact O-N 3.12Å; A138-T140 VanDerWaalsContact C-N 3.33Å; A138-T140 PolarHBondContact O-N 2.89Å; T140-A143 PolarHBondContact O-N 3.42Å; T140-S144 PolarHBondContact O-N 3.27Å; T140-Q176 VanDerWaalsContact CB-NE2 3.27Å; T140-Q176 PolarHBondContact OG1-NE2 3.23Å; T140-Q176 PolarHBondContact OG1-O 3.36Å; T140-W179 HydrophobicContact CG2-CB 4.07Å; T140-W179 HydrophobicContact CG2-CD2 3.95Å; T140-W179 HydrophobicContact CG2-CG 3.62Å; T140-A180 WeakPolarHBondContact OG1-CB 3.44Å; T140-N183 PolarHBondContact O-ND2 3.49Å |
| 141 | N | 95.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.8 | -42.3 | 178 | -74.1 | -18.2 | 0 | 0 | 0 | 111.2 | L99 S100 W137 A138 L139 S144 | L99-N141 HydrophobicContact CB-CB 3.83Å; L99-N141 HydrophobicContact CD1-CB 4.38Å; S100-N141 PolarHBondContact OG-ND2 2.93Å; W137-N141 PolarHBondContact O-N 2.92Å; A138-N141 PolarHBondContact O-N 3.16Å; L139-N141 VanDerWaalsContact C-N 3.34Å; L139-N141 PolarHBondContact O-N 3.05Å; N141-S144 WeakPolarHBondContact O-CB 3.35Å; N141-S144 PolarHBondContact O-N 2.89Å; N141-S144 PolarHBondContact O-OG 3.45Å |
| 142 | I | 96.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.2 | -47.3 | 174.5 | -60.5 | 167 | 0 | 0 | 0 | 110.3 | L99 L107 I110 V111 L116 F119 A138 L139 S144 G145 H149 V153 | L99-I142 HydrophobicContact CD1-CD1 4.14Å; L99-I142 HydrophobicContact CD1-CG1 3.75Å; L107-I142 HydrophobicContact CD2-CG1 4.4Å; I110-I142 HydrophobicContact CG2-CD1 3.9Å; V111-I142 HydrophobicContact CG2-CG2 3.91Å; L116-I142 HydrophobicContact CD2-CD1 4.14Å; F119-I142 HydrophobicContact CD2-CD1 4.46Å; F119-I142 HydrophobicContact CE2-CD1 4.37Å; A138-I142 WeakPolarHBondContact O-CG1 3.32Å; A138-I142 PolarHBondContact O-N 3.15Å; A138-I142 VanDerWaalsContact O-N 3.08Å; L139-I142 PolarHBondContact O-N 3.09Å; I142-S144 PolarHBondContact O-N 3.38Å; I142-S144 VanDerWaalsContact O-N 3.15Å; I142-G145 PolarHBondContact O-N 2.86Å; I142-H149 HydrophobicContact CG2-CB 4.05Å; I142-H149 VanDerWaalsContact O-CB 3.25Å; I142-H149 WeakPolarHBondContact O-CB 3.48Å; I142-V153 HydrophobicContact CB-CG2 3.92Å; I142-V153 HydrophobicContact CG2-CG2 3.57Å |
| 143 | A | 96.2 | Very high | 96.5 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.008 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62 | -23.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L139 T140 G145 T150 V153 N183 I184 | L139-A143 WeakPolarHBondContact O-CB 3.43Å; L139-A143 PolarHBondContact O-N 2.79Å; T140-A143 PolarHBondContact O-N 3.42Å; A143-G145 VanDerWaalsContact C-N 3.26Å; A143-G145 PolarHBondContact O-N 3.29Å; A143-T150 PolarHBondContact O-OG1 3.03Å; A143-V153 HydrophobicContact CB-CG2 4.32Å; A143-N183 HydrophobicContact CB-CB 4.08Å; A143-I184 HydrophobicContact CB-CG1 4.12Å |
| 144 | S | 93.5 | Very high | 96.5 | Very high | 17 Ų | 17 | 21.4 Ų | 21.4 | 12% | 0.119 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -10.9 | 176.1 | 80.9 | 0 | 0 | 0 | 0 | 114.4 | R48 T140 N141 I142 | R48-S144 WeakPolarHBondContact CB-OG 3.43Å; T140-S144 PolarHBondContact O-N 3.27Å; N141-S144 WeakPolarHBondContact O-CB 3.35Å; N141-S144 PolarHBondContact O-N 2.89Å; N141-S144 PolarHBondContact O-OG 3.45Å; I142-S144 PolarHBondContact O-N 3.38Å; I142-S144 VanDerWaalsContact O-N 3.15Å |
| 145 | G | 92 | Very high | 96.5 | Very high | 15 Ų | 15 | 26.8 Ų | 26.8 | 16% | 0.155 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -70.3 | -159.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | K46 I142 A143 | K46-G145 WeakPolarHBondContact CD-O 3.29Å; K46-G145 PolarHBondContact NZ-O 3.16Å; I142-G145 PolarHBondContact O-N 2.86Å; A143-G145 VanDerWaalsContact C-N 3.26Å; A143-G145 PolarHBondContact O-N 3.29Å |
| 146 | N | 93 | Very high | 96.5 | Very high | 94 Ų | 94 | 29.8 Ų | 29.8 | 50% | 0.503 | 15% | 0.151 | S | C | . | . | trans | -68 | 173.1 | 173 | 69 | 26.8 | 0 | 0 | 0 | 112.3 | W148 H149 T150 | N146-W148 PolarHBondContact O-N 3.19Å; N146-W148 WeakPolarHBondContact OD1-CB 3.41Å; N146-W148 PolarHBondContact OD1-N 3.37Å; N146-W148 VanDerWaalsContact OD1-N 3.09Å; N146-H149 VanDerWaalsContact CG-ND1 3.29Å; N146-H149 PolarHBondContact N-ND1 3.39Å; N146-H149 PolarHBondContact O-N 2.95Å; N146-H149 PolarHBondContact OD1-N 3.07Å; N146-H149 VanDerWaalsContact OD1-N 3.14Å; N146-H149 PolarHBondContact OD1-ND1 3.28Å; N146-T150 PolarHBondContact O-N 3.27Å | ||
| 147 | S | 94.6 | Very high | 96.4 | Very high | 57 Ų | 57 | 31.4 Ų | 31.4 | 40% | 0.399 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -61.1 | -25.8 | -177.7 | -51.4 | 0 | 0 | 0 | 0 | 114.2 | H151 D187 | S147-H151 WeakPolarHBondContact O-CB 3.37Å; S147-H151 PolarHBondContact O-N 3.02Å; S147-D187 VanDerWaalsContact CA-OD1 3.27Å; S147-D187 WeakPolarHBondContact CA-OD1 3.36Å; S147-D187 WeakPolarHBondContact CB-OD1 3.34Å; S147-D187 WeakPolarHBondContact CB-OD2 3.45Å; S147-D187 PolarHBondContact OG-OD1 3.39Å; S147-D187 PolarHBondContact OG-OD2 2.82Å |
| 148 | W | 96.9 | Very high | 96.4 | Very high | 98 Ų | 98 | 30.6 Ų | 30.6 | 37% | 0.371 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -66.2 | -44 | 173 | 176.6 | 86.6 | 0 | 0 | 0 | 111.3 | K108 V111 N146 T150 H151 Q152 | K108-W148 HydrophobicContact CB-CZ3 4.27Å; K108-W148 HydrophobicContact CG-CH2 3.83Å; K108-W148 HydrophobicContact CG-CZ3 3.88Å; V111-W148 HydrophobicContact CB-CH2 4Å; V111-W148 HydrophobicContact CB-CZ3 4.3Å; V111-W148 HydrophobicContact CG1-CH2 3.51Å; V111-W148 HydrophobicContact CG1-CZ2 4.15Å; V111-W148 HydrophobicContact CG1-CZ3 4.15Å; V111-W148 HydrophobicContact CG2-CZ3 4.44Å; N146-W148 PolarHBondContact O-N 3.19Å; N146-W148 WeakPolarHBondContact OD1-CB 3.41Å; N146-W148 PolarHBondContact OD1-N 3.37Å; N146-W148 VanDerWaalsContact OD1-N 3.09Å; W148-T150 PolarHBondContact O-N 2.86Å; W148-H151 VanDerWaalsContact O-CB 3.29Å; W148-H151 WeakPolarHBondContact O-CB 3.33Å; W148-H151 PolarHBondContact O-N 2.59Å; W148-Q152 HydrophobicContact CD2-CG 4.18Å; W148-Q152 HydrophobicContact CE3-CG 4.45Å; W148-Q152 HydrophobicContact CH2-CG 4.24Å; W148-Q152 HydrophobicContact CZ2-CG 3.94Å; W148-Q152 HydrophobicContact CZ3-CG 4.48Å; W148-Q152 WeakPolarHBondContact O-CG 3.38Å; W148-Q152 PolarHBondContact O-N 2.84Å |
| 149 | H | 96.8 | Very high | 96.5 | Very high | 18 Ų | 18 | 30.8 Ų | 30.8 | 8% | 0.083 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64 | -43 | 176.7 | -61.5 | 99.5 | 0 | 0 | 0 | 112.2 | L107 I142 N146 H151 Q152 V153 | L107-H149 VanDerWaalsContact CB-CD2 3.43Å; L107-H149 WeakPolarHBondContact CB-CD2 3.32Å; L107-H149 VanDerWaalsContact CB-NE2 3.3Å; L107-H149 WeakPolarHBondContact CB-NE2 3.45Å; I142-H149 HydrophobicContact CG2-CB 4.05Å; I142-H149 VanDerWaalsContact O-CB 3.25Å; I142-H149 WeakPolarHBondContact O-CB 3.48Å; N146-H149 VanDerWaalsContact CG-ND1 3.29Å; N146-H149 PolarHBondContact N-ND1 3.39Å; N146-H149 PolarHBondContact O-N 2.95Å; N146-H149 PolarHBondContact OD1-N 3.07Å; N146-H149 VanDerWaalsContact OD1-N 3.14Å; N146-H149 PolarHBondContact OD1-ND1 3.28Å; H149-H151 VanDerWaalsContact C-N 3.29Å; H149-H151 PolarHBondContact O-N 3.18Å; H149-Q152 PolarHBondContact O-N 3.19Å; H149-V153 PolarHBondContact O-N 3.15Å; H149-V153 VanDerWaalsContact O-N 3.11Å |
| 150 | T | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.5 | -41.6 | 174.8 | -54 | 0 | 0 | 0 | 0 | 111.2 | K46 A143 N146 W148 Q152 V153 V154 I184 D187 Y191 | K46-T150 PolarHBondContact NZ-OG1 2.96Å; A143-T150 PolarHBondContact O-OG1 3.03Å; N146-T150 PolarHBondContact O-N 3.27Å; W148-T150 PolarHBondContact O-N 2.86Å; T150-Q152 VanDerWaalsContact C-N 3.31Å; T150-Q152 PolarHBondContact O-N 2.85Å; T150-V153 PolarHBondContact O-N 3.33Å; T150-V154 WeakPolarHBondContact O-CG2 3.49Å; T150-V154 PolarHBondContact O-N 3.36Å; T150-I184 HydrophobicContact CG2-CB 4.4Å; T150-I184 HydrophobicContact CG2-CG1 4.21Å; T150-I184 HydrophobicContact CG2-CG2 4.39Å; T150-D187 HydrophobicContact CG2-CB 3.92Å; T150-Y191 HydrophobicContact CG2-CD2 4.07Å; T150-Y191 HydrophobicContact CG2-CE2 4.18Å; T150-Y191 HydrophobicContact CG2-CG 4.44Å |
| 151 | H | 97.7 | Very high | 96.5 | Very high | 65 Ų | 65 | 34.8 Ų | 34.8 | 30% | 0.301 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -56.7 | -44.9 | 174.4 | -173.3 | 67.3 | 0 | 0 | 0 | 112.3 | S147 W148 H149 V154 Q155 Y191 | S147-H151 WeakPolarHBondContact O-CB 3.37Å; S147-H151 PolarHBondContact O-N 3.02Å; W148-H151 VanDerWaalsContact O-CB 3.29Å; W148-H151 WeakPolarHBondContact O-CB 3.33Å; W148-H151 PolarHBondContact O-N 2.59Å; H149-H151 VanDerWaalsContact C-N 3.29Å; H149-H151 PolarHBondContact O-N 3.18Å; H151-V154 PolarHBondContact O-N 3.29Å; H151-Q155 PolarHBondContact NE2-NE2 3.28Å; H151-Q155 PolarHBondContact NE2-OE1 2.96Å; H151-Q155 WeakPolarHBondContact O-CB 3.48Å; H151-Q155 PolarHBondContact O-N 3.02Å; H151-Y191 WeakPolarHBondContact CA-OH 3.33Å; H151-Y191 WeakPolarHBondContact CB-OH 3.4Å; H151-Y191 PolarHBondContact ND1-OH 2.94Å |
| 152 | Q | 98.3 | Very high | 96.6 | Very high | 30 Ų | 30 | 34.8 Ų | 34.8 | 14% | 0.14 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.3 | -44.6 | 179.5 | -66.7 | -62.9 | -50.7 | 0 | 0 | 111.6 | V111 L116 W148 H149 T150 V154 Q155 H156 | V111-Q152 HydrophobicContact CG1-CB 4.06Å; V111-Q152 HydrophobicContact CG1-CG 3.84Å; L116-Q152 HydrophobicContact CD1-CB 3.94Å; W148-Q152 HydrophobicContact CD2-CG 4.18Å; W148-Q152 HydrophobicContact CE3-CG 4.45Å; W148-Q152 HydrophobicContact CH2-CG 4.24Å; W148-Q152 HydrophobicContact CZ2-CG 3.94Å; W148-Q152 HydrophobicContact CZ3-CG 4.48Å; W148-Q152 WeakPolarHBondContact O-CG 3.38Å; W148-Q152 PolarHBondContact O-N 2.84Å; H149-Q152 PolarHBondContact O-N 3.19Å; T150-Q152 VanDerWaalsContact C-N 3.31Å; T150-Q152 PolarHBondContact O-N 2.85Å; Q152-V154 VanDerWaalsContact C-N 3.31Å; Q152-V154 PolarHBondContact O-N 2.7Å; Q152-Q155 PolarHBondContact O-N 2.96Å; Q152-H156 PolarHBondContact O-N 3.44Å; Q152-H156 VanDerWaalsContact O-N 3.13Å; Q152-H156 PolarHBondContact O-ND1 3.46Å; Q152-H156 PolarHBondContact OE1-CE1 3.43Å |
| 153 | V | 98.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.1 | -44.1 | 174.9 | 173.6 | 0 | 0 | 0 | 0 | 111.5 | L116 L139 I142 A143 H149 T150 A158 I184 | L116-V153 HydrophobicContact CD2-CG2 3.89Å; L139-V153 HydrophobicContact CD2-CG1 4.43Å; L139-V153 HydrophobicContact CD2-CG2 4.45Å; I142-V153 HydrophobicContact CB-CG2 3.92Å; I142-V153 HydrophobicContact CG2-CG2 3.57Å; A143-V153 HydrophobicContact CB-CG2 4.32Å; H149-V153 PolarHBondContact O-N 3.15Å; H149-V153 VanDerWaalsContact O-N 3.11Å; T150-V153 PolarHBondContact O-N 3.33Å; V153-A158 HydrophobicContact CG1-CB 3.54Å; V153-A158 WeakPolarHBondContact O-CB 3.47Å; V153-A158 PolarHBondContact O-N 3.02Å; V153-I184 HydrophobicContact CG1-CD1 4.2Å |
| 154 | V | 97.7 | Very high | 96.8 | Very high | 27 Ų | 27 | 41.1 Ų | 41.1 | 16% | 0.164 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69 | -45.4 | -179.8 | 175.3 | 0 | 0 | 0 | 0 | 111.8 | T150 H151 Q152 H156 G157 V159 I184 Y191 | T150-V154 WeakPolarHBondContact O-CG2 3.49Å; T150-V154 PolarHBondContact O-N 3.36Å; H151-V154 PolarHBondContact O-N 3.29Å; Q152-V154 VanDerWaalsContact C-N 3.31Å; Q152-V154 PolarHBondContact O-N 2.7Å; V154-H156 VanDerWaalsContact C-N 3.26Å; V154-H156 PolarHBondContact O-N 2.93Å; V154-G157 PolarHBondContact O-N 2.93Å; V154-G157 VanDerWaalsContact O-N 3.09Å; V154-V159 HydrophobicContact CG1-CG2 4.32Å; V154-V159 HydrophobicContact CG2-CG2 4.06Å; V154-I184 HydrophobicContact CG2-CG2 3.86Å; V154-Y191 HydrophobicContact CB-CD1 4.3Å; V154-Y191 HydrophobicContact CB-CE1 4.02Å; V154-Y191 HydrophobicContact CG1-CD1 4.19Å; V154-Y191 HydrophobicContact CG1-CE1 4.06Å; V154-Y191 HydrophobicContact CG2-CD1 3.76Å; V154-Y191 HydrophobicContact CG2-CE1 3.88Å |
| 155 | Q | 97.1 | Very high | 97 | Very high | 123 Ų | 123 | 40.5 Ų | 40.5 | 58% | 0.575 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -62.1 | -31.9 | 179.9 | -82.3 | -161.7 | -35.7 | 0 | 0 | 113.4 | H151 Q152 G157 | H151-Q155 PolarHBondContact NE2-NE2 3.28Å; H151-Q155 PolarHBondContact NE2-OE1 2.96Å; H151-Q155 WeakPolarHBondContact O-CB 3.48Å; H151-Q155 PolarHBondContact O-N 3.02Å; Q152-Q155 PolarHBondContact O-N 2.96Å; Q155-G157 PolarHBondContact O-N 3.24Å |
| 156 | H | 97.3 | Very high | 97.3 | Very high | 62 Ų | 62 | 40 Ų | 40 | 29% | 0.287 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 10.1 | 177.6 | -70.8 | 79 | 0 | 0 | 0 | 113.5 | L116 S117 Q152 V154 | L116-H156 HydrophobicContact CB-CB 4.01Å; S117-H156 PolarHBondContact OG-CD2 3.44Å; Q152-H156 PolarHBondContact O-N 3.44Å; Q152-H156 VanDerWaalsContact O-N 3.13Å; Q152-H156 PolarHBondContact O-ND1 3.46Å; Q152-H156 PolarHBondContact OE1-CE1 3.43Å; V154-H156 VanDerWaalsContact C-N 3.26Å; V154-H156 PolarHBondContact O-N 2.93Å |
| 157 | G | 96.4 | Very high | 97.4 | Very high | 34 Ų | 34 | 39.5 Ų | 39.5 | 35% | 0.351 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | 18.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | V154 Q155 V159 P160 | V154-G157 PolarHBondContact O-N 2.93Å; V154-G157 VanDerWaalsContact O-N 3.09Å; Q155-G157 PolarHBondContact O-N 3.24Å; G157-V159 VanDerWaalsContact C-N 3.28Å; G157-V159 PolarHBondContact O-N 3.05Å; G157-P160 WeakPolarHBondContact O-CD 3.4Å |
| 158 | A | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.4 | -28.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | V120 L139 V153 A161 L162 | V120-A158 HydrophobicContact CG2-CB 3.75Å; L139-A158 HydrophobicContact CD1-CB 4.48Å; V153-A158 HydrophobicContact CG1-CB 3.54Å; V153-A158 WeakPolarHBondContact O-CB 3.47Å; V153-A158 PolarHBondContact O-N 3.02Å; A158-A161 PolarHBondContact O-N 2.95Å; A158-L162 HydrophobicContact CB-CD1 4.04Å; A158-L162 WeakPolarHBondContact O-CB 3.39Å; A158-L162 WeakPolarHBondContact O-CD1 3.37Å; A158-L162 WeakPolarHBondContact O-CG 3.38Å; A158-L162 PolarHBondContact O-N 3.26Å |
| 159 | V | 98.2 | Very high | 97.3 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.024 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.4 | -56 | -173 | 165.9 | 0 | 0 | 0 | 0 | 112.7 | V154 G157 A161 L162 I163 I184 L195 C198 | V154-V159 HydrophobicContact CG1-CG2 4.32Å; V154-V159 HydrophobicContact CG2-CG2 4.06Å; G157-V159 VanDerWaalsContact C-N 3.28Å; G157-V159 PolarHBondContact O-N 3.05Å; V159-A161 VanDerWaalsContact C-N 3.3Å; V159-A161 PolarHBondContact O-N 3.35Å; V159-L162 PolarHBondContact O-N 3.45Å; V159-I163 HydrophobicContact CG1-CD1 3.85Å; V159-I163 VanDerWaalsContact O-CG1 3.31Å; V159-I163 WeakPolarHBondContact O-CG1 3.44Å; V159-I163 PolarHBondContact O-N 2.96Å; V159-I184 HydrophobicContact CG2-CD1 4.25Å; V159-L195 HydrophobicContact CB-CD2 4.28Å; V159-L195 HydrophobicContact CG1-CD2 3.58Å; V159-L195 HydrophobicContact CG2-CD2 3.76Å; V159-C198 HydrophobicContact CG1-CB 3.92Å |
| 160 | P | 98 | Very high | 97.3 | Very high | 73 Ų | 73 | 42 Ų | 42 | 47% | 0.474 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.7 | -40.7 | 176.5 | -25.8 | 35.1 | 0 | 0 | 0 | 113.1 | G157 I163 N164 | G157-P160 WeakPolarHBondContact O-CD 3.4Å; P160-I163 PolarHBondContact O-N 3.35Å; P160-N164 PolarHBondContact O-N 3.38Å |
| 161 | A | 97.8 | Very high | 97.1 | Very high | 11 Ų | 11 | 44.6 Ų | 44.6 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.2 | -45 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V120 L123 A158 V159 I163 N164 L165 | V120-A161 HydrophobicContact CG1-CB 4.17Å; L123-A161 HydrophobicContact CB-CB 4.08Å; L123-A161 HydrophobicContact CD1-CB 3.75Å; L123-A161 HydrophobicContact CG-CB 4.5Å; A158-A161 PolarHBondContact O-N 2.95Å; V159-A161 VanDerWaalsContact C-N 3.3Å; V159-A161 PolarHBondContact O-N 3.35Å; A161-I163 PolarHBondContact O-N 3.03Å; A161-N164 PolarHBondContact O-N 3.01Å; A161-L165 WeakPolarHBondContact O-CB 3.4Å; A161-L165 PolarHBondContact O-N 2.86Å |
| 162 | L | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.9 | -37.3 | 175.5 | -69.8 | 167.2 | 0 | 0 | 0 | 112 | L123 A158 V159 L165 L166 A177 A180 L181 I184 | L123-L162 HydrophobicContact CD1-CD2 3.77Å; L123-L162 HydrophobicContact CD1-CG 3.93Å; A158-L162 HydrophobicContact CB-CD1 4.04Å; A158-L162 WeakPolarHBondContact O-CB 3.39Å; A158-L162 WeakPolarHBondContact O-CD1 3.37Å; A158-L162 WeakPolarHBondContact O-CG 3.38Å; A158-L162 PolarHBondContact O-N 3.26Å; V159-L162 PolarHBondContact O-N 3.45Å; L162-L165 WeakPolarHBondContact O-CB 3.47Å; L162-L165 PolarHBondContact O-N 3.02Å; L162-L166 PolarHBondContact O-N 3.35Å; L162-A177 HydrophobicContact CD2-CB 4.39Å; L162-A177 WeakPolarHBondContact O-CB 3.45Å; L162-A180 HydrophobicContact CD1-CB 3.66Å; L162-A180 HydrophobicContact CD2-CB 3.74Å; L162-A180 HydrophobicContact CG-CB 4.31Å; L162-L181 HydrophobicContact CB-CD1 4.45Å; L162-L181 HydrophobicContact CB-CD2 3.96Å; L162-L181 HydrophobicContact CB-CG 4.09Å; L162-L181 HydrophobicContact CD1-CD2 4.5Å; L162-I184 HydrophobicContact CD1-CD1 3.95Å |
| 163 | I | 98.5 | Very high | 96.8 | Very high | 19 Ų | 19 | 43.6 Ų | 43.6 | 10% | 0.097 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 176.2 | -70.1 | 172.6 | 0 | 0 | 0 | 110.8 | V159 P160 A161 L165 L166 L181 C198 V200 A203 | V159-I163 HydrophobicContact CG1-CD1 3.85Å; V159-I163 VanDerWaalsContact O-CG1 3.31Å; V159-I163 WeakPolarHBondContact O-CG1 3.44Å; V159-I163 PolarHBondContact O-N 2.96Å; P160-I163 PolarHBondContact O-N 3.35Å; A161-I163 PolarHBondContact O-N 3.03Å; I163-L165 VanDerWaalsContact C-N 3.26Å; I163-L165 PolarHBondContact O-N 3.12Å; I163-L166 VanDerWaalsContact O-CB 3.28Å; I163-L166 WeakPolarHBondContact O-CB 3.42Å; I163-L166 WeakPolarHBondContact O-CG 3.22Å; I163-L166 PolarHBondContact O-N 2.98Å; I163-L181 HydrophobicContact CG1-CD1 4.29Å; I163-L181 HydrophobicContact CG1-CD2 4.01Å; I163-C198 HydrophobicContact CD1-CB 3.57Å; I163-C198 WeakPolarHBondContact CD1-O 3.47Å; I163-V200 HydrophobicContact CD1-CB 3.97Å; I163-V200 HydrophobicContact CD1-CG2 4.29Å; I163-V200 HydrophobicContact CG1-CB 4.32Å; I163-V200 HydrophobicContact CG1-CG2 4.12Å; I163-A203 HydrophobicContact CG2-CB 4.01Å |
| 164 | N | 97.5 | Very high | 96.8 | Very high | 115 Ų | 115 | 43.6 Ų | 43.6 | 62% | 0.615 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -60.6 | -39.6 | 174.8 | -70.5 | -15.9 | 0 | 0 | 0 | 111.3 | P160 A161 L166 A167 | P160-N164 PolarHBondContact O-N 3.38Å; A161-N164 PolarHBondContact O-N 3.01Å; N164-L166 PolarHBondContact O-N 3.2Å; N164-L166 VanDerWaalsContact O-N 3.16Å; N164-A167 WeakPolarHBondContact O-CB 3.45Å; N164-A167 PolarHBondContact O-N 3.17Å |
| 165 | L | 97.3 | Very high | 96.7 | Very high | 5 Ų | 5 | 44.7 Ų | 44.7 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.6 | -19 | -178.9 | -157.2 | 64.5 | 0 | 0 | 0 | 113.6 | L123 A136 A161 L162 I163 A167 S168 I173 A177 | L123-L165 HydrophobicContact CD2-CD2 4.08Å; A136-L165 HydrophobicContact CB-CD2 3.95Å; A161-L165 WeakPolarHBondContact O-CB 3.4Å; A161-L165 PolarHBondContact O-N 2.86Å; L162-L165 WeakPolarHBondContact O-CB 3.47Å; L162-L165 PolarHBondContact O-N 3.02Å; I163-L165 VanDerWaalsContact C-N 3.26Å; I163-L165 PolarHBondContact O-N 3.12Å; L165-A167 PolarHBondContact O-N 3.03Å; L165-S168 VanDerWaalsContact O-CB 3.26Å; L165-S168 WeakPolarHBondContact O-CB 3.46Å; L165-S168 PolarHBondContact O-N 3.45Å; L165-S168 VanDerWaalsContact O-N 3.08Å; L165-I173 HydrophobicContact CD1-CG2 3.56Å; L165-I173 HydrophobicContact CD2-CG2 3.73Å; L165-I173 HydrophobicContact CG-CG2 3.58Å; L165-A177 HydrophobicContact CB-CB 3.94Å; L165-A177 HydrophobicContact CD2-CB 4.15Å; L165-A177 HydrophobicContact CG-CB 4.25Å |
| 166 | L | 97.6 | Very high | 96.7 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -30.4 | 171.4 | -65.4 | 174.7 | 0 | 0 | 0 | 112.4 | L162 I163 N164 S168 S174 A177 V178 L181 A203 L204 R207 | L162-L166 PolarHBondContact O-N 3.35Å; I163-L166 VanDerWaalsContact O-CB 3.28Å; I163-L166 WeakPolarHBondContact O-CB 3.42Å; I163-L166 WeakPolarHBondContact O-CG 3.22Å; I163-L166 PolarHBondContact O-N 2.98Å; N164-L166 PolarHBondContact O-N 3.2Å; N164-L166 VanDerWaalsContact O-N 3.16Å; L166-S168 VanDerWaalsContact C-N 3.27Å; L166-S168 PolarHBondContact O-N 2.96Å; L166-S174 WeakPolarHBondContact CA-OG 3.34Å; L166-S174 PolarHBondContact O-OG 2.86Å; L166-A177 HydrophobicContact CD2-CB 4.04Å; L166-V178 HydrophobicContact CD2-CB 4.33Å; L166-V178 HydrophobicContact CD2-CG2 3.36Å; L166-L181 HydrophobicContact CD1-CD1 3.78Å; L166-L181 HydrophobicContact CD2-CD1 4.01Å; L166-L181 HydrophobicContact CG-CD1 4.02Å; L166-A203 HydrophobicContact CD1-CB 3.6Å; L166-L204 HydrophobicContact CD1-CD2 3.9Å; L166-L204 HydrophobicContact CD1-CG 4.1Å; L166-L204 HydrophobicContact CD2-CD2 3.97Å; L166-R207 WeakPolarHBondContact O-CD 3.28Å; L166-R207 PolarHBondContact O-NE 2.93Å |
| 167 | A | 96.1 | Very high | 96.8 | Very high | 85 Ų | 85 | 36.2 Ų | 36.2 | 70% | 0.702 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -0.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | N164 L165 | N164-A167 WeakPolarHBondContact O-CB 3.45Å; N164-A167 PolarHBondContact O-N 3.17Å; L165-A167 PolarHBondContact O-N 3.03Å |
| 168 | S | 96.4 | Very high | 96.9 | Very high | 13 Ų | 13 | 34.6 Ų | 34.6 | 9% | 0.091 | 20% | 0.204 | C | C | . | . | trans | -55 | 136.1 | 178.3 | 178.9 | 0 | 0 | 0 | 0 | 111.3 | L165 L166 M170 | L165-S168 VanDerWaalsContact O-CB 3.26Å; L165-S168 WeakPolarHBondContact O-CB 3.46Å; L165-S168 PolarHBondContact O-N 3.45Å; L165-S168 VanDerWaalsContact O-N 3.08Å; L166-S168 VanDerWaalsContact C-N 3.27Å; L166-S168 PolarHBondContact O-N 2.96Å; S168-M170 PolarHBondContact O-N 3.13Å; S168-M170 PolarHBondContact OG-N 3.29Å | ||
| 169 | P | 93.8 | Very high | 96.8 | Very high | 132 Ų | 132 | 36 Ų | 36 | 86% | 0.857 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -67 | -19.6 | 173.9 | 29.3 | -35.2 | 0 | 0 | 0 | 111.9 | ||
| 170 | M | 95.4 | Very high | 96.8 | Very high | 80 Ų | 80 | 35.9 Ų | 35.9 | 39% | 0.394 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -88.5 | 110.9 | 178.1 | -62.9 | -171.2 | 109.4 | 0 | 0 | 110.6 | P129 S168 H172 I173 S174 | P129-M170 HydrophobicContact CB-CE 4.23Å; P129-M170 HydrophobicContact CB-SD 3.26Å; P129-M170 WeakPolarHBondContact CB-SD 3.19Å; P129-M170 HydrophobicContact CG-SD 4.02Å; S168-M170 PolarHBondContact O-N 3.13Å; S168-M170 PolarHBondContact OG-N 3.29Å; M170-H172 VanDerWaalsContact C-N 3.32Å; M170-H172 PolarHBondContact O-N 3.38Å; M170-I173 HydrophobicContact CB-CB 4.28Å; M170-I173 HydrophobicContact CB-CD1 3.85Å; M170-I173 HydrophobicContact CB-CG1 3.89Å; M170-I173 HydrophobicContact CG-CD1 4.33Å; M170-I173 PolarHBondContact O-N 3.25Å; M170-I173 VanDerWaalsContact O-N 3.14Å; M170-I173 HydrophobicContact SD-CD1 3.74Å; M170-S174 PolarHBondContact O-N 3.5Å; M170-S174 VanDerWaalsContact O-N 3.14Å |
| 171 | L | 93.9 | Very high | 96.9 | Very high | 55 Ų | 55 | 32.4 Ų | 32.4 | 29% | 0.288 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -58.8 | -40.9 | -172.1 | -168.7 | 65 | 0 | 0 | 0 | 113.3 | I173 S174 E175 P213 Y216 | L171-I173 VanDerWaalsContact C-N 3.3Å; L171-I173 PolarHBondContact O-N 3.25Å; L171-S174 PolarHBondContact O-N 3.14Å; L171-E175 VanDerWaalsContact O-CB 3.27Å; L171-E175 WeakPolarHBondContact O-CB 3.3Å; L171-E175 PolarHBondContact O-N 3.15Å; L171-P213 HydrophobicContact CD2-CB 4.19Å; L171-P213 HydrophobicContact CD2-CG 3.59Å; L171-Y216 HydrophobicContact CD1-CD1 3.39Å; L171-Y216 HydrophobicContact CD1-CD2 4.17Å; L171-Y216 HydrophobicContact CD1-CE1 3.47Å; L171-Y216 VanDerWaalsContact CD1-CE1 3.47Å; L171-Y216 HydrophobicContact CD1-CE2 4.24Å; L171-Y216 HydrophobicContact CD1-CG 3.75Å; L171-Y216 HydrophobicContact CG-CD1 4.28Å; L171-Y216 HydrophobicContact CG-CG 4.19Å |
| 172 | H | 93.8 | Very high | 96.9 | Very high | 74 Ų | 74 | 31.9 Ų | 31.9 | 34% | 0.343 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65.7 | -31.9 | -178.9 | 62.5 | -89.6 | 0 | 0 | 0 | 112.7 | F133 M170 Q176 | F133-H172 AromaticContact CD2-CD2 3.59Å; F133-H172 HydrophobicContact CE2-CB 4.37Å; F133-H172 AromaticContact CE2-CD2 3.95Å; F133-H172 AromaticContact CG-CD2 3.99Å; M170-H172 VanDerWaalsContact C-N 3.32Å; M170-H172 PolarHBondContact O-N 3.38Å; H172-Q176 PolarHBondContact O-N 3.38Å; H172-Q176 VanDerWaalsContact O-N 3.1Å |
| 173 | I | 96.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70.4 | -48.7 | 174.2 | -57.7 | -173.9 | 0 | 0 | 0 | 109.9 | P129 Q132 F133 L165 M170 L171 E175 Q176 A177 | P129-I173 HydrophobicContact CB-CD1 3.65Å; P129-I173 WeakPolarHBondContact O-CD1 3.42Å; Q132-I173 HydrophobicContact CB-CD1 4.29Å; Q132-I173 HydrophobicContact CB-CG2 4.27Å; F133-I173 HydrophobicContact CB-CG1 4.2Å; L165-I173 HydrophobicContact CD1-CG2 3.56Å; L165-I173 HydrophobicContact CD2-CG2 3.73Å; L165-I173 HydrophobicContact CG-CG2 3.58Å; M170-I173 HydrophobicContact CB-CB 4.28Å; M170-I173 HydrophobicContact CB-CD1 3.85Å; M170-I173 HydrophobicContact CB-CG1 3.89Å; M170-I173 HydrophobicContact CG-CD1 4.33Å; M170-I173 PolarHBondContact O-N 3.25Å; M170-I173 VanDerWaalsContact O-N 3.14Å; M170-I173 HydrophobicContact SD-CD1 3.74Å; L171-I173 VanDerWaalsContact C-N 3.3Å; L171-I173 PolarHBondContact O-N 3.25Å; I173-E175 VanDerWaalsContact C-N 3.28Å; I173-E175 PolarHBondContact O-N 2.97Å; I173-Q176 WeakPolarHBondContact O-CB 3.14Å; I173-Q176 PolarHBondContact O-N 3.04Å; I173-Q176 VanDerWaalsContact O-N 3.17Å; I173-A177 PolarHBondContact O-N 2.9Å; I173-A177 VanDerWaalsContact O-N 3.1Å |
| 174 | S | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.5 | -39.9 | 175.8 | -174.5 | 0 | 0 | 0 | 0 | 111.8 | L166 M170 L171 Q176 A177 V178 Y216 | L166-S174 WeakPolarHBondContact CA-OG 3.34Å; L166-S174 PolarHBondContact O-OG 2.86Å; M170-S174 PolarHBondContact O-N 3.5Å; M170-S174 VanDerWaalsContact O-N 3.14Å; L171-S174 PolarHBondContact O-N 3.14Å; S174-Q176 PolarHBondContact O-N 3.12Å; S174-A177 WeakPolarHBondContact O-CB 3.38Å; S174-A177 PolarHBondContact O-N 3.35Å; S174-V178 WeakPolarHBondContact O-CG2 3.37Å; S174-V178 PolarHBondContact O-N 3.42Å; S174-Y216 PolarHBondContact OG-OH 3.25Å |
| 175 | E | 96.2 | Very high | 96.8 | Very high | 50 Ų | 50 | 25.6 Ų | 25.6 | 23% | 0.234 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.5 | -42.5 | 174.6 | -175.4 | 161.9 | -149.9 | 0 | 0 | 112.7 | L171 I173 A177 V178 W179 Y216 N219 | L171-E175 VanDerWaalsContact O-CB 3.27Å; L171-E175 WeakPolarHBondContact O-CB 3.3Å; L171-E175 PolarHBondContact O-N 3.15Å; I173-E175 VanDerWaalsContact C-N 3.28Å; I173-E175 PolarHBondContact O-N 2.97Å; E175-A177 VanDerWaalsContact C-N 3.29Å; E175-A177 PolarHBondContact O-N 2.92Å; E175-V178 WeakPolarHBondContact O-CB 3.11Å; E175-V178 PolarHBondContact O-N 3.11Å; E175-W179 PolarHBondContact O-N 3.08Å; E175-Y216 VanDerWaalsContact CA-CE2 3.48Å; E175-Y216 HydrophobicContact CB-CD2 3.55Å; E175-Y216 HydrophobicContact CB-CE2 3.87Å; E175-Y216 HydrophobicContact CG-CD2 3.83Å; E175-Y216 HydrophobicContact CG-CE2 4.49Å; E175-N219 HydrophobicContact CG-CB 4.46Å; E175-N219 WeakPolarHBondContact CG-ND2 3.49Å; E175-N219 PolarHBondContact OE1-ND2 3.33Å |
| 176 | Q | 96.5 | Very high | 96.6 | Very high | 8 Ų | 8 | 25.4 Ų | 25.4 | 4% | 0.037 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.8 | -38.3 | 176.4 | -162.5 | 57.3 | 58.2 | 0 | 0 | 111.7 | F133 A136 W137 T140 H172 I173 S174 W179 A180 | F133-Q176 HydrophobicContact CD2-CB 4.32Å; F133-Q176 HydrophobicContact CE2-CB 4.34Å; A136-Q176 HydrophobicContact CB-CB 4.08Å; A136-Q176 HydrophobicContact CB-CG 3.66Å; W137-Q176 HydrophobicContact CB-CG 3.85Å; W137-Q176 HydrophobicContact CG-CG 4.39Å; T140-Q176 VanDerWaalsContact CB-NE2 3.27Å; T140-Q176 PolarHBondContact OG1-NE2 3.23Å; T140-Q176 PolarHBondContact OG1-O 3.36Å; H172-Q176 PolarHBondContact O-N 3.38Å; H172-Q176 VanDerWaalsContact O-N 3.1Å; I173-Q176 WeakPolarHBondContact O-CB 3.14Å; I173-Q176 PolarHBondContact O-N 3.04Å; I173-Q176 VanDerWaalsContact O-N 3.17Å; S174-Q176 PolarHBondContact O-N 3.12Å; Q176-W179 PolarHBondContact O-N 3.38Å; Q176-A180 PolarHBondContact O-N 2.71Å |
| 177 | A | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.2 | -44.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L162 L165 L166 I173 S174 E175 W179 A180 L181 | L162-A177 HydrophobicContact CD2-CB 4.39Å; L162-A177 WeakPolarHBondContact O-CB 3.45Å; L165-A177 HydrophobicContact CB-CB 3.94Å; L165-A177 HydrophobicContact CD2-CB 4.15Å; L165-A177 HydrophobicContact CG-CB 4.25Å; L166-A177 HydrophobicContact CD2-CB 4.04Å; I173-A177 PolarHBondContact O-N 2.9Å; I173-A177 VanDerWaalsContact O-N 3.1Å; S174-A177 WeakPolarHBondContact O-CB 3.38Å; S174-A177 PolarHBondContact O-N 3.35Å; E175-A177 VanDerWaalsContact C-N 3.29Å; E175-A177 PolarHBondContact O-N 2.92Å; A177-W179 PolarHBondContact O-N 3.4Å; A177-A180 PolarHBondContact O-N 3.44Å; A177-L181 WeakPolarHBondContact O-CB 3.39Å; A177-L181 WeakPolarHBondContact O-CD1 3.34Å; A177-L181 VanDerWaalsContact O-CG 3.23Å; A177-L181 WeakPolarHBondContact O-CG 3.34Å; A177-L181 PolarHBondContact O-N 3.42Å |
| 178 | V | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -55.2 | -43.3 | 175 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | L166 S174 E175 G182 L204 Y216 N219 L220 T223 | L166-V178 HydrophobicContact CD2-CB 4.33Å; L166-V178 HydrophobicContact CD2-CG2 3.36Å; S174-V178 WeakPolarHBondContact O-CG2 3.37Å; S174-V178 PolarHBondContact O-N 3.42Å; E175-V178 WeakPolarHBondContact O-CB 3.11Å; E175-V178 PolarHBondContact O-N 3.11Å; V178-G182 PolarHBondContact O-N 2.83Å; V178-L204 HydrophobicContact CG1-CD2 4.33Å; V178-L204 HydrophobicContact CG2-CD2 3.91Å; V178-Y216 HydrophobicContact CB-CE2 4.49Å; V178-Y216 HydrophobicContact CG2-CE2 3.73Å; V178-N219 VanDerWaalsContact CG1-C 3.49Å; V178-N219 HydrophobicContact CG1-CB 4.07Å; V178-N219 WeakPolarHBondContact CG1-O 3.37Å; V178-L220 HydrophobicContact CB-CD2 4.49Å; V178-L220 HydrophobicContact CG1-CD2 3.98Å; V178-L220 HydrophobicContact CG1-CG 4.23Å; V178-L220 HydrophobicContact CG2-CD2 3.57Å; V178-L220 HydrophobicContact CG2-CG 4.24Å; V178-T223 PolarHBondContact O-OG1 3.46Å |
| 179 | W | 97.1 | Very high | 96.1 | Very high | 30 Ų | 30 | 22.9 Ų | 22.9 | 11% | 0.114 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.6 | -49 | 178.9 | -167.9 | -9.3 | 0 | 0 | 0 | 112.1 | R47 N49 T140 E175 Q176 A177 L181 G182 N183 W222 | R47-W179 HydrophobicContact CB-CZ2 4.36Å; R47-W179 PolarHBondContact O-NE1 2.91Å; N49-W179 HydrophobicContact CB-CH2 3.09Å; N49-W179 HydrophobicContact CB-CZ2 3.72Å; N49-W179 HydrophobicContact CB-CZ3 3.53Å; N49-W179 WeakPolarHBondContact ND2-CZ3 3.08Å; T140-W179 HydrophobicContact CG2-CB 4.07Å; T140-W179 HydrophobicContact CG2-CD2 3.95Å; T140-W179 HydrophobicContact CG2-CG 3.62Å; E175-W179 PolarHBondContact O-N 3.08Å; Q176-W179 PolarHBondContact O-N 3.38Å; A177-W179 PolarHBondContact O-N 3.4Å; W179-L181 VanDerWaalsContact C-N 3.28Å; W179-L181 PolarHBondContact O-N 2.89Å; W179-G182 WeakPolarHBondContact O-CA 3.35Å; W179-G182 PolarHBondContact O-N 3.47Å; W179-N183 PolarHBondContact O-N 3.21Å; W179-W222 AromaticContact CD1-CZ3 3.79Å |
| 180 | A | 98.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.008 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -52.6 | -48.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | T140 L162 Q176 A177 G182 N183 I184 | T140-A180 WeakPolarHBondContact OG1-CB 3.44Å; L162-A180 HydrophobicContact CD1-CB 3.66Å; L162-A180 HydrophobicContact CD2-CB 3.74Å; L162-A180 HydrophobicContact CG-CB 4.31Å; Q176-A180 PolarHBondContact O-N 2.71Å; A177-A180 PolarHBondContact O-N 3.44Å; A180-G182 VanDerWaalsContact C-N 3.32Å; A180-G182 PolarHBondContact O-N 3.17Å; A180-N183 PolarHBondContact O-N 3.27Å; A180-I184 WeakPolarHBondContact O-CG1 3.33Å; A180-I184 PolarHBondContact O-N 3.43Å |
| 181 | L | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.9 | -37.6 | 178 | -66.5 | 166.2 | 0 | 0 | 0 | 112 | L162 I163 L166 A177 W179 I184 A185 L195 V200 T223 | L162-L181 HydrophobicContact CB-CD1 4.45Å; L162-L181 HydrophobicContact CB-CD2 3.96Å; L162-L181 HydrophobicContact CB-CG 4.09Å; L162-L181 HydrophobicContact CD1-CD2 4.5Å; I163-L181 HydrophobicContact CG1-CD1 4.29Å; I163-L181 HydrophobicContact CG1-CD2 4.01Å; L166-L181 HydrophobicContact CD1-CD1 3.78Å; L166-L181 HydrophobicContact CD2-CD1 4.01Å; L166-L181 HydrophobicContact CG-CD1 4.02Å; A177-L181 WeakPolarHBondContact O-CB 3.39Å; A177-L181 WeakPolarHBondContact O-CD1 3.34Å; A177-L181 VanDerWaalsContact O-CG 3.23Å; A177-L181 WeakPolarHBondContact O-CG 3.34Å; A177-L181 PolarHBondContact O-N 3.42Å; W179-L181 VanDerWaalsContact C-N 3.28Å; W179-L181 PolarHBondContact O-N 2.89Å; L181-I184 PolarHBondContact O-N 3.37Å; L181-A185 WeakPolarHBondContact O-CB 3.33Å; L181-A185 PolarHBondContact O-N 3.22Å; L181-L195 HydrophobicContact CD2-CD2 3.62Å; L181-L195 WeakPolarHBondContact O-CD1 3.33Å; L181-V200 HydrophobicContact CD1-CG2 3.95Å; L181-V200 HydrophobicContact CD2-CG2 4.29Å; L181-T223 HydrophobicContact CB-CG2 4.39Å |
| 182 | G | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.3 | -40.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V178 W179 A180 G186 T223 N226 | V178-G182 PolarHBondContact O-N 2.83Å; W179-G182 WeakPolarHBondContact O-CA 3.35Å; W179-G182 PolarHBondContact O-N 3.47Å; A180-G182 VanDerWaalsContact C-N 3.32Å; A180-G182 PolarHBondContact O-N 3.17Å; G182-G186 PolarHBondContact O-N 2.82Å; G182-T223 VanDerWaalsContact CA-OG1 3.29Å; G182-T223 WeakPolarHBondContact CA-OG1 3.47Å; G182-N226 PolarHBondContact O-ND2 3.29Å |
| 183 | N | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -66 | -39.8 | 174.4 | -84.2 | -28.7 | 0 | 0 | 0 | 112.2 | R47 T140 A143 W179 A180 G186 D187 W222 | R47-N183 PolarHBondContact N-OD1 3.03Å; R47-N183 PolarHBondContact O-ND2 3.36Å; R47-N183 PolarHBondContact O-OD1 3.41Å; R47-N183 VanDerWaalsContact O-OD1 3.1Å; T140-N183 PolarHBondContact O-ND2 3.49Å; A143-N183 HydrophobicContact CB-CB 4.08Å; W179-N183 PolarHBondContact O-N 3.21Å; A180-N183 PolarHBondContact O-N 3.27Å; N183-G186 PolarHBondContact O-N 2.94Å; N183-D187 PolarHBondContact O-N 3.3Å; N183-W222 WeakPolarHBondContact OD1-CH2 3.33Å |
| 184 | I | 98.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.4 | -48.4 | 175.9 | -65.4 | 165.4 | 0 | 0 | 0 | 110.3 | A143 T150 V153 V154 V159 L162 A180 L181 G186 D187 Y191 L195 | A143-I184 HydrophobicContact CB-CG1 4.12Å; T150-I184 HydrophobicContact CG2-CB 4.4Å; T150-I184 HydrophobicContact CG2-CG1 4.21Å; T150-I184 HydrophobicContact CG2-CG2 4.39Å; V153-I184 HydrophobicContact CG1-CD1 4.2Å; V154-I184 HydrophobicContact CG2-CG2 3.86Å; V159-I184 HydrophobicContact CG2-CD1 4.25Å; L162-I184 HydrophobicContact CD1-CD1 3.95Å; A180-I184 WeakPolarHBondContact O-CG1 3.33Å; A180-I184 PolarHBondContact O-N 3.43Å; L181-I184 PolarHBondContact O-N 3.37Å; I184-G186 VanDerWaalsContact C-N 3.28Å; I184-G186 PolarHBondContact O-N 3.48Å; I184-D187 PolarHBondContact O-N 3.3Å; I184-Y191 HydrophobicContact CG2-CG 4.41Å; I184-Y191 VanDerWaalsContact O-CB 3.29Å; I184-Y191 WeakPolarHBondContact O-CB 3.45Å; I184-L195 HydrophobicContact CB-CD1 4.15Å; I184-L195 HydrophobicContact CG2-CD1 3.89Å; I184-L195 HydrophobicContact CG2-CD2 4.09Å; I184-L195 HydrophobicContact CG2-CG 4.04Å |
| 185 | A | 97.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.1 | -38.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L181 D187 L195 N226 L227 | L181-A185 WeakPolarHBondContact O-CB 3.33Å; L181-A185 PolarHBondContact O-N 3.22Å; A185-D187 VanDerWaalsContact C-N 3.29Å; A185-D187 PolarHBondContact O-N 3.27Å; A185-L195 HydrophobicContact CB-CD1 3.71Å; A185-N226 HydrophobicContact CB-CB 3.83Å; A185-L227 HydrophobicContact CB-CD2 3.88Å; A185-L227 HydrophobicContact CB-CG 4.3Å |
| 186 | G | 94.2 | Very high | 96.6 | Very high | 2 Ų | 2 | 13.8 Ų | 13.8 | 2% | 0.021 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -73.6 | -11.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | G182 N183 I184 | G182-G186 PolarHBondContact O-N 2.82Å; N183-G186 PolarHBondContact O-N 2.94Å; I184-G186 VanDerWaalsContact C-N 3.28Å; I184-G186 PolarHBondContact O-N 3.48Å |
| 187 | D | 94.3 | Very high | 96.7 | Very high | 11 Ų | 11 | 20.2 Ų | 20.2 | 6% | 0.059 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -72.2 | -31.5 | 177.2 | -172.5 | 65.2 | 0 | 0 | 0 | 112.9 | F44 K46 S147 T150 N183 I184 A185 Y191 | F44-D187 WeakPolarHBondContact CD1-O 3.4Å; F44-D187 WeakPolarHBondContact CE1-O 3.14Å; K46-D187 VanDerWaalsContact CE-CB 3.43Å; K46-D187 WeakPolarHBondContact CE-OD1 3.26Å; K46-D187 IonicContact NZ-OD1 3.46Å; K46-D187 PolarHBondContact NZ-OD1 3.28Å; S147-D187 VanDerWaalsContact CA-OD1 3.27Å; S147-D187 WeakPolarHBondContact CA-OD1 3.36Å; S147-D187 WeakPolarHBondContact CB-OD1 3.34Å; S147-D187 WeakPolarHBondContact CB-OD2 3.45Å; S147-D187 PolarHBondContact OG-OD1 3.39Å; S147-D187 PolarHBondContact OG-OD2 2.82Å; T150-D187 HydrophobicContact CG2-CB 3.92Å; N183-D187 PolarHBondContact O-N 3.3Å; I184-D187 PolarHBondContact O-N 3.3Å; A185-D187 VanDerWaalsContact C-N 3.29Å; A185-D187 PolarHBondContact O-N 3.27Å; D187-Y191 HydrophobicContact CB-CD2 3.89Å; D187-Y191 WeakPolarHBondContact OD2-CD2 3.38Å; D187-Y191 WeakPolarHBondContact OD2-CE2 3.11Å |
| 188 | G | 90.9 | Very high | 96.6 | Very high | 6 Ų | 6 | 22.6 Ų | 22.6 | 6% | 0.062 | 13% | 0.129 | C | C | . | . | trans | 162.7 | 174.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | G190 Y191 R192 | G188-G190 VanDerWaalsContact C-N 3.28Å; G188-G190 PolarHBondContact O-N 3.4Å; G188-Y191 PolarHBondContact O-N 3.48Å; G188-R192 WeakPolarHBondContact O-CB 3.34Å; G188-R192 PolarHBondContact O-N 2.93Å | ||
| 189 | P | 93.3 | Very high | 96.6 | Very high | 30 Ų | 30 | 29.5 Ų | 29.5 | 20% | 0.195 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.4 | -31.2 | -174.3 | 24.7 | -33.3 | 0 | 0 | 0 | 113.3 | R192 D193 N230 M232 P233 | P189-R192 WeakPolarHBondContact O-CB 3.32Å; P189-D193 WeakPolarHBondContact O-CB 3.4Å; P189-D193 PolarHBondContact O-N 3.19Å; P189-N230 HydrophobicContact CB-CB 4.1Å; P189-N230 HydrophobicContact CG-CB 4.32Å; P189-M232 VanDerWaalsContact CG-O 3.32Å; P189-M232 WeakPolarHBondContact CG-O 3.46Å; P189-P233 HydrophobicContact CB-CG 4.41Å |
| 190 | G | 95.2 | Very high | 96.7 | Very high | 48 Ų | 48 | 28.1 Ų | 28.1 | 50% | 0.495 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -61.8 | -49.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G188 D193 I194 | G188-G190 VanDerWaalsContact C-N 3.28Å; G188-G190 PolarHBondContact O-N 3.4Å; G190-D193 PolarHBondContact O-N 3.19Å; G190-I194 WeakPolarHBondContact O-CG1 3.4Å; G190-I194 PolarHBondContact O-N 3.46Å; G190-I194 VanDerWaalsContact O-N 3.1Å |
| 191 | Y | 96.5 | Very high | 96.7 | Very high | 36 Ų | 36 | 28.2 Ų | 28.2 | 14% | 0.141 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -73.7 | -35.4 | 178.2 | -66.1 | -57.5 | 0 | 0 | 0 | 112.8 | T150 H151 V154 I184 D187 G188 D193 I194 L195 | T150-Y191 HydrophobicContact CG2-CD2 4.07Å; T150-Y191 HydrophobicContact CG2-CE2 4.18Å; T150-Y191 HydrophobicContact CG2-CG 4.44Å; H151-Y191 WeakPolarHBondContact CA-OH 3.33Å; H151-Y191 WeakPolarHBondContact CB-OH 3.4Å; H151-Y191 PolarHBondContact ND1-OH 2.94Å; V154-Y191 HydrophobicContact CB-CD1 4.3Å; V154-Y191 HydrophobicContact CB-CE1 4.02Å; V154-Y191 HydrophobicContact CG1-CD1 4.19Å; V154-Y191 HydrophobicContact CG1-CE1 4.06Å; V154-Y191 HydrophobicContact CG2-CD1 3.76Å; V154-Y191 HydrophobicContact CG2-CE1 3.88Å; I184-Y191 HydrophobicContact CG2-CG 4.41Å; I184-Y191 VanDerWaalsContact O-CB 3.29Å; I184-Y191 WeakPolarHBondContact O-CB 3.45Å; D187-Y191 HydrophobicContact CB-CD2 3.89Å; D187-Y191 WeakPolarHBondContact OD2-CD2 3.38Å; D187-Y191 WeakPolarHBondContact OD2-CE2 3.11Å; G188-Y191 PolarHBondContact O-N 3.48Å; Y191-D193 VanDerWaalsContact C-N 3.29Å; Y191-D193 PolarHBondContact O-N 3.08Å; Y191-I194 HydrophobicContact CD1-CD1 3.98Å; Y191-I194 HydrophobicContact CE1-CD1 4.41Å; Y191-I194 PolarHBondContact O-N 2.99Å; Y191-L195 WeakPolarHBondContact O-CG 3.44Å; Y191-L195 PolarHBondContact O-N 3.49Å |
| 192 | R | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -51.7 | -50.4 | 169.1 | -179.9 | -159 | 68.3 | -155.9 | -6 | 111.1 | G188 P189 L195 I196 L227 R229 N230 P233 | G188-R192 WeakPolarHBondContact O-CB 3.34Å; G188-R192 PolarHBondContact O-N 2.93Å; P189-R192 WeakPolarHBondContact O-CB 3.32Å; R192-L195 PolarHBondContact O-N 2.92Å; R192-I196 HydrophobicContact CG-CD1 4.11Å; R192-I196 WeakPolarHBondContact O-CG1 3.43Å; R192-I196 PolarHBondContact O-N 3.36Å; R192-I196 VanDerWaalsContact O-N 3.11Å; R192-L227 WeakPolarHBondContact CD-O 2.88Å; R192-L227 HydrophobicContact CG-CD2 4.19Å; R192-R229 WeakPolarHBondContact CD-O 3.44Å; R192-R229 PolarHBondContact NH1-O 2.99Å; R192-N230 PolarHBondContact NH1-O 3.44Å; R192-P233 VanDerWaalsContact CZ-O 3.29Å; R192-P233 PolarHBondContact NH1-O 3.07Å; R192-P233 PolarHBondContact NH2-O 3.35Å |
| 193 | D | 96.5 | Very high | 96.7 | Very high | 30 Ų | 30 | 32.4 Ų | 32.4 | 16% | 0.16 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.7 | -37 | -175.9 | -67.2 | -15.2 | 0 | 0 | 0 | 111.9 | P189 G190 Y191 L195 I196 E197 | P189-D193 WeakPolarHBondContact O-CB 3.4Å; P189-D193 PolarHBondContact O-N 3.19Å; G190-D193 PolarHBondContact O-N 3.19Å; Y191-D193 VanDerWaalsContact C-N 3.29Å; Y191-D193 PolarHBondContact O-N 3.08Å; D193-L195 VanDerWaalsContact C-N 3.32Å; D193-L195 PolarHBondContact O-N 3.1Å; D193-I196 WeakPolarHBondContact O-CB 3.46Å; D193-I196 PolarHBondContact O-N 2.99Å; D193-I196 VanDerWaalsContact O-N 3.16Å; D193-E197 WeakPolarHBondContact O-CG 3.42Å; D193-E197 PolarHBondContact O-N 3.26Å |
| 194 | I | 96.6 | Very high | 96.7 | Very high | 61 Ų | 61 | 32.4 Ų | 32.4 | 31% | 0.313 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -55.7 | -46.6 | 170.3 | -71.2 | 165.8 | 0 | 0 | 0 | 111.1 | G190 Y191 I196 E197 C198 | G190-I194 WeakPolarHBondContact O-CG1 3.4Å; G190-I194 PolarHBondContact O-N 3.46Å; G190-I194 VanDerWaalsContact O-N 3.1Å; Y191-I194 HydrophobicContact CD1-CD1 3.98Å; Y191-I194 HydrophobicContact CE1-CD1 4.41Å; Y191-I194 PolarHBondContact O-N 2.99Å; I194-I196 VanDerWaalsContact C-N 3.32Å; I194-I196 PolarHBondContact O-N 3.45Å; I194-E197 PolarHBondContact O-N 3.43Å; I194-C198 WeakPolarHBondContact O-CB 3.47Å; I194-C198 PolarHBondContact O-N 2.84Å; I194-C198 PolarHBondContact O-SG 3.29Å; I194-C198 VanDerWaalsContact O-SG 3.35Å |
| 195 | L | 98.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.5 | -40.6 | 178.4 | -67.3 | 177.7 | 0 | 0 | 0 | 111.9 | V159 L181 I184 A185 Y191 R192 D193 C198 K199 V200 L227 | V159-L195 HydrophobicContact CB-CD2 4.28Å; V159-L195 HydrophobicContact CG1-CD2 3.58Å; V159-L195 HydrophobicContact CG2-CD2 3.76Å; L181-L195 HydrophobicContact CD2-CD2 3.62Å; L181-L195 WeakPolarHBondContact O-CD1 3.33Å; I184-L195 HydrophobicContact CB-CD1 4.15Å; I184-L195 HydrophobicContact CG2-CD1 3.89Å; I184-L195 HydrophobicContact CG2-CD2 4.09Å; I184-L195 HydrophobicContact CG2-CG 4.04Å; A185-L195 HydrophobicContact CB-CD1 3.71Å; Y191-L195 WeakPolarHBondContact O-CG 3.44Å; Y191-L195 PolarHBondContact O-N 3.49Å; R192-L195 PolarHBondContact O-N 2.92Å; D193-L195 VanDerWaalsContact C-N 3.32Å; D193-L195 PolarHBondContact O-N 3.1Å; L195-C198 CarbonylContact O-C 3.51Å; L195-C198 PolarHBondContact O-N 3.07Å; L195-K199 PolarHBondContact O-N 3.36Å; L195-V200 HydrophobicContact CB-CB 4.13Å; L195-V200 HydrophobicContact CB-CG1 3.78Å; L195-V200 VanDerWaalsContact O-CB 3.24Å; L195-V200 WeakPolarHBondContact O-CB 3.36Å; L195-V200 VanDerWaalsContact O-CG1 3.22Å; L195-V200 WeakPolarHBondContact O-CG1 3.38Å; L195-V200 PolarHBondContact O-N 3.08Å; L195-V200 VanDerWaalsContact O-N 3.08Å; L195-L227 HydrophobicContact CB-CD2 4.29Å; L195-L227 HydrophobicContact CD1-CD2 4.3Å |
| 196 | I | 98.1 | Very high | 96.7 | Very high | 24 Ų | 24 | 37.5 Ų | 37.5 | 12% | 0.123 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.8 | -44.4 | 177.1 | -67.5 | 170.7 | 0 | 0 | 0 | 110.7 | R192 D193 I194 C198 K199 I201 L227 A239 | R192-I196 HydrophobicContact CG-CD1 4.11Å; R192-I196 WeakPolarHBondContact O-CG1 3.43Å; R192-I196 PolarHBondContact O-N 3.36Å; R192-I196 VanDerWaalsContact O-N 3.11Å; D193-I196 WeakPolarHBondContact O-CB 3.46Å; D193-I196 PolarHBondContact O-N 2.99Å; D193-I196 VanDerWaalsContact O-N 3.16Å; I194-I196 VanDerWaalsContact C-N 3.32Å; I194-I196 PolarHBondContact O-N 3.45Å; I196-C198 VanDerWaalsContact C-N 3.3Å; I196-C198 PolarHBondContact O-N 3.42Å; I196-K199 PolarHBondContact O-N 2.96Å; I196-K199 VanDerWaalsContact O-N 3.08Å; I196-I201 HydrophobicContact CD1-CD1 4.49Å; I196-I201 HydrophobicContact CG1-CD1 3.95Å; I196-I201 HydrophobicContact CG2-CD1 4.3Å; I196-L227 HydrophobicContact CG1-CD2 4.27Å; I196-A239 HydrophobicContact CD1-CB 4.03Å; I196-A239 HydrophobicContact CG1-CB 4.49Å; I196-A239 HydrophobicContact CG2-CB 3.89Å |
| 197 | E | 97.1 | Very high | 96.9 | Very high | 143 Ų | 143 | 40.7 Ų | 40.7 | 67% | 0.668 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -60.6 | -40.3 | 175.7 | -73 | 174.8 | -175.9 | 0 | 0 | 111.6 | D193 I194 K199 | D193-E197 WeakPolarHBondContact O-CG 3.42Å; D193-E197 PolarHBondContact O-N 3.26Å; I194-E197 PolarHBondContact O-N 3.43Å; E197-K199 PolarHBondContact O-N 3.49Å; E197-K199 VanDerWaalsContact O-N 3.1Å |
| 198 | C | 97.6 | Very high | 96.9 | Very high | 51 Ų | 51 | 41.7 Ų | 41.7 | 35% | 0.345 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 11.9 | 174.1 | -66.6 | 0 | 0 | 0 | 0 | 114.7 | V159 I163 I194 L195 I196 V200 | V159-C198 HydrophobicContact CG1-CB 3.92Å; I163-C198 HydrophobicContact CD1-CB 3.57Å; I163-C198 WeakPolarHBondContact CD1-O 3.47Å; I194-C198 WeakPolarHBondContact O-CB 3.47Å; I194-C198 PolarHBondContact O-N 2.84Å; I194-C198 PolarHBondContact O-SG 3.29Å; I194-C198 VanDerWaalsContact O-SG 3.35Å; L195-C198 CarbonylContact O-C 3.51Å; L195-C198 PolarHBondContact O-N 3.07Å; I196-C198 VanDerWaalsContact C-N 3.3Å; I196-C198 PolarHBondContact O-N 3.42Å; C198-V200 VanDerWaalsContact C-N 3.31Å; C198-V200 PolarHBondContact O-N 3.02Å |
| 199 | K | 97.7 | Very high | 97.1 | Very high | 145 Ų | 145 | 44 Ų | 44 | 63% | 0.63 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 32.7 | 176.5 | -48.9 | -58.4 | -179.6 | -174.8 | 0 | 114.3 | L195 I196 E197 I201 P202 | L195-K199 PolarHBondContact O-N 3.36Å; I196-K199 PolarHBondContact O-N 2.96Å; I196-K199 VanDerWaalsContact O-N 3.08Å; E197-K199 PolarHBondContact O-N 3.49Å; E197-K199 VanDerWaalsContact O-N 3.1Å; K199-I201 PolarHBondContact O-N 2.88Å; K199-P202 WeakPolarHBondContact O-CD 3.47Å |
| 200 | V | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.5 | -34.6 | 175 | 77.4 | 0 | 0 | 0 | 0 | 112.5 | I163 L181 L195 C198 A203 L204 L227 | I163-V200 HydrophobicContact CD1-CB 3.97Å; I163-V200 HydrophobicContact CD1-CG2 4.29Å; I163-V200 HydrophobicContact CG1-CB 4.32Å; I163-V200 HydrophobicContact CG1-CG2 4.12Å; L181-V200 HydrophobicContact CD1-CG2 3.95Å; L181-V200 HydrophobicContact CD2-CG2 4.29Å; L195-V200 HydrophobicContact CB-CB 4.13Å; L195-V200 HydrophobicContact CB-CG1 3.78Å; L195-V200 VanDerWaalsContact O-CB 3.24Å; L195-V200 WeakPolarHBondContact O-CB 3.36Å; L195-V200 VanDerWaalsContact O-CG1 3.22Å; L195-V200 WeakPolarHBondContact O-CG1 3.38Å; L195-V200 PolarHBondContact O-N 3.08Å; L195-V200 VanDerWaalsContact O-N 3.08Å; C198-V200 VanDerWaalsContact C-N 3.31Å; C198-V200 PolarHBondContact O-N 3.02Å; V200-A203 PolarHBondContact O-N 3.38Å; V200-L204 HydrophobicContact CG2-CD1 3.79Å; V200-L204 HydrophobicContact CG2-CG 4.06Å; V200-L204 WeakPolarHBondContact O-CG 3.47Å; V200-L204 PolarHBondContact O-N 3.35Å; V200-L227 HydrophobicContact CG1-CD1 3.8Å; V200-L227 HydrophobicContact CG1-CD2 4.07Å |
| 201 | I | 98.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 53.7 Ų | 53.7 | 2% | 0.015 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.5 | -58.3 | -172.1 | -69.9 | 169.3 | 0 | 0 | 0 | 111.2 | I196 K199 A203 L204 L205 L227 A239 Q242 M243 | I196-I201 HydrophobicContact CD1-CD1 4.49Å; I196-I201 HydrophobicContact CG1-CD1 3.95Å; I196-I201 HydrophobicContact CG2-CD1 4.3Å; K199-I201 PolarHBondContact O-N 2.88Å; I201-A203 PolarHBondContact O-N 3.45Å; I201-L204 PolarHBondContact O-N 3.2Å; I201-L204 VanDerWaalsContact O-N 3.14Å; I201-L205 HydrophobicContact CG2-CD1 3.73Å; I201-L205 HydrophobicContact CG2-CG 4.09Å; I201-L205 VanDerWaalsContact O-CG 3.29Å; I201-L205 WeakPolarHBondContact O-CG 3.39Å; I201-L205 PolarHBondContact O-N 2.83Å; I201-L227 HydrophobicContact CG1-CD1 4.12Å; I201-A239 HydrophobicContact CD1-CB 3.45Å; I201-A239 VanDerWaalsContact CD1-CB 3.45Å; I201-Q242 HydrophobicContact CG2-CB 3.78Å; I201-M243 HydrophobicContact CB-CG 4.5Å; I201-M243 HydrophobicContact CD1-CE 4.04Å; I201-M243 HydrophobicContact CD1-CG 3.98Å; I201-M243 HydrophobicContact CD1-SD 3.86Å; I201-M243 HydrophobicContact CG1-CG 4.05Å; I201-M243 HydrophobicContact CG1-SD 3.95Å; I201-M243 HydrophobicContact CG2-CG 3.66Å |
| 202 | P | 98.4 | Very high | 96.7 | Very high | 63 Ų | 63 | 52.7 Ų | 52.7 | 41% | 0.409 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -52.7 | -39.5 | 175.7 | -27.9 | 33.6 | 0 | 0 | 0 | 113.4 | K199 L205 A206 | K199-P202 WeakPolarHBondContact O-CD 3.47Å; P202-L205 PolarHBondContact O-N 3.15Å; P202-A206 WeakPolarHBondContact O-CB 3.37Å; P202-A206 PolarHBondContact O-N 2.88Å |
| 203 | A | 98.4 | Very high | 96.6 | Very high | 25 Ų | 25 | 56 Ų | 56 | 21% | 0.207 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I163 L166 V200 I201 R207 | I163-A203 HydrophobicContact CG2-CB 4.01Å; L166-A203 HydrophobicContact CD1-CB 3.6Å; V200-A203 PolarHBondContact O-N 3.38Å; I201-A203 PolarHBondContact O-N 3.45Å; A203-R207 WeakPolarHBondContact O-CG 3.47Å |
| 204 | L | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.3 | -43.7 | 174.6 | -70.3 | 169.7 | 0 | 0 | 0 | 112 | L166 V178 V200 I201 A206 R207 L220 T223 L224 L227 | L166-L204 HydrophobicContact CD1-CD2 3.9Å; L166-L204 HydrophobicContact CD1-CG 4.1Å; L166-L204 HydrophobicContact CD2-CD2 3.97Å; V178-L204 HydrophobicContact CG1-CD2 4.33Å; V178-L204 HydrophobicContact CG2-CD2 3.91Å; V200-L204 HydrophobicContact CG2-CD1 3.79Å; V200-L204 HydrophobicContact CG2-CG 4.06Å; V200-L204 WeakPolarHBondContact O-CG 3.47Å; V200-L204 PolarHBondContact O-N 3.35Å; I201-L204 PolarHBondContact O-N 3.2Å; I201-L204 VanDerWaalsContact O-N 3.14Å; L204-A206 VanDerWaalsContact C-N 3.29Å; L204-A206 PolarHBondContact O-N 3.32Å; L204-R207 WeakPolarHBondContact O-CB 3.2Å; L204-R207 PolarHBondContact O-N 3.08Å; L204-L220 HydrophobicContact CB-CD2 4.42Å; L204-L220 HydrophobicContact CD2-CD2 3.8Å; L204-T223 HydrophobicContact CD1-CG2 3.77Å; L204-T223 HydrophobicContact CD2-CG2 4.26Å; L204-L224 HydrophobicContact CB-CD2 4.38Å; L204-L224 HydrophobicContact CD1-CD2 4.19Å; L204-L227 HydrophobicContact CD1-CD1 3.62Å |
| 205 | L | 98.1 | Very high | 96.4 | Very high | 32 Ų | 32 | 56.8 Ų | 56.8 | 17% | 0.168 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.5 | -32.9 | -178 | -63.8 | -175.7 | 0 | 0 | 0 | 112.2 | I201 P202 R207 I208 L224 Q242 | I201-L205 HydrophobicContact CG2-CD1 3.73Å; I201-L205 HydrophobicContact CG2-CG 4.09Å; I201-L205 VanDerWaalsContact O-CG 3.29Å; I201-L205 WeakPolarHBondContact O-CG 3.39Å; I201-L205 PolarHBondContact O-N 2.83Å; P202-L205 PolarHBondContact O-N 3.15Å; L205-R207 PolarHBondContact O-N 3.37Å; L205-I208 HydrophobicContact CD2-CD1 4.06Å; L205-I208 PolarHBondContact O-N 3.28Å; L205-L224 HydrophobicContact CD2-CD1 4.17Å; L205-L224 HydrophobicContact CD2-CD2 4.11Å; L205-Q242 HydrophobicContact CD1-CB 4.45Å; L205-Q242 VanDerWaalsContact CD1-O 3.23Å; L205-Q242 WeakPolarHBondContact CD1-O 3.49Å |
| 206 | A | 97.1 | Very high | 96.3 | Very high | 76 Ų | 76 | 56.8 Ų | 56.8 | 63% | 0.628 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -12.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | P202 L204 | P202-A206 WeakPolarHBondContact O-CB 3.37Å; P202-A206 PolarHBondContact O-N 2.88Å; L204-A206 VanDerWaalsContact C-N 3.29Å; L204-A206 PolarHBondContact O-N 3.32Å |
| 207 | R | 96.8 | Very high | 96.3 | Very high | 70 Ų | 70 | 56.3 Ų | 56.3 | 26% | 0.264 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -4.8 | 178.1 | -53.2 | -53.2 | -61.4 | 138.9 | -6.1 | 113.4 | L166 A203 L204 L205 T212 Y216 L220 | L166-R207 WeakPolarHBondContact O-CD 3.28Å; L166-R207 PolarHBondContact O-NE 2.93Å; A203-R207 WeakPolarHBondContact O-CG 3.47Å; L204-R207 WeakPolarHBondContact O-CB 3.2Å; L204-R207 PolarHBondContact O-N 3.08Å; L205-R207 PolarHBondContact O-N 3.37Å; R207-T212 VanDerWaalsContact O-CG2 3.31Å; R207-T212 WeakPolarHBondContact O-CG2 3.47Å; R207-T212 PolarHBondContact O-OG1 3.33Å; R207-Y216 HydrophobicContact CB-CE1 3.86Å; R207-Y216 WeakPolarHBondContact CB-OH 3.44Å; R207-Y216 VanDerWaalsContact CG-OH 3.31Å; R207-Y216 WeakPolarHBondContact CG-OH 3.34Å; R207-Y216 PolarHBondContact NE-OH 3.48Å; R207-L220 HydrophobicContact CB-CD1 3.95Å; R207-L220 HydrophobicContact CB-CD2 4.13Å |
| 208 | I | 95.9 | Very high | 96.3 | Very high | 31 Ų | 31 | 53.9 Ų | 53.9 | 16% | 0.159 | 32% | 0.316 | C | S | . | . | trans | -94.8 | 114.2 | 177.2 | -59.5 | 175 | 0 | 0 | 0 | 108.8 | L205 L217 L220 L224 L250 | L205-I208 HydrophobicContact CD2-CD1 4.06Å; L205-I208 PolarHBondContact O-N 3.28Å; I208-L217 HydrophobicContact CG1-CD2 4.36Å; I208-L217 HydrophobicContact CG2-CD2 4.28Å; I208-L220 HydrophobicContact CG1-CD1 4.06Å; I208-L224 HydrophobicContact CD1-CD1 3.76Å; I208-L250 HydrophobicContact CD1-CD1 4.3Å | ||
| 209 | S | 93.6 | Very high | 96.2 | Very high | 56 Ų | 56 | 52.8 Ų | 52.8 | 39% | 0.392 | 31% | 0.307 | S | S | . | . | trans | -145.2 | 163.5 | 177.5 | 73.8 | 0 | 0 | 0 | 0 | 109.8 | D211 T212 | S209-D211 PolarHBondContact O-N 3.28Å; S209-T212 PolarHBondContact N-OG1 3.46Å; S209-T212 VanDerWaalsContact O-CB 3.31Å; S209-T212 WeakPolarHBondContact O-CB 3.28Å; S209-T212 PolarHBondContact O-N 3.34Å; S209-T212 VanDerWaalsContact O-N 3.09Å; S209-T212 PolarHBondContact O-OG1 3.02Å; S209-T212 VanDerWaalsContact O-OG1 3.14Å; S209-T212 PolarHBondContact OG-N 3.15Å; S209-T212 PolarHBondContact OG-OG1 3.23Å | ||
| 210 | P | 90.1 | Very high | 96.3 | Very high | 133 Ų | 133 | 45.9 Ų | 45.9 | 86% | 0.864 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -31.8 | 176.8 | -26.8 | 36.3 | 0 | 0 | 0 | 114.1 | ||
| 211 | D | 92.3 | Very high | 96.3 | Very high | 148 Ų | 148 | 45.9 Ų | 45.9 | 79% | 0.791 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -0.2 | -178.1 | -57.1 | -46.1 | 0 | 0 | 0 | 113 | S209 P213 | S209-D211 PolarHBondContact O-N 3.28Å; D211-P213 WeakPolarHBondContact O-CD 3.32Å |
| 212 | T | 94.6 | Very high | 96.2 | Very high | 15 Ų | 15 | 45.8 Ų | 45.8 | 9% | 0.092 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -65.1 | 124.9 | -178.7 | -59.4 | 0 | 0 | 0 | 0 | 110.3 | R207 S209 Y216 L217 L220 | R207-T212 VanDerWaalsContact O-CG2 3.31Å; R207-T212 WeakPolarHBondContact O-CG2 3.47Å; R207-T212 PolarHBondContact O-OG1 3.33Å; S209-T212 PolarHBondContact N-OG1 3.46Å; S209-T212 VanDerWaalsContact O-CB 3.31Å; S209-T212 WeakPolarHBondContact O-CB 3.28Å; S209-T212 PolarHBondContact O-N 3.34Å; S209-T212 VanDerWaalsContact O-N 3.09Å; S209-T212 PolarHBondContact O-OG1 3.02Å; S209-T212 VanDerWaalsContact O-OG1 3.14Å; S209-T212 PolarHBondContact OG-N 3.15Å; S209-T212 PolarHBondContact OG-OG1 3.23Å; T212-Y216 HydrophobicContact CG2-CD1 3.44Å; T212-Y216 VanDerWaalsContact CG2-CD1 3.44Å; T212-Y216 HydrophobicContact CG2-CE1 4.06Å; T212-Y216 HydrophobicContact CG2-CG 4.47Å; T212-L217 HydrophobicContact CG2-CD2 3.62Å; T212-L217 HydrophobicContact CG2-CG 3.65Å; T212-L217 WeakPolarHBondContact O-CD1 3.47Å; T212-L220 HydrophobicContact CG2-CD1 4.35Å |
| 213 | P | 96.3 | Very high | 96.2 | Very high | 68 Ų | 68 | 42.9 Ų | 42.9 | 44% | 0.442 | 26% | 0.257 | S | S | . | . | trans | -59.5 | 141.6 | -178.2 | -29.3 | 38.8 | 0 | 0 | 0 | 113.4 | L171 D211 G215 Y216 L217 | L171-P213 HydrophobicContact CD2-CB 4.19Å; L171-P213 HydrophobicContact CD2-CG 3.59Å; D211-P213 WeakPolarHBondContact O-CD 3.32Å; P213-G215 VanDerWaalsContact C-N 3.3Å; P213-G215 PolarHBondContact O-N 2.95Å; P213-Y216 PolarHBondContact O-N 3.3Å; P213-Y216 VanDerWaalsContact O-N 3.13Å; P213-L217 PolarHBondContact O-N 3.18Å | ||
| 214 | V | 95.5 | Very high | 96.2 | Very high | 72 Ų | 72 | 41.7 Ų | 41.7 | 44% | 0.436 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -57.8 | -39.5 | -174.7 | 178.5 | 0 | 0 | 0 | 0 | 112.6 | Y216 L217 R218 D255 I258 | V214-Y216 PolarHBondContact O-N 3.11Å; V214-L217 PolarHBondContact O-N 2.71Å; V214-R218 WeakPolarHBondContact O-CG 3.04Å; V214-R218 PolarHBondContact O-N 3.14Å; V214-D255 HydrophobicContact CG1-CB 3.87Å; V214-I258 HydrophobicContact CG1-CD1 4.25Å |
| 215 | G | 93.6 | Very high | 96.2 | Very high | 36 Ų | 36 | 41.9 Ų | 41.9 | 37% | 0.371 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.1 | -49.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | P213 R218 N219 | P213-G215 VanDerWaalsContact C-N 3.3Å; P213-G215 PolarHBondContact O-N 2.95Å; G215-R218 WeakPolarHBondContact O-CB 3.48Å; G215-R218 PolarHBondContact O-N 3.33Å; G215-N219 PolarHBondContact O-N 3.14Å |
| 216 | Y | 95.8 | Very high | 96.2 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.2 | -38.1 | 178 | -178.5 | -125.1 | 0 | 0 | 0 | 112.6 | L171 S174 E175 V178 R207 T212 P213 V214 R218 N219 L220 | L171-Y216 HydrophobicContact CD1-CD1 3.39Å; L171-Y216 HydrophobicContact CD1-CD2 4.17Å; L171-Y216 HydrophobicContact CD1-CE1 3.47Å; L171-Y216 VanDerWaalsContact CD1-CE1 3.47Å; L171-Y216 HydrophobicContact CD1-CE2 4.24Å; L171-Y216 HydrophobicContact CD1-CG 3.75Å; L171-Y216 HydrophobicContact CG-CD1 4.28Å; L171-Y216 HydrophobicContact CG-CG 4.19Å; S174-Y216 PolarHBondContact OG-OH 3.25Å; E175-Y216 VanDerWaalsContact CA-CE2 3.48Å; E175-Y216 HydrophobicContact CB-CD2 3.55Å; E175-Y216 HydrophobicContact CB-CE2 3.87Å; E175-Y216 HydrophobicContact CG-CD2 3.83Å; E175-Y216 HydrophobicContact CG-CE2 4.49Å; V178-Y216 HydrophobicContact CB-CE2 4.49Å; V178-Y216 HydrophobicContact CG2-CE2 3.73Å; R207-Y216 HydrophobicContact CB-CE1 3.86Å; R207-Y216 WeakPolarHBondContact CB-OH 3.44Å; R207-Y216 VanDerWaalsContact CG-OH 3.31Å; R207-Y216 WeakPolarHBondContact CG-OH 3.34Å; R207-Y216 PolarHBondContact NE-OH 3.48Å; T212-Y216 HydrophobicContact CG2-CD1 3.44Å; T212-Y216 VanDerWaalsContact CG2-CD1 3.44Å; T212-Y216 HydrophobicContact CG2-CE1 4.06Å; T212-Y216 HydrophobicContact CG2-CG 4.47Å; P213-Y216 PolarHBondContact O-N 3.3Å; P213-Y216 VanDerWaalsContact O-N 3.13Å; V214-Y216 PolarHBondContact O-N 3.11Å; Y216-R218 VanDerWaalsContact C-N 3.28Å; Y216-R218 PolarHBondContact O-N 3.34Å; Y216-N219 PolarHBondContact O-N 2.93Å; Y216-L220 HydrophobicContact CD1-CD1 3.77Å; Y216-L220 HydrophobicContact CE1-CD1 3.58Å; Y216-L220 HydrophobicContact CE1-CG 4.31Å; Y216-L220 HydrophobicContact CE2-CD1 4.48Å; Y216-L220 HydrophobicContact CE2-CG 4.38Å; Y216-L220 HydrophobicContact CG-CD1 4.32Å; Y216-L220 PolarHBondContact O-N 3.29Å |
| 217 | L | 97.5 | Very high | 96.2 | Very high | 13 Ų | 13 | 36.8 Ų | 36.8 | 7% | 0.068 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.7 | -34.2 | 172.9 | -76.2 | 177.5 | 0 | 0 | 0 | 113 | I208 T212 P213 V214 L220 T221 L250 L253 I258 | I208-L217 HydrophobicContact CG1-CD2 4.36Å; I208-L217 HydrophobicContact CG2-CD2 4.28Å; T212-L217 HydrophobicContact CG2-CD2 3.62Å; T212-L217 HydrophobicContact CG2-CG 3.65Å; T212-L217 WeakPolarHBondContact O-CD1 3.47Å; P213-L217 PolarHBondContact O-N 3.18Å; V214-L217 PolarHBondContact O-N 2.71Å; L217-L220 HydrophobicContact CD2-CD1 4.22Å; L217-L220 PolarHBondContact O-N 3.04Å; L217-T221 VanDerWaalsContact O-CB 3.3Å; L217-T221 WeakPolarHBondContact O-CB 3.31Å; L217-T221 PolarHBondContact O-N 3.48Å; L217-T221 PolarHBondContact O-OG1 2.95Å; L217-L250 HydrophobicContact CD2-CD2 4.2Å; L217-L253 HydrophobicContact CD1-CD1 4.03Å; L217-I258 HydrophobicContact CB-CD1 3.54Å; L217-I258 HydrophobicContact CB-CG1 4.38Å; L217-I258 HydrophobicContact CD1-CD1 4.22Å |
| 218 | R | 97.2 | Very high | 96.2 | Very high | 93 Ų | 93 | 33.6 Ų | 33.6 | 35% | 0.351 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.8 | -46.4 | 174.4 | -69.8 | 169.1 | 177.8 | 160.4 | 3.5 | 110.9 | V214 G215 Y216 T221 W222 D255 N257 I258 | V214-R218 WeakPolarHBondContact O-CG 3.04Å; V214-R218 PolarHBondContact O-N 3.14Å; G215-R218 WeakPolarHBondContact O-CB 3.48Å; G215-R218 PolarHBondContact O-N 3.33Å; Y216-R218 VanDerWaalsContact C-N 3.28Å; Y216-R218 PolarHBondContact O-N 3.34Å; R218-T221 PolarHBondContact O-N 2.96Å; R218-W222 WeakPolarHBondContact O-CB 3.49Å; R218-W222 PolarHBondContact O-N 3.49Å; R218-D255 IonicContact CZ-OD1 3.48Å; R218-D255 IonicContact CZ-OD2 2.76Å; R218-D255 IonicContact NE-OD1 3.91Å; R218-D255 PolarHBondContact NE-OD1 3.46Å; R218-D255 IonicContact NE-OD2 3.72Å; R218-D255 PolarHBondContact NE-OD2 3.38Å; R218-D255 IonicContact NH2-OD1 3.36Å; R218-D255 IonicContact NH2-OD2 3.63Å; R218-D255 PolarHBondContact NH2-OD2 3.09Å; R218-N257 HydrophobicContact CG-CB 3.93Å; R218-N257 PolarHBondContact NE-ND2 2.92Å; R218-I258 HydrophobicContact CG-CD1 4.48Å; R218-I258 HydrophobicContact CG-CG1 3.83Å |
| 219 | N | 96.5 | Very high | 95.8 | Very high | 27 Ų | 27 | 32.8 Ų | 32.8 | 14% | 0.144 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.9 | -42.4 | 178.5 | -77.9 | -26.6 | 0 | 0 | 0 | 112.1 | E175 V178 G215 Y216 T221 W222 T223 | E175-N219 HydrophobicContact CG-CB 4.46Å; E175-N219 WeakPolarHBondContact CG-ND2 3.49Å; E175-N219 PolarHBondContact OE1-ND2 3.33Å; V178-N219 VanDerWaalsContact CG1-C 3.49Å; V178-N219 HydrophobicContact CG1-CB 4.07Å; V178-N219 WeakPolarHBondContact CG1-O 3.37Å; G215-N219 PolarHBondContact O-N 3.14Å; Y216-N219 PolarHBondContact O-N 2.93Å; N219-T221 PolarHBondContact O-N 3.37Å; N219-W222 PolarHBondContact O-N 2.59Å; N219-T223 PolarHBondContact O-N 3Å; N219-T223 PolarHBondContact O-OG1 3.24Å |
| 220 | L | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.3 | -47.9 | 173.7 | -76.3 | 167.6 | 0 | 0 | 0 | 111.7 | V178 L204 R207 I208 T212 Y216 L217 W222 T223 L224 | V178-L220 HydrophobicContact CB-CD2 4.49Å; V178-L220 HydrophobicContact CG1-CD2 3.98Å; V178-L220 HydrophobicContact CG1-CG 4.23Å; V178-L220 HydrophobicContact CG2-CD2 3.57Å; V178-L220 HydrophobicContact CG2-CG 4.24Å; L204-L220 HydrophobicContact CB-CD2 4.42Å; L204-L220 HydrophobicContact CD2-CD2 3.8Å; R207-L220 HydrophobicContact CB-CD1 3.95Å; R207-L220 HydrophobicContact CB-CD2 4.13Å; I208-L220 HydrophobicContact CG1-CD1 4.06Å; T212-L220 HydrophobicContact CG2-CD1 4.35Å; Y216-L220 HydrophobicContact CD1-CD1 3.77Å; Y216-L220 HydrophobicContact CE1-CD1 3.58Å; Y216-L220 HydrophobicContact CE1-CG 4.31Å; Y216-L220 HydrophobicContact CE2-CD1 4.48Å; Y216-L220 HydrophobicContact CE2-CG 4.38Å; Y216-L220 HydrophobicContact CG-CD1 4.32Å; Y216-L220 PolarHBondContact O-N 3.29Å; L217-L220 HydrophobicContact CD2-CD1 4.22Å; L217-L220 PolarHBondContact O-N 3.04Å; L220-W222 PolarHBondContact O-N 3.06Å; L220-T223 PolarHBondContact O-N 3.29Å; L220-L224 WeakPolarHBondContact O-CB 3.43Å; L220-L224 WeakPolarHBondContact O-CG 3.43Å; L220-L224 PolarHBondContact O-N 3.4Å |
| 221 | T | 98.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.6 | -42.6 | -179.3 | -53.7 | 0 | 0 | 0 | 0 | 111.4 | L217 R218 N219 L224 S225 L250 I258 D261 A262 | L217-T221 VanDerWaalsContact O-CB 3.3Å; L217-T221 WeakPolarHBondContact O-CB 3.31Å; L217-T221 PolarHBondContact O-N 3.48Å; L217-T221 PolarHBondContact O-OG1 2.95Å; R218-T221 PolarHBondContact O-N 2.96Å; N219-T221 PolarHBondContact O-N 3.37Å; T221-L224 PolarHBondContact O-N 3.05Å; T221-S225 WeakPolarHBondContact O-CB 3.38Å; T221-S225 PolarHBondContact O-N 3.33Å; T221-L250 HydrophobicContact CG2-CD1 4.12Å; T221-L250 WeakPolarHBondContact OG1-CD1 3.31Å; T221-I258 HydrophobicContact CG2-CG2 4.23Å; T221-D261 HydrophobicContact CG2-CB 3.87Å; T221-A262 HydrophobicContact CG2-CB 3.83Å |
| 222 | W | 97.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.008 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.7 | -47.3 | 175.6 | 179.2 | 66.1 | 0 | 0 | 0 | 111.9 | R47 W179 N183 R218 N219 L220 L224 S225 N226 D261 | R47-W222 HydrophobicContact CB-CH2 4.19Å; R47-W222 HydrophobicContact CB-CZ2 4.1Å; R47-W222 HydrophobicContact CG-CH2 4.34Å; R47-W222 HydrophobicContact CG-CZ2 3.74Å; R47-W222 VanDerWaalsContact NH1-CD1 3.32Å; W179-W222 AromaticContact CD1-CZ3 3.79Å; N183-W222 WeakPolarHBondContact OD1-CH2 3.33Å; R218-W222 WeakPolarHBondContact O-CB 3.49Å; R218-W222 PolarHBondContact O-N 3.49Å; N219-W222 PolarHBondContact O-N 2.59Å; L220-W222 PolarHBondContact O-N 3.06Å; W222-L224 PolarHBondContact O-N 3.19Å; W222-S225 WeakPolarHBondContact O-CB 3.24Å; W222-S225 PolarHBondContact O-N 3.01Å; W222-S225 VanDerWaalsContact O-N 3.14Å; W222-S225 PolarHBondContact O-OG 3.25Å; W222-N226 WeakPolarHBondContact CZ2-ND2 3.33Å; W222-N226 PolarHBondContact O-N 2.79Å; W222-N226 VanDerWaalsContact O-N 3.1Å; W222-D261 WeakPolarHBondContact CB-OD2 3.45Å |
| 223 | T | 98.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.6 | -43.2 | 177.5 | -66.5 | 0 | 0 | 0 | 0 | 111.9 | V178 L181 G182 L204 N219 L220 S225 N226 L227 | V178-T223 PolarHBondContact O-OG1 3.46Å; L181-T223 HydrophobicContact CB-CG2 4.39Å; G182-T223 VanDerWaalsContact CA-OG1 3.29Å; G182-T223 WeakPolarHBondContact CA-OG1 3.47Å; L204-T223 HydrophobicContact CD1-CG2 3.77Å; L204-T223 HydrophobicContact CD2-CG2 4.26Å; N219-T223 PolarHBondContact O-N 3Å; N219-T223 PolarHBondContact O-OG1 3.24Å; L220-T223 PolarHBondContact O-N 3.29Å; T223-S225 VanDerWaalsContact C-N 3.29Å; T223-S225 PolarHBondContact O-N 2.92Å; T223-N226 PolarHBondContact O-N 3.47Å; T223-L227 PolarHBondContact O-N 3.29Å; T223-L227 VanDerWaalsContact O-N 3.07Å |
| 224 | L | 98.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.3 | -37.6 | 173 | -70.9 | 175 | 0 | 0 | 0 | 112.3 | L204 L205 I208 L220 T221 W222 N226 L227 C228 M243 L247 L250 | L204-L224 HydrophobicContact CB-CD2 4.38Å; L204-L224 HydrophobicContact CD1-CD2 4.19Å; L205-L224 HydrophobicContact CD2-CD1 4.17Å; L205-L224 HydrophobicContact CD2-CD2 4.11Å; I208-L224 HydrophobicContact CD1-CD1 3.76Å; L220-L224 WeakPolarHBondContact O-CB 3.43Å; L220-L224 WeakPolarHBondContact O-CG 3.43Å; L220-L224 PolarHBondContact O-N 3.4Å; T221-L224 PolarHBondContact O-N 3.05Å; W222-L224 PolarHBondContact O-N 3.19Å; L224-N226 VanDerWaalsContact C-N 3.34Å; L224-N226 PolarHBondContact O-N 3.29Å; L224-L227 HydrophobicContact CD2-CD1 4.4Å; L224-L227 WeakPolarHBondContact O-CB 3.23Å; L224-L227 PolarHBondContact O-N 3.28Å; L224-C228 PolarHBondContact O-N 2.89Å; L224-C228 PolarHBondContact O-SG 3.2Å; L224-M243 HydrophobicContact CD2-CG 4.05Å; L224-M243 HydrophobicContact CD2-SD 3.87Å; L224-L247 HydrophobicContact CB-CD2 4.15Å; L224-L247 HydrophobicContact CD1-CD2 4.41Å; L224-L250 HydrophobicContact CD1-CD1 4.28Å |
| 225 | S | 97.5 | Very high | 93.1 | Very high | 4 Ų | 4 | 26.5 Ų | 26.5 | 3% | 0.028 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.5 | -39 | 176.3 | 84.9 | 0 | 0 | 0 | 0 | 112.2 | T221 W222 T223 L227 C228 R229 D261 | T221-S225 WeakPolarHBondContact O-CB 3.38Å; T221-S225 PolarHBondContact O-N 3.33Å; W222-S225 WeakPolarHBondContact O-CB 3.24Å; W222-S225 PolarHBondContact O-N 3.01Å; W222-S225 VanDerWaalsContact O-N 3.14Å; W222-S225 PolarHBondContact O-OG 3.25Å; T223-S225 VanDerWaalsContact C-N 3.29Å; T223-S225 PolarHBondContact O-N 2.92Å; S225-L227 VanDerWaalsContact C-N 3.33Å; S225-C228 WeakPolarHBondContact O-CB 3.44Å; S225-C228 PolarHBondContact O-N 3.45Å; S225-C228 VanDerWaalsContact O-N 3.14Å; S225-R229 PolarHBondContact O-N 3.09Å; S225-D261 WeakPolarHBondContact CB-O 3.48Å |
| 226 | N | 97.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.4 | -34.2 | 174.7 | -78.9 | -12.5 | 0 | 0 | 0 | 111.9 | G182 A185 W222 T223 L224 C228 R229 | G182-N226 PolarHBondContact O-ND2 3.29Å; A185-N226 HydrophobicContact CB-CB 3.83Å; W222-N226 WeakPolarHBondContact CZ2-ND2 3.33Å; W222-N226 PolarHBondContact O-N 2.79Å; W222-N226 VanDerWaalsContact O-N 3.1Å; T223-N226 PolarHBondContact O-N 3.47Å; L224-N226 VanDerWaalsContact C-N 3.34Å; L224-N226 PolarHBondContact O-N 3.29Å; N226-C228 PolarHBondContact O-N 2.82Å; N226-R229 WeakPolarHBondContact O-CB 3.39Å; N226-R229 PolarHBondContact O-N 3.29Å |
| 227 | L | 98 | Very high | 93 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.2 | -20.1 | 172.8 | -68.2 | 173.1 | 0 | 0 | 0 | 113.7 | A185 R192 L195 I196 V200 I201 L204 T223 L224 S225 M243 | A185-L227 HydrophobicContact CB-CD2 3.88Å; A185-L227 HydrophobicContact CB-CG 4.3Å; R192-L227 WeakPolarHBondContact CD-O 2.88Å; R192-L227 HydrophobicContact CG-CD2 4.19Å; L195-L227 HydrophobicContact CB-CD2 4.29Å; L195-L227 HydrophobicContact CD1-CD2 4.3Å; I196-L227 HydrophobicContact CG1-CD2 4.27Å; V200-L227 HydrophobicContact CG1-CD1 3.8Å; V200-L227 HydrophobicContact CG1-CD2 4.07Å; I201-L227 HydrophobicContact CG1-CD1 4.12Å; L204-L227 HydrophobicContact CD1-CD1 3.62Å; T223-L227 PolarHBondContact O-N 3.29Å; T223-L227 VanDerWaalsContact O-N 3.07Å; L224-L227 HydrophobicContact CD2-CD1 4.4Å; L224-L227 WeakPolarHBondContact O-CB 3.23Å; L224-L227 PolarHBondContact O-N 3.28Å; S225-L227 VanDerWaalsContact C-N 3.33Å; L227-M243 HydrophobicContact CB-CE 4.2Å; L227-M243 HydrophobicContact CB-SD 3.79Å; L227-M243 HydrophobicContact CD1-SD 4.24Å |
| 228 | C | 95.7 | Very high | 92.8 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.014 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -8.2 | 176 | -63.5 | 0 | 0 | 0 | 0 | 113.5 | L224 S225 N226 A265 Y268 L269 | L224-C228 PolarHBondContact O-N 2.89Å; L224-C228 PolarHBondContact O-SG 3.2Å; S225-C228 WeakPolarHBondContact O-CB 3.44Å; S225-C228 PolarHBondContact O-N 3.45Å; S225-C228 VanDerWaalsContact O-N 3.14Å; N226-C228 PolarHBondContact O-N 2.82Å; C228-A265 HydrophobicContact CB-CB 4.26Å; C228-Y268 HydrophobicContact CB-CD2 4.42Å; C228-Y268 VanDerWaalsContact O-CB 3.23Å; C228-Y268 WeakPolarHBondContact O-CB 3.39Å; C228-L269 HydrophobicContact CB-CD2 3.83Å; C228-L269 HydrophobicContact CB-CG 3.95Å |
| 229 | R | 89.2 | Confident | 92.8 | Very high | 14 Ų | 14 | 29.1 Ų | 29.1 | 5% | 0.053 | 16% | 0.164 | C | C | . | . | trans | -88.9 | 160.7 | -166.5 | -160.5 | 168.1 | -165 | -132.3 | -7.1 | 113 | S43 L45 R192 S225 N226 Y268 | S43-R229 PolarHBondContact O-NH1 3.22Å; S43-R229 PolarHBondContact O-NH2 2.89Å; L45-R229 VanDerWaalsContact CD1-NH1 3.33Å; L45-R229 VanDerWaalsContact N-NH1 3.16Å; R192-R229 WeakPolarHBondContact CD-O 3.44Å; R192-R229 PolarHBondContact NH1-O 2.99Å; S225-R229 PolarHBondContact O-N 3.09Å; N226-R229 WeakPolarHBondContact O-CB 3.39Å; N226-R229 PolarHBondContact O-N 3.29Å; R229-Y268 HydrophobicContact CB-CD2 3.83Å; R229-Y268 HydrophobicContact CB-CE2 3.95Å; R229-Y268 HydrophobicContact CB-CG 4.45Å; R229-Y268 HydrophobicContact CG-CD2 3.91Å; R229-Y268 HydrophobicContact CG-CE1 4.36Å; R229-Y268 HydrophobicContact CG-CE2 3.71Å; R229-Y268 HydrophobicContact CG-CG 4.32Å; R229-Y268 PolarHBondContact NE-OH 3.36Å | ||
| 230 | N | 82.6 | Confident | 92.8 | Very high | 20 Ų | 20 | 28.1 Ų | 28.1 | 11% | 0.107 | 16% | 0.159 | C | C | . | . | trans | 74.1 | 135.9 | 179.9 | -46.2 | -76 | 0 | 0 | 0 | 114.4 | E42 P189 R192 C234 | E42-N230 WeakPolarHBondContact OE2-CA 3.44Å; P189-N230 HydrophobicContact CB-CB 4.1Å; P189-N230 HydrophobicContact CG-CB 4.32Å; R192-N230 PolarHBondContact NH1-O 3.44Å; N230-C234 WeakPolarHBondContact O-CA 3.36Å | ||
| 231 | K | 73.4 | Confident | 92.6 | Very high | 52 Ų | 52 | 33.3 Ų | 33.3 | 23% | 0.226 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -106.1 | -6.9 | -176.8 | -60 | 178.5 | -153.2 | 165.5 | 0 | 115.4 | P233 C234 D271 | K231-P233 CarbonylContact C-O 3.58Å; K231-P233 CarbonylContact O-C 3.26Å; K231-P233 VanDerWaalsContact O-C 3.26Å; K231-C234 VanDerWaalsContact C-N 3.26Å; K231-C234 VanDerWaalsContact CA-SG 3.56Å; K231-C234 PolarHBondContact O-N 3.4Å; K231-C234 PolarHBondContact O-SG 2.98Å; K231-D271 WeakPolarHBondContact CE-OD1 3.43Å; K231-D271 WeakPolarHBondContact CE-OD2 3.35Å; K231-D271 IonicContact NZ-OD1 3.91Å; K231-D271 PolarHBondContact NZ-OD1 2.76Å; K231-D271 IonicContact NZ-OD2 3.47Å; K231-D271 PolarHBondContact NZ-OD2 3.36Å |
| 232 | M | 79.9 | Confident | 92.5 | Very high | 171 Ų | 171 | 37.3 Ų | 37.3 | 84% | 0.842 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -126.8 | 84.9 | -176.6 | -73.1 | -173.3 | 51.8 | 0 | 0 | 111.7 | P189 | P189-M232 VanDerWaalsContact CG-O 3.32Å; P189-M232 WeakPolarHBondContact CG-O 3.46Å |
| 233 | P | 87.6 | Confident | 92.5 | Very high | 75 Ų | 75 | 37.2 Ų | 37.2 | 49% | 0.487 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -75.6 | 159.4 | -9.5 | 30.1 | -36.7 | 0 | 0 | 0 | 113.4 | P189 R192 K231 | P189-P233 HydrophobicContact CB-CG 4.41Å; R192-P233 VanDerWaalsContact CZ-O 3.29Å; R192-P233 PolarHBondContact NH1-O 3.07Å; R192-P233 PolarHBondContact NH2-O 3.35Å; K231-P233 CarbonylContact C-O 3.58Å; K231-P233 CarbonylContact O-C 3.26Å; K231-P233 VanDerWaalsContact O-C 3.26Å |
| 234 | C | 88.8 | Confident | 92.4 | Very high | 39 Ų | 39 | 37.5 Ų | 37.5 | 26% | 0.264 | 20% | 0.203 | S | C | . | . | P | Polyproline II helix | trans | -66.5 | 154.1 | 167 | -65.8 | 0 | 0 | 0 | 0 | 110.8 | N230 K231 R276 | N230-C234 WeakPolarHBondContact O-CA 3.36Å; K231-C234 VanDerWaalsContact C-N 3.26Å; K231-C234 VanDerWaalsContact CA-SG 3.56Å; K231-C234 PolarHBondContact O-N 3.4Å; K231-C234 PolarHBondContact O-SG 2.98Å; C234-R276 VanDerWaalsContact CB-CZ 3.43Å; C234-R276 VanDerWaalsContact CB-NH2 3.25Å |
| 235 | P | 93.3 | Very high | 92.4 | Very high | 4 Ų | 4 | 40.9 Ų | 40.9 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -59.7 | 145.5 | 173.9 | 25.1 | -34 | 0 | 0 | 0 | 111.2 | V240 L269 R276 | P235-V240 HydrophobicContact CB-CG2 4.4Å; P235-V240 HydrophobicContact CG-CG2 4.1Å; P235-L269 HydrophobicContact CG-CD2 4.38Å; P235-R276 PolarHBondContact O-NH1 3.14Å; P235-R276 PolarHBondContact O-NH2 3.18Å |
| 236 | P | 94.3 | Very high | 92.4 | Very high | 50 Ų | 50 | 41.5 Ų | 41.5 | 33% | 0.325 | 23% | 0.229 | S | C | . | . | P | Polyproline II helix | trans | -55.1 | 141.3 | 178.1 | -26.1 | 34.1 | 0 | 0 | 0 | 112.4 | S238 A239 V240 | P236-S238 VanDerWaalsContact C-N 3.25Å; P236-S238 PolarHBondContact O-N 3.31Å; P236-A239 HydrophobicContact CB-CB 4.32Å; P236-A239 WeakPolarHBondContact O-CB 3.38Å; P236-A239 PolarHBondContact O-N 3.26Å; P236-V240 PolarHBondContact O-N 3.25Å; P236-V240 VanDerWaalsContact O-N 3.13Å |
| 237 | L | 91.9 | Very high | 92.5 | Very high | 79 Ų | 79 | 41.4 Ų | 41.4 | 41% | 0.414 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.7 | -36 | -177 | -170.8 | 63 | 0 | 0 | 0 | 112.6 | A239 V240 Q241 V279 | L237-A239 VanDerWaalsContact C-N 3.29Å; L237-A239 PolarHBondContact O-N 3.2Å; L237-V240 WeakPolarHBondContact O-CB 3.48Å; L237-V240 PolarHBondContact O-N 3.35Å; L237-Q241 WeakPolarHBondContact O-CG 3.24Å; L237-Q241 PolarHBondContact O-N 3.14Å; L237-V279 HydrophobicContact CD1-CG2 4.17Å |
| 238 | S | 94.9 | Very high | 92.4 | Very high | 70 Ų | 70 | 42.8 Ų | 42.8 | 49% | 0.49 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.3 | -33 | 175.6 | 55.2 | 0 | 0 | 0 | 0 | 113 | P236 Q242 | P236-S238 VanDerWaalsContact C-N 3.25Å; P236-S238 PolarHBondContact O-N 3.31Å; S238-Q242 WeakPolarHBondContact O-CG 3.42Å; S238-Q242 PolarHBondContact O-N 3.42Å; S238-Q242 PolarHBondContact O-NE2 2.97Å |
| 239 | A | 96.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.8 | -44.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | I196 I201 P236 L237 Q241 Q242 M243 | I196-A239 HydrophobicContact CD1-CB 4.03Å; I196-A239 HydrophobicContact CG1-CB 4.49Å; I196-A239 HydrophobicContact CG2-CB 3.89Å; I201-A239 HydrophobicContact CD1-CB 3.45Å; I201-A239 VanDerWaalsContact CD1-CB 3.45Å; P236-A239 HydrophobicContact CB-CB 4.32Å; P236-A239 WeakPolarHBondContact O-CB 3.38Å; P236-A239 PolarHBondContact O-N 3.26Å; L237-A239 VanDerWaalsContact C-N 3.29Å; L237-A239 PolarHBondContact O-N 3.2Å; A239-Q241 PolarHBondContact O-N 2.73Å; A239-Q242 PolarHBondContact O-N 3.45Å; A239-M243 HydrophobicContact CB-CE 4.5Å; A239-M243 PolarHBondContact O-N 3.34Å; A239-M243 VanDerWaalsContact O-N 3.11Å |
| 240 | V | 95.1 | Very high | 92.9 | Very high | 6 Ų | 6 | 48.2 Ų | 48.2 | 4% | 0.036 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.2 | -49 | 175.7 | 177.7 | 0 | 0 | 0 | 0 | 111 | P235 P236 L237 Q242 M243 L244 L269 V279 | P235-V240 HydrophobicContact CB-CG2 4.4Å; P235-V240 HydrophobicContact CG-CG2 4.1Å; P236-V240 PolarHBondContact O-N 3.25Å; P236-V240 VanDerWaalsContact O-N 3.13Å; L237-V240 WeakPolarHBondContact O-CB 3.48Å; L237-V240 PolarHBondContact O-N 3.35Å; V240-Q242 VanDerWaalsContact C-N 3.25Å; V240-Q242 PolarHBondContact O-N 3.5Å; V240-M243 PolarHBondContact O-N 3.07Å; V240-L244 VanDerWaalsContact O-CB 3.23Å; V240-L244 WeakPolarHBondContact O-CB 3.34Å; V240-L244 PolarHBondContact O-N 2.68Å; V240-L269 HydrophobicContact CB-CD2 4.24Å; V240-L269 HydrophobicContact CG1-CD1 4.02Å; V240-L269 HydrophobicContact CG1-CD2 3.77Å; V240-L269 HydrophobicContact CG1-CG 4.37Å; V240-L269 HydrophobicContact CG2-CD2 3.56Å; V240-V279 HydrophobicContact CG1-CG1 4.43Å |
| 241 | Q | 94.7 | Very high | 93.6 | Very high | 109 Ų | 109 | 47.2 Ų | 47.2 | 51% | 0.509 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.4 | -32.8 | -180 | -74 | 173.3 | -31.2 | 0 | 0 | 113.2 | L237 A239 P245 | L237-Q241 WeakPolarHBondContact O-CG 3.24Å; L237-Q241 PolarHBondContact O-N 3.14Å; A239-Q241 PolarHBondContact O-N 2.73Å; Q241-P245 WeakPolarHBondContact O-CD 3.16Å |
| 242 | Q | 97.2 | Very high | 94.7 | Very high | 84 Ų | 84 | 50.3 Ų | 50.3 | 39% | 0.393 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -72.1 | -44.4 | 175.2 | -75.7 | 171 | 76.8 | 0 | 0 | 112.3 | I201 L205 S238 A239 V240 | I201-Q242 HydrophobicContact CG2-CB 3.78Å; L205-Q242 HydrophobicContact CD1-CB 4.45Å; L205-Q242 VanDerWaalsContact CD1-O 3.23Å; L205-Q242 WeakPolarHBondContact CD1-O 3.49Å; S238-Q242 WeakPolarHBondContact O-CG 3.42Å; S238-Q242 PolarHBondContact O-N 3.42Å; S238-Q242 PolarHBondContact O-NE2 2.97Å; A239-Q242 PolarHBondContact O-N 3.45Å; V240-Q242 VanDerWaalsContact C-N 3.25Å; V240-Q242 PolarHBondContact O-N 3.5Å |
| 243 | M | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -76.9 | -33 | -175 | -67 | -174.5 | -68.4 | 0 | 0 | 113.4 | I201 L224 L227 A239 V240 S246 L247 | I201-M243 HydrophobicContact CB-CG 4.5Å; I201-M243 HydrophobicContact CD1-CE 4.04Å; I201-M243 HydrophobicContact CD1-CG 3.98Å; I201-M243 HydrophobicContact CD1-SD 3.86Å; I201-M243 HydrophobicContact CG1-CG 4.05Å; I201-M243 HydrophobicContact CG1-SD 3.95Å; I201-M243 HydrophobicContact CG2-CG 3.66Å; L224-M243 HydrophobicContact CD2-CG 4.05Å; L224-M243 HydrophobicContact CD2-SD 3.87Å; L227-M243 HydrophobicContact CB-CE 4.2Å; L227-M243 HydrophobicContact CB-SD 3.79Å; L227-M243 HydrophobicContact CD1-SD 4.24Å; A239-M243 HydrophobicContact CB-CE 4.5Å; A239-M243 PolarHBondContact O-N 3.34Å; A239-M243 VanDerWaalsContact O-N 3.11Å; V240-M243 PolarHBondContact O-N 3.07Å; M243-S246 PolarHBondContact O-N 3.05Å; M243-S246 VanDerWaalsContact O-N 3.15Å; M243-L247 HydrophobicContact CB-CD1 4.26Å; M243-L247 PolarHBondContact O-N 3.02Å; M243-L247 VanDerWaalsContact O-N 3.08Å |
| 244 | L | 96.8 | Very high | 95.8 | Very high | 6 Ų | 6 | 47.1 Ų | 47.1 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.5 | -43.4 | -168.3 | -171.9 | 59.8 | 0 | 0 | 0 | 114.3 | V240 S246 L247 I248 I266 L269 V279 T283 | V240-L244 VanDerWaalsContact O-CB 3.23Å; V240-L244 WeakPolarHBondContact O-CB 3.34Å; V240-L244 PolarHBondContact O-N 2.68Å; L244-S246 VanDerWaalsContact C-N 3.32Å; L244-S246 PolarHBondContact O-N 3.04Å; L244-L247 PolarHBondContact O-N 3.2Å; L244-I248 HydrophobicContact CD1-CD1 4.44Å; L244-I248 HydrophobicContact CG-CD1 4.08Å; L244-I248 VanDerWaalsContact O-CD1 3.28Å; L244-I248 WeakPolarHBondContact O-CD1 3.13Å; L244-I248 WeakPolarHBondContact O-CG1 3.49Å; L244-I248 PolarHBondContact O-N 2.99Å; L244-I266 HydrophobicContact CD1-CD1 3.62Å; L244-L269 HydrophobicContact CD1-CD1 4.11Å; L244-V279 HydrophobicContact CD2-CG1 3.74Å; L244-V279 WeakPolarHBondContact CD2-O 3.29Å; L244-T283 HydrophobicContact CD2-CG2 3.49Å; L244-T283 VanDerWaalsContact CD2-CG2 3.49Å; L244-T283 HydrophobicContact CG-CG2 3.82Å |
| 245 | P | 97.5 | Very high | 96.2 | Very high | 72 Ų | 72 | 46.4 Ų | 46.4 | 47% | 0.468 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -56.2 | -42.3 | 176.1 | -26.7 | 36.2 | 0 | 0 | 0 | 113.7 | Q241 I248 Q249 | Q241-P245 WeakPolarHBondContact O-CD 3.16Å; P245-I248 PolarHBondContact O-N 3.04Å; P245-Q249 WeakPolarHBondContact O-CG 3.33Å; P245-Q249 PolarHBondContact O-N 3.42Å |
| 246 | S | 98 | Very high | 96.4 | Very high | 16 Ų | 16 | 51 Ų | 51 | 11% | 0.112 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -72 | -39.1 | 178.8 | -62.6 | 0 | 0 | 0 | 0 | 111.8 | M243 L244 I248 Q249 L250 | M243-S246 PolarHBondContact O-N 3.05Å; M243-S246 VanDerWaalsContact O-N 3.15Å; L244-S246 VanDerWaalsContact C-N 3.32Å; L244-S246 PolarHBondContact O-N 3.04Å; S246-I248 VanDerWaalsContact C-N 3.26Å; S246-I248 PolarHBondContact O-N 3.4Å; S246-Q249 PolarHBondContact O-N 2.93Å; S246-L250 VanDerWaalsContact O-CG 3.24Å; S246-L250 WeakPolarHBondContact O-CG 3.37Å; S246-L250 PolarHBondContact O-N 3.2Å |
| 247 | L | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.6 | -37.3 | 174.6 | -69.7 | 172.3 | 0 | 0 | 0 | 112.2 | L224 M243 L244 L250 L251 A265 I266 L269 | L224-L247 HydrophobicContact CB-CD2 4.15Å; L224-L247 HydrophobicContact CD1-CD2 4.41Å; M243-L247 HydrophobicContact CB-CD1 4.26Å; M243-L247 PolarHBondContact O-N 3.02Å; M243-L247 VanDerWaalsContact O-N 3.08Å; L244-L247 PolarHBondContact O-N 3.2Å; L247-L250 HydrophobicContact CD2-CD1 4.46Å; L247-L250 PolarHBondContact O-N 2.89Å; L247-L251 WeakPolarHBondContact O-CG 3.4Å; L247-L251 PolarHBondContact O-N 3.3Å; L247-L251 VanDerWaalsContact O-N 3.07Å; L247-A265 HydrophobicContact CD1-CB 3.87Å; L247-A265 HydrophobicContact CD2-CB 3.77Å; L247-A265 HydrophobicContact CG-CB 4.45Å; L247-I266 HydrophobicContact CB-CD1 4.2Å; L247-I266 HydrophobicContact CD1-CD1 4.43Å; L247-L269 HydrophobicContact CD1-CD1 3.88Å |
| 248 | I | 97.2 | Very high | 96.7 | Very high | 30 Ų | 30 | 48.4 Ų | 48.4 | 15% | 0.154 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.9 | -47.8 | 174.8 | -67.7 | 152.3 | 0 | 0 | 0 | 110.7 | L244 P245 S246 L250 L251 H252 T283 I285 | L244-I248 HydrophobicContact CD1-CD1 4.44Å; L244-I248 HydrophobicContact CG-CD1 4.08Å; L244-I248 VanDerWaalsContact O-CD1 3.28Å; L244-I248 WeakPolarHBondContact O-CD1 3.13Å; L244-I248 WeakPolarHBondContact O-CG1 3.49Å; L244-I248 PolarHBondContact O-N 2.99Å; P245-I248 PolarHBondContact O-N 3.04Å; S246-I248 VanDerWaalsContact C-N 3.26Å; S246-I248 PolarHBondContact O-N 3.4Å; I248-L250 VanDerWaalsContact C-N 3.28Å; I248-L250 PolarHBondContact O-N 2.67Å; I248-L251 WeakPolarHBondContact O-CB 3.4Å; I248-L251 PolarHBondContact O-N 2.95Å; I248-L251 VanDerWaalsContact O-N 3.1Å; I248-H252 PolarHBondContact O-CD2 3.16Å; I248-H252 PolarHBondContact O-N 3.34Å; I248-T283 HydrophobicContact CD1-CG2 3.55Å; I248-I285 HydrophobicContact CB-CD1 4.44Å; I248-I285 HydrophobicContact CG1-CD1 4.24Å; I248-I285 HydrophobicContact CG2-CD1 4.12Å |
| 249 | Q | 96.8 | Very high | 96.9 | Very high | 126 Ų | 126 | 45.1 Ų | 45.1 | 59% | 0.589 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -57.1 | -44 | 176.5 | -70.6 | 177.3 | -6.7 | 0 | 0 | 111.5 | P245 S246 L251 H252 | P245-Q249 WeakPolarHBondContact O-CG 3.33Å; P245-Q249 PolarHBondContact O-N 3.42Å; S246-Q249 PolarHBondContact O-N 2.93Å; Q249-L251 VanDerWaalsContact C-N 3.28Å; Q249-L251 PolarHBondContact O-N 3.34Å; Q249-H252 PolarHBondContact O-N 2.97Å |
| 250 | L | 97.6 | Very high | 96.9 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.7 | -34.1 | 177.4 | -68.2 | 167.4 | 0 | 0 | 0 | 112.6 | I208 L217 T221 L224 S246 L247 I248 H252 L253 I258 A262 | I208-L250 HydrophobicContact CD1-CD1 4.3Å; L217-L250 HydrophobicContact CD2-CD2 4.2Å; T221-L250 HydrophobicContact CG2-CD1 4.12Å; T221-L250 WeakPolarHBondContact OG1-CD1 3.31Å; L224-L250 HydrophobicContact CD1-CD1 4.28Å; S246-L250 VanDerWaalsContact O-CG 3.24Å; S246-L250 WeakPolarHBondContact O-CG 3.37Å; S246-L250 PolarHBondContact O-N 3.2Å; L247-L250 HydrophobicContact CD2-CD1 4.46Å; L247-L250 PolarHBondContact O-N 2.89Å; I248-L250 VanDerWaalsContact C-N 3.28Å; I248-L250 PolarHBondContact O-N 2.67Å; L250-H252 PolarHBondContact O-N 3.14Å; L250-L253 HydrophobicContact CD2-CD1 3.92Å; L250-L253 WeakPolarHBondContact O-CB 3.21Å; L250-L253 PolarHBondContact O-N 2.53Å; L250-I258 HydrophobicContact CB-CG2 3.88Å; L250-I258 HydrophobicContact CD2-CG2 3.92Å; L250-I258 HydrophobicContact CG-CG2 4.45Å; L250-A262 HydrophobicContact CB-CB 4.26Å |
| 251 | L | 97.3 | Very high | 97 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.9 | -16 | 175.7 | -78.1 | 170 | 0 | 0 | 0 | 114.1 | L247 I248 Q249 L259 A262 C263 I266 I285 R288 L292 | L247-L251 WeakPolarHBondContact O-CG 3.4Å; L247-L251 PolarHBondContact O-N 3.3Å; L247-L251 VanDerWaalsContact O-N 3.07Å; I248-L251 WeakPolarHBondContact O-CB 3.4Å; I248-L251 PolarHBondContact O-N 2.95Å; I248-L251 VanDerWaalsContact O-N 3.1Å; Q249-L251 VanDerWaalsContact C-N 3.28Å; Q249-L251 PolarHBondContact O-N 3.34Å; L251-L259 HydrophobicContact CD2-CD2 4.45Å; L251-L259 WeakPolarHBondContact O-CD2 3.22Å; L251-A262 HydrophobicContact CD2-CB 3.76Å; L251-A262 HydrophobicContact CG-CB 3.82Å; L251-C263 HydrophobicContact CD2-CB 4.43Å; L251-C263 WeakPolarHBondContact CD2-SG 3.36Å; L251-I266 HydrophobicContact CD1-CD1 4.42Å; L251-I266 HydrophobicContact CD1-CG1 3.57Å; L251-I285 HydrophobicContact CB-CD1 4.08Å; L251-I285 HydrophobicContact CD1-CD1 3.6Å; L251-I285 HydrophobicContact CD1-CG1 3.75Å; L251-I285 HydrophobicContact CG-CD1 4.49Å; L251-R288 HydrophobicContact CB-CG 4.47Å; L251-R288 VanDerWaalsContact O-CZ 3.26Å; L251-R288 PolarHBondContact O-NE 3.32Å; L251-R288 PolarHBondContact O-NH2 3.38Å; L251-L292 HydrophobicContact CD2-CD1 3.76Å |
| 252 | H | 96.4 | Very high | 97.2 | Very high | 117 Ų | 117 | 40.7 Ų | 40.7 | 54% | 0.542 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -4.4 | 175.2 | -71.4 | -73.5 | 0 | 0 | 0 | 113.6 | I248 Q249 L250 | I248-H252 PolarHBondContact O-CD2 3.16Å; I248-H252 PolarHBondContact O-N 3.34Å; Q249-H252 PolarHBondContact O-N 2.97Å; L250-H252 PolarHBondContact O-N 3.14Å |
| 253 | L | 96.2 | Very high | 97.2 | Very high | 69 Ų | 69 | 36.7 Ų | 36.7 | 36% | 0.361 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -74.4 | 166.4 | 174.1 | -59.1 | -176.2 | 0 | 0 | 0 | 112 | L217 L250 I258 L259 | L217-L253 HydrophobicContact CD1-CD1 4.03Å; L250-L253 HydrophobicContact CD2-CD1 3.92Å; L250-L253 WeakPolarHBondContact O-CB 3.21Å; L250-L253 PolarHBondContact O-N 2.53Å; L253-I258 HydrophobicContact CD1-CD1 4.02Å; L253-I258 HydrophobicContact CD1-CG2 4.27Å; L253-L259 WeakPolarHBondContact O-CD2 3.35Å |
| 254 | S | 95.4 | Very high | 97.2 | Very high | 109 Ų | 109 | 39.8 Ų | 39.8 | 76% | 0.762 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -93.5 | -19.4 | -178 | 55.6 | 0 | 0 | 0 | 0 | 113.9 | K256 | S254-K256 PolarHBondContact O-N 3.32Š|
| 255 | D | 97.4 | Very high | 97.2 | Very high | 25 Ų | 25 | 39.5 Ų | 39.5 | 13% | 0.134 | 21% | 0.208 | C | C | . | . | trans | -68 | 127 | -177.4 | -174.8 | -98.1 | 0 | 0 | 0 | 112.2 | V214 R218 N257 I258 L259 | V214-D255 HydrophobicContact CG1-CB 3.87Å; R218-D255 IonicContact CZ-OD1 3.48Å; R218-D255 IonicContact CZ-OD2 2.76Å; R218-D255 IonicContact NE-OD1 3.91Å; R218-D255 PolarHBondContact NE-OD1 3.46Å; R218-D255 IonicContact NE-OD2 3.72Å; R218-D255 PolarHBondContact NE-OD2 3.38Å; R218-D255 IonicContact NH2-OD1 3.36Å; R218-D255 IonicContact NH2-OD2 3.63Å; R218-D255 PolarHBondContact NH2-OD2 3.09Å; D255-N257 PolarHBondContact O-N 3.36Å; D255-N257 WeakPolarHBondContact OD1-CB 3.26Å; D255-N257 PolarHBondContact OD1-N 3.38Å; D255-I258 HydrophobicContact CB-CB 4.14Å; D255-I258 HydrophobicContact CB-CD1 3.83Å; D255-I258 HydrophobicContact CB-CG1 4Å; D255-I258 PolarHBondContact O-N 3.42Å; D255-I258 PolarHBondContact OD1-N 2.86Å; D255-L259 VanDerWaalsContact O-CG 3.29Å; D255-L259 WeakPolarHBondContact O-CG 3.47Å; D255-L259 PolarHBondContact O-N 2.84Å | ||
| 256 | K | 96.9 | Very high | 97.2 | Very high | 100 Ų | 100 | 36.1 Ų | 36.1 | 44% | 0.435 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -67.7 | -34 | -172.7 | -59.9 | -174.4 | -174.5 | -170.6 | 0 | 113.3 | S254 S260 E297 F299 I300 | S254-K256 PolarHBondContact O-N 3.32Å; K256-S260 WeakPolarHBondContact O-CB 3.26Å; K256-S260 PolarHBondContact O-N 2.89Å; K256-E297 HydrophobicContact CD-CG 4.2Å; K256-E297 WeakPolarHBondContact CE-OE1 3.36Å; K256-E297 IonicContact NZ-OE1 3.93Å; K256-E297 PolarHBondContact NZ-OE1 3.18Å; K256-F299 HydrophobicContact CB-CE2 3.87Å; K256-F299 HydrophobicContact CB-CZ 3.96Å; K256-F299 HydrophobicContact CD-CZ 4.29Å; K256-I300 HydrophobicContact CB-CD1 3.98Å; K256-I300 HydrophobicContact CG-CD1 4.23Å |
| 257 | N | 95.3 | Very high | 97.1 | Very high | 74 Ų | 74 | 35.4 Ų | 35.4 | 40% | 0.396 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -74.9 | -41.1 | -179.4 | -65.9 | -39.2 | 0 | 0 | 0 | 110.4 | R218 D255 S260 D261 | R218-N257 HydrophobicContact CG-CB 3.93Å; R218-N257 PolarHBondContact NE-ND2 2.92Å; D255-N257 PolarHBondContact O-N 3.36Å; D255-N257 WeakPolarHBondContact OD1-CB 3.26Å; D255-N257 PolarHBondContact OD1-N 3.38Å; N257-S260 WeakPolarHBondContact O-CB 3.36Å; N257-S260 PolarHBondContact O-N 3.21Å; N257-D261 PolarHBondContact O-N 3.33Å |
| 258 | I | 98 | Very high | 96.9 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.3 | -50.7 | 171.7 | -64.2 | 177 | 0 | 0 | 0 | 110.3 | V214 L217 R218 T221 L250 L253 D255 S260 D261 A262 | V214-I258 HydrophobicContact CG1-CD1 4.25Å; L217-I258 HydrophobicContact CB-CD1 3.54Å; L217-I258 HydrophobicContact CB-CG1 4.38Å; L217-I258 HydrophobicContact CD1-CD1 4.22Å; R218-I258 HydrophobicContact CG-CD1 4.48Å; R218-I258 HydrophobicContact CG-CG1 3.83Å; T221-I258 HydrophobicContact CG2-CG2 4.23Å; L250-I258 HydrophobicContact CB-CG2 3.88Å; L250-I258 HydrophobicContact CD2-CG2 3.92Å; L250-I258 HydrophobicContact CG-CG2 4.45Å; L253-I258 HydrophobicContact CD1-CD1 4.02Å; L253-I258 HydrophobicContact CD1-CG2 4.27Å; D255-I258 HydrophobicContact CB-CB 4.14Å; D255-I258 HydrophobicContact CB-CD1 3.83Å; D255-I258 HydrophobicContact CB-CG1 4Å; D255-I258 PolarHBondContact O-N 3.42Å; D255-I258 PolarHBondContact OD1-N 2.86Å; I258-S260 VanDerWaalsContact C-N 3.3Å; I258-S260 PolarHBondContact O-N 2.97Å; I258-D261 PolarHBondContact O-N 3.31Å; I258-A262 WeakPolarHBondContact O-CB 3.2Å; I258-A262 PolarHBondContact O-N 3.34Å |
| 259 | L | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57 | -43.9 | 178.6 | -72.3 | 177.6 | 0 | 0 | 0 | 112.3 | L251 L253 D255 C263 L292 I300 | L251-L259 HydrophobicContact CD2-CD2 4.45Å; L251-L259 WeakPolarHBondContact O-CD2 3.22Å; L253-L259 WeakPolarHBondContact O-CD2 3.35Å; D255-L259 VanDerWaalsContact O-CG 3.29Å; D255-L259 WeakPolarHBondContact O-CG 3.47Å; D255-L259 PolarHBondContact O-N 2.84Å; L259-C263 VanDerWaalsContact O-CB 3.26Å; L259-C263 WeakPolarHBondContact O-CB 3.34Å; L259-C263 PolarHBondContact O-N 2.88Å; L259-C263 PolarHBondContact O-SG 2.88Å; L259-L292 HydrophobicContact CD1-CD2 4Å; L259-L292 HydrophobicContact CD2-CD1 4.36Å; L259-L292 HydrophobicContact CD2-CD2 4.17Å; L259-I300 HydrophobicContact CB-CD1 4.14Å; L259-I300 HydrophobicContact CB-CG1 4.36Å; L259-I300 HydrophobicContact CB-CG2 4.47Å; L259-I300 HydrophobicContact CD1-CD1 4.24Å |
| 260 | S | 96.6 | Very high | 96.6 | Very high | 11 Ų | 11 | 29.7 Ų | 29.7 | 8% | 0.077 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.6 | -55.8 | 177.8 | 176.7 | 0 | 0 | 0 | 0 | 112.4 | K256 N257 I258 C263 W264 F299 | K256-S260 WeakPolarHBondContact O-CB 3.26Å; K256-S260 PolarHBondContact O-N 2.89Å; N257-S260 WeakPolarHBondContact O-CB 3.36Å; N257-S260 PolarHBondContact O-N 3.21Å; I258-S260 VanDerWaalsContact C-N 3.3Å; I258-S260 PolarHBondContact O-N 2.97Å; S260-C263 PolarHBondContact O-N 3.49Å; S260-W264 PolarHBondContact O-N 3.37Å; S260-F299 PolarHBondContact OG-O 2.98Å; S260-F299 VanDerWaalsContact OG-O 3.13Å |
| 261 | D | 97.4 | Very high | 96.1 | Very high | 12 Ų | 12 | 30.4 Ų | 30.4 | 6% | 0.064 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70.4 | -34.1 | -175.3 | -72.6 | -20.7 | 0 | 0 | 0 | 111.3 | R47 T221 W222 S225 N257 I258 W264 A265 | R47-D261 IonicContact CZ-OD2 2.79Å; R47-D261 IonicContact NH1-OD2 2.72Å; R47-D261 IonicContact NH2-OD1 3.9Å; R47-D261 PolarHBondContact NH2-OD1 3.13Å; R47-D261 IonicContact NH2-OD2 2.63Å; R47-D261 PolarHBondContact NH2-OD2 2.91Å; T221-D261 HydrophobicContact CG2-CB 3.87Å; W222-D261 WeakPolarHBondContact CB-OD2 3.45Å; S225-D261 WeakPolarHBondContact CB-O 3.48Å; N257-D261 PolarHBondContact O-N 3.33Å; I258-D261 PolarHBondContact O-N 3.31Å; D261-W264 PolarHBondContact O-N 3.03Å; D261-A265 PolarHBondContact O-N 3.02Å |
| 262 | A | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.4 | -40.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | T221 L250 L251 I258 W264 A265 I266 | T221-A262 HydrophobicContact CG2-CB 3.83Å; L250-A262 HydrophobicContact CB-CB 4.26Å; L251-A262 HydrophobicContact CD2-CB 3.76Å; L251-A262 HydrophobicContact CG-CB 3.82Å; I258-A262 WeakPolarHBondContact O-CB 3.2Å; I258-A262 PolarHBondContact O-N 3.34Å; A262-W264 VanDerWaalsContact C-N 3.32Å; A262-W264 PolarHBondContact O-N 3.26Å; A262-A265 WeakPolarHBondContact O-CB 3.49Å; A262-A265 PolarHBondContact O-N 2.82Å; A262-I266 WeakPolarHBondContact O-CG1 3.43Å; A262-I266 PolarHBondContact O-N 3.46Å |
| 263 | C | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.5 | -40.1 | 172.8 | -80.5 | 0 | 0 | 0 | 0 | 111.3 | L251 L259 S260 A265 I266 S267 P303 | L251-C263 HydrophobicContact CD2-CB 4.43Å; L251-C263 WeakPolarHBondContact CD2-SG 3.36Å; L259-C263 VanDerWaalsContact O-CB 3.26Å; L259-C263 WeakPolarHBondContact O-CB 3.34Å; L259-C263 PolarHBondContact O-N 2.88Å; L259-C263 PolarHBondContact O-SG 2.88Å; S260-C263 PolarHBondContact O-N 3.49Å; C263-A265 VanDerWaalsContact C-N 3.35Å; C263-I266 PolarHBondContact O-N 3.32Å; C263-S267 WeakPolarHBondContact O-CB 3.41Å; C263-S267 PolarHBondContact O-N 3.47Å; C263-P303 HydrophobicContact CB-CB 3.7Å; C263-P303 HydrophobicContact CB-CG 3.66Å |
| 264 | W | 97.1 | Very high | 94.8 | Very high | 65 Ų | 65 | 28 Ų | 28 | 25% | 0.246 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.7 | -45.2 | 174.3 | -83.4 | 115.2 | 0 | 0 | 0 | 111.4 | S260 D261 A262 I266 S267 Y268 P303 | S260-W264 PolarHBondContact O-N 3.37Å; D261-W264 PolarHBondContact O-N 3.03Å; A262-W264 VanDerWaalsContact C-N 3.32Å; A262-W264 PolarHBondContact O-N 3.26Å; W264-I266 PolarHBondContact O-N 2.81Å; W264-S267 WeakPolarHBondContact O-CB 3.49Å; W264-S267 PolarHBondContact O-N 2.87Å; W264-S267 VanDerWaalsContact O-N 3.1Å; W264-S267 PolarHBondContact O-OG 2.98Å; W264-Y268 HydrophobicContact CB-CE2 4.07Å; W264-Y268 AromaticContact CE3-CE1 3.67Å; W264-Y268 HydrophobicContact CE3-CE1 3.67Å; W264-Y268 AromaticContact CE3-CZ 3.73Å; W264-Y268 HydrophobicContact CZ3-CE1 4.22Å; W264-Y268 VanDerWaalsContact O-CD2 3.24Å; W264-Y268 WeakPolarHBondContact O-CD2 3.39Å; W264-Y268 VanDerWaalsContact O-CG 3.25Å; W264-Y268 PolarHBondContact O-N 3.47Å; W264-P303 HydrophobicContact CB-CB 4.47Å; W264-P303 HydrophobicContact CD2-CB 3.61Å; W264-P303 HydrophobicContact CD2-CG 4.31Å; W264-P303 HydrophobicContact CE3-CB 4Å; W264-P303 HydrophobicContact CG-CB 3.82Å; W264-P303 HydrophobicContact CG-CG 4.32Å; W264-P303 HydrophobicContact CZ2-CB 4.21Å; W264-P303 HydrophobicContact CZ3-CB 4.45Å |
| 265 | A | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -54.7 | -51.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | C228 L247 D261 A262 C263 S267 Y268 L269 | C228-A265 HydrophobicContact CB-CB 4.26Å; L247-A265 HydrophobicContact CD1-CB 3.87Å; L247-A265 HydrophobicContact CD2-CB 3.77Å; L247-A265 HydrophobicContact CG-CB 4.45Å; D261-A265 PolarHBondContact O-N 3.02Å; A262-A265 WeakPolarHBondContact O-CB 3.49Å; A262-A265 PolarHBondContact O-N 2.82Å; C263-A265 VanDerWaalsContact C-N 3.35Å; A265-S267 VanDerWaalsContact C-N 3.29Å; A265-S267 PolarHBondContact O-N 3.04Å; A265-Y268 PolarHBondContact O-N 3Å; A265-Y268 VanDerWaalsContact O-N 3.12Å; A265-L269 VanDerWaalsContact O-CG 3.32Å; A265-L269 WeakPolarHBondContact O-CG 3.48Å; A265-L269 PolarHBondContact O-N 3.31Å |
| 266 | I | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.4 | -36.2 | 177.1 | -61 | -51.4 | 0 | 0 | 0 | 112 | L244 L247 L251 A262 C263 W264 Y268 L269 S270 V280 L289 A307 | L244-I266 HydrophobicContact CD1-CD1 3.62Å; L247-I266 HydrophobicContact CB-CD1 4.2Å; L247-I266 HydrophobicContact CD1-CD1 4.43Å; L251-I266 HydrophobicContact CD1-CD1 4.42Å; L251-I266 HydrophobicContact CD1-CG1 3.57Å; A262-I266 WeakPolarHBondContact O-CG1 3.43Å; A262-I266 PolarHBondContact O-N 3.46Å; C263-I266 PolarHBondContact O-N 3.32Å; W264-I266 PolarHBondContact O-N 2.81Å; I266-Y268 VanDerWaalsContact C-N 3.3Å; I266-Y268 PolarHBondContact O-N 3.33Å; I266-L269 HydrophobicContact CD1-CD1 4.41Å; I266-L269 PolarHBondContact O-N 3.14Å; I266-S270 WeakPolarHBondContact O-CB 3.49Å; I266-S270 PolarHBondContact O-N 2.87Å; I266-S270 PolarHBondContact O-OG 2.91Å; I266-V280 HydrophobicContact CG2-CG1 3.81Å; I266-L289 HydrophobicContact CG2-CD1 3.98Å; I266-L289 HydrophobicContact CG2-CD2 4.29Å; I266-A307 HydrophobicContact CG2-CB 4.11Å |
| 267 | S | 95.6 | Very high | 93.9 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.014 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.9 | -36.6 | 175.9 | 85.8 | 0 | 0 | 0 | 0 | 112.3 | C263 W264 A265 S270 D271 N310 | C263-S267 WeakPolarHBondContact O-CB 3.41Å; C263-S267 PolarHBondContact O-N 3.47Å; W264-S267 WeakPolarHBondContact O-CB 3.49Å; W264-S267 PolarHBondContact O-N 2.87Å; W264-S267 VanDerWaalsContact O-N 3.1Å; W264-S267 PolarHBondContact O-OG 2.98Å; A265-S267 VanDerWaalsContact C-N 3.29Å; A265-S267 PolarHBondContact O-N 3.04Å; S267-S270 WeakPolarHBondContact CA-OG 3.46Å; S267-S270 PolarHBondContact O-OG 3.39Å; S267-D271 WeakPolarHBondContact O-CB 3.24Å; S267-D271 PolarHBondContact O-N 3.07Å; S267-N310 PolarHBondContact O-ND2 3.26Å |
| 268 | Y | 93.9 | Very high | 93.9 | Very high | 32 Ų | 32 | 23.3 Ų | 23.3 | 13% | 0.125 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -72.8 | -41.7 | 175.7 | -53.9 | -35.8 | 0 | 0 | 0 | 111.5 | C228 R229 W264 A265 I266 S270 D271 | C228-Y268 HydrophobicContact CB-CD2 4.42Å; C228-Y268 VanDerWaalsContact O-CB 3.23Å; C228-Y268 WeakPolarHBondContact O-CB 3.39Å; R229-Y268 HydrophobicContact CB-CD2 3.83Å; R229-Y268 HydrophobicContact CB-CE2 3.95Å; R229-Y268 HydrophobicContact CB-CG 4.45Å; R229-Y268 HydrophobicContact CG-CD2 3.91Å; R229-Y268 HydrophobicContact CG-CE1 4.36Å; R229-Y268 HydrophobicContact CG-CE2 3.71Å; R229-Y268 HydrophobicContact CG-CG 4.32Å; R229-Y268 PolarHBondContact NE-OH 3.36Å; W264-Y268 HydrophobicContact CB-CE2 4.07Å; W264-Y268 AromaticContact CE3-CE1 3.67Å; W264-Y268 HydrophobicContact CE3-CE1 3.67Å; W264-Y268 AromaticContact CE3-CZ 3.73Å; W264-Y268 HydrophobicContact CZ3-CE1 4.22Å; W264-Y268 VanDerWaalsContact O-CD2 3.24Å; W264-Y268 WeakPolarHBondContact O-CD2 3.39Å; W264-Y268 VanDerWaalsContact O-CG 3.25Å; W264-Y268 PolarHBondContact O-N 3.47Å; A265-Y268 PolarHBondContact O-N 3Å; A265-Y268 VanDerWaalsContact O-N 3.12Å; I266-Y268 VanDerWaalsContact C-N 3.3Å; I266-Y268 PolarHBondContact O-N 3.33Å; Y268-S270 VanDerWaalsContact C-N 3.33Å; Y268-S270 PolarHBondContact O-N 2.85Å; Y268-D271 PolarHBondContact O-N 2.68Å |
| 269 | L | 94.3 | Very high | 93.8 | Very high | 4 Ų | 4 | 24.9 Ų | 24.9 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.4 | -30.8 | -179.6 | -65.7 | -179.6 | 0 | 0 | 0 | 113.6 | C228 P235 V240 L244 L247 A265 I266 D271 V280 | C228-L269 HydrophobicContact CB-CD2 3.83Å; C228-L269 HydrophobicContact CB-CG 3.95Å; P235-L269 HydrophobicContact CG-CD2 4.38Å; V240-L269 HydrophobicContact CB-CD2 4.24Å; V240-L269 HydrophobicContact CG1-CD1 4.02Å; V240-L269 HydrophobicContact CG1-CD2 3.77Å; V240-L269 HydrophobicContact CG1-CG 4.37Å; V240-L269 HydrophobicContact CG2-CD2 3.56Å; L244-L269 HydrophobicContact CD1-CD1 4.11Å; L247-L269 HydrophobicContact CD1-CD1 3.88Å; A265-L269 VanDerWaalsContact O-CG 3.32Å; A265-L269 WeakPolarHBondContact O-CG 3.48Å; A265-L269 PolarHBondContact O-N 3.31Å; I266-L269 HydrophobicContact CD1-CD1 4.41Å; I266-L269 PolarHBondContact O-N 3.14Å; L269-D271 VanDerWaalsContact C-N 3.33Å; L269-V280 HydrophobicContact CB-CG2 3.92Å |
| 270 | S | 92.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -10.1 | 176.2 | 53.5 | 0 | 0 | 0 | 0 | 113.4 | I266 S267 Y268 G272 I277 N310 | I266-S270 WeakPolarHBondContact O-CB 3.49Å; I266-S270 PolarHBondContact O-N 2.87Å; I266-S270 PolarHBondContact O-OG 2.91Å; S267-S270 WeakPolarHBondContact CA-OG 3.46Å; S267-S270 PolarHBondContact O-OG 3.39Å; Y268-S270 VanDerWaalsContact C-N 3.33Å; Y268-S270 PolarHBondContact O-N 2.85Å; S270-G272 PolarHBondContact O-N 3.02Å; S270-I277 WeakPolarHBondContact O-CG1 3.49Å; S270-N310 WeakPolarHBondContact O-CB 3.42Å |
| 271 | D | 87.9 | Confident | 93.7 | Very high | 18 Ų | 18 | 24.4 Ų | 24.4 | 10% | 0.096 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -89.9 | 79.1 | -179 | -157.8 | 146.8 | 0 | 0 | 0 | 111.5 | K231 S267 Y268 L269 N310 | K231-D271 WeakPolarHBondContact CE-OD1 3.43Å; K231-D271 WeakPolarHBondContact CE-OD2 3.35Å; K231-D271 IonicContact NZ-OD1 3.91Å; K231-D271 PolarHBondContact NZ-OD1 2.76Å; K231-D271 IonicContact NZ-OD2 3.47Å; K231-D271 PolarHBondContact NZ-OD2 3.36Å; S267-D271 WeakPolarHBondContact O-CB 3.24Å; S267-D271 PolarHBondContact O-N 3.07Å; Y268-D271 PolarHBondContact O-N 2.68Å; L269-D271 VanDerWaalsContact C-N 3.33Å; D271-N310 WeakPolarHBondContact CB-ND2 3.09Å |
| 272 | G | 85 | Confident | 93.6 | Very high | 16 Ų | 16 | 31.3 Ų | 31.3 | 17% | 0.165 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -169.6 | -157.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | K37 S270 | K37-G272 PolarHBondContact NZ-O 3.02Å; S270-G272 PolarHBondContact O-N 3.02Å |
| 273 | S | 87.7 | Confident | 93.5 | Very high | 57 Ų | 57 | 33.7 Ų | 33.7 | 40% | 0.399 | 17% | 0.173 | S | C | . | . | trans | -63.8 | 164 | 175.2 | 61.9 | 0 | 0 | 0 | 0 | 111.9 | D275 R276 I277 | S273-D275 PolarHBondContact O-N 2.72Å; S273-R276 PolarHBondContact O-N 3.02Å; S273-I277 PolarHBondContact O-N 3.5Å; S273-I277 VanDerWaalsContact O-N 3.09Å | ||
| 274 | N | 89.1 | Confident | 93.4 | Very high | 62 Ų | 62 | 36.2 Ų | 36.2 | 33% | 0.332 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -53.7 | -39.6 | 175.4 | -72.1 | -5.4 | 0 | 0 | 0 | 112.2 | R276 I277 D278 G314 H318 | N274-R276 VanDerWaalsContact C-N 3.27Å; N274-R276 PolarHBondContact O-N 3.37Å; N274-I277 PolarHBondContact O-N 2.96Å; N274-D278 WeakPolarHBondContact O-CB 3.43Å; N274-D278 PolarHBondContact O-N 3.06Å; N274-G314 VanDerWaalsContact OD1-CA 3.24Å; N274-G314 WeakPolarHBondContact OD1-CA 3.37Å; N274-H318 PolarHBondContact O-CE1 3.47Å |
| 275 | D | 90.5 | Very high | 93.5 | Very high | 118 Ų | 118 | 33.2 Ų | 33.2 | 63% | 0.631 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -60 | -35.7 | 177.2 | -57.8 | -31.2 | 0 | 0 | 0 | 113 | S273 D278 V279 | S273-D275 PolarHBondContact O-N 2.72Å; D275-D278 WeakPolarHBondContact O-CB 3.33Å; D275-V279 WeakPolarHBondContact O-CG2 3.25Å; D275-V279 PolarHBondContact O-N 3.44Å |
| 276 | R | 89.7 | Confident | 93.5 | Very high | 50 Ų | 50 | 33.4 Ų | 33.4 | 19% | 0.189 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -73.5 | -42.2 | 177 | -73.5 | -173.6 | 169.7 | -98.3 | -3.4 | 111.5 | C234 P235 S273 N274 D278 V279 V280 | C234-R276 VanDerWaalsContact CB-CZ 3.43Å; C234-R276 VanDerWaalsContact CB-NH2 3.25Å; P235-R276 PolarHBondContact O-NH1 3.14Å; P235-R276 PolarHBondContact O-NH2 3.18Å; S273-R276 PolarHBondContact O-N 3.02Å; N274-R276 VanDerWaalsContact C-N 3.27Å; N274-R276 PolarHBondContact O-N 3.37Å; R276-D278 VanDerWaalsContact C-N 3.27Å; R276-D278 PolarHBondContact O-N 3.08Å; R276-V279 PolarHBondContact O-N 2.98Å; R276-V280 PolarHBondContact O-N 3.12Å |
| 277 | I | 92.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.1 | -43.9 | 174.1 | -64.4 | 168.7 | 0 | 0 | 0 | 109.7 | S270 S273 N274 V279 V280 V281 I311 H318 | S270-I277 WeakPolarHBondContact O-CG1 3.49Å; S273-I277 PolarHBondContact O-N 3.5Å; S273-I277 VanDerWaalsContact O-N 3.09Å; N274-I277 PolarHBondContact O-N 2.96Å; I277-V279 VanDerWaalsContact C-N 3.31Å; I277-V279 PolarHBondContact O-N 2.92Å; I277-V280 PolarHBondContact O-N 3.34Å; I277-V281 HydrophobicContact CG2-CG2 3.83Å; I277-V281 WeakPolarHBondContact O-CG2 3.32Å; I277-V281 PolarHBondContact O-N 2.71Å; I277-I311 HydrophobicContact CG2-CB 4.35Å; I277-I311 HydrophobicContact CG2-CG1 4.24Å; I277-I311 HydrophobicContact CG2-CG2 4.16Å; I277-H318 HydrophobicContact CG2-CB 4.21Å; I277-H318 WeakPolarHBondContact CG2-ND1 3.2Å |
| 278 | D | 95.1 | Very high | 93.7 | Very high | 42 Ų | 42 | 38.3 Ų | 38.3 | 23% | 0.225 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -54.6 | -44.9 | 177.8 | -105.9 | -45.7 | 0 | 0 | 0 | 112.1 | N274 D275 R276 V280 V281 K282 H318 | N274-D278 WeakPolarHBondContact O-CB 3.43Å; N274-D278 PolarHBondContact O-N 3.06Å; D275-D278 WeakPolarHBondContact O-CB 3.33Å; R276-D278 VanDerWaalsContact C-N 3.27Å; R276-D278 PolarHBondContact O-N 3.08Å; D278-V280 VanDerWaalsContact C-N 3.3Å; D278-V280 PolarHBondContact O-N 3.17Å; D278-V281 PolarHBondContact O-N 3.42Å; D278-K282 VanDerWaalsContact O-CB 3.3Å; D278-K282 WeakPolarHBondContact O-CB 3.48Å; D278-K282 WeakPolarHBondContact O-CD 3.35Å; D278-K282 WeakPolarHBondContact O-CG 3.46Å; D278-K282 PolarHBondContact O-N 2.96Å; D278-K282 WeakPolarHBondContact OD1-CE 3.37Å; D278-K282 IonicContact OD1-NZ 2.72Å; D278-H318 VanDerWaalsContact CG-NE2 3.26Å; D278-H318 IonicContact OD1-NE2 3.75Å; D278-H318 PolarHBondContact OD1-NE2 3.44Å; D278-H318 VanDerWaalsContact OD1-NE2 3.15Å; D278-H318 IonicContact OD2-NE2 3.67Å |
| 279 | V | 95.7 | Very high | 93.9 | Very high | 33 Ų | 33 | 36.8 Ų | 36.8 | 20% | 0.2 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.1 | -39.5 | 178 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | L237 V240 L244 D275 R276 I277 T283 | L237-V279 HydrophobicContact CD1-CG2 4.17Å; V240-V279 HydrophobicContact CG1-CG1 4.43Å; L244-V279 HydrophobicContact CD2-CG1 3.74Å; L244-V279 WeakPolarHBondContact CD2-O 3.29Å; D275-V279 WeakPolarHBondContact O-CG2 3.25Å; D275-V279 PolarHBondContact O-N 3.44Å; R276-V279 PolarHBondContact O-N 2.98Å; I277-V279 VanDerWaalsContact C-N 3.31Å; I277-V279 PolarHBondContact O-N 2.92Å; V279-T283 WeakPolarHBondContact O-CG2 3.2Å |
| 280 | V | 96 | Very high | 94.1 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.6 | -48.4 | 176.7 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | I266 L269 R276 I277 D278 K282 T283 I285 | I266-V280 HydrophobicContact CG2-CG1 3.81Å; L269-V280 HydrophobicContact CB-CG2 3.92Å; R276-V280 PolarHBondContact O-N 3.12Å; I277-V280 PolarHBondContact O-N 3.34Å; D278-V280 VanDerWaalsContact C-N 3.3Å; D278-V280 PolarHBondContact O-N 3.17Å; V280-K282 PolarHBondContact O-N 3.43Å; V280-T283 WeakPolarHBondContact O-CB 3.47Å; V280-T283 WeakPolarHBondContact O-CG2 3.17Å; V280-T283 PolarHBondContact O-N 2.86Å; V280-T283 PolarHBondContact O-OG1 2.91Å; V280-I285 HydrophobicContact CG1-CG2 3.88Å |
| 281 | V | 95.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.4 | -37 | -172.9 | 171.1 | 0 | 0 | 0 | 0 | 112.1 | I277 D278 T283 G284 V286 I311 M321 | I277-V281 HydrophobicContact CG2-CG2 3.83Å; I277-V281 WeakPolarHBondContact O-CG2 3.32Å; I277-V281 PolarHBondContact O-N 2.71Å; D278-V281 PolarHBondContact O-N 3.42Å; V281-T283 PolarHBondContact O-N 3.1Å; V281-G284 PolarHBondContact O-N 3.33Å; V281-V286 HydrophobicContact CB-CG2 4.45Å; V281-V286 HydrophobicContact CG1-CG2 4.13Å; V281-V286 HydrophobicContact CG2-CG2 4.14Å; V281-I311 HydrophobicContact CG2-CD1 4.27Å; V281-I311 HydrophobicContact CG2-CG1 4.11Å; V281-I311 HydrophobicContact CG2-CG2 3.61Å; V281-M321 HydrophobicContact CG1-CB 4.38Å; V281-M321 HydrophobicContact CG1-CE 3.25Å; V281-M321 HydrophobicContact CG1-SD 3.35Å; V281-M321 WeakPolarHBondContact CG1-SD 3.13Å |
| 282 | K | 95.8 | Very high | 94.9 | Very high | 156 Ų | 156 | 40.7 Ų | 40.7 | 68% | 0.678 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -13 | 177.5 | -76.7 | 170.6 | -175 | 167.8 | 0 | 114.4 | D278 V280 G284 | D278-K282 VanDerWaalsContact O-CB 3.3Å; D278-K282 WeakPolarHBondContact O-CB 3.48Å; D278-K282 WeakPolarHBondContact O-CD 3.35Å; D278-K282 WeakPolarHBondContact O-CG 3.46Å; D278-K282 PolarHBondContact O-N 2.96Å; D278-K282 WeakPolarHBondContact OD1-CE 3.37Å; D278-K282 IonicContact OD1-NZ 2.72Å; V280-K282 PolarHBondContact O-N 3.43Å; K282-G284 VanDerWaalsContact C-N 3.28Å |
| 283 | T | 96.3 | Very high | 95.4 | Very high | 50 Ų | 50 | 39.9 Ų | 39.9 | 31% | 0.307 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -12.5 | 176.3 | 70.1 | 0 | 0 | 0 | 0 | 113.8 | L244 I248 V279 V280 V281 I285 | L244-T283 HydrophobicContact CD2-CG2 3.49Å; L244-T283 VanDerWaalsContact CD2-CG2 3.49Å; L244-T283 HydrophobicContact CG-CG2 3.82Å; I248-T283 HydrophobicContact CD1-CG2 3.55Å; V279-T283 WeakPolarHBondContact O-CG2 3.2Å; V280-T283 WeakPolarHBondContact O-CB 3.47Å; V280-T283 WeakPolarHBondContact O-CG2 3.17Å; V280-T283 PolarHBondContact O-N 2.86Å; V280-T283 PolarHBondContact O-OG1 2.91Å; V281-T283 PolarHBondContact O-N 3.1Å; T283-I285 VanDerWaalsContact C-N 3.34Å; T283-I285 WeakPolarHBondContact OG1-CB 3.38Å; T283-I285 WeakPolarHBondContact OG1-CG2 3.29Å; T283-I285 PolarHBondContact OG1-N 3.49Å |
| 284 | G | 96.8 | Very high | 95.7 | Very high | 53 Ų | 53 | 41 Ų | 41 | 55% | 0.546 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 14 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | V281 K282 V286 P287 | V281-G284 PolarHBondContact O-N 3.33Å; K282-G284 VanDerWaalsContact C-N 3.28Å; G284-V286 VanDerWaalsContact C-N 3.27Å; G284-V286 PolarHBondContact O-N 3.42Å; G284-P287 VanDerWaalsContact O-CD 3.29Å; G284-P287 WeakPolarHBondContact O-CD 3.23Å |
| 285 | I | 97.6 | Very high | 96 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | trans | -72.3 | -15.5 | -176.3 | -163.3 | 60.3 | 0 | 0 | 0 | 114.5 | I248 L251 V280 T283 R288 L289 | I248-I285 HydrophobicContact CB-CD1 4.44Å; I248-I285 HydrophobicContact CG1-CD1 4.24Å; I248-I285 HydrophobicContact CG2-CD1 4.12Å; L251-I285 HydrophobicContact CB-CD1 4.08Å; L251-I285 HydrophobicContact CD1-CD1 3.6Å; L251-I285 HydrophobicContact CD1-CG1 3.75Å; L251-I285 HydrophobicContact CG-CD1 4.49Å; V280-I285 HydrophobicContact CG1-CG2 3.88Å; T283-I285 VanDerWaalsContact C-N 3.34Å; T283-I285 WeakPolarHBondContact OG1-CB 3.38Å; T283-I285 WeakPolarHBondContact OG1-CG2 3.29Å; T283-I285 PolarHBondContact OG1-N 3.49Å; I285-R288 HydrophobicContact CD1-CB 3.99Å; I285-R288 HydrophobicContact CD1-CG 4.19Å; I285-R288 WeakPolarHBondContact O-CB 3.12Å; I285-R288 PolarHBondContact O-N 2.94Å; I285-R288 VanDerWaalsContact O-N 3.09Å; I285-L289 HydrophobicContact CG1-CG 4.23Å; I285-L289 HydrophobicContact CG2-CD1 4.13Å; I285-L289 PolarHBondContact O-N 3.06Å | ||
| 286 | V | 98.5 | Very high | 96.1 | Very high | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.024 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.3 | -47.9 | -171 | -173 | 0 | 0 | 0 | 0 | 113.5 | V281 G284 R288 L289 V290 I308 I311 T322 A325 | V281-V286 HydrophobicContact CB-CG2 4.45Å; V281-V286 HydrophobicContact CG1-CG2 4.13Å; V281-V286 HydrophobicContact CG2-CG2 4.14Å; G284-V286 VanDerWaalsContact C-N 3.27Å; G284-V286 PolarHBondContact O-N 3.42Å; V286-R288 VanDerWaalsContact C-N 3.26Å; V286-R288 PolarHBondContact O-N 3.16Å; V286-L289 PolarHBondContact O-N 3.1Å; V286-L289 VanDerWaalsContact O-N 3.15Å; V286-V290 WeakPolarHBondContact O-CG2 3.14Å; V286-V290 PolarHBondContact O-N 3.11Å; V286-I308 HydrophobicContact CG1-CD1 3.86Å; V286-I311 HydrophobicContact CG2-CD1 4.38Å; V286-T322 HydrophobicContact CG1-CG2 4.13Å; V286-A325 HydrophobicContact CB-CB 4.3Å; V286-A325 HydrophobicContact CG1-CB 3.71Å |
| 287 | P | 98.6 | Very high | 96.3 | Very high | 75 Ų | 75 | 46.2 Ų | 46.2 | 49% | 0.487 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.3 | -36.8 | 176.8 | -23.9 | 35.9 | 0 | 0 | 0 | 113.1 | G284 V290 E291 A325 | G284-P287 VanDerWaalsContact O-CD 3.29Å; G284-P287 WeakPolarHBondContact O-CD 3.23Å; P287-V290 PolarHBondContact O-N 3.44Å; P287-E291 PolarHBondContact O-N 3.28Å; P287-A325 HydrophobicContact CB-CB 4.4Å; P287-A325 HydrophobicContact CG-CB 4.02Å |
| 288 | R | 98.6 | Very high | 96.4 | Very high | 30 Ų | 30 | 48.2 Ų | 48.2 | 11% | 0.113 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.8 | -39.3 | 177.5 | -178.3 | 55.7 | 176.7 | 177.5 | 1.3 | 111.7 | L251 I285 V286 E291 L292 | L251-R288 HydrophobicContact CB-CG 4.47Å; L251-R288 VanDerWaalsContact O-CZ 3.26Å; L251-R288 PolarHBondContact O-NE 3.32Å; L251-R288 PolarHBondContact O-NH2 3.38Å; I285-R288 HydrophobicContact CD1-CB 3.99Å; I285-R288 HydrophobicContact CD1-CG 4.19Å; I285-R288 WeakPolarHBondContact O-CB 3.12Å; I285-R288 PolarHBondContact O-N 2.94Å; I285-R288 VanDerWaalsContact O-N 3.09Å; V286-R288 VanDerWaalsContact C-N 3.26Å; V286-R288 PolarHBondContact O-N 3.16Å; R288-E291 IonicContact CZ-OE1 2.68Å; R288-E291 IonicContact CZ-OE2 2.73Å; R288-E291 IonicContact NH1-OE1 3.2Å; R288-E291 PolarHBondContact NH1-OE1 3.23Å; R288-E291 IonicContact NH1-OE2 3.87Å; R288-E291 PolarHBondContact NH1-OE2 3.12Å; R288-E291 WeakPolarHBondContact O-CB 3.48Å; R288-E291 PolarHBondContact O-N 3.47Å; R288-L292 HydrophobicContact CG-CD1 4.17Å; R288-L292 VanDerWaalsContact O-CG 3.27Å; R288-L292 WeakPolarHBondContact O-CG 3.43Å; R288-L292 PolarHBondContact O-N 3.18Å |
| 289 | L | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 173.8 | -67 | 172.1 | 0 | 0 | 0 | 111.6 | I266 I285 V286 E291 L292 M293 A307 I308 I311 | I266-L289 HydrophobicContact CG2-CD1 3.98Å; I266-L289 HydrophobicContact CG2-CD2 4.29Å; I285-L289 HydrophobicContact CG1-CG 4.23Å; I285-L289 HydrophobicContact CG2-CD1 4.13Å; I285-L289 PolarHBondContact O-N 3.06Å; V286-L289 PolarHBondContact O-N 3.1Å; V286-L289 VanDerWaalsContact O-N 3.15Å; L289-E291 VanDerWaalsContact C-N 3.33Å; L289-E291 PolarHBondContact O-N 3.48Å; L289-L292 PolarHBondContact O-N 3.45Å; L289-M293 WeakPolarHBondContact O-CG 3.39Å; L289-M293 PolarHBondContact O-N 3.21Å; L289-A307 HydrophobicContact CD1-CB 4.02Å; L289-A307 HydrophobicContact CD2-CB 4.27Å; L289-I308 HydrophobicContact CB-CD1 3.81Å; L289-I308 HydrophobicContact CB-CG1 3.82Å; L289-I308 HydrophobicContact CD1-CD1 4.24Å; L289-I311 HydrophobicContact CD1-CD1 3.88Å |
| 290 | V | 98.6 | Very high | 96.3 | Very high | 9 Ų | 9 | 49.1 Ų | 49.1 | 6% | 0.055 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.1 | -41.1 | 175.4 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | V286 P287 M293 I308 A325 V327 V330 | V286-V290 WeakPolarHBondContact O-CG2 3.14Å; V286-V290 PolarHBondContact O-N 3.11Å; P287-V290 PolarHBondContact O-N 3.44Å; V290-M293 WeakPolarHBondContact O-CB 3.38Å; V290-M293 PolarHBondContact O-N 2.95Å; V290-I308 HydrophobicContact CG2-CD1 3.97Å; V290-A325 HydrophobicContact CG2-CB 4.16Å; V290-V327 HydrophobicContact CG2-CB 4.07Å; V290-V327 HydrophobicContact CG2-CG2 4.44Å; V290-V330 HydrophobicContact CG1-CG2 3.83Å |
| 291 | E | 98.3 | Very high | 96.4 | Very high | 95 Ų | 95 | 49.2 Ų | 49.2 | 44% | 0.444 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61 | -46.9 | 173.5 | -170.6 | -158.5 | 145.6 | 0 | 0 | 111.6 | P287 R288 L289 M293 N294 | P287-E291 PolarHBondContact O-N 3.28Å; R288-E291 IonicContact CZ-OE1 2.68Å; R288-E291 IonicContact CZ-OE2 2.73Å; R288-E291 IonicContact NH1-OE1 3.2Å; R288-E291 PolarHBondContact NH1-OE1 3.23Å; R288-E291 IonicContact NH1-OE2 3.87Å; R288-E291 PolarHBondContact NH1-OE2 3.12Å; R288-E291 WeakPolarHBondContact O-CB 3.48Å; R288-E291 PolarHBondContact O-N 3.47Å; L289-E291 VanDerWaalsContact C-N 3.33Å; L289-E291 PolarHBondContact O-N 3.48Å; E291-M293 VanDerWaalsContact C-N 3.3Å; E291-M293 PolarHBondContact O-N 3.26Å; E291-N294 WeakPolarHBondContact O-CB 3.38Å; E291-N294 PolarHBondContact O-N 2.58Å |
| 292 | L | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.4 | -30.1 | -178.3 | -69.1 | 171.9 | 0 | 0 | 0 | 112.7 | L251 L259 R288 L289 N294 R295 I300 A304 | L251-L292 HydrophobicContact CD2-CD1 3.76Å; L259-L292 HydrophobicContact CD1-CD2 4Å; L259-L292 HydrophobicContact CD2-CD1 4.36Å; L259-L292 HydrophobicContact CD2-CD2 4.17Å; R288-L292 HydrophobicContact CG-CD1 4.17Å; R288-L292 VanDerWaalsContact O-CG 3.27Å; R288-L292 WeakPolarHBondContact O-CG 3.43Å; R288-L292 PolarHBondContact O-N 3.18Å; L289-L292 PolarHBondContact O-N 3.45Å; L292-N294 PolarHBondContact O-N 3.15Å; L292-R295 HydrophobicContact CD2-CG 4.38Å; L292-R295 WeakPolarHBondContact O-CB 3.45Å; L292-R295 WeakPolarHBondContact O-CG 3.48Å; L292-R295 PolarHBondContact O-N 3.03Å; L292-I300 HydrophobicContact CB-CG2 4.16Å; L292-I300 HydrophobicContact CD2-CG2 4Å; L292-A304 HydrophobicContact CB-CB 3.91Å |
| 293 | M | 95.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.1 | -21.3 | 170.9 | -75.9 | 176.9 | 56.5 | 0 | 0 | 113.8 | L289 V290 E291 L301 A304 L305 I308 V327 V330 L331 L334 | L289-M293 WeakPolarHBondContact O-CG 3.39Å; L289-M293 PolarHBondContact O-N 3.21Å; V290-M293 WeakPolarHBondContact O-CB 3.38Å; V290-M293 PolarHBondContact O-N 2.95Å; E291-M293 VanDerWaalsContact C-N 3.3Å; E291-M293 PolarHBondContact O-N 3.26Å; M293-L301 WeakPolarHBondContact O-CD1 3.4Å; M293-L301 WeakPolarHBondContact O-CG 3.38Å; M293-A304 HydrophobicContact CG-CB 3.74Å; M293-L305 HydrophobicContact CE-CB 4.07Å; M293-L305 HydrophobicContact CE-CD1 3.36Å; M293-L305 HydrophobicContact CE-CG 4.26Å; M293-L305 HydrophobicContact CG-CB 4.08Å; M293-L305 HydrophobicContact SD-CB 4.33Å; M293-L305 HydrophobicContact SD-CD1 4.35Å; M293-I308 HydrophobicContact CE-CG2 4.33Å; M293-I308 HydrophobicContact SD-CB 3.52Å; M293-I308 VanDerWaalsContact SD-CB 3.52Å; M293-I308 HydrophobicContact SD-CG1 3.41Å; M293-I308 WeakPolarHBondContact SD-CG1 3.5Å; M293-I308 HydrophobicContact SD-CG2 3.74Å; M293-V327 HydrophobicContact CE-CG2 4.44Å; M293-V330 HydrophobicContact CB-CG1 4.18Å; M293-V330 HydrophobicContact CE-CG1 4.49Å; M293-L331 HydrophobicContact CE-CD2 4.47Å; M293-L334 HydrophobicContact CE-CD1 3.5Å |
| 294 | N | 93.8 | Very high | 96.4 | Very high | 80 Ų | 80 | 41.4 Ų | 41.4 | 43% | 0.428 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 0.6 | 179.5 | -162.3 | 21.4 | 0 | 0 | 0 | 113.2 | E291 L292 V330 K333 | E291-N294 WeakPolarHBondContact O-CB 3.38Å; E291-N294 PolarHBondContact O-N 2.58Å; L292-N294 PolarHBondContact O-N 3.15Å; N294-V330 HydrophobicContact CB-CG1 4.26Å; N294-K333 PolarHBondContact OD1-NZ 2.72Å |
| 295 | R | 94.9 | Very high | 96.4 | Very high | 98 Ų | 98 | 39 Ų | 39 | 37% | 0.37 | 19% | 0.187 | S | C | . | . | trans | -66.6 | 153.6 | 175.6 | -67.8 | -62.4 | -136.7 | -159.7 | 6.4 | 111.7 | L292 I300 L301 | L292-R295 HydrophobicContact CD2-CG 4.38Å; L292-R295 WeakPolarHBondContact O-CB 3.45Å; L292-R295 WeakPolarHBondContact O-CG 3.48Å; L292-R295 PolarHBondContact O-N 3.03Å; R295-I300 HydrophobicContact CB-CG2 4.48Å; R295-I300 HydrophobicContact CG-CG2 4.31Å; R295-L301 WeakPolarHBondContact O-CD1 3.29Å | ||
| 296 | K | 93.6 | Very high | 96.3 | Very high | 193 Ų | 193 | 41 Ų | 41 | 84% | 0.839 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -78.5 | -27.7 | 177.3 | -66.1 | -177.2 | 179 | -179.7 | 0 | 111.5 | L298 | K296-L298 PolarHBondContact O-N 3.14Š|
| 297 | E | 94.8 | Very high | 96.2 | Very high | 48 Ų | 48 | 40.8 Ų | 40.8 | 22% | 0.224 | 19% | 0.193 | C | C | . | . | trans | -72.7 | 107.3 | -178.4 | -64.9 | 87.5 | 167.9 | 0 | 0 | 111.2 | K256 F299 I300 L301 | K256-E297 HydrophobicContact CD-CG 4.2Å; K256-E297 WeakPolarHBondContact CE-OE1 3.36Å; K256-E297 IonicContact NZ-OE1 3.93Å; K256-E297 PolarHBondContact NZ-OE1 3.18Å; E297-F299 HydrophobicContact CB-CD1 4.14Å; E297-F299 HydrophobicContact CB-CE1 3.68Å; E297-F299 HydrophobicContact CB-CZ 3.9Å; E297-F299 HydrophobicContact CG-CE1 3.96Å; E297-F299 HydrophobicContact CG-CZ 4.04Å; E297-F299 PolarHBondContact O-N 3.01Å; E297-I300 HydrophobicContact CB-CB 4.45Å; E297-I300 HydrophobicContact CB-CD1 4.1Å; E297-I300 HydrophobicContact CB-CG1 4.27Å; E297-I300 PolarHBondContact O-N 3.5Å; E297-L301 PolarHBondContact O-N 3.25Å | ||
| 298 | L | 93.7 | Very high | 96.2 | Very high | 42 Ų | 42 | 37.2 Ų | 37.2 | 22% | 0.22 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.7 | -31.8 | -175.6 | -66.4 | 167.4 | 0 | 0 | 0 | 114.1 | K296 I300 T302 K339 V342 | K296-L298 PolarHBondContact O-N 3.14Å; L298-I300 PolarHBondContact O-N 3.32Å; L298-T302 WeakPolarHBondContact O-CB 3.05Å; L298-T302 PolarHBondContact O-N 3.29Å; L298-T302 PolarHBondContact O-OG1 3.21Å; L298-K339 HydrophobicContact CD1-CD 3.37Å; L298-K339 HydrophobicContact CD2-CD 4.18Å; L298-K339 HydrophobicContact CG-CD 4.42Å; L298-V342 HydrophobicContact CD2-CG2 3.94Å |
| 299 | F | 92.4 | Very high | 95.9 | Very high | 93 Ų | 93 | 35.8 Ų | 35.8 | 41% | 0.408 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -71.2 | -15 | 178.6 | 62.2 | -91.7 | 0 | 0 | 0 | 112.4 | K256 S260 E297 P303 | K256-F299 HydrophobicContact CB-CE2 3.87Å; K256-F299 HydrophobicContact CB-CZ 3.96Å; K256-F299 HydrophobicContact CD-CZ 4.29Å; S260-F299 PolarHBondContact OG-O 2.98Å; S260-F299 VanDerWaalsContact OG-O 3.13Å; E297-F299 HydrophobicContact CB-CD1 4.14Å; E297-F299 HydrophobicContact CB-CE1 3.68Å; E297-F299 HydrophobicContact CB-CZ 3.9Å; E297-F299 HydrophobicContact CG-CE1 3.96Å; E297-F299 HydrophobicContact CG-CZ 4.04Å; E297-F299 PolarHBondContact O-N 3.01Å; F299-P303 WeakPolarHBondContact O-CD 3.3Å; F299-P303 VanDerWaalsContact O-CG 3.22Å; F299-P303 WeakPolarHBondContact O-CG 3.41Å |
| 300 | I | 96.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -95.9 | -48.2 | 168.9 | -60 | 175.1 | 0 | 0 | 0 | 110.5 | K256 L259 L292 R295 E297 L298 T302 P303 A304 | K256-I300 HydrophobicContact CB-CD1 3.98Å; K256-I300 HydrophobicContact CG-CD1 4.23Å; L259-I300 HydrophobicContact CB-CD1 4.14Å; L259-I300 HydrophobicContact CB-CG1 4.36Å; L259-I300 HydrophobicContact CB-CG2 4.47Å; L259-I300 HydrophobicContact CD1-CD1 4.24Å; L292-I300 HydrophobicContact CB-CG2 4.16Å; L292-I300 HydrophobicContact CD2-CG2 4Å; R295-I300 HydrophobicContact CB-CG2 4.48Å; R295-I300 HydrophobicContact CG-CG2 4.31Å; E297-I300 HydrophobicContact CB-CB 4.45Å; E297-I300 HydrophobicContact CB-CD1 4.1Å; E297-I300 HydrophobicContact CB-CG1 4.27Å; E297-I300 PolarHBondContact O-N 3.5Å; L298-I300 PolarHBondContact O-N 3.32Å; I300-T302 VanDerWaalsContact C-N 3.34Å; I300-T302 PolarHBondContact O-N 3.39Å; I300-P303 VanDerWaalsContact O-CD 3.26Å; I300-P303 WeakPolarHBondContact O-CD 3.42Å; I300-P303 WeakPolarHBondContact O-CG 3.38Å; I300-A304 WeakPolarHBondContact O-CB 3.4Å; I300-A304 PolarHBondContact O-N 3.14Å |
| 301 | L | 97.2 | Very high | 95.5 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.8 | -46.7 | -178.9 | 177.8 | 162.3 | 0 | 0 | 0 | 111.7 | M293 R295 E297 A304 L305 L334 V342 | M293-L301 WeakPolarHBondContact O-CD1 3.4Å; M293-L301 WeakPolarHBondContact O-CG 3.38Å; R295-L301 WeakPolarHBondContact O-CD1 3.29Å; E297-L301 PolarHBondContact O-N 3.25Å; L301-A304 PolarHBondContact O-N 2.99Å; L301-L305 HydrophobicContact CD2-CB 4.39Å; L301-L305 HydrophobicContact CD2-CD2 4.29Å; L301-L305 WeakPolarHBondContact O-CB 3.3Å; L301-L305 PolarHBondContact O-N 3.41Å; L301-L334 HydrophobicContact CD1-CD2 3.83Å; L301-V342 HydrophobicContact CD2-CG1 3.86Å; L301-V342 HydrophobicContact CD2-CG2 4.07Å |
| 302 | T | 92.9 | Very high | 95.3 | Very high | 42 Ų | 42 | 31.1 Ų | 31.1 | 26% | 0.258 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -60.5 | -53.2 | -173.6 | -56.4 | 0 | 0 | 0 | 0 | 112.6 | L298 I300 A304 L305 R306 | L298-T302 WeakPolarHBondContact O-CB 3.05Å; L298-T302 PolarHBondContact O-N 3.29Å; L298-T302 PolarHBondContact O-OG1 3.21Å; I300-T302 VanDerWaalsContact C-N 3.34Å; I300-T302 PolarHBondContact O-N 3.39Å; T302-A304 VanDerWaalsContact C-N 3.34Å; T302-A304 PolarHBondContact O-N 3.31Å; T302-L305 PolarHBondContact O-N 3.44Å; T302-R306 WeakPolarHBondContact O-CB 3.36Å; T302-R306 PolarHBondContact O-N 3.37Å |
| 303 | P | 96 | Very high | 94.9 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.9 | -31.3 | 176.7 | 26 | -35 | 0 | 0 | 0 | 113.5 | C263 W264 F299 I300 R306 A307 | C263-P303 HydrophobicContact CB-CB 3.7Å; C263-P303 HydrophobicContact CB-CG 3.66Å; W264-P303 HydrophobicContact CB-CB 4.47Å; W264-P303 HydrophobicContact CD2-CB 3.61Å; W264-P303 HydrophobicContact CD2-CG 4.31Å; W264-P303 HydrophobicContact CE3-CB 4Å; W264-P303 HydrophobicContact CG-CB 3.82Å; W264-P303 HydrophobicContact CG-CG 4.32Å; W264-P303 HydrophobicContact CZ2-CB 4.21Å; W264-P303 HydrophobicContact CZ3-CB 4.45Å; F299-P303 WeakPolarHBondContact O-CD 3.3Å; F299-P303 VanDerWaalsContact O-CG 3.22Å; F299-P303 WeakPolarHBondContact O-CG 3.41Å; I300-P303 VanDerWaalsContact O-CD 3.26Å; I300-P303 WeakPolarHBondContact O-CD 3.42Å; I300-P303 WeakPolarHBondContact O-CG 3.38Å; P303-R306 WeakPolarHBondContact O-CB 3.31Å; P303-R306 PolarHBondContact O-N 2.9Å; P303-A307 WeakPolarHBondContact O-CB 3.38Å; P303-A307 PolarHBondContact O-N 3.13Å |
| 304 | A | 98.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.7 | -47.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L292 M293 I300 L301 T302 R306 A307 I308 | L292-A304 HydrophobicContact CB-CB 3.91Å; M293-A304 HydrophobicContact CG-CB 3.74Å; I300-A304 WeakPolarHBondContact O-CB 3.4Å; I300-A304 PolarHBondContact O-N 3.14Å; L301-A304 PolarHBondContact O-N 2.99Å; T302-A304 VanDerWaalsContact C-N 3.34Å; T302-A304 PolarHBondContact O-N 3.31Å; A304-R306 VanDerWaalsContact C-N 3.29Å; A304-R306 PolarHBondContact O-N 2.97Å; A304-A307 PolarHBondContact O-N 2.92Å; A304-I308 PolarHBondContact O-N 2.75Å |
| 305 | L | 97.6 | Very high | 94.5 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.5 | -38.8 | 175.1 | 171.3 | 60.1 | 0 | 0 | 0 | 111 | M293 L301 T302 I308 G309 L334 V342 E345 A346 A349 | M293-L305 HydrophobicContact CE-CB 4.07Å; M293-L305 HydrophobicContact CE-CD1 3.36Å; M293-L305 HydrophobicContact CE-CG 4.26Å; M293-L305 HydrophobicContact CG-CB 4.08Å; M293-L305 HydrophobicContact SD-CB 4.33Å; M293-L305 HydrophobicContact SD-CD1 4.35Å; L301-L305 HydrophobicContact CD2-CB 4.39Å; L301-L305 HydrophobicContact CD2-CD2 4.29Å; L301-L305 WeakPolarHBondContact O-CB 3.3Å; L301-L305 PolarHBondContact O-N 3.41Å; T302-L305 PolarHBondContact O-N 3.44Å; L305-I308 PolarHBondContact O-N 3.35Å; L305-G309 PolarHBondContact O-N 3.05Å; L305-L334 HydrophobicContact CD1-CD1 4.24Å; L305-L334 HydrophobicContact CD2-CD1 4.3Å; L305-V342 HydrophobicContact CD2-CG1 4.25Å; L305-E345 HydrophobicContact CD2-CB 3.58Å; L305-E345 HydrophobicContact CG-CB 3.97Å; L305-A346 HydrophobicContact CD2-CB 4.44Å; L305-A349 HydrophobicContact CD1-CB 4.44Å |
| 306 | R | 94.9 | Very high | 94.4 | Very high | 43 Ų | 43 | 29.5 Ų | 29.5 | 16% | 0.162 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60 | -49.9 | 174 | 179.1 | 60.5 | 59 | 74.7 | -1.9 | 111.8 | K40 T302 P303 A304 I308 G309 N310 E345 | K40-R306 VanDerWaalsContact CE-NH1 3.26Å; K40-R306 VanDerWaalsContact CE-NH2 3.35Å; T302-R306 WeakPolarHBondContact O-CB 3.36Å; T302-R306 PolarHBondContact O-N 3.37Å; P303-R306 WeakPolarHBondContact O-CB 3.31Å; P303-R306 PolarHBondContact O-N 2.9Å; A304-R306 VanDerWaalsContact C-N 3.29Å; A304-R306 PolarHBondContact O-N 2.97Å; R306-I308 VanDerWaalsContact C-N 3.31Å; R306-I308 PolarHBondContact O-N 3.09Å; R306-G309 PolarHBondContact O-N 3.42Å; R306-N310 PolarHBondContact O-N 3.31Å; R306-N310 PolarHBondContact O-ND2 2.96Å; R306-N310 PolarHBondContact O-OD1 3.31Å; R306-E345 IonicContact CZ-OE1 3.95Å; R306-E345 IonicContact CZ-OE2 2.72Å; R306-E345 IonicContact NE-OE1 3.74Å; R306-E345 IonicContact NE-OE2 2.69Å; R306-E345 PolarHBondContact NE-OE2 3.22Å; R306-E345 VanDerWaalsContact NH2-CD 3.26Å; R306-E345 IonicContact NH2-OE1 3.57Å; R306-E345 PolarHBondContact NH2-OE1 2.84Å; R306-E345 IonicContact NH2-OE2 3.02Å; R306-E345 PolarHBondContact NH2-OE2 3.22Å |
| 307 | A | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.4 | -44.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.3 | I266 L289 P303 A304 N310 I311 | I266-A307 HydrophobicContact CG2-CB 4.11Å; L289-A307 HydrophobicContact CD1-CB 4.02Å; L289-A307 HydrophobicContact CD2-CB 4.27Å; P303-A307 WeakPolarHBondContact O-CB 3.38Å; P303-A307 PolarHBondContact O-N 3.13Å; A304-A307 PolarHBondContact O-N 2.92Å; A307-N310 WeakPolarHBondContact O-CB 3.32Å; A307-N310 PolarHBondContact O-N 3.41Å; A307-I311 VanDerWaalsContact O-CG1 3.28Å; A307-I311 WeakPolarHBondContact O-CG1 3.47Å; A307-I311 PolarHBondContact O-N 3Å |
| 308 | I | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64 | -45.1 | 176.3 | -74.1 | -66.6 | 0 | 0 | 0 | 111.9 | V286 L289 V290 M293 A304 L305 R306 N310 I311 V312 T322 V327 | V286-I308 HydrophobicContact CG1-CD1 3.86Å; L289-I308 HydrophobicContact CB-CD1 3.81Å; L289-I308 HydrophobicContact CB-CG1 3.82Å; L289-I308 HydrophobicContact CD1-CD1 4.24Å; V290-I308 HydrophobicContact CG2-CD1 3.97Å; M293-I308 HydrophobicContact CE-CG2 4.33Å; M293-I308 HydrophobicContact SD-CB 3.52Å; M293-I308 VanDerWaalsContact SD-CB 3.52Å; M293-I308 HydrophobicContact SD-CG1 3.41Å; M293-I308 WeakPolarHBondContact SD-CG1 3.5Å; M293-I308 HydrophobicContact SD-CG2 3.74Å; A304-I308 PolarHBondContact O-N 2.75Å; L305-I308 PolarHBondContact O-N 3.35Å; R306-I308 VanDerWaalsContact C-N 3.31Å; R306-I308 PolarHBondContact O-N 3.09Å; I308-N310 VanDerWaalsContact C-N 3.26Å; I308-N310 PolarHBondContact O-N 2.98Å; I308-I311 HydrophobicContact CD1-CD1 4.37Å; I308-I311 PolarHBondContact O-N 2.94Å; I308-I311 VanDerWaalsContact O-N 3.11Å; I308-V312 WeakPolarHBondContact O-CG2 3.5Å; I308-V312 PolarHBondContact O-N 3.13Å; I308-T322 HydrophobicContact CD1-CG2 3.81Å; I308-T322 HydrophobicContact CG2-CG2 3.85Å; I308-V327 HydrophobicContact CG2-CG2 3.67Å |
| 309 | G | 93.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.4 | -37.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | L305 R306 V312 S313 W348 | L305-G309 PolarHBondContact O-N 3.05Å; R306-G309 PolarHBondContact O-N 3.42Å; G309-V312 WeakPolarHBondContact O-CG2 3.24Å; G309-S313 PolarHBondContact O-N 2.94Å; G309-W348 VanDerWaalsContact O-CH2 3.31Å; G309-W348 WeakPolarHBondContact O-CH2 3.48Å |
| 310 | N | 92.3 | Very high | 94.9 | Very high | 3 Ų | 3 | 19.7 Ų | 19.7 | 2% | 0.016 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -67 | -43.5 | 173.5 | -67.1 | -13.8 | 0 | 0 | 0 | 111.6 | S267 S270 D271 R306 A307 I308 S313 W348 | S267-N310 PolarHBondContact O-ND2 3.26Å; S270-N310 WeakPolarHBondContact O-CB 3.42Å; D271-N310 WeakPolarHBondContact CB-ND2 3.09Å; R306-N310 PolarHBondContact O-N 3.31Å; R306-N310 PolarHBondContact O-ND2 2.96Å; R306-N310 PolarHBondContact O-OD1 3.31Å; A307-N310 WeakPolarHBondContact O-CB 3.32Å; A307-N310 PolarHBondContact O-N 3.41Å; I308-N310 VanDerWaalsContact C-N 3.26Å; I308-N310 PolarHBondContact O-N 2.98Å; N310-S313 WeakPolarHBondContact O-CB 3.33Å; N310-S313 PolarHBondContact O-N 3.24Å; N310-S313 PolarHBondContact O-OG 3.4Å; N310-W348 WeakPolarHBondContact OD1-CH2 3.32Å |
| 311 | I | 96 | Very high | 95 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.5 | -46.3 | 178.6 | -68.2 | 163 | 0 | 0 | 0 | 111.5 | I277 V281 V286 L289 A307 I308 S313 G314 H318 T322 | I277-I311 HydrophobicContact CG2-CB 4.35Å; I277-I311 HydrophobicContact CG2-CG1 4.24Å; I277-I311 HydrophobicContact CG2-CG2 4.16Å; V281-I311 HydrophobicContact CG2-CD1 4.27Å; V281-I311 HydrophobicContact CG2-CG1 4.11Å; V281-I311 HydrophobicContact CG2-CG2 3.61Å; V286-I311 HydrophobicContact CG2-CD1 4.38Å; L289-I311 HydrophobicContact CD1-CD1 3.88Å; A307-I311 VanDerWaalsContact O-CG1 3.28Å; A307-I311 WeakPolarHBondContact O-CG1 3.47Å; A307-I311 PolarHBondContact O-N 3Å; I308-I311 HydrophobicContact CD1-CD1 4.37Å; I308-I311 PolarHBondContact O-N 2.94Å; I308-I311 VanDerWaalsContact O-N 3.11Å; I311-S313 PolarHBondContact O-N 3.17Å; I311-G314 PolarHBondContact O-N 3.35Å; I311-H318 HydrophobicContact CG2-CB 4.18Å; I311-H318 WeakPolarHBondContact O-CB 3.24Å; I311-T322 WeakPolarHBondContact CG2-OG1 3.43Å |
| 312 | V | 94.8 | Very high | 95 | Very high | 3 Ų | 3 | 22.9 Ų | 22.9 | 2% | 0.018 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -7.4 | 179 | -58.3 | 0 | 0 | 0 | 0 | 113.6 | I308 G309 T319 T322 A349 N352 I353 | I308-V312 WeakPolarHBondContact O-CG2 3.5Å; I308-V312 PolarHBondContact O-N 3.13Å; G309-V312 WeakPolarHBondContact O-CG2 3.24Å; V312-T319 PolarHBondContact O-OG1 3.33Å; V312-T322 HydrophobicContact CG1-CG2 3.56Å; V312-A349 HydrophobicContact CG2-CB 4.31Å; V312-N352 HydrophobicContact CG2-CB 3.91Å; V312-N352 WeakPolarHBondContact O-CB 3.44Å; V312-I353 HydrophobicContact CB-CG1 3.99Å; V312-I353 HydrophobicContact CG1-CD1 4.33Å; V312-I353 HydrophobicContact CG1-CG1 3.98Å; V312-I353 HydrophobicContact CG2-CG1 4.23Å |
| 313 | S | 89.9 | Confident | 95.3 | Very high | 7 Ų | 7 | 21.4 Ų | 21.4 | 5% | 0.049 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 4.4 | 168.7 | 77.7 | 0 | 0 | 0 | 0 | 113.2 | K37 G309 N310 I311 | K37-S313 WeakPolarHBondContact CE-O 3.49Å; K37-S313 WeakPolarHBondContact CE-OG 3.23Å; K37-S313 PolarHBondContact NZ-O 3.47Å; G309-S313 PolarHBondContact O-N 2.94Å; N310-S313 WeakPolarHBondContact O-CB 3.33Å; N310-S313 PolarHBondContact O-N 3.24Å; N310-S313 PolarHBondContact O-OG 3.4Å; I311-S313 PolarHBondContact O-N 3.17Å |
| 314 | G | 90.3 | Very high | 95.4 | Very high | 19 Ų | 19 | 26.9 Ų | 26.9 | 20% | 0.196 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -83.4 | -142.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N274 I311 | N274-G314 VanDerWaalsContact OD1-CA 3.24Å; N274-G314 WeakPolarHBondContact OD1-CA 3.37Å; I311-G314 PolarHBondContact O-N 3.35Å |
| 315 | S | 90.7 | Very high | 95.4 | Very high | 37 Ų | 37 | 28 Ų | 28 | 26% | 0.259 | 15% | 0.154 | S | C | . | . | trans | -77.8 | 164.8 | 174.8 | 67.6 | 0 | 0 | 0 | 0 | 111.8 | L317 H318 T319 | S315-L317 PolarHBondContact O-N 3.46Å; S315-L317 VanDerWaalsContact O-N 3.12Å; S315-L317 PolarHBondContact OG-N 3Å; S315-H318 PolarHBondContact N-ND1 3.35Å; S315-H318 WeakPolarHBondContact O-CB 3.49Å; S315-H318 PolarHBondContact O-N 3.46Å; S315-H318 PolarHBondContact OG-N 2.67Å; S315-H318 PolarHBondContact OG-ND1 3.04Å; S315-T319 PolarHBondContact O-N 3.36Å; S315-T319 PolarHBondContact O-OG1 3.42Å | ||
| 316 | D | 92.5 | Very high | 95.4 | Very high | 81 Ų | 81 | 28.7 Ų | 28.7 | 43% | 0.433 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -55.1 | -31.2 | 172.3 | -60.6 | -16.9 | 0 | 0 | 0 | 112.4 | T319 Q320 P357 Q360 | D316-T319 PolarHBondContact O-N 2.95Å; D316-Q320 WeakPolarHBondContact O-CB 3.47Å; D316-Q320 PolarHBondContact O-N 3.47Å; D316-P357 HydrophobicContact CB-CG 4.47Å; D316-P357 VanDerWaalsContact CG-CD 3.44Å; D316-P357 WeakPolarHBondContact OD2-CD 3.43Å; D316-Q360 PolarHBondContact O-NE2 3.24Å |
| 317 | L | 95.4 | Very high | 95.6 | Very high | 113 Ų | 113 | 26.7 Ų | 26.7 | 59% | 0.592 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -67.1 | -44.8 | 175.2 | -178.7 | 63.4 | 0 | 0 | 0 | 111.5 | S315 T319 Q320 M321 | S315-L317 PolarHBondContact O-N 3.46Å; S315-L317 VanDerWaalsContact O-N 3.12Å; S315-L317 PolarHBondContact OG-N 3Å; L317-T319 VanDerWaalsContact C-N 3.3Å; L317-T319 PolarHBondContact O-N 2.87Å; L317-Q320 PolarHBondContact O-N 3.31Å; L317-M321 HydrophobicContact CG-SD 4.45Å; L317-M321 WeakPolarHBondContact O-CG 3.32Å; L317-M321 PolarHBondContact O-N 2.9Å |
| 318 | H | 95.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.8 | -42.3 | 175.2 | -59.7 | 153.4 | 0 | 0 | 0 | 111.4 | N274 I277 D278 I311 S315 M321 T322 | N274-H318 PolarHBondContact O-CE1 3.47Å; I277-H318 HydrophobicContact CG2-CB 4.21Å; I277-H318 WeakPolarHBondContact CG2-ND1 3.2Å; D278-H318 VanDerWaalsContact CG-NE2 3.26Å; D278-H318 IonicContact OD1-NE2 3.75Å; D278-H318 PolarHBondContact OD1-NE2 3.44Å; D278-H318 VanDerWaalsContact OD1-NE2 3.15Å; D278-H318 IonicContact OD2-NE2 3.67Å; I311-H318 HydrophobicContact CG2-CB 4.18Å; I311-H318 WeakPolarHBondContact O-CB 3.24Å; S315-H318 PolarHBondContact N-ND1 3.35Å; S315-H318 WeakPolarHBondContact O-CB 3.49Å; S315-H318 PolarHBondContact O-N 3.46Å; S315-H318 PolarHBondContact OG-N 2.67Å; S315-H318 PolarHBondContact OG-ND1 3.04Å; H318-M321 PolarHBondContact O-N 3.47Å; H318-T322 PolarHBondContact O-N 2.65Å; H318-T322 VanDerWaalsContact O-N 3.16Å; H318-T322 PolarHBondContact O-OG1 3.41Å |
| 319 | T | 95.8 | Very high | 95.6 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.018 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.1 | -45.9 | 174.6 | -59 | 0 | 0 | 0 | 0 | 111 | V312 S315 D316 L317 M321 T322 I323 I353 Q360 | V312-T319 PolarHBondContact O-OG1 3.33Å; S315-T319 PolarHBondContact O-N 3.36Å; S315-T319 PolarHBondContact O-OG1 3.42Å; D316-T319 PolarHBondContact O-N 2.95Å; L317-T319 VanDerWaalsContact C-N 3.3Å; L317-T319 PolarHBondContact O-N 2.87Å; T319-M321 PolarHBondContact O-N 3.26Å; T319-T322 WeakPolarHBondContact O-CB 3.25Å; T319-T322 PolarHBondContact O-N 3.38Å; T319-T322 VanDerWaalsContact O-N 3.12Å; T319-I323 HydrophobicContact CG2-CD1 4.14Å; T319-I323 WeakPolarHBondContact O-CG1 3.43Å; T319-I323 PolarHBondContact O-N 3.22Å; T319-I353 HydrophobicContact CG2-CB 4.26Å; T319-I353 HydrophobicContact CG2-CG1 4.08Å; T319-I353 HydrophobicContact CG2-CG2 4.05Å; T319-Q360 VanDerWaalsContact CG2-OE1 3.24Å |
| 320 | Q | 97.9 | Very high | 95.9 | Very high | 54 Ų | 54 | 33.7 Ų | 33.7 | 25% | 0.252 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.9 | -45.5 | 178.3 | -168.6 | 60.4 | 52.7 | 0 | 0 | 112 | D316 L317 T322 I323 D324 | D316-Q320 WeakPolarHBondContact O-CB 3.47Å; D316-Q320 PolarHBondContact O-N 3.47Å; L317-Q320 PolarHBondContact O-N 3.31Å; Q320-T322 PolarHBondContact O-N 2.91Å; Q320-I323 WeakPolarHBondContact O-CB 3.41Å; Q320-I323 PolarHBondContact O-N 2.79Å; Q320-I323 VanDerWaalsContact O-N 3.08Å; Q320-D324 PolarHBondContact NE2-OD1 3.39Å; Q320-D324 PolarHBondContact O-N 3.29Å |
| 321 | M | 98.1 | Very high | 96.2 | Very high | 71 Ų | 71 | 33.5 Ų | 33.5 | 35% | 0.35 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -58.9 | -31.4 | 176.4 | -68.9 | 178.9 | 74.6 | 0 | 0 | 112.4 | V281 L317 H318 T319 A325 | V281-M321 HydrophobicContact CG1-CB 4.38Å; V281-M321 HydrophobicContact CG1-CE 3.25Å; V281-M321 HydrophobicContact CG1-SD 3.35Å; V281-M321 WeakPolarHBondContact CG1-SD 3.13Å; L317-M321 HydrophobicContact CG-SD 4.45Å; L317-M321 WeakPolarHBondContact O-CG 3.32Å; L317-M321 PolarHBondContact O-N 2.9Å; H318-M321 PolarHBondContact O-N 3.47Å; T319-M321 PolarHBondContact O-N 3.26Å; M321-A325 WeakPolarHBondContact O-CB 3.39Å; M321-A325 PolarHBondContact O-N 3.01Å; M321-A325 VanDerWaalsContact O-N 3.11Å |
| 322 | T | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -77.7 | -36.1 | 177.3 | -50.2 | 0 | 0 | 0 | 0 | 112.3 | V286 I308 I311 V312 H318 T319 Q320 A325 V327 | V286-T322 HydrophobicContact CG1-CG2 4.13Å; I308-T322 HydrophobicContact CD1-CG2 3.81Å; I308-T322 HydrophobicContact CG2-CG2 3.85Å; I311-T322 WeakPolarHBondContact CG2-OG1 3.43Å; V312-T322 HydrophobicContact CG1-CG2 3.56Å; H318-T322 PolarHBondContact O-N 2.65Å; H318-T322 VanDerWaalsContact O-N 3.16Å; H318-T322 PolarHBondContact O-OG1 3.41Å; T319-T322 WeakPolarHBondContact O-CB 3.25Å; T319-T322 PolarHBondContact O-N 3.38Å; T319-T322 VanDerWaalsContact O-N 3.12Å; Q320-T322 PolarHBondContact O-N 2.91Å; T322-A325 PolarHBondContact O-N 3.42Å; T322-V327 HydrophobicContact CG2-CB 3.83Å; T322-V327 HydrophobicContact CG2-CG1 3.89Å; T322-V327 HydrophobicContact CG2-CG2 4.1Å; T322-V327 WeakPolarHBondContact O-CB 3.32Å; T322-V327 VanDerWaalsContact O-CG1 3.24Å; T322-V327 WeakPolarHBondContact O-CG1 3.42Å; T322-V327 PolarHBondContact O-N 2.93Å |
| 323 | I | 98.5 | Very high | 96.4 | Very high | 12 Ų | 12 | 39.7 Ų | 39.7 | 6% | 0.062 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.6 | -49.5 | 169.7 | -68.1 | 168.4 | 0 | 0 | 0 | 110.2 | T319 Q320 A325 G326 L328 I353 Q360 Q363 | T319-I323 HydrophobicContact CG2-CD1 4.14Å; T319-I323 WeakPolarHBondContact O-CG1 3.43Å; T319-I323 PolarHBondContact O-N 3.22Å; Q320-I323 WeakPolarHBondContact O-CB 3.41Å; Q320-I323 PolarHBondContact O-N 2.79Å; Q320-I323 VanDerWaalsContact O-N 3.08Å; I323-A325 PolarHBondContact O-N 3.48Å; I323-G326 WeakPolarHBondContact O-CA 3.02Å; I323-G326 PolarHBondContact O-N 3.08Å; I323-L328 HydrophobicContact CG1-CD1 4.26Å; I323-L328 HydrophobicContact CG1-CG 4.36Å; I323-L328 HydrophobicContact CG2-CD1 3.91Å; I323-L328 HydrophobicContact CG2-CG 4.41Å; I323-I353 HydrophobicContact CD1-CG2 3.99Å; I323-I353 HydrophobicContact CG1-CG2 4.39Å; I323-Q360 HydrophobicContact CD1-CB 3.94Å; I323-Q360 HydrophobicContact CD1-CG 3.82Å; I323-Q363 HydrophobicContact CG2-CB 4.38Å; I323-Q363 HydrophobicContact CG2-CG 4.27Å |
| 324 | D | 98.3 | Very high | 96.8 | Very high | 116 Ų | 116 | 39.4 Ų | 39.4 | 62% | 0.62 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -62.7 | -30.3 | -179.3 | -62 | -14.8 | 0 | 0 | 0 | 111.8 | Q320 G326 | Q320-D324 PolarHBondContact NE2-OD1 3.39Å; Q320-D324 PolarHBondContact O-N 3.29Å; D324-G326 PolarHBondContact O-N 3.06Å |
| 325 | A | 98.4 | Very high | 97.2 | Very high | 23 Ų | 23 | 38.5 Ų | 38.5 | 19% | 0.19 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | V286 P287 V290 M321 T322 I323 | V286-A325 HydrophobicContact CB-CB 4.3Å; V286-A325 HydrophobicContact CG1-CB 3.71Å; P287-A325 HydrophobicContact CB-CB 4.4Å; P287-A325 HydrophobicContact CG-CB 4.02Å; V290-A325 HydrophobicContact CG2-CB 4.16Å; M321-A325 WeakPolarHBondContact O-CB 3.39Å; M321-A325 PolarHBondContact O-N 3.01Å; M321-A325 VanDerWaalsContact O-N 3.11Å; T322-A325 PolarHBondContact O-N 3.42Å; I323-A325 PolarHBondContact O-N 3.48Å |
| 326 | G | 98.2 | Very high | 97.5 | Very high | 17 Ų | 17 | 42.3 Ų | 42.3 | 18% | 0.175 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.8 | 19.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | I323 D324 L328 N329 | I323-G326 WeakPolarHBondContact O-CA 3.02Å; I323-G326 PolarHBondContact O-N 3.08Å; D324-G326 PolarHBondContact O-N 3.06Å; G326-L328 PolarHBondContact O-N 2.93Å; G326-L328 VanDerWaalsContact O-N 3.14Å; G326-N329 WeakPolarHBondContact O-CB 3.32Å; G326-N329 PolarHBondContact O-N 3.22Å |
| 327 | V | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -55.3 | -33.9 | -179.5 | 73.7 | 0 | 0 | 0 | 0 | 112.8 | V290 M293 I308 T322 N329 V330 L331 I353 | V290-V327 HydrophobicContact CG2-CB 4.07Å; V290-V327 HydrophobicContact CG2-CG2 4.44Å; M293-V327 HydrophobicContact CE-CG2 4.44Å; I308-V327 HydrophobicContact CG2-CG2 3.67Å; T322-V327 HydrophobicContact CG2-CB 3.83Å; T322-V327 HydrophobicContact CG2-CG1 3.89Å; T322-V327 HydrophobicContact CG2-CG2 4.1Å; T322-V327 WeakPolarHBondContact O-CB 3.32Å; T322-V327 VanDerWaalsContact O-CG1 3.24Å; T322-V327 WeakPolarHBondContact O-CG1 3.42Å; T322-V327 PolarHBondContact O-N 2.93Å; V327-N329 PolarHBondContact O-N 3.39Å; V327-V330 PolarHBondContact O-N 3.21Å; V327-L331 HydrophobicContact CG2-CD1 4.23Å; V327-L331 HydrophobicContact CG2-CG 4.17Å; V327-L331 PolarHBondContact O-N 3.14Å; V327-L331 VanDerWaalsContact O-N 3.12Å; V327-I353 HydrophobicContact CG1-CD1 4.18Å |
| 328 | L | 98.4 | Very high | 97.8 | Very high | 5 Ų | 5 | 40.3 Ų | 40.3 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -68.3 | -19 | -177.6 | -59.2 | -173.3 | 0 | 0 | 0 | 113.1 | I323 G326 V330 L331 P332 I353 Q363 L364 C367 L369 | I323-L328 HydrophobicContact CG1-CD1 4.26Å; I323-L328 HydrophobicContact CG1-CG 4.36Å; I323-L328 HydrophobicContact CG2-CD1 3.91Å; I323-L328 HydrophobicContact CG2-CG 4.41Å; G326-L328 PolarHBondContact O-N 2.93Å; G326-L328 VanDerWaalsContact O-N 3.14Å; L328-V330 VanDerWaalsContact C-N 3.31Å; L328-L331 HydrophobicContact CD2-CD1 4.15Å; L328-P332 WeakPolarHBondContact O-CD 3.27Å; L328-I353 HydrophobicContact CD2-CD1 4.02Å; L328-Q363 HydrophobicContact CD1-CB 3.59Å; L328-L364 HydrophobicContact CD1-CD2 4.28Å; L328-L364 HydrophobicContact CD2-CD2 3.53Å; L328-C367 HydrophobicContact CB-CB 3.9Å; L328-C367 HydrophobicContact CD1-CB 4.34Å; L328-L369 HydrophobicContact CB-CD2 4.45Å |
| 329 | N | 97.4 | Very high | 97.7 | Very high | 129 Ų | 129 | 45 Ų | 45 | 69% | 0.69 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -77.8 | -19.5 | 173.3 | -62.6 | -34.7 | 0 | 0 | 0 | 112.3 | G326 V327 | G326-N329 WeakPolarHBondContact O-CB 3.32Å; G326-N329 PolarHBondContact O-N 3.22Å; V327-N329 PolarHBondContact O-N 3.39Å |
| 330 | V | 98.2 | Very high | 97.5 | Very high | 13 Ų | 13 | 48 Ų | 48 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -39.9 | -175.7 | -175.3 | 0 | 0 | 0 | 0 | 111.4 | V290 M293 N294 V327 L328 P332 K333 L334 | V290-V330 HydrophobicContact CG1-CG2 3.83Å; M293-V330 HydrophobicContact CB-CG1 4.18Å; M293-V330 HydrophobicContact CE-CG1 4.49Å; N294-V330 HydrophobicContact CB-CG1 4.26Å; V327-V330 PolarHBondContact O-N 3.21Å; L328-V330 VanDerWaalsContact C-N 3.31Å; V330-P332 VanDerWaalsContact C-CD 3.43Å; V330-K333 PolarHBondContact O-N 3.48Å; V330-L334 HydrophobicContact CG1-CD1 3.88Å; V330-L334 HydrophobicContact CG1-CG 4.08Å; V330-L334 PolarHBondContact O-N 3.17Å |
| 331 | L | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -54.6 | -40.1 | -176 | -74 | 176 | 0 | 0 | 0 | 115.4 | M293 V327 L328 K333 L334 L335 A346 A349 L350 I353 L369 | M293-L331 HydrophobicContact CE-CD2 4.47Å; V327-L331 HydrophobicContact CG2-CD1 4.23Å; V327-L331 HydrophobicContact CG2-CG 4.17Å; V327-L331 PolarHBondContact O-N 3.14Å; V327-L331 VanDerWaalsContact O-N 3.12Å; L328-L331 HydrophobicContact CD2-CD1 4.15Å; L331-K333 VanDerWaalsContact C-N 3.26Å; L331-K333 PolarHBondContact O-N 3.2Å; L331-L334 PolarHBondContact O-N 3.43Å; L331-L335 WeakPolarHBondContact O-CG 3.49Å; L331-L335 PolarHBondContact O-N 2.92Å; L331-A346 HydrophobicContact CD2-CB 4.18Å; L331-A349 HydrophobicContact CD2-CB 4.47Å; L331-L350 HydrophobicContact CD1-CD1 4.25Å; L331-I353 HydrophobicContact CD1-CD1 3.73Å; L331-L369 HydrophobicContact CB-CD1 3.88Å |
| 332 | P | 98.1 | Very high | 97.1 | Very high | 22 Ų | 22 | 46.9 Ų | 46.9 | 14% | 0.143 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.9 | -40.7 | 179.1 | -26 | 33.2 | 0 | 0 | 0 | 113.1 | L328 V330 R336 L369 P372 | L328-P332 WeakPolarHBondContact O-CD 3.27Å; V330-P332 VanDerWaalsContact C-CD 3.43Å; P332-R336 PolarHBondContact O-N 3.39Å; P332-L369 HydrophobicContact CG-CD1 3.74Å; P332-L369 HydrophobicContact CG-CD2 3.94Å; P332-L369 HydrophobicContact CG-CG 4.49Å; P332-P372 HydrophobicContact CB-CG 3.98Å |
| 333 | K | 97.6 | Very high | 97 | Very high | 111 Ų | 111 | 48.5 Ų | 48.5 | 48% | 0.483 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -69.4 | -36.8 | 177 | 176 | -176.5 | 164.8 | -167.2 | 0 | 111.7 | N294 V330 L331 R336 H337 | N294-K333 PolarHBondContact OD1-NZ 2.72Å; V330-K333 PolarHBondContact O-N 3.48Å; L331-K333 VanDerWaalsContact C-N 3.26Å; L331-K333 PolarHBondContact O-N 3.2Å; K333-R336 CarbonylContact O-C 3.53Å; K333-R336 PolarHBondContact O-N 3.14Å; K333-H337 PolarHBondContact O-N 3.33Å |
| 334 | L | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -74 | -34.1 | -179.2 | -60.1 | -174.7 | 0 | 0 | 0 | 112.6 | M293 L301 L305 V330 L331 R336 H337 V342 A346 | M293-L334 HydrophobicContact CE-CD1 3.5Å; L301-L334 HydrophobicContact CD1-CD2 3.83Å; L305-L334 HydrophobicContact CD1-CD1 4.24Å; L305-L334 HydrophobicContact CD2-CD1 4.3Å; V330-L334 HydrophobicContact CG1-CD1 3.88Å; V330-L334 HydrophobicContact CG1-CG 4.08Å; V330-L334 PolarHBondContact O-N 3.17Å; L331-L334 PolarHBondContact O-N 3.43Å; L334-R336 PolarHBondContact O-N 3.08Å; L334-H337 WeakPolarHBondContact O-CB 3.31Å; L334-H337 PolarHBondContact O-N 3.19Å; L334-H337 VanDerWaalsContact O-N 3.11Å; L334-V342 HydrophobicContact CB-CG1 4.34Å; L334-V342 HydrophobicContact CD2-CG1 4.17Å; L334-A346 HydrophobicContact CB-CB 3.68Å |
| 335 | L | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.1 | -29 | 172.1 | -69.6 | 165.8 | 0 | 0 | 0 | 112 | L331 Q343 A346 A347 L350 L369 P372 V376 | L331-L335 WeakPolarHBondContact O-CG 3.49Å; L331-L335 PolarHBondContact O-N 2.92Å; L335-Q343 WeakPolarHBondContact O-CG 3.29Å; L335-Q343 PolarHBondContact O-NE2 3.26Å; L335-A346 HydrophobicContact CD2-CB 4.06Å; L335-A346 HydrophobicContact CG-CB 4.28Å; L335-A347 HydrophobicContact CD2-CB 3.97Å; L335-L350 HydrophobicContact CD1-CD2 3.93Å; L335-L369 HydrophobicContact CD1-CD1 3.86Å; L335-P372 HydrophobicContact CB-CB 3.97Å; L335-P372 HydrophobicContact CD1-CB 3.82Å; L335-V376 HydrophobicContact CB-CG2 4.07Å; L335-V376 HydrophobicContact CD2-CG2 4.28Å; L335-V376 VanDerWaalsContact O-CG2 3.26Å; L335-V376 WeakPolarHBondContact O-CG2 3.38Å |
| 336 | R | 97.6 | Very high | 96.6 | Very high | 117 Ų | 117 | 45.7 Ų | 45.7 | 44% | 0.442 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 13.3 | 174.6 | -62.7 | -178.3 | 179.9 | 122.7 | -4.6 | 113.9 | P332 K333 L334 E375 | P332-R336 PolarHBondContact O-N 3.39Å; K333-R336 CarbonylContact O-C 3.53Å; K333-R336 PolarHBondContact O-N 3.14Å; L334-R336 PolarHBondContact O-N 3.08Å; R336-E375 WeakPolarHBondContact CD-OE2 3.41Å; R336-E375 WeakPolarHBondContact CG-OE2 3.32Å; R336-E375 IonicContact CZ-OE1 2.79Å; R336-E375 IonicContact CZ-OE2 3.47Å; R336-E375 VanDerWaalsContact NE-CD 3.34Å; R336-E375 IonicContact NE-OE1 2.71Å; R336-E375 PolarHBondContact NE-OE1 3.31Å; R336-E375 IonicContact NE-OE2 3.38Å; R336-E375 PolarHBondContact NE-OE2 3.03Å; R336-E375 IonicContact NH2-OE1 3.72Å; R336-E375 PolarHBondContact NH2-OE1 3.42Å; R336-E375 IonicContact NH2-OE2 3.34Å |
| 337 | H | 97.7 | Very high | 96.5 | Very high | 33 Ų | 33 | 44.9 Ų | 44.9 | 15% | 0.153 | 23% | 0.23 | C | C | . | . | trans | -68.4 | 140.2 | -176 | -168.7 | -84.3 | 0 | 0 | 0 | 111 | K333 L334 K339 V342 Q343 | K333-H337 PolarHBondContact O-N 3.33Å; L334-H337 WeakPolarHBondContact O-CB 3.31Å; L334-H337 PolarHBondContact O-N 3.19Å; L334-H337 VanDerWaalsContact O-N 3.11Å; H337-K339 WeakPolarHBondContact ND1-CB 3.37Å; H337-K339 PolarHBondContact ND1-N 3.19Å; H337-K339 PolarHBondContact O-N 3.08Å; H337-V342 HydrophobicContact CB-CB 4.11Å; H337-V342 HydrophobicContact CB-CG1 3.77Å; H337-Q343 HydrophobicContact CB-CG 4.31Å; H337-Q343 WeakPolarHBondContact O-CG 3.5Å; H337-Q343 PolarHBondContact O-NE2 3.22Å | ||
| 338 | P | 95.5 | Very high | 96.3 | Very high | 119 Ų | 119 | 46 Ų | 46 | 77% | 0.773 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -65.7 | -3.9 | -179 | 26.5 | -37.7 | 0 | 0 | 0 | 115.1 | ||
| 339 | K | 94 | Very high | 96.2 | Very high | 100 Ų | 100 | 45.8 Ų | 45.8 | 44% | 0.435 | 23% | 0.233 | S | C | . | . | trans | -106.8 | 116.5 | 178.5 | -71.3 | -159.6 | 173.2 | -168.4 | 0 | 109.9 | L298 H337 T341 V342 Q343 | L298-K339 HydrophobicContact CD1-CD 3.37Å; L298-K339 HydrophobicContact CD2-CD 4.18Å; L298-K339 HydrophobicContact CG-CD 4.42Å; H337-K339 WeakPolarHBondContact ND1-CB 3.37Å; H337-K339 PolarHBondContact ND1-N 3.19Å; H337-K339 PolarHBondContact O-N 3.08Å; K339-T341 PolarHBondContact O-N 3.47Å; K339-T341 VanDerWaalsContact O-N 3.16Å; K339-V342 HydrophobicContact CB-CB 4.4Å; K339-V342 HydrophobicContact CB-CG2 4.08Å; K339-V342 WeakPolarHBondContact O-CB 3.4Å; K339-V342 PolarHBondContact O-N 3.37Å; K339-Q343 PolarHBondContact O-N 2.98Å; K339-Q343 VanDerWaalsContact O-N 3.14Å | ||
| 340 | P | 92.6 | Very high | 96.3 | Very high | 64 Ų | 64 | 39.7 Ų | 39.7 | 42% | 0.416 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -55.6 | -35.3 | 179.8 | -29.3 | 35.7 | 0 | 0 | 0 | 113.6 | V342 Q343 K344 T384 | P340-V342 VanDerWaalsContact C-N 3.29Å; P340-V342 PolarHBondContact O-N 3.32Å; P340-Q343 PolarHBondContact O-N 2.91Å; P340-K344 WeakPolarHBondContact O-CB 3.48Å; P340-K344 PolarHBondContact O-N 3.33Å; P340-T384 PolarHBondContact O-OG1 3.43Å |
| 341 | T | 89.9 | Confident | 96.2 | Very high | 99 Ų | 99 | 39.1 Ų | 39.1 | 61% | 0.607 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -63.5 | -33.3 | 177.4 | 53.7 | 0 | 0 | 0 | 0 | 113.3 | K339 E345 | K339-T341 PolarHBondContact O-N 3.47Å; K339-T341 VanDerWaalsContact O-N 3.16Å; T341-E345 WeakPolarHBondContact O-CG 3.45Å; T341-E345 PolarHBondContact O-N 3.02Å |
| 342 | V | 96.1 | Very high | 96 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -75.1 | -44.9 | 175.4 | 176.1 | 0 | 0 | 0 | 0 | 110.2 | L298 L301 L305 L334 H337 K339 P340 K344 E345 A346 | L298-V342 HydrophobicContact CD2-CG2 3.94Å; L301-V342 HydrophobicContact CD2-CG1 3.86Å; L301-V342 HydrophobicContact CD2-CG2 4.07Å; L305-V342 HydrophobicContact CD2-CG1 4.25Å; L334-V342 HydrophobicContact CB-CG1 4.34Å; L334-V342 HydrophobicContact CD2-CG1 4.17Å; H337-V342 HydrophobicContact CB-CB 4.11Å; H337-V342 HydrophobicContact CB-CG1 3.77Å; K339-V342 HydrophobicContact CB-CB 4.4Å; K339-V342 HydrophobicContact CB-CG2 4.08Å; K339-V342 WeakPolarHBondContact O-CB 3.4Å; K339-V342 PolarHBondContact O-N 3.37Å; P340-V342 VanDerWaalsContact C-N 3.29Å; P340-V342 PolarHBondContact O-N 3.32Å; V342-K344 VanDerWaalsContact C-N 3.3Å; V342-K344 PolarHBondContact O-N 3.07Å; V342-E345 PolarHBondContact O-N 3.48Å; V342-A346 WeakPolarHBondContact O-CB 3.23Å; V342-A346 PolarHBondContact O-N 3.28Å |
| 343 | Q | 97.2 | Very high | 95.8 | Very high | 35 Ų | 35 | 38.3 Ų | 38.3 | 16% | 0.164 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.5 | -45.1 | 176.2 | -64 | -177.9 | -60.7 | 0 | 0 | 111.1 | L335 H337 K339 P340 E345 A346 A347 T384 | L335-Q343 WeakPolarHBondContact O-CG 3.29Å; L335-Q343 PolarHBondContact O-NE2 3.26Å; H337-Q343 HydrophobicContact CB-CG 4.31Å; H337-Q343 WeakPolarHBondContact O-CG 3.5Å; H337-Q343 PolarHBondContact O-NE2 3.22Å; K339-Q343 PolarHBondContact O-N 2.98Å; K339-Q343 VanDerWaalsContact O-N 3.14Å; P340-Q343 PolarHBondContact O-N 2.91Å; Q343-E345 PolarHBondContact O-N 3.07Å; Q343-A346 PolarHBondContact O-N 3.38Å; Q343-A347 WeakPolarHBondContact O-CB 3.46Å; Q343-A347 PolarHBondContact O-N 3.4Å; Q343-T384 HydrophobicContact CB-CG2 3.79Å |
| 344 | K | 95 | Very high | 95.8 | Very high | 70 Ų | 70 | 33 Ų | 33 | 30% | 0.304 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -56.7 | -50.9 | 177 | -172.1 | -162.5 | 169.1 | -167.3 | 0 | 112.1 | P340 V342 A346 A347 W348 K383 T384 E387 | P340-K344 WeakPolarHBondContact O-CB 3.48Å; P340-K344 PolarHBondContact O-N 3.33Å; V342-K344 VanDerWaalsContact C-N 3.3Å; V342-K344 PolarHBondContact O-N 3.07Å; K344-A346 VanDerWaalsContact C-N 3.32Å; K344-A346 PolarHBondContact O-N 3.27Å; K344-A347 PolarHBondContact O-N 3.29Å; K344-W348 WeakPolarHBondContact O-CB 3.35Å; K344-W348 PolarHBondContact O-N 2.78Å; K344-K383 HydrophobicContact CD-CB 4.29Å; K344-T384 WeakPolarHBondContact CB-OG1 3.49Å; K344-T384 PolarHBondContact N-OG1 3.3Å; K344-E387 HydrophobicContact CG-CG 4.13Å |
| 345 | E | 92.6 | Very high | 95.4 | Very high | 22 Ų | 22 | 34.4 Ų | 34.4 | 10% | 0.103 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.7 | -33.7 | -179 | -66.6 | -77.3 | 154.8 | 0 | 0 | 111.7 | K40 L305 R306 T341 V342 Q343 W348 A349 | K40-E345 IonicContact NZ-OE1 2.58Å; K40-E345 IonicContact NZ-OE2 3.56Å; L305-E345 HydrophobicContact CD2-CB 3.58Å; L305-E345 HydrophobicContact CG-CB 3.97Å; R306-E345 IonicContact CZ-OE1 3.95Å; R306-E345 IonicContact CZ-OE2 2.72Å; R306-E345 IonicContact NE-OE1 3.74Å; R306-E345 IonicContact NE-OE2 2.69Å; R306-E345 PolarHBondContact NE-OE2 3.22Å; R306-E345 VanDerWaalsContact NH2-CD 3.26Å; R306-E345 IonicContact NH2-OE1 3.57Å; R306-E345 PolarHBondContact NH2-OE1 2.84Å; R306-E345 IonicContact NH2-OE2 3.02Å; R306-E345 PolarHBondContact NH2-OE2 3.22Å; T341-E345 WeakPolarHBondContact O-CG 3.45Å; T341-E345 PolarHBondContact O-N 3.02Å; V342-E345 PolarHBondContact O-N 3.48Å; Q343-E345 PolarHBondContact O-N 3.07Å; E345-W348 PolarHBondContact O-N 3.25Å; E345-A349 WeakPolarHBondContact O-CB 3.49Å; E345-A349 PolarHBondContact O-N 2.74Å |
| 346 | A | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.3 | -43.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L305 L331 L334 L335 V342 Q343 K344 W348 A349 L350 | L305-A346 HydrophobicContact CD2-CB 4.44Å; L331-A346 HydrophobicContact CD2-CB 4.18Å; L334-A346 HydrophobicContact CB-CB 3.68Å; L335-A346 HydrophobicContact CD2-CB 4.06Å; L335-A346 HydrophobicContact CG-CB 4.28Å; V342-A346 WeakPolarHBondContact O-CB 3.23Å; V342-A346 PolarHBondContact O-N 3.28Å; Q343-A346 PolarHBondContact O-N 3.38Å; K344-A346 VanDerWaalsContact C-N 3.32Å; K344-A346 PolarHBondContact O-N 3.27Å; A346-W348 VanDerWaalsContact C-N 3.32Å; A346-A349 PolarHBondContact O-N 3.29Å; A346-L350 WeakPolarHBondContact O-CB 3.37Å; A346-L350 PolarHBondContact O-N 2.68Å |
| 347 | A | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.9 | -39.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L335 Q343 K344 L350 S351 T384 E387 | L335-A347 HydrophobicContact CD2-CB 3.97Å; Q343-A347 WeakPolarHBondContact O-CB 3.46Å; Q343-A347 PolarHBondContact O-N 3.4Å; K344-A347 PolarHBondContact O-N 3.29Å; A347-L350 PolarHBondContact O-N 2.75Å; A347-S351 WeakPolarHBondContact O-CB 3.28Å; A347-S351 PolarHBondContact O-N 2.95Å; A347-T384 HydrophobicContact CB-CG2 4.26Å; A347-E387 HydrophobicContact CB-CB 3.86Å |
| 348 | W | 95.4 | Very high | 94.7 | Very high | 23 Ų | 23 | 32.1 Ų | 32.1 | 9% | 0.087 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.4 | -49.1 | 173.7 | 173.2 | 64.8 | 0 | 0 | 0 | 111.8 | G309 N310 K344 E345 A346 L350 S351 N352 E387 | G309-W348 VanDerWaalsContact O-CH2 3.31Å; G309-W348 WeakPolarHBondContact O-CH2 3.48Å; N310-W348 WeakPolarHBondContact OD1-CH2 3.32Å; K344-W348 WeakPolarHBondContact O-CB 3.35Å; K344-W348 PolarHBondContact O-N 2.78Å; E345-W348 PolarHBondContact O-N 3.25Å; A346-W348 VanDerWaalsContact C-N 3.32Å; W348-L350 VanDerWaalsContact C-N 3.35Å; W348-L350 PolarHBondContact O-N 3.14Å; W348-S351 WeakPolarHBondContact O-CB 3.37Å; W348-S351 PolarHBondContact O-N 3.22Å; W348-S351 VanDerWaalsContact O-N 3.16Å; W348-S351 PolarHBondContact O-OG 2.98Å; W348-N352 WeakPolarHBondContact CZ2-ND2 3.24Å; W348-N352 PolarHBondContact O-N 2.84Å; W348-E387 HydrophobicContact CB-CB 4.43Å; W348-E387 HydrophobicContact CB-CG 4.14Å |
| 349 | A | 96.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.5 | -44.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L305 V312 L331 E345 A346 S351 N352 I353 | L305-A349 HydrophobicContact CD1-CB 4.44Å; V312-A349 HydrophobicContact CG2-CB 4.31Å; L331-A349 HydrophobicContact CD2-CB 4.47Å; E345-A349 WeakPolarHBondContact O-CB 3.49Å; E345-A349 PolarHBondContact O-N 2.74Å; A346-A349 PolarHBondContact O-N 3.29Å; A349-S351 VanDerWaalsContact C-N 3.3Å; A349-S351 PolarHBondContact O-N 3.23Å; A349-N352 PolarHBondContact O-N 3.21Å; A349-I353 WeakPolarHBondContact O-CG1 3.33Å; A349-I353 PolarHBondContact O-N 3.14Å; A349-I353 VanDerWaalsContact O-N 3.07Å |
| 350 | L | 98.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.5 | -40.8 | 175.1 | -171.5 | 71.7 | 0 | 0 | 0 | 111.8 | L331 L335 A346 A347 W348 N352 I353 A354 L364 L369 L373 A391 | L331-L350 HydrophobicContact CD1-CD1 4.25Å; L335-L350 HydrophobicContact CD1-CD2 3.93Å; A346-L350 WeakPolarHBondContact O-CB 3.37Å; A346-L350 PolarHBondContact O-N 2.68Å; A347-L350 PolarHBondContact O-N 2.75Å; W348-L350 VanDerWaalsContact C-N 3.35Å; W348-L350 PolarHBondContact O-N 3.14Å; L350-N352 VanDerWaalsContact C-N 3.27Å; L350-N352 PolarHBondContact O-N 3.38Å; L350-I353 PolarHBondContact O-N 3.49Å; L350-A354 WeakPolarHBondContact O-CB 3.4Å; L350-A354 PolarHBondContact O-N 3.1Å; L350-L364 HydrophobicContact CD1-CD1 4.21Å; L350-L364 HydrophobicContact CD1-CD2 3.67Å; L350-L369 HydrophobicContact CD1-CB 4.23Å; L350-L369 HydrophobicContact CD1-CD1 3.95Å; L350-L369 HydrophobicContact CD1-CG 3.99Å; L350-L373 HydrophobicContact CD2-CB 4.22Å; L350-L373 HydrophobicContact CD2-CD1 4.16Å; L350-L373 HydrophobicContact CD2-CD2 4.39Å; L350-L373 HydrophobicContact CD2-CG 4.49Å; L350-A391 HydrophobicContact CD2-CB 4.5Å |
| 351 | S | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.9 | -33.4 | 178.4 | 82.6 | 0 | 0 | 0 | 0 | 113 | R36 A347 W348 A349 A355 N394 | R36-S351 PolarHBondContact NH1-OG 2.97Å; A347-S351 WeakPolarHBondContact O-CB 3.28Å; A347-S351 PolarHBondContact O-N 2.95Å; W348-S351 WeakPolarHBondContact O-CB 3.37Å; W348-S351 PolarHBondContact O-N 3.22Å; W348-S351 VanDerWaalsContact O-N 3.16Å; W348-S351 PolarHBondContact O-OG 2.98Å; A349-S351 VanDerWaalsContact C-N 3.3Å; A349-S351 PolarHBondContact O-N 3.23Å; S351-A355 PolarHBondContact O-N 3.08Å; S351-N394 PolarHBondContact O-ND2 2.77Å |
| 352 | N | 93.9 | Very high | 95.5 | Very high | 5 Ų | 5 | 25.5 Ų | 25.5 | 3% | 0.027 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -75.7 | -34.9 | 175.9 | -67.1 | -24.3 | 0 | 0 | 0 | 111.4 | R36 V312 W348 A349 L350 A355 | R36-N352 PolarHBondContact NH2-OD1 3.1Å; V312-N352 HydrophobicContact CG2-CB 3.91Å; V312-N352 WeakPolarHBondContact O-CB 3.44Å; W348-N352 WeakPolarHBondContact CZ2-ND2 3.24Å; W348-N352 PolarHBondContact O-N 2.84Å; A349-N352 PolarHBondContact O-N 3.21Å; L350-N352 VanDerWaalsContact C-N 3.27Å; L350-N352 PolarHBondContact O-N 3.38Å; N352-A355 WeakPolarHBondContact O-CB 3.22Å; N352-A355 PolarHBondContact O-N 3.46Å |
| 353 | I | 95.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.8 | -41 | 172.6 | -60.2 | 166 | 0 | 0 | 0 | 110.6 | V312 T319 I323 V327 L328 L331 A349 L350 A355 G356 L364 | V312-I353 HydrophobicContact CB-CG1 3.99Å; V312-I353 HydrophobicContact CG1-CD1 4.33Å; V312-I353 HydrophobicContact CG1-CG1 3.98Å; V312-I353 HydrophobicContact CG2-CG1 4.23Å; T319-I353 HydrophobicContact CG2-CB 4.26Å; T319-I353 HydrophobicContact CG2-CG1 4.08Å; T319-I353 HydrophobicContact CG2-CG2 4.05Å; I323-I353 HydrophobicContact CD1-CG2 3.99Å; I323-I353 HydrophobicContact CG1-CG2 4.39Å; V327-I353 HydrophobicContact CG1-CD1 4.18Å; L328-I353 HydrophobicContact CD2-CD1 4.02Å; L331-I353 HydrophobicContact CD1-CD1 3.73Å; A349-I353 WeakPolarHBondContact O-CG1 3.33Å; A349-I353 PolarHBondContact O-N 3.14Å; A349-I353 VanDerWaalsContact O-N 3.07Å; L350-I353 PolarHBondContact O-N 3.49Å; I353-A355 PolarHBondContact O-N 2.64Å; I353-G356 PolarHBondContact O-N 2.71Å; I353-L364 HydrophobicContact CB-CD2 4.36Å; I353-L364 HydrophobicContact CG2-CD1 4.35Å; I353-L364 HydrophobicContact CG2-CD2 3.67Å; I353-L364 HydrophobicContact CG2-CG 4.22Å |
| 354 | A | 95.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -14.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L350 G356 L364 N394 F395 | L350-A354 WeakPolarHBondContact O-CB 3.4Å; L350-A354 PolarHBondContact O-N 3.1Å; A354-G356 VanDerWaalsContact C-N 3.3Å; A354-L364 HydrophobicContact CB-CD1 3.85Å; A354-N394 HydrophobicContact CB-CB 4.17Å; A354-N394 CarbonylContact O-C 3.53Å; A354-N394 VanDerWaalsContact O-C 3.32Å; A354-F395 HydrophobicContact CB-CB 4.31Å |
| 355 | A | 91.4 | Very high | 95.9 | Very high | 30 Ų | 30 | 25.8 Ų | 25.8 | 25% | 0.248 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -10.2 | 173 | 0 | 0 | 0 | 0 | 0 | 113.6 | V29 S351 N352 I353 N394 | V29-A355 HydrophobicContact CG1-CB 3.37Å; S351-A355 PolarHBondContact O-N 3.08Å; N352-A355 WeakPolarHBondContact O-CB 3.22Å; N352-A355 PolarHBondContact O-N 3.46Å; I353-A355 PolarHBondContact O-N 2.64Å; A355-N394 HydrophobicContact CB-CB 4.24Å |
| 356 | G | 90.4 | Very high | 96.1 | Very high | 5 Ų | 5 | 29.3 Ų | 29.3 | 5% | 0.052 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -76 | -179.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | I353 A354 | I353-G356 PolarHBondContact O-N 2.71Å; A354-G356 VanDerWaalsContact C-N 3.3Å |
| 357 | P | 92.4 | Very high | 96.1 | Very high | 50 Ų | 50 | 31.4 Ų | 31.4 | 33% | 0.325 | 17% | 0.171 | S | C | . | . | trans | -63.5 | 160.5 | 179.7 | 25.4 | -36.1 | 0 | 0 | 0 | 112.2 | D316 K359 Q360 I361 | D316-P357 HydrophobicContact CB-CG 4.47Å; D316-P357 VanDerWaalsContact CG-CD 3.44Å; D316-P357 WeakPolarHBondContact OD2-CD 3.43Å; P357-K359 PolarHBondContact O-N 3.04Å; P357-Q360 HydrophobicContact CG-CG 4.14Å; P357-Q360 WeakPolarHBondContact O-CB 3.5Å; P357-Q360 PolarHBondContact O-N 3.07Å; P357-I361 PolarHBondContact O-N 3.2Å | ||
| 358 | C | 94.8 | Very high | 96.1 | Very high | 46 Ų | 46 | 33.2 Ų | 33.2 | 31% | 0.311 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -52.2 | -27.8 | -177.5 | 64.6 | 0 | 0 | 0 | 0 | 114.7 | I361 Q362 T400 Q403 | C358-I361 PolarHBondContact O-N 3.36Å; C358-Q362 PolarHBondContact O-N 3.08Å; C358-T400 HydrophobicContact CB-CG2 3.92Å; C358-Q403 PolarHBondContact O-NE2 3.25Å |
| 359 | K | 97.1 | Very high | 96.2 | Very high | 165 Ų | 165 | 32.2 Ų | 32.2 | 72% | 0.717 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -64.7 | -39.1 | 174 | -66.2 | -174.7 | -179.8 | -179.9 | 0 | 112.6 | P357 Q362 Q363 | P357-K359 PolarHBondContact O-N 3.04Å; K359-Q362 WeakPolarHBondContact O-CB 3.48Å; K359-Q362 PolarHBondContact O-N 3.25Å; K359-Q363 PolarHBondContact O-N 3.11Å |
| 360 | Q | 96.8 | Very high | 96.4 | Very high | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.019 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -72.7 | -39.4 | 176.2 | -66.4 | 179.9 | -2.4 | 0 | 0 | 110.9 | D316 T319 I323 P357 Q362 Q363 L364 | D316-Q360 PolarHBondContact O-NE2 3.24Å; T319-Q360 VanDerWaalsContact CG2-OE1 3.24Å; I323-Q360 HydrophobicContact CD1-CB 3.94Å; I323-Q360 HydrophobicContact CD1-CG 3.82Å; P357-Q360 HydrophobicContact CG-CG 4.14Å; P357-Q360 WeakPolarHBondContact O-CB 3.5Å; P357-Q360 PolarHBondContact O-N 3.07Å; Q360-Q362 VanDerWaalsContact C-N 3.27Å; Q360-Q362 PolarHBondContact O-N 3.28Å; Q360-Q363 WeakPolarHBondContact O-CB 3.48Å; Q360-Q363 PolarHBondContact O-N 2.72Å; Q360-L364 PolarHBondContact O-N 2.95Å |
| 361 | I | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.7 | -41.5 | 170.9 | -66.5 | 174 | 0 | 0 | 0 | 110.9 | P357 C358 Q363 L364 I365 F395 G398 Q403 | P357-I361 PolarHBondContact O-N 3.2Å; C358-I361 PolarHBondContact O-N 3.36Å; I361-Q363 PolarHBondContact O-N 2.88Å; I361-L364 WeakPolarHBondContact O-CB 3.23Å; I361-L364 PolarHBondContact O-N 3.1Å; I361-I365 PolarHBondContact O-N 3.08Å; I361-F395 HydrophobicContact CG2-CD1 4.02Å; I361-F395 HydrophobicContact CG2-CD2 3.66Å; I361-F395 HydrophobicContact CG2-CE1 3.76Å; I361-F395 HydrophobicContact CG2-CE2 3.39Å; I361-F395 HydrophobicContact CG2-CG 3.97Å; I361-F395 HydrophobicContact CG2-CZ 3.45Å; I361-F395 VanDerWaalsContact CG2-CZ 3.45Å; I361-G398 VanDerWaalsContact CD1-C 3.41Å; I361-Q403 HydrophobicContact CG2-CB 4.37Å |
| 362 | Q | 98.4 | Very high | 96.5 | Very high | 75 Ų | 75 | 36 Ų | 36 | 35% | 0.35 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.9 | -34.6 | 175.9 | -167 | 57 | 44.9 | 0 | 0 | 112.3 | C358 K359 Q360 L364 I365 T366 | C358-Q362 PolarHBondContact O-N 3.08Å; K359-Q362 WeakPolarHBondContact O-CB 3.48Å; K359-Q362 PolarHBondContact O-N 3.25Å; Q360-Q362 VanDerWaalsContact C-N 3.27Å; Q360-Q362 PolarHBondContact O-N 3.28Å; Q362-L364 VanDerWaalsContact C-N 3.34Å; Q362-I365 PolarHBondContact O-N 3.4Å; Q362-T366 WeakPolarHBondContact O-CB 3.17Å; Q362-T366 PolarHBondContact O-N 2.89Å; Q362-T366 PolarHBondContact O-OG1 3.16Å |
| 363 | Q | 98.5 | Very high | 96.7 | Very high | 74 Ų | 74 | 36 Ų | 36 | 35% | 0.346 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -67.1 | -35.7 | 176.4 | -63.3 | -66.2 | -69.1 | 0 | 0 | 111.5 | I323 L328 K359 Q360 I361 I365 T366 C367 | I323-Q363 HydrophobicContact CG2-CB 4.38Å; I323-Q363 HydrophobicContact CG2-CG 4.27Å; L328-Q363 HydrophobicContact CD1-CB 3.59Å; K359-Q363 PolarHBondContact O-N 3.11Å; Q360-Q363 WeakPolarHBondContact O-CB 3.48Å; Q360-Q363 PolarHBondContact O-N 2.72Å; I361-Q363 PolarHBondContact O-N 2.88Å; Q363-I365 VanDerWaalsContact C-N 3.31Å; Q363-I365 PolarHBondContact O-N 3.3Å; Q363-T366 PolarHBondContact O-N 3.45Å; Q363-C367 VanDerWaalsContact O-CB 3.3Å; Q363-C367 WeakPolarHBondContact O-CB 3.33Å; Q363-C367 PolarHBondContact O-N 3.3Å; Q363-C367 PolarHBondContact O-SG 3.01Å |
| 364 | L | 98.4 | Very high | 96.9 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.6 | -43 | 173.6 | -57.8 | -175.3 | 0 | 0 | 0 | 111.6 | L328 L350 I353 A354 Q360 I361 Q362 G368 L369 F395 | L328-L364 HydrophobicContact CD1-CD2 4.28Å; L328-L364 HydrophobicContact CD2-CD2 3.53Å; L350-L364 HydrophobicContact CD1-CD1 4.21Å; L350-L364 HydrophobicContact CD1-CD2 3.67Å; I353-L364 HydrophobicContact CB-CD2 4.36Å; I353-L364 HydrophobicContact CG2-CD1 4.35Å; I353-L364 HydrophobicContact CG2-CD2 3.67Å; I353-L364 HydrophobicContact CG2-CG 4.22Å; A354-L364 HydrophobicContact CB-CD1 3.85Å; Q360-L364 PolarHBondContact O-N 2.95Å; I361-L364 WeakPolarHBondContact O-CB 3.23Å; I361-L364 PolarHBondContact O-N 3.1Å; Q362-L364 VanDerWaalsContact C-N 3.34Å; L364-G368 PolarHBondContact O-N 3Å; L364-L369 HydrophobicContact CB-CB 4.32Å; L364-L369 HydrophobicContact CD2-CG 4.42Å; L364-L369 WeakPolarHBondContact O-CB 3.48Å; L364-L369 PolarHBondContact O-N 3.35Å; L364-F395 HydrophobicContact CD1-CD2 4.48Å |
| 365 | I | 98.3 | Very high | 97 | Very high | 36 Ų | 36 | 39.8 Ų | 39.8 | 19% | 0.185 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.3 | -51.2 | 176.2 | -61.4 | 163.2 | 0 | 0 | 0 | 110.1 | I361 Q362 Q363 C367 G368 L370 F395 Q403 | I361-I365 PolarHBondContact O-N 3.08Å; Q362-I365 PolarHBondContact O-N 3.4Å; Q363-I365 VanDerWaalsContact C-N 3.31Å; Q363-I365 PolarHBondContact O-N 3.3Å; I365-C367 VanDerWaalsContact C-N 3.26Å; I365-C367 PolarHBondContact O-N 2.79Å; I365-G368 PolarHBondContact O-N 2.94Å; I365-L370 HydrophobicContact CG1-CD1 4.22Å; I365-L370 HydrophobicContact CG1-CD2 4.48Å; I365-L370 HydrophobicContact CG1-CG 4.47Å; I365-F395 HydrophobicContact CD1-CE2 4.33Å; I365-F395 HydrophobicContact CD1-CZ 3.67Å; I365-F395 HydrophobicContact CG1-CE2 4.03Å; I365-F395 HydrophobicContact CG1-CZ 3.79Å; I365-Q403 HydrophobicContact CD1-CB 3.83Å; I365-Q403 HydrophobicContact CD1-CG 3.62Å |
| 366 | T | 97.8 | Very high | 97.3 | Very high | 95 Ų | 95 | 38.5 Ų | 38.5 | 58% | 0.583 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -61 | -35.8 | -175.6 | -53.3 | 0 | 0 | 0 | 0 | 112 | Q362 Q363 G368 | Q362-T366 WeakPolarHBondContact O-CB 3.17Å; Q362-T366 PolarHBondContact O-N 2.89Å; Q362-T366 PolarHBondContact O-OG1 3.16Å; Q363-T366 PolarHBondContact O-N 3.45Å; T366-G368 VanDerWaalsContact C-N 3.3Å; T366-G368 PolarHBondContact O-N 3.42Å |
| 367 | C | 97.5 | Very high | 97.7 | Very high | 45 Ų | 45 | 38.3 Ų | 38.3 | 30% | 0.304 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 5.1 | 176.7 | -66 | 0 | 0 | 0 | 0 | 113.8 | L328 Q363 I365 L369 | L328-C367 HydrophobicContact CB-CB 3.9Å; L328-C367 HydrophobicContact CD1-CB 4.34Å; Q363-C367 VanDerWaalsContact O-CB 3.3Å; Q363-C367 WeakPolarHBondContact O-CB 3.33Å; Q363-C367 PolarHBondContact O-N 3.3Å; Q363-C367 PolarHBondContact O-SG 3.01Å; I365-C367 VanDerWaalsContact C-N 3.26Å; I365-C367 PolarHBondContact O-N 2.79Å; C367-L369 HydrophobicContact CB-CD2 3.55Å; C367-L369 WeakPolarHBondContact O-CD2 3.26Å |
| 368 | G | 97.3 | Very high | 97.9 | Very high | 38 Ų | 38 | 41.3 Ų | 41.3 | 39% | 0.392 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 36 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L364 I365 T366 P372 | L364-G368 PolarHBondContact O-N 3Å; I365-G368 PolarHBondContact O-N 2.94Å; T366-G368 VanDerWaalsContact C-N 3.3Å; T366-G368 PolarHBondContact O-N 3.42Å; G368-P372 VanDerWaalsContact O-CD 3.29Å; G368-P372 WeakPolarHBondContact O-CD 3.46Å |
| 369 | L | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | trans | -81.9 | -13.9 | -179 | -81 | -70.7 | 0 | 0 | 0 | 113.7 | L328 L331 P332 L335 L350 L364 C367 P372 L373 | L328-L369 HydrophobicContact CB-CD2 4.45Å; L331-L369 HydrophobicContact CB-CD1 3.88Å; P332-L369 HydrophobicContact CG-CD1 3.74Å; P332-L369 HydrophobicContact CG-CD2 3.94Å; P332-L369 HydrophobicContact CG-CG 4.49Å; L335-L369 HydrophobicContact CD1-CD1 3.86Å; L350-L369 HydrophobicContact CD1-CB 4.23Å; L350-L369 HydrophobicContact CD1-CD1 3.95Å; L350-L369 HydrophobicContact CD1-CG 3.99Å; L364-L369 HydrophobicContact CB-CB 4.32Å; L364-L369 HydrophobicContact CD2-CG 4.42Å; L364-L369 WeakPolarHBondContact O-CB 3.48Å; L364-L369 PolarHBondContact O-N 3.35Å; C367-L369 HydrophobicContact CB-CD2 3.55Å; C367-L369 WeakPolarHBondContact O-CD2 3.26Å; L369-P372 WeakPolarHBondContact O-CD 3.47Å; L369-L373 WeakPolarHBondContact O-CB 3.26Å; L369-L373 PolarHBondContact O-N 3.19Å; L369-L373 VanDerWaalsContact O-N 3.13Å | ||
| 370 | L | 98.4 | Very high | 97.9 | Very high | 13 Ų | 13 | 38 Ų | 38 | 7% | 0.068 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.8 | -49.9 | -178.2 | -53.6 | -174 | 0 | 0 | 0 | 112.9 | I365 L373 V374 F395 L407 | I365-L370 HydrophobicContact CG1-CD1 4.22Å; I365-L370 HydrophobicContact CG1-CD2 4.48Å; I365-L370 HydrophobicContact CG1-CG 4.47Å; L370-L373 WeakPolarHBondContact O-CB 3.45Å; L370-L373 PolarHBondContact O-N 3.14Å; L370-L373 VanDerWaalsContact O-N 3.13Å; L370-V374 WeakPolarHBondContact O-CG2 3.23Å; L370-V374 PolarHBondContact O-N 3.1Å; L370-F395 HydrophobicContact CD2-CE2 3.81Å; L370-F395 HydrophobicContact CD2-CZ 4.3Å; L370-L407 HydrophobicContact CD2-CD1 3.81Å |
| 371 | P | 98.5 | Very high | 97.8 | Very high | 68 Ų | 68 | 40.9 Ų | 40.9 | 44% | 0.442 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.6 | -46.7 | 179.5 | -19.8 | 31.6 | 0 | 0 | 0 | 113.9 | L373 V374 E375 | P371-L373 VanDerWaalsContact C-N 3.27Å; P371-L373 PolarHBondContact O-N 3.49Å; P371-V374 PolarHBondContact O-N 3.17Å; P371-E375 WeakPolarHBondContact O-CG 3.47Å; P371-E375 PolarHBondContact O-N 3.26Å |
| 372 | P | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.4 | -37.5 | 172.8 | -19.1 | 25.3 | 0 | 0 | 0 | 113.6 | P332 L335 G368 L369 V376 | P332-P372 HydrophobicContact CB-CG 3.98Å; L335-P372 HydrophobicContact CB-CB 3.97Å; L335-P372 HydrophobicContact CD1-CB 3.82Å; G368-P372 VanDerWaalsContact O-CD 3.29Å; G368-P372 WeakPolarHBondContact O-CD 3.46Å; L369-P372 WeakPolarHBondContact O-CD 3.47Å; P372-V376 VanDerWaalsContact O-CG2 3.29Å; P372-V376 WeakPolarHBondContact O-CG2 3.47Å; P372-V376 PolarHBondContact O-N 2.95Å; P372-V376 VanDerWaalsContact O-N 3.12Å |
| 373 | L | 98.6 | Very high | 97.2 | Very high | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.5 | -45.2 | 176.5 | 172.6 | 59.8 | 0 | 0 | 0 | 111.3 | L350 L369 L370 P371 V376 L377 A388 A391 V392 | L350-L373 HydrophobicContact CD2-CB 4.22Å; L350-L373 HydrophobicContact CD2-CD1 4.16Å; L350-L373 HydrophobicContact CD2-CD2 4.39Å; L350-L373 HydrophobicContact CD2-CG 4.49Å; L369-L373 WeakPolarHBondContact O-CB 3.26Å; L369-L373 PolarHBondContact O-N 3.19Å; L369-L373 VanDerWaalsContact O-N 3.13Å; L370-L373 WeakPolarHBondContact O-CB 3.45Å; L370-L373 PolarHBondContact O-N 3.14Å; L370-L373 VanDerWaalsContact O-N 3.13Å; P371-L373 VanDerWaalsContact C-N 3.27Å; P371-L373 PolarHBondContact O-N 3.49Å; L373-V376 WeakPolarHBondContact O-CB 3.44Å; L373-V376 PolarHBondContact O-N 3.44Å; L373-L377 HydrophobicContact CG-CD1 4.38Å; L373-L377 WeakPolarHBondContact O-CG 3.42Å; L373-L377 PolarHBondContact O-N 2.89Å; L373-A388 HydrophobicContact CD1-CB 3.67Å; L373-A391 HydrophobicContact CD1-CB 4.01Å; L373-A391 HydrophobicContact CD2-CB 4.3Å; L373-V392 HydrophobicContact CD2-CG2 4.08Å; L373-V392 HydrophobicContact CG-CG2 4.5Å |
| 374 | V | 98.6 | Very high | 97 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.03 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.1 | -40.4 | 178.4 | 175 | 0 | 0 | 0 | 0 | 111.7 | L370 P371 V376 L377 R378 A412 A415 | L370-V374 WeakPolarHBondContact O-CG2 3.23Å; L370-V374 PolarHBondContact O-N 3.1Å; P371-V374 PolarHBondContact O-N 3.17Å; V374-V376 VanDerWaalsContact C-N 3.28Å; V374-V376 PolarHBondContact O-N 3.1Å; V374-L377 PolarHBondContact O-N 2.88Å; V374-R378 WeakPolarHBondContact O-CG 3.34Å; V374-R378 PolarHBondContact O-N 3.1Å; V374-A412 HydrophobicContact CG2-CB 3.91Å; V374-A415 HydrophobicContact CG1-CB 4.27Å |
| 375 | E | 98.4 | Very high | 97 | Very high | 75 Ų | 75 | 45.6 Ų | 45.6 | 35% | 0.35 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.7 | -41 | 173 | -73 | 169.2 | -145.1 | 0 | 0 | 112 | R336 P371 R378 N379 | R336-E375 WeakPolarHBondContact CD-OE2 3.41Å; R336-E375 WeakPolarHBondContact CG-OE2 3.32Å; R336-E375 IonicContact CZ-OE1 2.79Å; R336-E375 IonicContact CZ-OE2 3.47Å; R336-E375 VanDerWaalsContact NE-CD 3.34Å; R336-E375 IonicContact NE-OE1 2.71Å; R336-E375 PolarHBondContact NE-OE1 3.31Å; R336-E375 IonicContact NE-OE2 3.38Å; R336-E375 PolarHBondContact NE-OE2 3.03Å; R336-E375 IonicContact NH2-OE1 3.72Å; R336-E375 PolarHBondContact NH2-OE1 3.42Å; R336-E375 IonicContact NH2-OE2 3.34Å; P371-E375 WeakPolarHBondContact O-CG 3.47Å; P371-E375 PolarHBondContact O-N 3.26Å; E375-R378 PolarHBondContact O-N 3Å; E375-N379 WeakPolarHBondContact O-CB 3.29Å; E375-N379 PolarHBondContact O-N 3.28Å; E375-N379 PolarHBondContact O-ND2 3.36Å |
| 376 | V | 98.1 | Very high | 96.8 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.024 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.6 | -40.2 | 176.7 | 170.2 | 0 | 0 | 0 | 0 | 111.8 | L335 P372 L373 V374 R378 G380 T384 A388 | L335-V376 HydrophobicContact CB-CG2 4.07Å; L335-V376 HydrophobicContact CD2-CG2 4.28Å; L335-V376 VanDerWaalsContact O-CG2 3.26Å; L335-V376 WeakPolarHBondContact O-CG2 3.38Å; P372-V376 VanDerWaalsContact O-CG2 3.29Å; P372-V376 WeakPolarHBondContact O-CG2 3.47Å; P372-V376 PolarHBondContact O-N 2.95Å; P372-V376 VanDerWaalsContact O-N 3.12Å; L373-V376 WeakPolarHBondContact O-CB 3.44Å; L373-V376 PolarHBondContact O-N 3.44Å; V374-V376 VanDerWaalsContact C-N 3.28Å; V374-V376 PolarHBondContact O-N 3.1Å; V376-R378 VanDerWaalsContact C-N 3.32Å; V376-R378 PolarHBondContact O-N 3.01Å; V376-G380 WeakPolarHBondContact O-CA 3.4Å; V376-G380 PolarHBondContact O-N 3.03Å; V376-T384 HydrophobicContact CG1-CG2 3.37Å; V376-A388 HydrophobicContact CB-CB 4.44Å; V376-A388 HydrophobicContact CG1-CB 3.72Å |
| 377 | L | 98.1 | Very high | 96.6 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60 | -42.8 | 175 | -72 | 165.1 | 0 | 0 | 0 | 111.5 | L373 V374 Q385 A388 V389 V392 A415 I416 L419 | L373-L377 HydrophobicContact CG-CD1 4.38Å; L373-L377 WeakPolarHBondContact O-CG 3.42Å; L373-L377 PolarHBondContact O-N 2.89Å; V374-L377 PolarHBondContact O-N 2.88Å; L377-Q385 PolarHBondContact O-NE2 3.42Å; L377-A388 HydrophobicContact CD2-CB 3.57Å; L377-A388 HydrophobicContact CG-CB 3.87Å; L377-V389 HydrophobicContact CD2-CG2 3.76Å; L377-V392 HydrophobicContact CD1-CG2 3.67Å; L377-A415 HydrophobicContact CB-CB 3.66Å; L377-A415 HydrophobicContact CD1-CB 4.07Å; L377-A415 HydrophobicContact CG-CB 4.49Å; L377-I416 HydrophobicContact CD1-CG2 4.1Å; L377-I416 HydrophobicContact CD2-CG2 4.08Å; L377-L419 HydrophobicContact CD2-CD1 4.06Å |
| 378 | R | 97.3 | Very high | 96.6 | Very high | 112 Ų | 112 | 41 Ų | 41 | 42% | 0.423 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -74.6 | -43.4 | -178.4 | -69.5 | 178.1 | 175.1 | 161.9 | -3.2 | 113.1 | V374 E375 V376 E414 A415 | V374-R378 WeakPolarHBondContact O-CG 3.34Å; V374-R378 PolarHBondContact O-N 3.1Å; E375-R378 PolarHBondContact O-N 3Å; V376-R378 VanDerWaalsContact C-N 3.32Å; V376-R378 PolarHBondContact O-N 3.01Å; R378-E414 IonicContact CZ-OE2 2.73Å; R378-E414 IonicContact NH2-OE2 3.93Å; R378-E414 PolarHBondContact NH2-OE2 3.21Å; R378-A415 HydrophobicContact CG-CB 3.88Å |
| 379 | N | 96.1 | Very high | 96.6 | Very high | 132 Ų | 132 | 39.2 Ų | 39.2 | 71% | 0.706 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -118.3 | -8 | -163.8 | -55.6 | -43.1 | 0 | 0 | 0 | 114.9 | E375 | E375-N379 WeakPolarHBondContact O-CB 3.29Å; E375-N379 PolarHBondContact O-N 3.28Å; E375-N379 PolarHBondContact O-ND2 3.36Å |
| 380 | G | 95.2 | Very high | 96.4 | Very high | 10 Ų | 10 | 40 Ų | 40 | 10% | 0.103 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -68 | 158.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V376 Q385 | V376-G380 WeakPolarHBondContact O-CA 3.4Å; V376-G380 PolarHBondContact O-N 3.03Å; G380-Q385 WeakPolarHBondContact O-CG 3.2Å; G380-Q385 PolarHBondContact O-NE2 3.03Å; G380-Q385 PolarHBondContact O-OE1 3.31Å |
| 381 | D | 94.6 | Very high | 96.3 | Very high | 65 Ų | 65 | 39.4 Ų | 39.4 | 35% | 0.348 | 19% | 0.191 | S | C | . | . | trans | -65.8 | 156.2 | 166.1 | 77.1 | -45.9 | 0 | 0 | 0 | 110 | K383 T384 Q385 | D381-K383 PolarHBondContact O-N 2.96Å; D381-T384 WeakPolarHBondContact O-CA 3.32Å; D381-T384 WeakPolarHBondContact O-CB 3.32Å; D381-T384 PolarHBondContact O-N 3.23Å; D381-T384 WeakPolarHBondContact OD1-CB 3.37Å; D381-T384 PolarHBondContact OD1-N 3.22Å; D381-T384 PolarHBondContact OD1-OG1 3.05Å; D381-Q385 PolarHBondContact O-N 3.35Å | ||
| 382 | F | 93.8 | Very high | 96.3 | Very high | 87 Ų | 87 | 36.2 Ų | 36.2 | 38% | 0.382 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -53.8 | -33.7 | -173.4 | -178.2 | -113.5 | 0 | 0 | 0 | 113.9 | K386 V422 D424 V427 | F382-K386 WeakPolarHBondContact O-CB 3.31Å; F382-K386 PolarHBondContact O-N 3.16Å; F382-V422 HydrophobicContact CD2-CG1 4.26Å; F382-V422 HydrophobicContact CE2-CB 3.85Å; F382-V422 HydrophobicContact CE2-CG1 3.8Å; F382-V422 HydrophobicContact CE2-CG2 4.12Å; F382-V422 HydrophobicContact CZ-CB 4.45Å; F382-D424 HydrophobicContact CE1-CB 4.3Å; F382-D424 HydrophobicContact CZ-CB 3.71Å; F382-V427 HydrophobicContact CZ-CG2 4.18Å |
| 383 | K | 90.9 | Very high | 96.2 | Very high | 138 Ų | 138 | 36.3 Ų | 36.3 | 60% | 0.6 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -66.9 | -36.3 | 176.2 | -66.7 | 179.2 | -178.6 | 172.9 | 0 | 112.4 | K344 D381 | K344-K383 HydrophobicContact CD-CB 4.29Å; D381-K383 PolarHBondContact O-N 2.96Å |
| 384 | T | 94.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -77.3 | -43.6 | 176.3 | -57.9 | 0 | 0 | 0 | 0 | 111 | P340 Q343 K344 A347 V376 D381 K386 E387 A388 | P340-T384 PolarHBondContact O-OG1 3.43Å; Q343-T384 HydrophobicContact CB-CG2 3.79Å; K344-T384 WeakPolarHBondContact CB-OG1 3.49Å; K344-T384 PolarHBondContact N-OG1 3.3Å; A347-T384 HydrophobicContact CB-CG2 4.26Å; V376-T384 HydrophobicContact CG1-CG2 3.37Å; D381-T384 WeakPolarHBondContact O-CA 3.32Å; D381-T384 WeakPolarHBondContact O-CB 3.32Å; D381-T384 PolarHBondContact O-N 3.23Å; D381-T384 WeakPolarHBondContact OD1-CB 3.37Å; D381-T384 PolarHBondContact OD1-N 3.22Å; D381-T384 PolarHBondContact OD1-OG1 3.05Å; T384-K386 PolarHBondContact O-N 3.36Å; T384-E387 PolarHBondContact O-N 3.03Å; T384-A388 PolarHBondContact O-N 3.4Å |
| 385 | Q | 97.4 | Very high | 96 | Very high | 27 Ų | 27 | 36.3 Ų | 36.3 | 13% | 0.126 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -55 | -40.3 | 175.2 | -73 | 174.5 | -39.1 | 0 | 0 | 111.6 | L377 G380 D381 E387 A388 V389 L419 | L377-Q385 PolarHBondContact O-NE2 3.42Å; G380-Q385 WeakPolarHBondContact O-CG 3.2Å; G380-Q385 PolarHBondContact O-NE2 3.03Å; G380-Q385 PolarHBondContact O-OE1 3.31Å; D381-Q385 PolarHBondContact O-N 3.35Å; Q385-E387 VanDerWaalsContact C-N 3.33Å; Q385-E387 PolarHBondContact O-N 3.49Å; Q385-A388 PolarHBondContact O-N 3.36Å; Q385-A388 VanDerWaalsContact O-N 3.15Å; Q385-V389 WeakPolarHBondContact O-CG2 3.38Å; Q385-V389 PolarHBondContact O-N 3.03Å; Q385-L419 HydrophobicContact CB-CD1 4.29Å |
| 386 | K | 94.1 | Very high | 95.9 | Very high | 54 Ų | 54 | 33.1 Ų | 33.1 | 24% | 0.235 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.4 | -42.9 | 174.9 | -178.5 | 164.9 | -173 | 160.4 | 0 | 113.3 | F382 T384 W390 D424 V427 | F382-K386 WeakPolarHBondContact O-CB 3.31Å; F382-K386 PolarHBondContact O-N 3.16Å; T384-K386 PolarHBondContact O-N 3.36Å; K386-W390 PolarHBondContact O-N 3.36Å; K386-D424 IonicContact NZ-OD2 2.77Å; K386-D424 PolarHBondContact NZ-OD2 2.94Å; K386-V427 HydrophobicContact CB-CG2 4.41Å; K386-V427 HydrophobicContact CD-CG2 3.85Å; K386-V427 HydrophobicContact CG-CG2 3.87Å |
| 387 | E | 94 | Very high | 95.7 | Very high | 24 Ų | 24 | 34.1 Ų | 34.1 | 11% | 0.112 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -74 | -32 | 177.6 | -58.9 | -58.9 | 160.2 | 0 | 0 | 112 | R36 K344 A347 W348 T384 Q385 W390 A391 | R36-E387 IonicContact NH1-OE2 3.35Å; R36-E387 PolarHBondContact NH1-OE2 2.87Å; K344-E387 HydrophobicContact CG-CG 4.13Å; A347-E387 HydrophobicContact CB-CB 3.86Å; W348-E387 HydrophobicContact CB-CB 4.43Å; W348-E387 HydrophobicContact CB-CG 4.14Å; T384-E387 PolarHBondContact O-N 3.03Å; Q385-E387 VanDerWaalsContact C-N 3.33Å; Q385-E387 PolarHBondContact O-N 3.49Å; E387-W390 WeakPolarHBondContact O-CB 3.41Å; E387-W390 PolarHBondContact O-N 3.41Å; E387-A391 PolarHBondContact O-N 3.32Å |
| 388 | A | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.5 | -39.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L373 V376 L377 T384 Q385 W390 A391 V392 | L373-A388 HydrophobicContact CD1-CB 3.67Å; V376-A388 HydrophobicContact CB-CB 4.44Å; V376-A388 HydrophobicContact CG1-CB 3.72Å; L377-A388 HydrophobicContact CD2-CB 3.57Å; L377-A388 HydrophobicContact CG-CB 3.87Å; T384-A388 PolarHBondContact O-N 3.4Å; Q385-A388 PolarHBondContact O-N 3.36Å; Q385-A388 VanDerWaalsContact O-N 3.15Å; A388-W390 VanDerWaalsContact C-N 3.3Å; A388-W390 PolarHBondContact O-N 2.94Å; A388-A391 WeakPolarHBondContact O-CB 3.32Å; A388-A391 PolarHBondContact O-N 3.34Å; A388-A391 VanDerWaalsContact O-N 3.08Å; A388-V392 PolarHBondContact O-N 2.98Å |
| 389 | V | 97.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.2 | -43.4 | 171.2 | 165 | 0 | 0 | 0 | 0 | 110.3 | L377 Q385 A391 V392 T393 I416 L419 V427 I430 I431 | L377-V389 HydrophobicContact CD2-CG2 3.76Å; Q385-V389 WeakPolarHBondContact O-CG2 3.38Å; Q385-V389 PolarHBondContact O-N 3.03Å; V389-A391 VanDerWaalsContact C-N 3.3Å; V389-A391 PolarHBondContact O-N 3.39Å; V389-V392 PolarHBondContact O-N 3.31Å; V389-T393 PolarHBondContact O-N 3Å; V389-T393 PolarHBondContact O-OG1 3.41Å; V389-I416 HydrophobicContact CG2-CG2 4.49Å; V389-L419 HydrophobicContact CG2-CD1 3.56Å; V389-V427 HydrophobicContact CG1-CG1 4.42Å; V389-I430 HydrophobicContact CG1-CB 4.17Å; V389-I430 HydrophobicContact CG1-CG2 3.59Å; V389-I431 HydrophobicContact CG1-CG1 3.65Å; V389-I431 HydrophobicContact CG2-CD1 4.37Å; V389-I431 HydrophobicContact CG2-CG1 4.16Å |
| 390 | W | 94.7 | Very high | 95.2 | Very high | 17 Ų | 17 | 27.6 Ų | 27.6 | 6% | 0.064 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.1 | -41 | 172.2 | -86.6 | 114.7 | 0 | 0 | 0 | 113 | C32 K386 E387 A388 V392 T393 N394 I430 | C32-W390 HydrophobicContact CB-CH2 4.33Å; C32-W390 HydrophobicContact CB-CZ3 4.47Å; C32-W390 WeakPolarHBondContact SG-CH2 3.34Å; K386-W390 PolarHBondContact O-N 3.36Å; E387-W390 WeakPolarHBondContact O-CB 3.41Å; E387-W390 PolarHBondContact O-N 3.41Å; A388-W390 VanDerWaalsContact C-N 3.3Å; A388-W390 PolarHBondContact O-N 2.94Å; W390-V392 VanDerWaalsContact C-N 3.34Å; W390-T393 PolarHBondContact O-N 3.37Å; W390-N394 WeakPolarHBondContact O-CB 3.44Å; W390-N394 VanDerWaalsContact O-CG 3.23Å; W390-N394 PolarHBondContact O-N 3.02Å; W390-N394 PolarHBondContact O-ND2 3.28Å; W390-I430 HydrophobicContact CD2-CD1 4.14Å; W390-I430 HydrophobicContact CD2-CG2 4.4Å; W390-I430 HydrophobicContact CE3-CG2 4.32Å; W390-I430 HydrophobicContact CH2-CD1 3.74Å; W390-I430 HydrophobicContact CH2-CG1 3.89Å; W390-I430 HydrophobicContact CZ2-CD1 3.19Å; W390-I430 HydrophobicContact CZ2-CG1 3.89Å; W390-I430 HydrophobicContact CZ3-CD1 4.44Å; W390-I430 HydrophobicContact CZ3-CG1 4.4Å; W390-I430 HydrophobicContact CZ3-CG2 4.47Å |
| 391 | A | 96.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.008 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62 | -42.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L350 L373 E387 A388 V389 F395 | L350-A391 HydrophobicContact CD2-CB 4.5Å; L373-A391 HydrophobicContact CD1-CB 4.01Å; L373-A391 HydrophobicContact CD2-CB 4.3Å; E387-A391 PolarHBondContact O-N 3.32Å; A388-A391 WeakPolarHBondContact O-CB 3.32Å; A388-A391 PolarHBondContact O-N 3.34Å; A388-A391 VanDerWaalsContact O-N 3.08Å; V389-A391 VanDerWaalsContact C-N 3.3Å; V389-A391 PolarHBondContact O-N 3.39Å; A391-F395 WeakPolarHBondContact O-CB 3.39Å; A391-F395 PolarHBondContact O-N 3.35Å |
| 392 | V | 98.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.2 | -48.6 | 175.5 | 170.9 | 0 | 0 | 0 | 0 | 111.7 | L373 L377 A388 V389 W390 N394 F395 T396 L407 I416 A434 M438 | L373-V392 HydrophobicContact CD2-CG2 4.08Å; L373-V392 HydrophobicContact CG-CG2 4.5Å; L377-V392 HydrophobicContact CD1-CG2 3.67Å; A388-V392 PolarHBondContact O-N 2.98Å; V389-V392 PolarHBondContact O-N 3.31Å; W390-V392 VanDerWaalsContact C-N 3.34Å; V392-N394 PolarHBondContact O-N 3.36Å; V392-F395 WeakPolarHBondContact O-CB 3.48Å; V392-F395 PolarHBondContact O-N 2.96Å; V392-T396 WeakPolarHBondContact O-CG2 3.31Å; V392-T396 PolarHBondContact O-N 3.41Å; V392-T396 PolarHBondContact O-OG1 3.42Å; V392-L407 HydrophobicContact CG1-CD2 4.06Å; V392-I416 HydrophobicContact CB-CG2 4.39Å; V392-I416 HydrophobicContact CG1-CD1 4.11Å; V392-I416 HydrophobicContact CG1-CG2 4.1Å; V392-I416 HydrophobicContact CG2-CG2 4.25Å; V392-A434 HydrophobicContact CG1-CB 4.11Å; V392-M438 HydrophobicContact CG1-CE 4.08Å |
| 393 | T | 97 | Very high | 95.6 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.012 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.7 | -39.2 | -178.4 | -52.3 | 0 | 0 | 0 | 0 | 112.4 | V389 W390 T396 S397 I430 E433 A434 | V389-T393 PolarHBondContact O-N 3Å; V389-T393 PolarHBondContact O-OG1 3.41Å; W390-T393 PolarHBondContact O-N 3.37Å; T393-T396 PolarHBondContact O-N 2.95Å; T393-T396 PolarHBondContact O-OG1 3.4Å; T393-S397 VanDerWaalsContact O-CB 3.32Å; T393-S397 WeakPolarHBondContact O-CB 3.41Å; T393-S397 PolarHBondContact O-N 3.05Å; T393-S397 PolarHBondContact O-OG 3.38Å; T393-I430 HydrophobicContact CG2-CG2 4.05Å; T393-I430 WeakPolarHBondContact OG1-CG2 3.48Å; T393-I430 PolarHBondContact OG1-O 3.16Å; T393-E433 HydrophobicContact CG2-CB 4.26Å; T393-E433 HydrophobicContact CG2-CG 4.02Å; T393-A434 HydrophobicContact CG2-CB 4.44Å |
| 394 | N | 94.7 | Very high | 95.9 | Very high | 7 Ų | 7 | 19.1 Ų | 19.1 | 4% | 0.037 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.6 | -44 | 175.5 | -72.7 | -11.3 | 0 | 0 | 0 | 110.9 | S351 A354 A355 W390 V392 T396 S397 G398 | S351-N394 PolarHBondContact O-ND2 2.77Å; A354-N394 HydrophobicContact CB-CB 4.17Å; A354-N394 CarbonylContact O-C 3.53Å; A354-N394 VanDerWaalsContact O-C 3.32Å; A355-N394 HydrophobicContact CB-CB 4.24Å; W390-N394 WeakPolarHBondContact O-CB 3.44Å; W390-N394 VanDerWaalsContact O-CG 3.23Å; W390-N394 PolarHBondContact O-N 3.02Å; W390-N394 PolarHBondContact O-ND2 3.28Å; V392-N394 PolarHBondContact O-N 3.36Å; N394-T396 PolarHBondContact O-N 3.43Å; N394-S397 PolarHBondContact O-N 3.49Å; N394-G398 PolarHBondContact O-N 3.41Å |
| 395 | F | 97.5 | Very high | 96.1 | Very high | 3 Ų | 3 | 19.6 Ų | 19.6 | 1% | 0.013 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57 | -49.5 | 175.2 | -170.6 | -64.4 | 0 | 0 | 0 | 111.4 | A354 I361 L364 I365 L370 A391 V392 S397 G399 Q403 L407 | A354-F395 HydrophobicContact CB-CB 4.31Å; I361-F395 HydrophobicContact CG2-CD1 4.02Å; I361-F395 HydrophobicContact CG2-CD2 3.66Å; I361-F395 HydrophobicContact CG2-CE1 3.76Å; I361-F395 HydrophobicContact CG2-CE2 3.39Å; I361-F395 HydrophobicContact CG2-CG 3.97Å; I361-F395 HydrophobicContact CG2-CZ 3.45Å; I361-F395 VanDerWaalsContact CG2-CZ 3.45Å; L364-F395 HydrophobicContact CD1-CD2 4.48Å; I365-F395 HydrophobicContact CD1-CE2 4.33Å; I365-F395 HydrophobicContact CD1-CZ 3.67Å; I365-F395 HydrophobicContact CG1-CE2 4.03Å; I365-F395 HydrophobicContact CG1-CZ 3.79Å; L370-F395 HydrophobicContact CD2-CE2 3.81Å; L370-F395 HydrophobicContact CD2-CZ 4.3Å; A391-F395 WeakPolarHBondContact O-CB 3.39Å; A391-F395 PolarHBondContact O-N 3.35Å; V392-F395 WeakPolarHBondContact O-CB 3.48Å; V392-F395 PolarHBondContact O-N 2.96Å; F395-S397 VanDerWaalsContact C-N 3.26Å; F395-S397 PolarHBondContact O-N 3.39Å; F395-G399 WeakPolarHBondContact O-CA 3.44Å; F395-G399 PolarHBondContact O-N 3.1Å; F395-Q403 HydrophobicContact CE1-CB 3.91Å; F395-Q403 VanDerWaalsContact CE1-O 3.3Å; F395-Q403 WeakPolarHBondContact CE1-O 3.36Å; F395-Q403 HydrophobicContact CZ-CB 4.15Å; F395-L407 HydrophobicContact CB-CD2 4.29Å; F395-L407 HydrophobicContact CD1-CB 4.25Å; F395-L407 HydrophobicContact CD1-CD2 3.66Å; F395-L407 HydrophobicContact CD1-CG 4.41Å; F395-L407 HydrophobicContact CE1-CB 3.87Å; F395-L407 HydrophobicContact CE1-CD2 4.15Å; F395-L407 HydrophobicContact CE1-CG 4.47Å; F395-L407 HydrophobicContact CG-CD2 4.04Å; F395-L407 HydrophobicContact CZ-CB 4.3Å |
| 396 | T | 96.9 | Very high | 96.1 | Very high | 9 Ų | 9 | 20.2 Ų | 20.2 | 6% | 0.055 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -70.4 | -23.7 | -179.1 | 59.9 | 0 | 0 | 0 | 0 | 113.1 | V392 T393 N394 V404 L407 N437 M438 | V392-T396 WeakPolarHBondContact O-CG2 3.31Å; V392-T396 PolarHBondContact O-N 3.41Å; V392-T396 PolarHBondContact O-OG1 3.42Å; T393-T396 PolarHBondContact O-N 2.95Å; T393-T396 PolarHBondContact O-OG1 3.4Å; N394-T396 PolarHBondContact O-N 3.43Å; T396-V404 HydrophobicContact CG2-CG1 4.45Å; T396-L407 HydrophobicContact CG2-CD2 3.65Å; T396-N437 WeakPolarHBondContact OG1-CB 3.34Å; T396-N437 PolarHBondContact OG1-ND2 3.32Å; T396-M438 HydrophobicContact CG2-CE 3.79Å; T396-M438 HydrophobicContact CG2-CG 3.96Å |
| 397 | S | 93.1 | Very high | 96.3 | Very high | 25 Ų | 25 | 17.6 Ų | 17.6 | 18% | 0.175 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -75.8 | -41.2 | 177.3 | -62 | 0 | 0 | 0 | 0 | 113 | T393 N394 F395 N437 | T393-S397 VanDerWaalsContact O-CB 3.32Å; T393-S397 WeakPolarHBondContact O-CB 3.41Å; T393-S397 PolarHBondContact O-N 3.05Å; T393-S397 PolarHBondContact O-OG 3.38Å; N394-S397 PolarHBondContact O-N 3.49Å; F395-S397 VanDerWaalsContact C-N 3.26Å; F395-S397 PolarHBondContact O-N 3.39Å; S397-N437 PolarHBondContact OG-ND2 3.22Å |
| 398 | G | 89.3 | Confident | 96.5 | Very high | 34 Ų | 34 | 16.9 Ų | 16.9 | 35% | 0.351 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -99.7 | -13.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | I361 N394 | I361-G398 VanDerWaalsContact CD1-C 3.41Å; N394-G398 PolarHBondContact O-N 3.41Å |
| 399 | G | 94.3 | Very high | 96.4 | Very high | 20 Ų | 20 | 21.8 Ų | 21.8 | 21% | 0.206 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -73.5 | 153.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | F395 | F395-G399 WeakPolarHBondContact O-CA 3.44Å; F395-G399 PolarHBondContact O-N 3.1Å |
| 400 | T | 97.1 | Very high | 96.4 | Very high | 53 Ų | 53 | 23.3 Ų | 23.3 | 33% | 0.325 | 14% | 0.142 | S | C | . | . | trans | -71.9 | 165.6 | 164.3 | 59.6 | 0 | 0 | 0 | 0 | 110.6 | C358 E402 Q403 V404 | C358-T400 HydrophobicContact CB-CG2 3.92Å; T400-E402 VanDerWaalsContact C-N 3.32Å; T400-E402 PolarHBondContact O-N 3.43Å; T400-Q403 WeakPolarHBondContact O-CB 3.33Å; T400-Q403 PolarHBondContact O-N 3.45Å; T400-Q403 VanDerWaalsContact O-N 3.13Å; T400-Q403 WeakPolarHBondContact OG1-CG 3.22Å; T400-Q403 PolarHBondContact OG1-OE1 2.94Å; T400-V404 WeakPolarHBondContact O-CG2 3.46Å; T400-V404 PolarHBondContact O-N 2.96Å | ||
| 401 | V | 96.8 | Very high | 96.6 | Very high | 23 Ų | 23 | 23.3 Ų | 23.3 | 14% | 0.139 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -56.4 | -47.1 | 179 | 173.2 | 0 | 0 | 0 | 0 | 111 | Q403 V404 V405 A441 K444 L445 | V401-Q403 VanDerWaalsContact C-N 3.29Å; V401-Q403 PolarHBondContact O-N 3.35Å; V401-V404 PolarHBondContact O-N 3.4Å; V401-V405 VanDerWaalsContact O-CG2 3.28Å; V401-V405 WeakPolarHBondContact O-CG2 3.48Å; V401-V405 PolarHBondContact O-N 2.86Å; V401-A441 HydrophobicContact CG1-CB 4.42Å; V401-A441 HydrophobicContact CG2-CB 4.41Å; V401-K444 HydrophobicContact CG2-CB 4.07Å; V401-K444 HydrophobicContact CG2-CD 3.63Å; V401-L445 HydrophobicContact CG1-CD1 3.38Å; V401-L445 HydrophobicContact CG1-CD2 3.64Å; V401-L445 HydrophobicContact CG1-CG 3.38Å |
| 402 | E | 97.2 | Very high | 96.6 | Very high | 89 Ų | 89 | 23.3 Ų | 23.3 | 42% | 0.416 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -61.5 | -35.6 | 177.9 | -70.5 | 75 | -169 | 0 | 0 | 113.2 | T400 V405 S406 K514 | T400-E402 VanDerWaalsContact C-N 3.32Å; T400-E402 PolarHBondContact O-N 3.43Å; E402-V405 PolarHBondContact O-N 3.05Å; E402-S406 PolarHBondContact O-N 3.38Å; E402-S406 PolarHBondContact O-OG 3.25Å; E402-K514 IonicContact OE1-NZ 2.93Å; E402-K514 PolarHBondContact OE1-NZ 3.19Å |
| 403 | Q | 98.1 | Very high | 96.6 | Very high | 6 Ų | 6 | 23.3 Ų | 23.3 | 3% | 0.028 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -69.7 | -41.2 | 177 | -68.3 | 169.9 | -25.3 | 0 | 0 | 110.9 | C358 I361 I365 F395 T400 V401 V405 S406 L407 | C358-Q403 PolarHBondContact O-NE2 3.25Å; I361-Q403 HydrophobicContact CG2-CB 4.37Å; I365-Q403 HydrophobicContact CD1-CB 3.83Å; I365-Q403 HydrophobicContact CD1-CG 3.62Å; F395-Q403 HydrophobicContact CE1-CB 3.91Å; F395-Q403 VanDerWaalsContact CE1-O 3.3Å; F395-Q403 WeakPolarHBondContact CE1-O 3.36Å; F395-Q403 HydrophobicContact CZ-CB 4.15Å; T400-Q403 WeakPolarHBondContact O-CB 3.33Å; T400-Q403 PolarHBondContact O-N 3.45Å; T400-Q403 VanDerWaalsContact O-N 3.13Å; T400-Q403 WeakPolarHBondContact OG1-CG 3.22Å; T400-Q403 PolarHBondContact OG1-OE1 2.94Å; V401-Q403 VanDerWaalsContact C-N 3.29Å; V401-Q403 PolarHBondContact O-N 3.35Å; Q403-V405 VanDerWaalsContact C-N 3.34Å; Q403-S406 WeakPolarHBondContact O-CB 3.41Å; Q403-S406 PolarHBondContact O-N 3Å; Q403-L407 PolarHBondContact O-N 3.12Å |
| 404 | V | 98.1 | Very high | 96.7 | Very high | 4 Ų | 4 | 26.6 Ų | 26.6 | 2% | 0.024 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.1 | -41.9 | 175.2 | 175.4 | 0 | 0 | 0 | 0 | 110.8 | T396 T400 V401 S406 L407 V408 M438 A441 | T396-V404 HydrophobicContact CG2-CG1 4.45Å; T400-V404 WeakPolarHBondContact O-CG2 3.46Å; T400-V404 PolarHBondContact O-N 2.96Å; V401-V404 PolarHBondContact O-N 3.4Å; V404-S406 VanDerWaalsContact C-N 3.32Å; V404-S406 PolarHBondContact O-N 3.47Å; V404-L407 WeakPolarHBondContact O-CB 3.37Å; V404-L407 PolarHBondContact O-N 3.39Å; V404-L407 VanDerWaalsContact O-N 3.14Å; V404-V408 WeakPolarHBondContact O-CG2 3.44Å; V404-V408 PolarHBondContact O-N 3.43Å; V404-M438 HydrophobicContact CG1-CB 4.28Å; V404-M438 HydrophobicContact CG1-CG 3.89Å; V404-A441 HydrophobicContact CB-CB 4.03Å; V404-A441 HydrophobicContact CG1-CB 3.82Å; V404-A441 HydrophobicContact CG2-CB 4.44Å |
| 405 | V | 97.4 | Very high | 96.8 | Very high | 10 Ų | 10 | 26.3 Ų | 26.3 | 6% | 0.061 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -55.9 | -48.1 | 172.2 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | V401 E402 Q403 L407 V408 Q409 L445 F515 | V401-V405 VanDerWaalsContact O-CG2 3.28Å; V401-V405 WeakPolarHBondContact O-CG2 3.48Å; V401-V405 PolarHBondContact O-N 2.86Å; E402-V405 PolarHBondContact O-N 3.05Å; Q403-V405 VanDerWaalsContact C-N 3.34Å; V405-L407 VanDerWaalsContact C-N 3.26Å; V405-L407 PolarHBondContact O-N 2.63Å; V405-V408 PolarHBondContact O-N 3.43Å; V405-V408 VanDerWaalsContact O-N 3.13Å; V405-Q409 HydrophobicContact CG1-CG 4.32Å; V405-Q409 WeakPolarHBondContact O-CG 3.48Å; V405-Q409 PolarHBondContact O-N 2.92Å; V405-L445 HydrophobicContact CG2-CD1 3.82Å; V405-F515 HydrophobicContact CB-CD1 4.46Å; V405-F515 HydrophobicContact CB-CE1 3.98Å; V405-F515 HydrophobicContact CB-CZ 4.24Å; V405-F515 HydrophobicContact CG1-CD1 3.87Å; V405-F515 HydrophobicContact CG1-CE1 3.87Å; V405-F515 HydrophobicContact CG2-CD1 4.16Å; V405-F515 HydrophobicContact CG2-CD2 4.35Å; V405-F515 HydrophobicContact CG2-CE1 3.62Å; V405-F515 HydrophobicContact CG2-CE2 3.81Å; V405-F515 HydrophobicContact CG2-CZ 3.41Å; V405-F515 VanDerWaalsContact CG2-CZ 3.41Å |
| 406 | S | 98.2 | Very high | 96.9 | Very high | 40 Ų | 40 | 26.2 Ų | 26.2 | 28% | 0.28 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -59.8 | -36.7 | 178.1 | -56.1 | 0 | 0 | 0 | 0 | 112.4 | E402 Q403 V404 S410 | E402-S406 PolarHBondContact O-N 3.38Å; E402-S406 PolarHBondContact O-OG 3.25Å; Q403-S406 WeakPolarHBondContact O-CB 3.41Å; Q403-S406 PolarHBondContact O-N 3Å; V404-S406 VanDerWaalsContact C-N 3.32Å; V404-S406 PolarHBondContact O-N 3.47Å; S406-S410 PolarHBondContact O-N 2.96Å; S406-S410 VanDerWaalsContact O-N 3.11Å |
| 407 | L | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.1 | -43.8 | 175.8 | -175.1 | 67.8 | 0 | 0 | 0 | 111.5 | L370 V392 F395 T396 Q403 V404 V405 S410 A412 M438 | L370-L407 HydrophobicContact CD2-CD1 3.81Å; V392-L407 HydrophobicContact CG1-CD2 4.06Å; F395-L407 HydrophobicContact CB-CD2 4.29Å; F395-L407 HydrophobicContact CD1-CB 4.25Å; F395-L407 HydrophobicContact CD1-CD2 3.66Å; F395-L407 HydrophobicContact CD1-CG 4.41Å; F395-L407 HydrophobicContact CE1-CB 3.87Å; F395-L407 HydrophobicContact CE1-CD2 4.15Å; F395-L407 HydrophobicContact CE1-CG 4.47Å; F395-L407 HydrophobicContact CG-CD2 4.04Å; F395-L407 HydrophobicContact CZ-CB 4.3Å; T396-L407 HydrophobicContact CG2-CD2 3.65Å; Q403-L407 PolarHBondContact O-N 3.12Å; V404-L407 WeakPolarHBondContact O-CB 3.37Å; V404-L407 PolarHBondContact O-N 3.39Å; V404-L407 VanDerWaalsContact O-N 3.14Å; V405-L407 VanDerWaalsContact C-N 3.26Å; V405-L407 PolarHBondContact O-N 2.63Å; L407-S410 PolarHBondContact O-N 3.43Å; L407-S410 PolarHBondContact O-OG 2.74Å; L407-A412 HydrophobicContact CD1-CB 3.69Å; L407-A412 HydrophobicContact CG-CB 3.77Å; L407-A412 WeakPolarHBondContact O-CB 3.17Å; L407-A412 PolarHBondContact O-N 3.39Å; L407-M438 HydrophobicContact CD2-CE 4.17Å |
| 408 | V | 97.6 | Very high | 97.1 | Very high | 8 Ų | 8 | 28.5 Ų | 28.5 | 5% | 0.048 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.2 | -49.2 | 175.3 | 175.9 | 0 | 0 | 0 | 0 | 110.5 | V404 V405 S410 G411 L413 M438 L454 F515 F517 | V404-V408 WeakPolarHBondContact O-CG2 3.44Å; V404-V408 PolarHBondContact O-N 3.43Å; V405-V408 PolarHBondContact O-N 3.43Å; V405-V408 VanDerWaalsContact O-N 3.13Å; V408-S410 PolarHBondContact O-N 2.89Å; V408-S410 VanDerWaalsContact O-N 3.12Å; V408-G411 PolarHBondContact O-N 2.95Å; V408-L413 HydrophobicContact CG1-CB 4.34Å; V408-L413 HydrophobicContact CG1-CD2 4.09Å; V408-M438 HydrophobicContact CG2-CE 4.42Å; V408-M438 HydrophobicContact CG2-CG 4.22Å; V408-M438 HydrophobicContact CG2-SD 3.85Å; V408-L454 HydrophobicContact CG1-CD2 3.79Å; V408-F515 HydrophobicContact CB-CE1 4.46Å; V408-F517 HydrophobicContact CG1-CE1 3.85Å |
| 409 | Q | 96.4 | Very high | 97.4 | Very high | 103 Ų | 103 | 27.5 Ų | 27.5 | 48% | 0.481 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -59.8 | -23.6 | 177.7 | -73.1 | 175.8 | -29.4 | 0 | 0 | 113.3 | V405 G411 E516 | V405-Q409 HydrophobicContact CG1-CG 4.32Å; V405-Q409 WeakPolarHBondContact O-CG 3.48Å; V405-Q409 PolarHBondContact O-N 2.92Å; Q409-G411 PolarHBondContact O-N 3.14Å; Q409-E516 PolarHBondContact NE2-O 3.42Å |
| 410 | S | 97.1 | Very high | 97.5 | Very high | 35 Ų | 35 | 26.8 Ų | 26.8 | 25% | 0.245 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -6.2 | 175.4 | 77.3 | 0 | 0 | 0 | 0 | 114.4 | S406 L407 V408 | S406-S410 PolarHBondContact O-N 2.96Å; S406-S410 VanDerWaalsContact O-N 3.11Å; L407-S410 PolarHBondContact O-N 3.43Å; L407-S410 PolarHBondContact O-OG 2.74Å; V408-S410 PolarHBondContact O-N 2.89Å; V408-S410 VanDerWaalsContact O-N 3.12Å |
| 411 | G | 97.6 | Very high | 97.3 | Very high | 17 Ų | 17 | 31.2 Ų | 31.2 | 18% | 0.175 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.5 | 12.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | V408 Q409 L413 A415 | V408-G411 PolarHBondContact O-N 2.95Å; Q409-G411 PolarHBondContact O-N 3.14Å; G411-L413 VanDerWaalsContact C-N 3.32Å; G411-L413 PolarHBondContact O-N 3.29Å; G411-A415 PolarHBondContact O-N 3.43Å |
| 412 | A | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.8 | -33.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V374 L407 A415 I416 | V374-A412 HydrophobicContact CG2-CB 3.91Å; L407-A412 HydrophobicContact CD1-CB 3.69Å; L407-A412 HydrophobicContact CG-CB 3.77Å; L407-A412 WeakPolarHBondContact O-CB 3.17Å; L407-A412 PolarHBondContact O-N 3.39Å; A412-A415 PolarHBondContact O-N 2.89Å; A412-I416 WeakPolarHBondContact O-CG1 3.16Å; A412-I416 PolarHBondContact O-N 2.88Å |
| 413 | L | 98.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.9 | -52.6 | 178.8 | 174.9 | 58.3 | 0 | 0 | 0 | 111.7 | V408 G411 A415 I416 I417 I435 M438 L451 L454 I455 L458 | V408-L413 HydrophobicContact CG1-CB 4.34Å; V408-L413 HydrophobicContact CG1-CD2 4.09Å; G411-L413 VanDerWaalsContact C-N 3.32Å; G411-L413 PolarHBondContact O-N 3.29Å; L413-A415 VanDerWaalsContact C-N 3.27Å; L413-A415 PolarHBondContact O-N 3.26Å; L413-I416 HydrophobicContact CD1-CD1 4.5Å; L413-I416 WeakPolarHBondContact O-CG1 3.39Å; L413-I416 PolarHBondContact O-N 3.22Å; L413-I417 HydrophobicContact CD1-CD1 3.8Å; L413-I417 HydrophobicContact CD1-CG1 4.13Å; L413-I417 HydrophobicContact CG-CD1 3.87Å; L413-I417 WeakPolarHBondContact O-CG1 3.06Å; L413-I417 PolarHBondContact O-N 3.05Å; L413-I435 HydrophobicContact CD1-CG1 4.27Å; L413-M438 HydrophobicContact CB-SD 4.3Å; L413-M438 HydrophobicContact CD1-SD 3.8Å; L413-M438 HydrophobicContact CG-SD 4.49Å; L413-L451 HydrophobicContact CD2-CD1 3.77Å; L413-L454 HydrophobicContact CD2-CD2 3.89Å; L413-L454 HydrophobicContact CD2-CG 4.21Å; L413-I455 HydrophobicContact CD1-CD1 4.45Å; L413-I455 HydrophobicContact CD1-CG1 4.2Å; L413-I455 HydrophobicContact CD2-CG1 3.86Å; L413-I455 HydrophobicContact CG-CG1 4.44Å; L413-L458 HydrophobicContact CD2-CD1 4.22Å; L413-L458 HydrophobicContact CG-CD1 4.14Å |
| 414 | E | 98 | Very high | 96.6 | Very high | 71 Ų | 71 | 39 Ų | 39 | 33% | 0.332 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -54.8 | -45.7 | 174.4 | -180 | -166 | 177.8 | 0 | 0 | 111 | R378 I416 I417 N418 L458 | R378-E414 IonicContact CZ-OE2 2.73Å; R378-E414 IonicContact NH2-OE2 3.93Å; R378-E414 PolarHBondContact NH2-OE2 3.21Å; E414-I416 VanDerWaalsContact C-N 3.35Å; E414-I416 PolarHBondContact O-N 3.18Å; E414-I417 PolarHBondContact O-N 3.4Å; E414-N418 PolarHBondContact O-N 3.15Å; E414-N418 VanDerWaalsContact O-N 3.1Å; E414-N418 PolarHBondContact O-ND2 3.37Å; E414-L458 HydrophobicContact CB-CD1 3.98Å; E414-L458 HydrophobicContact CB-CD2 4.01Å; E414-L458 HydrophobicContact CG-CD2 3.98Å |
| 415 | A | 98.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.6 | -37.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V374 L377 R378 G411 A412 L413 | V374-A415 HydrophobicContact CG1-CB 4.27Å; L377-A415 HydrophobicContact CB-CB 3.66Å; L377-A415 HydrophobicContact CD1-CB 4.07Å; L377-A415 HydrophobicContact CG-CB 4.49Å; R378-A415 HydrophobicContact CG-CB 3.88Å; G411-A415 PolarHBondContact O-N 3.43Å; A412-A415 PolarHBondContact O-N 2.89Å; L413-A415 VanDerWaalsContact C-N 3.27Å; L413-A415 PolarHBondContact O-N 3.26Å |
| 416 | I | 98.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -78.8 | -30.7 | 176 | 65.9 | 174.5 | 0 | 0 | 0 | 112.9 | L377 V389 V392 A412 L413 E414 N418 L419 I431 A434 I435 M438 | L377-I416 HydrophobicContact CD1-CG2 4.1Å; L377-I416 HydrophobicContact CD2-CG2 4.08Å; V389-I416 HydrophobicContact CG2-CG2 4.49Å; V392-I416 HydrophobicContact CB-CG2 4.39Å; V392-I416 HydrophobicContact CG1-CD1 4.11Å; V392-I416 HydrophobicContact CG1-CG2 4.1Å; V392-I416 HydrophobicContact CG2-CG2 4.25Å; A412-I416 WeakPolarHBondContact O-CG1 3.16Å; A412-I416 PolarHBondContact O-N 2.88Å; L413-I416 HydrophobicContact CD1-CD1 4.5Å; L413-I416 WeakPolarHBondContact O-CG1 3.39Å; L413-I416 PolarHBondContact O-N 3.22Å; E414-I416 VanDerWaalsContact C-N 3.35Å; E414-I416 PolarHBondContact O-N 3.18Å; I416-N418 VanDerWaalsContact C-N 3.32Å; I416-N418 PolarHBondContact O-N 2.84Å; I416-L419 WeakPolarHBondContact O-CB 3.37Å; I416-L419 PolarHBondContact O-N 2.78Å; I416-L419 VanDerWaalsContact O-N 3.08Å; I416-I431 HydrophobicContact CB-CG2 4.02Å; I416-I431 HydrophobicContact CD1-CG2 4.35Å; I416-I431 HydrophobicContact CG1-CG2 4.25Å; I416-I431 WeakPolarHBondContact O-CG2 3.42Å; I416-A434 HydrophobicContact CD1-CB 4.02Å; I416-I435 HydrophobicContact CD1-CG1 4.01Å; I416-M438 HydrophobicContact CD1-CE 3.95Å |
| 417 | I | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.3 | -47.9 | 173.3 | -77.6 | 168.1 | 0 | 0 | 0 | 109.6 | L413 E414 L419 L420 I435 I455 L458 Q463 | L413-I417 HydrophobicContact CD1-CD1 3.8Å; L413-I417 HydrophobicContact CD1-CG1 4.13Å; L413-I417 HydrophobicContact CG-CD1 3.87Å; L413-I417 WeakPolarHBondContact O-CG1 3.06Å; L413-I417 PolarHBondContact O-N 3.05Å; E414-I417 PolarHBondContact O-N 3.4Å; I417-L419 PolarHBondContact O-N 3.32Å; I417-L420 WeakPolarHBondContact O-CB 3.15Å; I417-L420 WeakPolarHBondContact O-CG 3.07Å; I417-L420 PolarHBondContact O-N 3.16Å; I417-I435 HydrophobicContact CG1-CD1 4.38Å; I417-I455 HydrophobicContact CD1-CG1 4.34Å; I417-I455 HydrophobicContact CD1-CG2 4.28Å; I417-L458 HydrophobicContact CD1-CB 3.97Å; I417-L458 HydrophobicContact CD1-CD1 4.15Å; I417-Q463 PolarHBondContact O-OE1 2.94Å |
| 418 | N | 96.4 | Very high | 95.8 | Very high | 82 Ų | 82 | 42.1 Ų | 42.1 | 44% | 0.439 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -17.4 | 177.9 | -70.3 | -26.2 | 0 | 0 | 0 | 113.9 | E414 I416 | E414-N418 PolarHBondContact O-N 3.15Å; E414-N418 VanDerWaalsContact O-N 3.1Å; E414-N418 PolarHBondContact O-ND2 3.37Å; I416-N418 VanDerWaalsContact C-N 3.32Å; I416-N418 PolarHBondContact O-N 2.84Å |
| 419 | L | 96.8 | Very high | 95.7 | Very high | 13 Ų | 13 | 43.9 Ų | 43.9 | 7% | 0.068 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -0.1 | 176.7 | -66.1 | 174.8 | 0 | 0 | 0 | 113.8 | L377 Q385 V389 I416 I417 Q421 V422 I431 | L377-L419 HydrophobicContact CD2-CD1 4.06Å; Q385-L419 HydrophobicContact CB-CD1 4.29Å; V389-L419 HydrophobicContact CG2-CD1 3.56Å; I416-L419 WeakPolarHBondContact O-CB 3.37Å; I416-L419 PolarHBondContact O-N 2.78Å; I416-L419 VanDerWaalsContact O-N 3.08Å; I417-L419 PolarHBondContact O-N 3.32Å; L419-Q421 PolarHBondContact O-N 2.75Å; L419-V422 HydrophobicContact CD2-CG1 4.33Å; L419-V422 WeakPolarHBondContact O-CG1 3.16Å; L419-V422 WeakPolarHBondContact O-CG2 3.27Å; L419-V422 PolarHBondContact O-N 2.63Å; L419-I431 HydrophobicContact CB-CD1 3.56Å; L419-I431 WeakPolarHBondContact O-CD1 3.34Å |
| 420 | L | 96 | Very high | 95.6 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -19.7 | 174.9 | -71.6 | 170.6 | 0 | 0 | 0 | 113 | I417 V422 I428 I431 L432 I435 Q463 I464 L467 | I417-L420 WeakPolarHBondContact O-CB 3.15Å; I417-L420 WeakPolarHBondContact O-CG 3.07Å; I417-L420 PolarHBondContact O-N 3.16Å; L420-V422 VanDerWaalsContact C-N 3.26Å; L420-V422 PolarHBondContact O-N 3.33Å; L420-I428 HydrophobicContact CD2-CG2 4.29Å; L420-I431 HydrophobicContact CD2-CB 3.97Å; L420-I431 HydrophobicContact CD2-CG2 3.49Å; L420-I431 VanDerWaalsContact CD2-CG2 3.49Å; L420-I431 HydrophobicContact CG-CG2 3.95Å; L420-L432 HydrophobicContact CD2-CD2 3.97Å; L420-L432 HydrophobicContact CD2-CG 4.24Å; L420-I435 HydrophobicContact CD1-CD1 4.31Å; L420-Q463 HydrophobicContact CB-CB 4.39Å; L420-Q463 HydrophobicContact CD1-CB 4.1Å; L420-I464 HydrophobicContact CD1-CG1 3.88Å; L420-L467 HydrophobicContact CB-CD1 4.41Å; L420-L467 HydrophobicContact CD2-CD1 3.9Å |
| 421 | Q | 92.8 | Very high | 95.6 | Very high | 146 Ų | 146 | 37.7 Ų | 37.7 | 68% | 0.682 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -1.2 | -179 | -54.6 | -178.5 | 18.6 | 0 | 0 | 114 | L419 | L419-Q421 PolarHBondContact O-N 2.75Š|
| 422 | V | 93.4 | Very high | 95.6 | Very high | 30 Ų | 30 | 37.2 Ų | 37.2 | 18% | 0.182 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -73.9 | 152.9 | -178.5 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | F382 L419 L420 D424 V427 I428 | F382-V422 HydrophobicContact CD2-CG1 4.26Å; F382-V422 HydrophobicContact CE2-CB 3.85Å; F382-V422 HydrophobicContact CE2-CG1 3.8Å; F382-V422 HydrophobicContact CE2-CG2 4.12Å; F382-V422 HydrophobicContact CZ-CB 4.45Å; L419-V422 HydrophobicContact CD2-CG1 4.33Å; L419-V422 WeakPolarHBondContact O-CG1 3.16Å; L419-V422 WeakPolarHBondContact O-CG2 3.27Å; L419-V422 PolarHBondContact O-N 2.63Å; L420-V422 VanDerWaalsContact C-N 3.26Å; L420-V422 PolarHBondContact O-N 3.33Å; V422-D424 PolarHBondContact O-N 3.06Å; V422-V427 HydrophobicContact CG2-CB 4.15Å; V422-V427 HydrophobicContact CG2-CG1 4.02Å; V422-I428 HydrophobicContact CG2-CG1 4.06Å; V422-I428 WeakPolarHBondContact O-CD1 3.3Å |
| 423 | K | 91.6 | Very high | 95.5 | Very high | 206 Ų | 206 | 40.4 Ų | 40.4 | 90% | 0.896 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -77.3 | -17.8 | -178.8 | -63 | -174.8 | 178.1 | -176 | 0 | 114.8 | A425 | K423-A425 PolarHBondContact O-N 3.33Å; K423-A425 VanDerWaalsContact O-N 3.1Å |
| 424 | D | 91.9 | Very high | 95.5 | Very high | 46 Ų | 46 | 40.3 Ų | 40.3 | 25% | 0.246 | 20% | 0.196 | C | C | . | . | trans | -77.4 | 99.8 | -176.8 | -173.6 | -22.4 | 0 | 0 | 0 | 109.7 | F382 K386 V422 K426 V427 I428 | F382-D424 HydrophobicContact CE1-CB 4.3Å; F382-D424 HydrophobicContact CZ-CB 3.71Å; K386-D424 IonicContact NZ-OD2 2.77Å; K386-D424 PolarHBondContact NZ-OD2 2.94Å; V422-D424 PolarHBondContact O-N 3.06Å; D424-K426 PolarHBondContact O-N 3.42Å; D424-K426 VanDerWaalsContact O-N 3.08Å; D424-K426 WeakPolarHBondContact OD1-CA 3.44Å; D424-K426 VanDerWaalsContact OD1-CB 3.24Å; D424-K426 WeakPolarHBondContact OD1-CB 3.04Å; D424-K426 PolarHBondContact OD1-N 2.77Å; D424-V427 HydrophobicContact CB-CB 4.17Å; D424-V427 HydrophobicContact CB-CG2 3.94Å; D424-V427 PolarHBondContact O-N 3.33Å; D424-V427 PolarHBondContact OD1-N 3.4Å; D424-I428 PolarHBondContact O-N 3.47Å; D424-I428 VanDerWaalsContact O-N 3.1Å | ||
| 425 | A | 94.1 | Very high | 95.5 | Very high | 20 Ų | 20 | 37 Ų | 37 | 17% | 0.165 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -53.2 | -30.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | K423 L429 N472 V475 | K423-A425 PolarHBondContact O-N 3.33Å; K423-A425 VanDerWaalsContact O-N 3.1Å; A425-L429 VanDerWaalsContact O-CG 3.25Å; A425-L429 WeakPolarHBondContact O-CG 3.47Å; A425-L429 PolarHBondContact O-N 2.96Å; A425-N472 HydrophobicContact CB-CB 4.23Å; A425-V475 HydrophobicContact CB-CG2 3.9Å |
| 426 | K | 90.6 | Very high | 95.5 | Very high | 95 Ų | 95 | 39.3 Ų | 39.3 | 41% | 0.413 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -68.7 | -41 | 177.2 | -171 | 178.9 | 178.8 | 179 | 0 | 110.8 | D424 L429 I430 | D424-K426 PolarHBondContact O-N 3.42Å; D424-K426 VanDerWaalsContact O-N 3.08Å; D424-K426 WeakPolarHBondContact OD1-CA 3.44Å; D424-K426 VanDerWaalsContact OD1-CB 3.24Å; D424-K426 WeakPolarHBondContact OD1-CB 3.04Å; D424-K426 PolarHBondContact OD1-N 2.77Å; K426-L429 PolarHBondContact O-N 2.88Å; K426-I430 HydrophobicContact CG-CD1 4.07Å; K426-I430 WeakPolarHBondContact O-CD1 3.34Å; K426-I430 WeakPolarHBondContact O-CG1 3.31Å; K426-I430 PolarHBondContact O-N 3.43Å; K426-I430 VanDerWaalsContact O-N 3.16Å |
| 427 | V | 92.7 | Very high | 95.4 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.7 | -44.6 | 177.2 | 176.7 | 0 | 0 | 0 | 0 | 110.4 | F382 K386 V389 V422 D424 L429 I430 I431 | F382-V427 HydrophobicContact CZ-CG2 4.18Å; K386-V427 HydrophobicContact CB-CG2 4.41Å; K386-V427 HydrophobicContact CD-CG2 3.85Å; K386-V427 HydrophobicContact CG-CG2 3.87Å; V389-V427 HydrophobicContact CG1-CG1 4.42Å; V422-V427 HydrophobicContact CG2-CB 4.15Å; V422-V427 HydrophobicContact CG2-CG1 4.02Å; D424-V427 HydrophobicContact CB-CB 4.17Å; D424-V427 HydrophobicContact CB-CG2 3.94Å; D424-V427 PolarHBondContact O-N 3.33Å; D424-V427 PolarHBondContact OD1-N 3.4Å; V427-L429 VanDerWaalsContact C-N 3.33Å; V427-L429 PolarHBondContact O-N 2.93Å; V427-I430 PolarHBondContact O-N 3.44Å; V427-I430 VanDerWaalsContact O-N 3.12Å; V427-I431 HydrophobicContact CG1-CD1 3.92Å; V427-I431 HydrophobicContact CG1-CG1 4.46Å; V427-I431 WeakPolarHBondContact O-CG1 3.49Å; V427-I431 PolarHBondContact O-N 3.39Å |
| 428 | I | 97.2 | Very high | 95.5 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55.8 | -48.4 | 176 | -64.2 | 164.6 | 0 | 0 | 0 | 110.9 | L420 V422 D424 I430 I431 L432 L467 V475 | L420-I428 HydrophobicContact CD2-CG2 4.29Å; V422-I428 HydrophobicContact CG2-CG1 4.06Å; V422-I428 WeakPolarHBondContact O-CD1 3.3Å; D424-I428 PolarHBondContact O-N 3.47Å; D424-I428 VanDerWaalsContact O-N 3.1Å; I428-I430 VanDerWaalsContact C-N 3.29Å; I428-I430 PolarHBondContact O-N 3.44Å; I428-I431 PolarHBondContact O-N 2.68Å; I428-I431 VanDerWaalsContact O-N 3.14Å; I428-L432 HydrophobicContact CG2-CD1 4.03Å; I428-L432 HydrophobicContact CG2-CG 4.31Å; I428-L432 WeakPolarHBondContact O-CG 3.41Å; I428-L432 PolarHBondContact O-N 2.89Å; I428-L467 HydrophobicContact CD1-CD2 4.21Å; I428-L467 HydrophobicContact CG2-CD1 3.58Å; I428-L467 HydrophobicContact CG2-CD2 4.08Å; I428-L467 HydrophobicContact CG2-CG 4.48Å; I428-V475 HydrophobicContact CG2-CG1 3.71Å; I428-V475 HydrophobicContact CG2-CG2 4.43Å |
| 429 | L | 95.6 | Very high | 95.5 | Very high | 45 Ų | 45 | 36.2 Ų | 36.2 | 24% | 0.236 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.8 | -38.3 | 178.5 | -72.4 | 170.6 | 0 | 0 | 0 | 113 | A425 K426 V427 I431 L432 E433 I474 V475 A478 | A425-L429 VanDerWaalsContact O-CG 3.25Å; A425-L429 WeakPolarHBondContact O-CG 3.47Å; A425-L429 PolarHBondContact O-N 2.96Å; K426-L429 PolarHBondContact O-N 2.88Å; V427-L429 VanDerWaalsContact C-N 3.33Å; V427-L429 PolarHBondContact O-N 2.93Å; L429-I431 VanDerWaalsContact C-N 3.35Å; L429-L432 PolarHBondContact O-N 3.35Å; L429-E433 WeakPolarHBondContact O-CB 3.36Å; L429-E433 PolarHBondContact O-N 3.13Å; L429-I474 HydrophobicContact CD1-CB 4.33Å; L429-I474 HydrophobicContact CD1-CG2 3.87Å; L429-I474 HydrophobicContact CD2-CB 4.45Å; L429-I474 HydrophobicContact CD2-CG2 3.78Å; L429-V475 HydrophobicContact CD1-CG2 4.38Å; L429-V475 HydrophobicContact CD2-CB 4.49Å; L429-V475 HydrophobicContact CD2-CG2 3.99Å; L429-V475 HydrophobicContact CG-CG2 3.87Å; L429-A478 HydrophobicContact CD2-CB 3.96Å |
| 430 | I | 94.1 | Very high | 95.5 | Very high | 8 Ų | 8 | 37.1 Ų | 37.1 | 4% | 0.041 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.1 | -36.6 | 178.1 | -65.7 | 157.9 | 0 | 0 | 0 | 111 | V389 W390 T393 K426 V427 I428 A434 | V389-I430 HydrophobicContact CG1-CB 4.17Å; V389-I430 HydrophobicContact CG1-CG2 3.59Å; W390-I430 HydrophobicContact CD2-CD1 4.14Å; W390-I430 HydrophobicContact CD2-CG2 4.4Å; W390-I430 HydrophobicContact CE3-CG2 4.32Å; W390-I430 HydrophobicContact CH2-CD1 3.74Å; W390-I430 HydrophobicContact CH2-CG1 3.89Å; W390-I430 HydrophobicContact CZ2-CD1 3.19Å; W390-I430 HydrophobicContact CZ2-CG1 3.89Å; W390-I430 HydrophobicContact CZ3-CD1 4.44Å; W390-I430 HydrophobicContact CZ3-CG1 4.4Å; W390-I430 HydrophobicContact CZ3-CG2 4.47Å; T393-I430 HydrophobicContact CG2-CG2 4.05Å; T393-I430 WeakPolarHBondContact OG1-CG2 3.48Å; T393-I430 PolarHBondContact OG1-O 3.16Å; K426-I430 HydrophobicContact CG-CD1 4.07Å; K426-I430 WeakPolarHBondContact O-CD1 3.34Å; K426-I430 WeakPolarHBondContact O-CG1 3.31Å; K426-I430 PolarHBondContact O-N 3.43Å; K426-I430 VanDerWaalsContact O-N 3.16Å; V427-I430 PolarHBondContact O-N 3.44Å; V427-I430 VanDerWaalsContact O-N 3.12Å; I428-I430 VanDerWaalsContact C-N 3.29Å; I428-I430 PolarHBondContact O-N 3.44Å; I430-A434 PolarHBondContact O-N 2.96Å |
| 431 | I | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.1 | -48.5 | 175.1 | -65.1 | 165.1 | 0 | 0 | 0 | 110.3 | V389 I416 L419 L420 V427 I428 L429 E433 A434 I435 | V389-I431 HydrophobicContact CG1-CG1 3.65Å; V389-I431 HydrophobicContact CG2-CD1 4.37Å; V389-I431 HydrophobicContact CG2-CG1 4.16Å; I416-I431 HydrophobicContact CB-CG2 4.02Å; I416-I431 HydrophobicContact CD1-CG2 4.35Å; I416-I431 HydrophobicContact CG1-CG2 4.25Å; I416-I431 WeakPolarHBondContact O-CG2 3.42Å; L419-I431 HydrophobicContact CB-CD1 3.56Å; L419-I431 WeakPolarHBondContact O-CD1 3.34Å; L420-I431 HydrophobicContact CD2-CB 3.97Å; L420-I431 HydrophobicContact CD2-CG2 3.49Å; L420-I431 VanDerWaalsContact CD2-CG2 3.49Å; L420-I431 HydrophobicContact CG-CG2 3.95Å; V427-I431 HydrophobicContact CG1-CD1 3.92Å; V427-I431 HydrophobicContact CG1-CG1 4.46Å; V427-I431 WeakPolarHBondContact O-CG1 3.49Å; V427-I431 PolarHBondContact O-N 3.39Å; I428-I431 PolarHBondContact O-N 2.68Å; I428-I431 VanDerWaalsContact O-N 3.14Å; L429-I431 VanDerWaalsContact C-N 3.35Å; I431-E433 VanDerWaalsContact C-N 3.25Å; I431-E433 PolarHBondContact O-N 2.85Å; I431-A434 WeakPolarHBondContact O-CA 3.24Å; I431-A434 WeakPolarHBondContact O-CB 3.15Å; I431-A434 PolarHBondContact O-N 2.94Å; I431-I435 HydrophobicContact CG2-CD1 3.93Å; I431-I435 HydrophobicContact CG2-CG1 4.41Å; I431-I435 WeakPolarHBondContact O-CG1 3.39Å; I431-I435 PolarHBondContact O-N 3.01Å |
| 432 | L | 97.8 | Very high | 95.6 | Very high | 6 Ų | 6 | 30.3 Ų | 30.3 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.6 | -37.7 | 177.1 | -67.1 | 175.8 | 0 | 0 | 0 | 111.7 | L420 I428 L429 I435 N436 I464 L467 A478 A479 L482 | L420-L432 HydrophobicContact CD2-CD2 3.97Å; L420-L432 HydrophobicContact CD2-CG 4.24Å; I428-L432 HydrophobicContact CG2-CD1 4.03Å; I428-L432 HydrophobicContact CG2-CG 4.31Å; I428-L432 WeakPolarHBondContact O-CG 3.41Å; I428-L432 PolarHBondContact O-N 2.89Å; L429-L432 PolarHBondContact O-N 3.35Å; L432-I435 PolarHBondContact O-N 3.32Å; L432-N436 WeakPolarHBondContact O-CB 3.46Å; L432-N436 PolarHBondContact O-N 2.87Å; L432-I464 HydrophobicContact CD2-CG1 4.22Å; L432-I464 HydrophobicContact CD2-CG2 4.45Å; L432-L467 HydrophobicContact CD1-CD1 4.27Å; L432-L467 HydrophobicContact CD2-CD1 4.26Å; L432-A478 HydrophobicContact CD1-CB 3.83Å; L432-A479 HydrophobicContact CD1-CB 4.36Å; L432-L482 HydrophobicContact CD2-CD2 4.24Å |
| 433 | E | 96.6 | Very high | 95.7 | Very high | 67 Ų | 67 | 32.6 Ų | 32.6 | 31% | 0.313 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -62.6 | -42.5 | 172.4 | -177.7 | 169.4 | -161.4 | 0 | 0 | 111.9 | R28 T393 L429 I431 N436 N437 | R28-E433 IonicContact NH1-OE1 3.04Å; T393-E433 HydrophobicContact CG2-CB 4.26Å; T393-E433 HydrophobicContact CG2-CG 4.02Å; L429-E433 WeakPolarHBondContact O-CB 3.36Å; L429-E433 PolarHBondContact O-N 3.13Å; I431-E433 VanDerWaalsContact C-N 3.25Å; I431-E433 PolarHBondContact O-N 2.85Å; E433-N436 PolarHBondContact O-N 3.04Å; E433-N437 VanDerWaalsContact O-CG 3.26Å; E433-N437 PolarHBondContact O-N 2.75Å; E433-N437 PolarHBondContact O-ND2 3.42Å |
| 434 | A | 97.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.008 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.5 | -44.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V392 T393 I416 I430 I431 N437 M438 | V392-A434 HydrophobicContact CG1-CB 4.11Å; T393-A434 HydrophobicContact CG2-CB 4.44Å; I416-A434 HydrophobicContact CD1-CB 4.02Å; I430-A434 PolarHBondContact O-N 2.96Å; I431-A434 WeakPolarHBondContact O-CA 3.24Å; I431-A434 WeakPolarHBondContact O-CB 3.15Å; I431-A434 PolarHBondContact O-N 2.94Å; A434-N437 WeakPolarHBondContact O-CB 3.41Å; A434-N437 PolarHBondContact O-N 3.33Å; A434-M438 WeakPolarHBondContact O-CG 3.33Å; A434-M438 PolarHBondContact O-N 3.44Å |
| 435 | I | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.5 | -45.5 | 177.8 | -64.8 | 170.6 | 0 | 0 | 0 | 110.2 | L413 I416 I417 L420 I431 L432 N437 M438 F439 I455 I464 L482 | L413-I435 HydrophobicContact CD1-CG1 4.27Å; I416-I435 HydrophobicContact CD1-CG1 4.01Å; I417-I435 HydrophobicContact CG1-CD1 4.38Å; L420-I435 HydrophobicContact CD1-CD1 4.31Å; I431-I435 HydrophobicContact CG2-CD1 3.93Å; I431-I435 HydrophobicContact CG2-CG1 4.41Å; I431-I435 WeakPolarHBondContact O-CG1 3.39Å; I431-I435 PolarHBondContact O-N 3.01Å; L432-I435 PolarHBondContact O-N 3.32Å; I435-N437 VanDerWaalsContact C-N 3.31Å; I435-N437 PolarHBondContact O-N 3.08Å; I435-M438 WeakPolarHBondContact O-CB 3.49Å; I435-M438 PolarHBondContact O-N 3.47Å; I435-M438 VanDerWaalsContact O-N 3.07Å; I435-F439 HydrophobicContact CG2-CD2 3.92Å; I435-F439 HydrophobicContact CG2-CE2 3.8Å; I435-F439 WeakPolarHBondContact O-CD2 3.38Å; I435-F439 PolarHBondContact O-N 3.37Å; I435-I455 HydrophobicContact CG2-CD1 3.87Å; I435-I464 HydrophobicContact CD1-CD1 4.46Å; I435-L482 HydrophobicContact CB-CD2 4.45Å; I435-L482 HydrophobicContact CG2-CD2 3.86Å |
| 436 | N | 97.9 | Very high | 95.8 | Very high | 50 Ų | 50 | 32.4 Ų | 32.4 | 27% | 0.267 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -59.6 | -39.7 | 175.3 | 178.8 | 76 | 0 | 0 | 0 | 112.4 | L432 E433 M438 F439 I440 L482 | L432-N436 WeakPolarHBondContact O-CB 3.46Å; L432-N436 PolarHBondContact O-N 2.87Å; E433-N436 PolarHBondContact O-N 3.04Å; N436-M438 VanDerWaalsContact C-N 3.31Å; N436-M438 PolarHBondContact O-N 3.01Å; N436-F439 PolarHBondContact O-N 2.92Å; N436-I440 WeakPolarHBondContact ND2-CD1 3.25Å; N436-I440 WeakPolarHBondContact O-CG1 3.29Å; N436-I440 PolarHBondContact O-N 3.46Å; N436-L482 HydrophobicContact CB-CD1 3.83Å |
| 437 | N | 96.9 | Very high | 96 | Very high | 17 Ų | 17 | 28.9 Ų | 28.9 | 9% | 0.091 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.4 | -35.7 | 174.8 | -71.1 | -21.1 | 0 | 0 | 0 | 112.4 | T396 S397 E433 A434 I435 I440 A441 | T396-N437 WeakPolarHBondContact OG1-CB 3.34Å; T396-N437 PolarHBondContact OG1-ND2 3.32Å; S397-N437 PolarHBondContact OG-ND2 3.22Å; E433-N437 VanDerWaalsContact O-CG 3.26Å; E433-N437 PolarHBondContact O-N 2.75Å; E433-N437 PolarHBondContact O-ND2 3.42Å; A434-N437 WeakPolarHBondContact O-CB 3.41Å; A434-N437 PolarHBondContact O-N 3.33Å; I435-N437 VanDerWaalsContact C-N 3.31Å; I435-N437 PolarHBondContact O-N 3.08Å; N437-I440 PolarHBondContact O-N 3.28Å; N437-A441 PolarHBondContact O-N 3.29Å; N437-A441 VanDerWaalsContact O-N 3.12Å |
| 438 | M | 98.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.7 | -42.2 | 173.4 | -65.6 | 173.4 | -176.7 | 0 | 0 | 111.2 | V392 T396 V404 L407 V408 L413 I416 A434 I435 N436 I440 A441 A442 L451 | V392-M438 HydrophobicContact CG1-CE 4.08Å; T396-M438 HydrophobicContact CG2-CE 3.79Å; T396-M438 HydrophobicContact CG2-CG 3.96Å; V404-M438 HydrophobicContact CG1-CB 4.28Å; V404-M438 HydrophobicContact CG1-CG 3.89Å; L407-M438 HydrophobicContact CD2-CE 4.17Å; V408-M438 HydrophobicContact CG2-CE 4.42Å; V408-M438 HydrophobicContact CG2-CG 4.22Å; V408-M438 HydrophobicContact CG2-SD 3.85Å; L413-M438 HydrophobicContact CB-SD 4.3Å; L413-M438 HydrophobicContact CD1-SD 3.8Å; L413-M438 HydrophobicContact CG-SD 4.49Å; I416-M438 HydrophobicContact CD1-CE 3.95Å; A434-M438 WeakPolarHBondContact O-CG 3.33Å; A434-M438 PolarHBondContact O-N 3.44Å; I435-M438 WeakPolarHBondContact O-CB 3.49Å; I435-M438 PolarHBondContact O-N 3.47Å; I435-M438 VanDerWaalsContact O-N 3.07Å; N436-M438 VanDerWaalsContact C-N 3.31Å; N436-M438 PolarHBondContact O-N 3.01Å; M438-I440 PolarHBondContact O-N 3.26Å; M438-A441 WeakPolarHBondContact O-CB 3.33Å; M438-A441 PolarHBondContact O-N 3.03Å; M438-A441 VanDerWaalsContact O-N 3.11Å; M438-A442 PolarHBondContact O-N 3.06Å; M438-L451 HydrophobicContact CB-CD2 4.01Å |
| 439 | F | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62 | -41.4 | 172.9 | -84.4 | -66.1 | 0 | 0 | 0 | 113.4 | I435 N436 A441 A442 E443 L451 S452 I455 L482 Y486 F487 | I435-F439 HydrophobicContact CG2-CD2 3.92Å; I435-F439 HydrophobicContact CG2-CE2 3.8Å; I435-F439 WeakPolarHBondContact O-CD2 3.38Å; I435-F439 PolarHBondContact O-N 3.37Å; N436-F439 PolarHBondContact O-N 2.92Å; F439-A441 PolarHBondContact O-N 3.11Å; F439-A442 CarbonylContact O-C 3.51Å; F439-A442 WeakPolarHBondContact O-CB 3.37Å; F439-A442 PolarHBondContact O-N 3.49Å; F439-E443 WeakPolarHBondContact O-CG 3.44Å; F439-E443 PolarHBondContact O-N 3.23Å; F439-L451 HydrophobicContact CB-CD2 4.42Å; F439-L451 HydrophobicContact CD1-CB 4.46Å; F439-L451 HydrophobicContact CD1-CD2 3.69Å; F439-L451 HydrophobicContact CD1-CG 4.2Å; F439-L451 HydrophobicContact CD2-CD2 4.48Å; F439-L451 HydrophobicContact CE1-CB 4.21Å; F439-L451 HydrophobicContact CE1-CD2 4.01Å; F439-L451 HydrophobicContact CE1-CG 4.01Å; F439-L451 HydrophobicContact CG-CD2 3.94Å; F439-L451 HydrophobicContact CZ-CG 4.44Å; F439-S452 WeakPolarHBondContact CE1-OG 3.36Å; F439-I455 HydrophobicContact CD2-CD1 4.38Å; F439-I455 HydrophobicContact CE1-CD1 4.39Å; F439-I455 HydrophobicContact CE2-CD1 3.45Å; F439-I455 VanDerWaalsContact CE2-CD1 3.45Å; F439-I455 HydrophobicContact CZ-CD1 3.46Å; F439-I455 VanDerWaalsContact CZ-CD1 3.46Å; F439-L482 HydrophobicContact CD2-CD1 4.07Å; F439-L482 HydrophobicContact CE2-CD1 4.4Å; F439-Y486 HydrophobicContact CB-CD1 4.09Å; F439-Y486 HydrophobicContact CB-CD2 4.03Å; F439-Y486 HydrophobicContact CB-CE1 3.65Å; F439-Y486 HydrophobicContact CB-CE2 3.57Å; F439-Y486 HydrophobicContact CB-CG 4.26Å; F439-Y486 AromaticContact CD1-CD1 3.59Å; F439-Y486 HydrophobicContact CD1-CD1 3.59Å; F439-Y486 HydrophobicContact CD1-CD2 4.14Å; F439-Y486 AromaticContact CD1-CE1 3.99Å; F439-Y486 HydrophobicContact CD1-CE1 3.99Å; F439-Y486 HydrophobicContact CD1-CE2 4.49Å; F439-Y486 AromaticContact CD1-CG 3.67Å; F439-Y486 HydrophobicContact CD1-CG 3.67Å; F439-Y486 AromaticContact CD2-CD2 3.64Å; F439-Y486 HydrophobicContact CD2-CD2 3.64Å; F439-Y486 AromaticContact CD2-CE2 3.94Å; F439-Y486 HydrophobicContact CD2-CE2 3.94Å; F439-Y486 AromaticContact CD2-CG 3.98Å; F439-Y486 HydrophobicContact CD2-CG 3.98Å; F439-Y486 HydrophobicContact CE1-CD1 4.11Å; F439-Y486 AromaticContact CE1-CG 3.9Å; F439-Y486 HydrophobicContact CE1-CG 3.9Å; F439-Y486 HydrophobicContact CE2-CD2 4.04Å; F439-Y486 HydrophobicContact CE2-CG 4.16Å; F439-Y486 AromaticContact CG-CD1 3.86Å; F439-Y486 HydrophobicContact CG-CD1 3.86Å; F439-Y486 AromaticContact CG-CD2 3.69Å; F439-Y486 HydrophobicContact CG-CD2 3.69Å; F439-Y486 AromaticContact CG-CE1 3.95Å; F439-Y486 HydrophobicContact CG-CE1 3.95Å; F439-Y486 AromaticContact CG-CE2 3.78Å; F439-Y486 HydrophobicContact CG-CE2 3.78Å; F439-Y486 AromaticContact CG-CG 3.72Å; F439-Y486 HydrophobicContact CG-CG 3.72Å; F439-Y486 AromaticContact CG-CZ 3.91Å; F439-Y486 HydrophobicContact CZ-CD2 4.46Å; F439-Y486 HydrophobicContact CZ-CG 4.11Å; F439-F487 AromaticContact CE2-CE2 3.88Å; F439-F487 HydrophobicContact CE2-CE2 3.88Å; F439-F487 HydrophobicContact CE2-CZ 4.18Å; F439-F487 AromaticContact CZ-CE2 3.6Å; F439-F487 HydrophobicContact CZ-CE2 3.6Å; F439-F487 AromaticContact CZ-CZ 3.61Å; F439-F487 HydrophobicContact CZ-CZ 3.61Å |
| 440 | I | 96.3 | Very high | 95.9 | Very high | 33 Ų | 33 | 39.6 Ų | 39.6 | 17% | 0.169 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.9 | -33.6 | 174 | -69 | 166.5 | 0 | 0 | 0 | 111.3 | N436 N437 M438 K444 | N436-I440 WeakPolarHBondContact ND2-CD1 3.25Å; N436-I440 WeakPolarHBondContact O-CG1 3.29Å; N436-I440 PolarHBondContact O-N 3.46Å; N437-I440 PolarHBondContact O-N 3.28Å; M438-I440 PolarHBondContact O-N 3.26Å; I440-K444 WeakPolarHBondContact O-CG 3.33Å |
| 441 | A | 95.5 | Very high | 96 | Very high | 6 Ų | 6 | 39.2 Ų | 39.2 | 5% | 0.05 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.6 | -41.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V401 V404 N437 M438 F439 K444 L445 | V401-A441 HydrophobicContact CG1-CB 4.42Å; V401-A441 HydrophobicContact CG2-CB 4.41Å; V404-A441 HydrophobicContact CB-CB 4.03Å; V404-A441 HydrophobicContact CG1-CB 3.82Å; V404-A441 HydrophobicContact CG2-CB 4.44Å; N437-A441 PolarHBondContact O-N 3.29Å; N437-A441 VanDerWaalsContact O-N 3.12Å; M438-A441 WeakPolarHBondContact O-CB 3.33Å; M438-A441 PolarHBondContact O-N 3.03Å; M438-A441 VanDerWaalsContact O-N 3.11Å; F439-A441 PolarHBondContact O-N 3.11Å; A441-K444 PolarHBondContact O-N 3.4Å; A441-L445 PolarHBondContact O-N 3.03Å |
| 442 | A | 95.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.8 | -38.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | M438 F439 K444 L445 G446 E447 T448 L451 F515 | M438-A442 PolarHBondContact O-N 3.06Å; F439-A442 CarbonylContact O-C 3.51Å; F439-A442 WeakPolarHBondContact O-CB 3.37Å; F439-A442 PolarHBondContact O-N 3.49Å; A442-K444 VanDerWaalsContact C-N 3.25Å; A442-K444 PolarHBondContact O-N 3.43Å; A442-L445 CarbonylContact O-C 3.32Å; A442-L445 PolarHBondContact O-N 3.23Å; A442-G446 PolarHBondContact O-N 3.06Å; A442-E447 PolarHBondContact O-N 3.18Å; A442-T448 HydrophobicContact CB-CG2 4.24Å; A442-L451 HydrophobicContact CB-CB 4.08Å; A442-L451 HydrophobicContact CB-CD2 3.8Å; A442-F515 HydrophobicContact CB-CE2 4.3Å |
| 443 | E | 95.8 | Very high | 95.9 | Very high | 79 Ų | 79 | 44.3 Ų | 44.3 | 37% | 0.369 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -54.8 | -41.9 | 172.8 | -76.9 | 174.2 | 178.1 | 0 | 0 | 111.4 | F439 L445 G446 T448 K485 Y486 | F439-E443 WeakPolarHBondContact O-CG 3.44Å; F439-E443 PolarHBondContact O-N 3.23Å; E443-L445 PolarHBondContact O-N 3.14Å; E443-G446 PolarHBondContact O-N 3.09Å; E443-T448 HydrophobicContact CB-CG2 4.14Å; E443-T448 HydrophobicContact CG-CG2 3.57Å; E443-K485 WeakPolarHBondContact OE1-CE 3.09Å; E443-K485 IonicContact OE1-NZ 3.25Å; E443-K485 PolarHBondContact OE1-NZ 3.18Å; E443-K485 IonicContact OE2-NZ 3.2Å; E443-Y486 HydrophobicContact CG-CE1 4.18Å; E443-Y486 WeakPolarHBondContact OE1-CE1 3.19Å; E443-Y486 PolarHBondContact OE1-OH 3.46Å |
| 444 | K | 94.1 | Very high | 95.9 | Very high | 147 Ų | 147 | 42.4 Ų | 42.4 | 64% | 0.639 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -69.6 | -21.9 | 179.1 | -68.7 | 172.7 | -179.4 | 179.5 | 0 | 113.4 | V401 I440 A441 A442 | V401-K444 HydrophobicContact CG2-CB 4.07Å; V401-K444 HydrophobicContact CG2-CD 3.63Å; I440-K444 WeakPolarHBondContact O-CG 3.33Å; A441-K444 PolarHBondContact O-N 3.4Å; A442-K444 VanDerWaalsContact C-N 3.25Å; A442-K444 PolarHBondContact O-N 3.43Å |
| 445 | L | 93.1 | Very high | 95.9 | Very high | 55 Ų | 55 | 42.3 Ų | 42.3 | 29% | 0.288 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -94.8 | -10.4 | 175.8 | -66.1 | 176.4 | 0 | 0 | 0 | 112.8 | V401 V405 A441 A442 E443 E447 F515 | V401-L445 HydrophobicContact CG1-CD1 3.38Å; V401-L445 HydrophobicContact CG1-CD2 3.64Å; V401-L445 HydrophobicContact CG1-CG 3.38Å; V405-L445 HydrophobicContact CG2-CD1 3.82Å; A441-L445 PolarHBondContact O-N 3.03Å; A442-L445 CarbonylContact O-C 3.32Å; A442-L445 PolarHBondContact O-N 3.23Å; E443-L445 PolarHBondContact O-N 3.14Å; L445-E447 HydrophobicContact CB-CB 4.17Å; L445-E447 HydrophobicContact CB-CG 4.02Å; L445-F515 HydrophobicContact CD1-CD2 3.8Å; L445-F515 HydrophobicContact CD1-CE2 3.49Å; L445-F515 VanDerWaalsContact CD1-CE2 3.49Å; L445-F515 HydrophobicContact CD1-CZ 4.4Å |
| 446 | G | 92.6 | Very high | 95.8 | Very high | 65 Ų | 65 | 47.6 Ų | 47.6 | 67% | 0.67 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 26.8 | -168.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A442 E443 | A442-G446 PolarHBondContact O-N 3.06Å; E443-G446 PolarHBondContact O-N 3.09Å |
| 447 | E | 94.5 | Very high | 95.7 | Very high | 22 Ų | 22 | 52.9 Ų | 52.9 | 10% | 0.103 | 27% | 0.273 | C | S | . | . | trans | -116.5 | 29.4 | -175.6 | -64.6 | -169.2 | 119.1 | 0 | 0 | 111.3 | A442 L445 K450 L451 F515 | A442-E447 PolarHBondContact O-N 3.18Å; L445-E447 HydrophobicContact CB-CB 4.17Å; L445-E447 HydrophobicContact CB-CG 4.02Å; E447-K450 HydrophobicContact CB-CD 4.22Å; E447-K450 HydrophobicContact CG-CD 4.23Å; E447-K450 PolarHBondContact O-N 3.09Å; E447-K450 IonicContact OE1-NZ 2.71Å; E447-K450 PolarHBondContact OE1-NZ 3.4Å; E447-L451 PolarHBondContact O-N 2.84Å; E447-F515 HydrophobicContact CB-CD2 3.62Å; E447-F515 HydrophobicContact CB-CE2 4.25Å; E447-F515 HydrophobicContact CG-CD2 4.17Å; E447-F515 WeakPolarHBondContact OE2-CB 3.49Å; E447-F515 WeakPolarHBondContact OE2-CD2 3.25Å; E447-F515 PolarHBondContact OE2-N 3.29Å; E447-F515 VanDerWaalsContact OE2-N 3.08Å | ||
| 448 | T | 94.7 | Very high | 95.7 | Very high | 43 Ų | 43 | 54.4 Ų | 54.4 | 26% | 0.264 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.3 | -45.8 | 178.9 | 43.3 | 0 | 0 | 0 | 0 | 112.2 | A442 E443 K450 L451 S452 | A442-T448 HydrophobicContact CB-CG2 4.24Å; E443-T448 HydrophobicContact CB-CG2 4.14Å; E443-T448 HydrophobicContact CG-CG2 3.57Å; T448-K450 VanDerWaalsContact C-N 3.3Å; T448-K450 PolarHBondContact O-N 3.32Å; T448-L451 PolarHBondContact O-N 3.39Å; T448-L451 VanDerWaalsContact O-N 3.11Å; T448-S452 PolarHBondContact O-N 2.76Å; T448-S452 PolarHBondContact O-OG 2.93Å |
| 449 | E | 94.3 | Very high | 95.6 | Very high | 157 Ų | 157 | 55.7 Ų | 55.7 | 73% | 0.734 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -57.8 | -43.2 | 178.1 | -68.1 | 175.6 | -174.1 | 0 | 0 | 111.7 | L451 S452 L453 | E449-L451 VanDerWaalsContact C-N 3.33Å; E449-L451 PolarHBondContact O-N 3.24Å; E449-S452 PolarHBondContact O-N 3.35Å; E449-L453 WeakPolarHBondContact O-CG 3.04Å; E449-L453 PolarHBondContact O-N 3.26Å |
| 450 | K | 94.1 | Very high | 95.5 | Very high | 74 Ų | 74 | 55.7 Ų | 55.7 | 32% | 0.322 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.8 | -40.8 | 176.9 | -68.2 | -174.7 | 175 | -179.2 | 0 | 112.3 | E447 T448 L454 F515 F517 | E447-K450 HydrophobicContact CB-CD 4.22Å; E447-K450 HydrophobicContact CG-CD 4.23Å; E447-K450 PolarHBondContact O-N 3.09Å; E447-K450 IonicContact OE1-NZ 2.71Å; E447-K450 PolarHBondContact OE1-NZ 3.4Å; T448-K450 VanDerWaalsContact C-N 3.3Å; T448-K450 PolarHBondContact O-N 3.32Å; K450-L454 WeakPolarHBondContact O-CB 3.4Å; K450-L454 PolarHBondContact O-N 3.13Å; K450-F515 HydrophobicContact CD-CB 4.22Å; K450-F515 PolarHBondContact NZ-O 3.29Å; K450-F517 HydrophobicContact CB-CE2 4.15Å |
| 451 | L | 96.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.8 | -37.2 | 177.2 | -176.3 | 62.5 | 0 | 0 | 0 | 111.6 | L413 M438 F439 A442 E447 T448 E449 L454 I455 | L413-L451 HydrophobicContact CD2-CD1 3.77Å; M438-L451 HydrophobicContact CB-CD2 4.01Å; F439-L451 HydrophobicContact CB-CD2 4.42Å; F439-L451 HydrophobicContact CD1-CB 4.46Å; F439-L451 HydrophobicContact CD1-CD2 3.69Å; F439-L451 HydrophobicContact CD1-CG 4.2Å; F439-L451 HydrophobicContact CD2-CD2 4.48Å; F439-L451 HydrophobicContact CE1-CB 4.21Å; F439-L451 HydrophobicContact CE1-CD2 4.01Å; F439-L451 HydrophobicContact CE1-CG 4.01Å; F439-L451 HydrophobicContact CG-CD2 3.94Å; F439-L451 HydrophobicContact CZ-CG 4.44Å; A442-L451 HydrophobicContact CB-CB 4.08Å; A442-L451 HydrophobicContact CB-CD2 3.8Å; E447-L451 PolarHBondContact O-N 2.84Å; T448-L451 PolarHBondContact O-N 3.39Å; T448-L451 VanDerWaalsContact O-N 3.11Å; E449-L451 VanDerWaalsContact C-N 3.33Å; E449-L451 PolarHBondContact O-N 3.24Å; L451-L454 HydrophobicContact CD1-CD2 4.46Å; L451-L454 PolarHBondContact O-N 2.89Å; L451-I455 HydrophobicContact CD1-CD1 4.29Å; L451-I455 HydrophobicContact CD1-CG1 4.44Å; L451-I455 HydrophobicContact CG-CD1 4.06Å; L451-I455 WeakPolarHBondContact O-CG1 3.34Å; L451-I455 PolarHBondContact O-N 2.88Å |
| 452 | S | 96.7 | Very high | 95.6 | Very high | 15 Ų | 15 | 61.4 Ų | 61.4 | 11% | 0.105 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.5 | -49.8 | 173.8 | -63.7 | 0 | 0 | 0 | 0 | 111 | F439 T448 E449 L454 I455 E456 Y486 | F439-S452 WeakPolarHBondContact CE1-OG 3.36Å; T448-S452 PolarHBondContact O-N 2.76Å; T448-S452 PolarHBondContact O-OG 2.93Å; E449-S452 PolarHBondContact O-N 3.35Å; S452-L454 VanDerWaalsContact C-N 3.34Å; S452-L454 PolarHBondContact O-N 2.93Å; S452-I455 PolarHBondContact O-N 3.32Å; S452-I455 VanDerWaalsContact O-N 3.16Å; S452-E456 PolarHBondContact O-N 3.5Å; S452-Y486 PolarHBondContact OG-O 2.86Å |
| 453 | L | 96.1 | Very high | 95.6 | Very high | 99 Ų | 99 | 62.5 Ų | 62.5 | 52% | 0.518 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -57.9 | -45.3 | 175.7 | -71.8 | 171.9 | 0 | 0 | 0 | 111.8 | E449 I455 E456 E457 | E449-L453 WeakPolarHBondContact O-CG 3.04Å; E449-L453 PolarHBondContact O-N 3.26Å; L453-I455 VanDerWaalsContact C-N 3.35Å; L453-I455 PolarHBondContact O-N 3.38Å; L453-E456 WeakPolarHBondContact O-CB 3.35Å; L453-E456 PolarHBondContact O-N 3.04Å; L453-E457 WeakPolarHBondContact O-CG 3.4Å; L453-E457 PolarHBondContact O-N 3.41Å |
| 454 | L | 97.2 | Very high | 95.7 | Very high | 26 Ų | 26 | 58.7 Ų | 58.7 | 14% | 0.136 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 176.7 | 178.1 | 62.3 | 0 | 0 | 0 | 111.9 | V408 L413 K450 L451 S452 E456 E457 L458 F517 | V408-L454 HydrophobicContact CG1-CD2 3.79Å; L413-L454 HydrophobicContact CD2-CD2 3.89Å; L413-L454 HydrophobicContact CD2-CG 4.21Å; K450-L454 WeakPolarHBondContact O-CB 3.4Å; K450-L454 PolarHBondContact O-N 3.13Å; L451-L454 HydrophobicContact CD1-CD2 4.46Å; L451-L454 PolarHBondContact O-N 2.89Å; S452-L454 VanDerWaalsContact C-N 3.34Å; S452-L454 PolarHBondContact O-N 2.93Å; L454-E456 VanDerWaalsContact C-N 3.3Å; L454-E456 PolarHBondContact O-N 3.5Å; L454-E457 PolarHBondContact O-N 2.9Å; L454-L458 HydrophobicContact CD1-CD1 3.92Å; L454-L458 HydrophobicContact CD1-CG 4.1Å; L454-L458 HydrophobicContact CG-CD1 3.94Å; L454-L458 HydrophobicContact CG-CG 4.48Å; L454-L458 WeakPolarHBondContact O-CB 3.29Å; L454-L458 WeakPolarHBondContact O-CG 3.45Å; L454-L458 PolarHBondContact O-N 3.46Å; L454-F517 HydrophobicContact CD2-CD1 3.86Å; L454-F517 HydrophobicContact CD2-CE1 3.49Å; L454-F517 VanDerWaalsContact CD2-CE1 3.49Å; L454-F517 HydrophobicContact CD2-CE2 4.23Å; L454-F517 HydrophobicContact CD2-CG 4.38Å; L454-F517 HydrophobicContact CD2-CZ 3.69Å |
| 455 | I | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65 | -37.7 | 177.8 | -71.6 | 170 | 0 | 0 | 0 | 110.9 | L413 I417 I435 F439 L451 S452 L453 L458 G459 G460 I464 F487 | L413-I455 HydrophobicContact CD1-CD1 4.45Å; L413-I455 HydrophobicContact CD1-CG1 4.2Å; L413-I455 HydrophobicContact CD2-CG1 3.86Å; L413-I455 HydrophobicContact CG-CG1 4.44Å; I417-I455 HydrophobicContact CD1-CG1 4.34Å; I417-I455 HydrophobicContact CD1-CG2 4.28Å; I435-I455 HydrophobicContact CG2-CD1 3.87Å; F439-I455 HydrophobicContact CD2-CD1 4.38Å; F439-I455 HydrophobicContact CE1-CD1 4.39Å; F439-I455 HydrophobicContact CE2-CD1 3.45Å; F439-I455 VanDerWaalsContact CE2-CD1 3.45Å; F439-I455 HydrophobicContact CZ-CD1 3.46Å; F439-I455 VanDerWaalsContact CZ-CD1 3.46Å; L451-I455 HydrophobicContact CD1-CD1 4.29Å; L451-I455 HydrophobicContact CD1-CG1 4.44Å; L451-I455 HydrophobicContact CG-CD1 4.06Å; L451-I455 WeakPolarHBondContact O-CG1 3.34Å; L451-I455 PolarHBondContact O-N 2.88Å; S452-I455 PolarHBondContact O-N 3.32Å; S452-I455 VanDerWaalsContact O-N 3.16Å; L453-I455 VanDerWaalsContact C-N 3.35Å; L453-I455 PolarHBondContact O-N 3.38Å; I455-L458 PolarHBondContact O-N 2.91Å; I455-G459 PolarHBondContact O-N 3.43Å; I455-G460 WeakPolarHBondContact O-CA 3.41Å; I455-G460 PolarHBondContact O-N 2.86Å; I455-I464 HydrophobicContact CG2-CD1 4.29Å; I455-F487 HydrophobicContact CB-CE1 4.47Å; I455-F487 HydrophobicContact CB-CZ 4.03Å; I455-F487 HydrophobicContact CD1-CZ 4.38Å; I455-F487 HydrophobicContact CG2-CE1 4.35Å; I455-F487 HydrophobicContact CG2-CZ 3.74Å |
| 456 | E | 96.4 | Very high | 95.9 | Very high | 111 Ų | 111 | 59.3 Ų | 59.3 | 52% | 0.519 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.6 | -48.2 | 175 | -170.5 | 179.4 | 169.9 | 0 | 0 | 111.8 | S452 L453 L454 L458 G459 L461 | S452-E456 PolarHBondContact O-N 3.5Å; L453-E456 WeakPolarHBondContact O-CB 3.35Å; L453-E456 PolarHBondContact O-N 3.04Å; L454-E456 VanDerWaalsContact C-N 3.3Å; L454-E456 PolarHBondContact O-N 3.5Å; E456-L458 PolarHBondContact O-N 3.24Å; E456-G459 WeakPolarHBondContact O-CA 3.45Å; E456-G459 PolarHBondContact O-N 3.23Å; E456-L461 HydrophobicContact CB-CB 4.49Å; E456-L461 HydrophobicContact CG-CD2 4.23Å |
| 457 | E | 96.7 | Very high | 96.1 | Very high | 160 Ų | 160 | 56.9 Ų | 56.9 | 75% | 0.748 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -59.6 | -33.8 | 176.9 | -74.6 | 179.5 | 173.7 | 0 | 0 | 112.7 | L453 L454 G459 | L453-E457 WeakPolarHBondContact O-CG 3.4Å; L453-E457 PolarHBondContact O-N 3.41Å; L454-E457 PolarHBondContact O-N 2.9Å; E457-G459 PolarHBondContact O-N 3.4Å |
| 458 | L | 96.2 | Very high | 96.1 | Very high | 49 Ų | 49 | 58.6 Ų | 58.6 | 26% | 0.257 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 4.6 | 175.5 | -63 | 174 | 0 | 0 | 0 | 113.2 | L413 E414 I417 L454 I455 E456 G460 | L413-L458 HydrophobicContact CD2-CD1 4.22Å; L413-L458 HydrophobicContact CG-CD1 4.14Å; E414-L458 HydrophobicContact CB-CD1 3.98Å; E414-L458 HydrophobicContact CB-CD2 4.01Å; E414-L458 HydrophobicContact CG-CD2 3.98Å; I417-L458 HydrophobicContact CD1-CB 3.97Å; I417-L458 HydrophobicContact CD1-CD1 4.15Å; L454-L458 HydrophobicContact CD1-CD1 3.92Å; L454-L458 HydrophobicContact CD1-CG 4.1Å; L454-L458 HydrophobicContact CG-CD1 3.94Å; L454-L458 HydrophobicContact CG-CG 4.48Å; L454-L458 WeakPolarHBondContact O-CB 3.29Å; L454-L458 WeakPolarHBondContact O-CG 3.45Å; L454-L458 PolarHBondContact O-N 3.46Å; I455-L458 PolarHBondContact O-N 2.91Å; E456-L458 PolarHBondContact O-N 3.24Å; L458-G460 PolarHBondContact O-N 3.48Å |
| 459 | G | 96.1 | Very high | 96.1 | Very high | 28 Ų | 28 | 63.6 Ų | 63.6 | 29% | 0.289 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 18.7 | -178 | 0 | 0 | 0 | 0 | 0 | 113.7 | I455 E456 E457 Q463 | I455-G459 PolarHBondContact O-N 3.43Å; E456-G459 WeakPolarHBondContact O-CA 3.45Å; E456-G459 PolarHBondContact O-N 3.23Å; E457-G459 PolarHBondContact O-N 3.4Å; G459-Q463 WeakPolarHBondContact O-CG 3.2Å |
| 460 | G | 96.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -76 | -33.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | I455 L458 Q463 I464 | I455-G460 WeakPolarHBondContact O-CA 3.41Å; I455-G460 PolarHBondContact O-N 2.86Å; L458-G460 PolarHBondContact O-N 3.48Å; G460-Q463 PolarHBondContact O-N 3.31Å; G460-I464 WeakPolarHBondContact O-CD1 3.46Å; G460-I464 WeakPolarHBondContact O-CG1 2.94Å; G460-I464 PolarHBondContact O-N 3.43Å |
| 461 | L | 96.3 | Very high | 96.2 | Very high | 27 Ų | 27 | 64.6 Ų | 64.6 | 14% | 0.141 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.5 | -52.7 | 178.3 | 178.7 | 55.5 | 0 | 0 | 0 | 111.3 | E456 Q463 I464 E465 I483 F487 | E456-L461 HydrophobicContact CB-CB 4.49Å; E456-L461 HydrophobicContact CG-CD2 4.23Å; L461-Q463 VanDerWaalsContact C-N 3.27Å; L461-Q463 PolarHBondContact O-N 3.29Å; L461-I464 PolarHBondContact O-N 3.36Å; L461-I464 VanDerWaalsContact O-N 3.08Å; L461-E465 HydrophobicContact CD1-CG 4.27Å; L461-E465 WeakPolarHBondContact O-CG 3.47Å; L461-E465 PolarHBondContact O-N 2.81Å; L461-I483 HydrophobicContact CD1-CG1 4.41Å; L461-F487 HydrophobicContact CB-CE1 4.34Å; L461-F487 HydrophobicContact CD1-CB 4.02Å; L461-F487 HydrophobicContact CD1-CD1 3.64Å; L461-F487 HydrophobicContact CD1-CD2 4.09Å; L461-F487 HydrophobicContact CD1-CE1 4.03Å; L461-F487 HydrophobicContact CD1-CE2 4.44Å; L461-F487 HydrophobicContact CD1-CG 3.65Å; L461-F487 HydrophobicContact CD1-CZ 4.41Å; L461-F487 HydrophobicContact CD2-CD1 3.91Å; L461-F487 HydrophobicContact CD2-CE1 4.37Å; L461-F487 HydrophobicContact CG-CD1 4.26Å; L461-F487 HydrophobicContact CG-CE1 4.48Å |
| 462 | E | 96.1 | Very high | 96.1 | Very high | 133 Ų | 133 | 67.3 Ų | 67.3 | 62% | 0.621 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -55.4 | -43.1 | 176.6 | -176.3 | -178.8 | -175.1 | 0 | 0 | 111.5 | I464 E465 M466 | E462-I464 PolarHBondContact O-N 2.91Å; E462-E465 PolarHBondContact O-N 2.89Å; E462-M466 WeakPolarHBondContact O-CG 3.25Å; E462-M466 PolarHBondContact O-N 3.49Å |
| 463 | Q | 96.5 | Very high | 96 | Very high | 22 Ų | 22 | 68.9 Ų | 68.9 | 10% | 0.103 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.7 | -38.7 | 178.3 | -69.9 | -173.2 | 54.1 | 0 | 0 | 112.7 | I417 L420 G459 G460 L461 M466 L467 | I417-Q463 PolarHBondContact O-OE1 2.94Å; L420-Q463 HydrophobicContact CB-CB 4.39Å; L420-Q463 HydrophobicContact CD1-CB 4.1Å; G459-Q463 WeakPolarHBondContact O-CG 3.2Å; G460-Q463 PolarHBondContact O-N 3.31Å; L461-Q463 VanDerWaalsContact C-N 3.27Å; L461-Q463 PolarHBondContact O-N 3.29Å; Q463-M466 PolarHBondContact O-N 2.89Å; Q463-L467 WeakPolarHBondContact O-CG 3.3Å; Q463-L467 PolarHBondContact O-N 2.91Å |
| 464 | I | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -69.5 | -38.3 | 176.6 | -63.3 | 158.8 | 0 | 0 | 0 | 110.2 | L420 L432 I435 I455 G460 L461 E462 L467 A479 L482 I483 | L420-I464 HydrophobicContact CD1-CG1 3.88Å; L432-I464 HydrophobicContact CD2-CG1 4.22Å; L432-I464 HydrophobicContact CD2-CG2 4.45Å; I435-I464 HydrophobicContact CD1-CD1 4.46Å; I455-I464 HydrophobicContact CG2-CD1 4.29Å; G460-I464 WeakPolarHBondContact O-CD1 3.46Å; G460-I464 WeakPolarHBondContact O-CG1 2.94Å; G460-I464 PolarHBondContact O-N 3.43Å; L461-I464 PolarHBondContact O-N 3.36Å; L461-I464 VanDerWaalsContact O-N 3.08Å; E462-I464 PolarHBondContact O-N 2.91Å; I464-L467 WeakPolarHBondContact O-CB 3.39Å; I464-L467 PolarHBondContact O-N 3.42Å; I464-L467 VanDerWaalsContact O-N 3.14Å; I464-A479 HydrophobicContact CG2-CB 3.96Å; I464-L482 HydrophobicContact CD1-CD2 3.84Å; I464-L482 HydrophobicContact CG1-CD2 4.49Å; I464-L482 HydrophobicContact CG2-CD2 4.2Å; I464-I483 HydrophobicContact CG2-CD1 3.83Å; I464-I483 HydrophobicContact CG2-CG1 3.81Å |
| 465 | E | 96.3 | Very high | 95.9 | Very high | 91 Ų | 91 | 68.3 Ų | 68.3 | 43% | 0.425 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 174.3 | -73.7 | 179.4 | 165.7 | 0 | 0 | 111.8 | L461 E462 L467 Q468 I483 | L461-E465 HydrophobicContact CD1-CG 4.27Å; L461-E465 WeakPolarHBondContact O-CG 3.47Å; L461-E465 PolarHBondContact O-N 2.81Å; E462-E465 PolarHBondContact O-N 2.89Å; E465-L467 PolarHBondContact O-N 3.43Å; E465-Q468 VanDerWaalsContact O-CB 3.25Å; E465-Q468 WeakPolarHBondContact O-CB 3.47Å; E465-Q468 PolarHBondContact O-N 3.31Å; E465-I483 HydrophobicContact CB-CD1 4.29Å; E465-I483 HydrophobicContact CG-CD1 3.66Å |
| 466 | M | 95.9 | Very high | 95.8 | Very high | 124 Ų | 124 | 72.8 Ų | 72.8 | 61% | 0.611 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -56.6 | -34.2 | 174.8 | -72.3 | 179.7 | 72.1 | 0 | 0 | 112.4 | E462 Q463 Q468 N469 | E462-M466 WeakPolarHBondContact O-CG 3.25Å; E462-M466 PolarHBondContact O-N 3.49Å; Q463-M466 PolarHBondContact O-N 2.89Å; M466-Q468 PolarHBondContact O-N 3.33Å; M466-N469 PolarHBondContact O-N 2.92Å; M466-N469 VanDerWaalsContact O-N 3.08Å |
| 467 | L | 96.4 | Very high | 95.8 | Very high | 13 Ų | 13 | 71.7 Ų | 71.7 | 7% | 0.068 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -69.5 | -14.6 | 177.6 | -65.8 | 174.6 | 0 | 0 | 0 | 113.4 | L420 I428 L432 Q463 I464 E465 N469 H470 V475 A479 | L420-L467 HydrophobicContact CB-CD1 4.41Å; L420-L467 HydrophobicContact CD2-CD1 3.9Å; I428-L467 HydrophobicContact CD1-CD2 4.21Å; I428-L467 HydrophobicContact CG2-CD1 3.58Å; I428-L467 HydrophobicContact CG2-CD2 4.08Å; I428-L467 HydrophobicContact CG2-CG 4.48Å; L432-L467 HydrophobicContact CD1-CD1 4.27Å; L432-L467 HydrophobicContact CD2-CD1 4.26Å; Q463-L467 WeakPolarHBondContact O-CG 3.3Å; Q463-L467 PolarHBondContact O-N 2.91Å; I464-L467 WeakPolarHBondContact O-CB 3.39Å; I464-L467 PolarHBondContact O-N 3.42Å; I464-L467 VanDerWaalsContact O-N 3.14Å; E465-L467 PolarHBondContact O-N 3.43Å; L467-N469 PolarHBondContact O-N 3.28Å; L467-H470 HydrophobicContact CD2-CB 4.47Å; L467-H470 WeakPolarHBondContact O-CB 3.42Å; L467-H470 PolarHBondContact O-N 2.84Å; L467-H470 VanDerWaalsContact O-N 3.08Å; L467-V475 HydrophobicContact CB-CG1 4.16Å; L467-V475 HydrophobicContact CD1-CG1 4.48Å; L467-V475 HydrophobicContact CD2-CG1 3.99Å; L467-V475 HydrophobicContact CG-CG1 4.44Å; L467-A479 HydrophobicContact CB-CB 3.74Å |
| 468 | Q | 95.1 | Very high | 95.8 | Very high | 59 Ų | 59 | 65.5 Ų | 65.5 | 28% | 0.276 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -10.1 | 169.4 | -61.9 | -177.9 | -43.4 | 0 | 0 | 112.9 | E465 M466 Y476 A479 I483 | E465-Q468 VanDerWaalsContact O-CB 3.25Å; E465-Q468 WeakPolarHBondContact O-CB 3.47Å; E465-Q468 PolarHBondContact O-N 3.31Å; M466-Q468 PolarHBondContact O-N 3.33Å; Q468-Y476 HydrophobicContact CB-CD2 4.23Å; Q468-Y476 HydrophobicContact CB-CE2 4.29Å; Q468-Y476 WeakPolarHBondContact O-CD2 3.43Å; Q468-Y476 WeakPolarHBondContact O-CE2 3.33Å; Q468-A479 HydrophobicContact CG-CB 4.37Å; Q468-I483 HydrophobicContact CG-CD1 4.02Å |
| 469 | N | 94.1 | Very high | 95.9 | Very high | 147 Ų | 147 | 63.2 Ų | 63.2 | 79% | 0.786 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | 8.9 | 172.3 | -62.7 | -55.9 | 0 | 0 | 0 | 112.8 | M466 L467 | M466-N469 PolarHBondContact O-N 2.92Å; M466-N469 VanDerWaalsContact O-N 3.08Å; L467-N469 PolarHBondContact O-N 3.28Å |
| 470 | H | 95.7 | Very high | 95.9 | Very high | 52 Ų | 52 | 64.5 Ų | 64.5 | 24% | 0.241 | 33% | 0.328 | C | S | . | . | trans | -71.9 | 136.7 | -175.1 | -169 | -79.1 | 0 | 0 | 0 | 112.2 | L467 N472 V475 | L467-H470 HydrophobicContact CD2-CB 4.47Å; L467-H470 WeakPolarHBondContact O-CB 3.42Å; L467-H470 PolarHBondContact O-N 2.84Å; L467-H470 VanDerWaalsContact O-N 3.08Å; H470-N472 VanDerWaalsContact CE1-CB 3.47Å; H470-N472 WeakPolarHBondContact CE1-CB 3.28Å; H470-N472 VanDerWaalsContact ND1-CB 3.32Å; H470-N472 WeakPolarHBondContact ND1-CB 3.22Å; H470-N472 PolarHBondContact ND1-N 2.76Å; H470-N472 PolarHBondContact O-N 3.28Å; H470-V475 HydrophobicContact CB-CB 4.27Å; H470-V475 HydrophobicContact CB-CG1 3.84Å | ||
| 471 | E | 94.6 | Very high | 95.8 | Very high | 200 Ų | 200 | 68.3 Ų | 68.3 | 94% | 0.935 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -59.8 | -33 | -176.6 | -61.8 | -178.8 | 174.9 | 0 | 0 | 113.5 | G473 | E471-G473 PolarHBondContact O-N 3.34Š|
| 472 | N | 94.1 | Very high | 95.8 | Very high | 58 Ų | 58 | 67.3 Ų | 67.3 | 31% | 0.31 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -74.5 | 108.5 | 173.5 | -170.6 | -47.4 | 0 | 0 | 0 | 110.9 | A425 H470 I474 V475 Y476 | A425-N472 HydrophobicContact CB-CB 4.23Å; H470-N472 VanDerWaalsContact CE1-CB 3.47Å; H470-N472 WeakPolarHBondContact CE1-CB 3.28Å; H470-N472 VanDerWaalsContact ND1-CB 3.32Å; H470-N472 WeakPolarHBondContact ND1-CB 3.22Å; H470-N472 PolarHBondContact ND1-N 2.76Å; H470-N472 PolarHBondContact O-N 3.28Å; N472-I474 PolarHBondContact O-N 2.74Å; N472-I474 VanDerWaalsContact O-N 3.07Å; N472-I474 WeakPolarHBondContact OD1-CB 3.32Å; N472-I474 PolarHBondContact OD1-N 3.47Å; N472-V475 HydrophobicContact CB-CB 4.24Å; N472-V475 HydrophobicContact CB-CG2 3.95Å; N472-V475 WeakPolarHBondContact O-CB 3.32Å; N472-V475 PolarHBondContact O-N 3.38Å; N472-V475 PolarHBondContact OD1-N 2.8Å; N472-Y476 PolarHBondContact O-N 3.25Å; N472-Y476 VanDerWaalsContact O-N 3.07Å |
| 473 | G | 94.4 | Very high | 95.8 | Very high | 48 Ų | 48 | 61.7 Ų | 61.7 | 50% | 0.495 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.5 | -19.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | E471 Q477 | E471-G473 PolarHBondContact O-N 3.34Å; G473-Q477 WeakPolarHBondContact O-CB 3.2Å; G473-Q477 PolarHBondContact O-N 2.93Å; G473-Q477 VanDerWaalsContact O-N 3.14Å |
| 474 | I | 95.8 | Very high | 95.8 | Very high | 113 Ų | 113 | 65.9 Ų | 65.9 | 58% | 0.579 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -77 | -40.3 | 174.2 | -53.4 | 176.9 | 0 | 0 | 0 | 110.1 | L429 N472 Q477 A478 | L429-I474 HydrophobicContact CD1-CB 4.33Å; L429-I474 HydrophobicContact CD1-CG2 3.87Å; L429-I474 HydrophobicContact CD2-CB 4.45Å; L429-I474 HydrophobicContact CD2-CG2 3.78Å; N472-I474 PolarHBondContact O-N 2.74Å; N472-I474 VanDerWaalsContact O-N 3.07Å; N472-I474 WeakPolarHBondContact OD1-CB 3.32Å; N472-I474 PolarHBondContact OD1-N 3.47Å; I474-Q477 PolarHBondContact O-N 3.1Å; I474-A478 WeakPolarHBondContact O-CB 3.23Å; I474-A478 PolarHBondContact O-N 3.26Å |
| 475 | V | 96.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.4 | -48.9 | 175.2 | 174 | 0 | 0 | 0 | 0 | 109.7 | A425 I428 L429 L467 H470 N472 Q477 A478 A479 | A425-V475 HydrophobicContact CB-CG2 3.9Å; I428-V475 HydrophobicContact CG2-CG1 3.71Å; I428-V475 HydrophobicContact CG2-CG2 4.43Å; L429-V475 HydrophobicContact CD1-CG2 4.38Å; L429-V475 HydrophobicContact CD2-CB 4.49Å; L429-V475 HydrophobicContact CD2-CG2 3.99Å; L429-V475 HydrophobicContact CG-CG2 3.87Å; L467-V475 HydrophobicContact CB-CG1 4.16Å; L467-V475 HydrophobicContact CD1-CG1 4.48Å; L467-V475 HydrophobicContact CD2-CG1 3.99Å; L467-V475 HydrophobicContact CG-CG1 4.44Å; H470-V475 HydrophobicContact CB-CB 4.27Å; H470-V475 HydrophobicContact CB-CG1 3.84Å; N472-V475 HydrophobicContact CB-CB 4.24Å; N472-V475 HydrophobicContact CB-CG2 3.95Å; N472-V475 WeakPolarHBondContact O-CB 3.32Å; N472-V475 PolarHBondContact O-N 3.38Å; N472-V475 PolarHBondContact OD1-N 2.8Å; V475-Q477 PolarHBondContact O-N 2.89Å; V475-A478 PolarHBondContact O-N 3.12Å; V475-A479 PolarHBondContact O-N 3.42Å |
| 476 | Y | 96.2 | Very high | 95.6 | Very high | 93 Ų | 93 | 68.2 Ų | 68.2 | 37% | 0.365 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -48.3 | -55.8 | 172.8 | 161.4 | -107.6 | 0 | 0 | 0 | 111.9 | Q468 N472 A478 A479 H480 | Q468-Y476 HydrophobicContact CB-CD2 4.23Å; Q468-Y476 HydrophobicContact CB-CE2 4.29Å; Q468-Y476 WeakPolarHBondContact O-CD2 3.43Å; Q468-Y476 WeakPolarHBondContact O-CE2 3.33Å; N472-Y476 PolarHBondContact O-N 3.25Å; N472-Y476 VanDerWaalsContact O-N 3.07Å; Y476-A478 VanDerWaalsContact C-N 3.34Å; Y476-A478 PolarHBondContact O-N 3.41Å; Y476-A479 PolarHBondContact O-N 3.45Å; Y476-H480 WeakPolarHBondContact O-CB 3.08Å; Y476-H480 PolarHBondContact O-N 3.13Å |
| 477 | Q | 96.6 | Very high | 95.4 | Very high | 88 Ų | 88 | 63.8 Ų | 63.8 | 41% | 0.411 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | -176 | -170.6 | 69.1 | 57.9 | 0 | 0 | 111.7 | G473 I474 V475 A479 H480 D481 | G473-Q477 WeakPolarHBondContact O-CB 3.2Å; G473-Q477 PolarHBondContact O-N 2.93Å; G473-Q477 VanDerWaalsContact O-N 3.14Å; I474-Q477 PolarHBondContact O-N 3.1Å; V475-Q477 PolarHBondContact O-N 2.89Å; Q477-A479 PolarHBondContact O-N 2.93Å; Q477-H480 PolarHBondContact O-N 3.27Å; Q477-D481 PolarHBondContact NE2-OD1 3.38Å; Q477-D481 WeakPolarHBondContact O-CB 3.29Å; Q477-D481 PolarHBondContact O-N 2.93Å |
| 478 | A | 96.3 | Very high | 94.8 | Very high | 31 Ų | 31 | 68.2 Ų | 68.2 | 26% | 0.256 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L429 L432 I474 V475 Y476 L482 | L429-A478 HydrophobicContact CD2-CB 3.96Å; L432-A478 HydrophobicContact CD1-CB 3.83Å; I474-A478 WeakPolarHBondContact O-CB 3.23Å; I474-A478 PolarHBondContact O-N 3.26Å; V475-A478 PolarHBondContact O-N 3.12Å; Y476-A478 VanDerWaalsContact C-N 3.34Å; Y476-A478 PolarHBondContact O-N 3.41Å; A478-L482 WeakPolarHBondContact O-CB 3.43Å; A478-L482 PolarHBondContact O-N 3.43Å |
| 479 | A | 97.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.5 | -43.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L432 I464 L467 Q468 V475 Y476 Q477 L482 I483 | L432-A479 HydrophobicContact CD1-CB 4.36Å; I464-A479 HydrophobicContact CG2-CB 3.96Å; L467-A479 HydrophobicContact CB-CB 3.74Å; Q468-A479 HydrophobicContact CG-CB 4.37Å; V475-A479 PolarHBondContact O-N 3.42Å; Y476-A479 PolarHBondContact O-N 3.45Å; Q477-A479 PolarHBondContact O-N 2.93Å; A479-L482 PolarHBondContact O-N 3Å; A479-I483 PolarHBondContact O-N 3.07Å |
| 480 | H | 96.1 | Very high | 91.2 | Very high | 55 Ų | 55 | 69 Ų | 69 | 26% | 0.255 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.1 | -50.4 | 176.1 | -178.7 | -74.5 | 0 | 0 | 0 | 112.4 | Y476 Q477 L482 I483 E484 | Y476-H480 WeakPolarHBondContact O-CB 3.08Å; Y476-H480 PolarHBondContact O-N 3.13Å; Q477-H480 PolarHBondContact O-N 3.27Å; H480-L482 PolarHBondContact O-N 2.97Å; H480-I483 PolarHBondContact O-N 3.47Å; H480-E484 IonicContact CE1-OE2 2.78Å; H480-E484 PolarHBondContact CE1-OE2 3.45Å; H480-E484 VanDerWaalsContact CE1-OE2 3.25Å; H480-E484 IonicContact ND1-OE2 3.75Å; H480-E484 PolarHBondContact ND1-OE2 3.24Å; H480-E484 WeakPolarHBondContact O-CB 3.37Å; H480-E484 PolarHBondContact O-N 2.72Å |
| 481 | D | 95.8 | Very high | 88.8 | Confident | 81 Ų | 81 | 73.9 Ų | 73.9 | 43% | 0.433 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.5 | -34 | 179.8 | -68.4 | -7.2 | 0 | 0 | 0 | 111.7 | Q477 K485 | Q477-D481 PolarHBondContact NE2-OD1 3.38Å; Q477-D481 WeakPolarHBondContact O-CB 3.29Å; Q477-D481 PolarHBondContact O-N 2.93Å; D481-K485 VanDerWaalsContact O-CB 3.22Å; D481-K485 WeakPolarHBondContact O-CB 3.2Å; D481-K485 PolarHBondContact O-N 3.35Å |
| 482 | L | 96.1 | Very high | 86.3 | Confident | 6 Ų | 6 | 70.2 Ų | 70.2 | 3% | 0.031 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -71 | -45.5 | 179 | -165.2 | 76 | 0 | 0 | 0 | 111.6 | L432 I435 N436 F439 I464 A478 A479 H480 K485 Y486 | L432-L482 HydrophobicContact CD2-CD2 4.24Å; I435-L482 HydrophobicContact CB-CD2 4.45Å; I435-L482 HydrophobicContact CG2-CD2 3.86Å; N436-L482 HydrophobicContact CB-CD1 3.83Å; F439-L482 HydrophobicContact CD2-CD1 4.07Å; F439-L482 HydrophobicContact CE2-CD1 4.4Å; I464-L482 HydrophobicContact CD1-CD2 3.84Å; I464-L482 HydrophobicContact CG1-CD2 4.49Å; I464-L482 HydrophobicContact CG2-CD2 4.2Å; A478-L482 WeakPolarHBondContact O-CB 3.43Å; A478-L482 PolarHBondContact O-N 3.43Å; A479-L482 PolarHBondContact O-N 3Å; H480-L482 PolarHBondContact O-N 2.97Å; L482-K485 PolarHBondContact O-N 3.48Å; L482-Y486 HydrophobicContact CD1-CD2 3.77Å; L482-Y486 HydrophobicContact CD1-CE2 3.9Å; L482-Y486 HydrophobicContact CG-CD2 4.25Å; L482-Y486 WeakPolarHBondContact O-CD2 3.39Å; L482-Y486 PolarHBondContact O-N 2.89Å; L482-Y486 VanDerWaalsContact O-N 3.13Å |
| 483 | I | 96 | Very high | 83.6 | Confident | 14 Ų | 14 | 75.4 Ų | 75.4 | 7% | 0.072 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.2 | -51.3 | 176.6 | -70.8 | 164.8 | 0 | 0 | 0 | 110.5 | L461 I464 E465 Q468 A479 H480 K485 Y486 F487 N488 | L461-I483 HydrophobicContact CD1-CG1 4.41Å; I464-I483 HydrophobicContact CG2-CD1 3.83Å; I464-I483 HydrophobicContact CG2-CG1 3.81Å; E465-I483 HydrophobicContact CB-CD1 4.29Å; E465-I483 HydrophobicContact CG-CD1 3.66Å; Q468-I483 HydrophobicContact CG-CD1 4.02Å; A479-I483 PolarHBondContact O-N 3.07Å; H480-I483 PolarHBondContact O-N 3.47Å; I483-K485 PolarHBondContact O-N 3.44Å; I483-K485 VanDerWaalsContact O-N 3.14Å; I483-Y486 PolarHBondContact O-N 3.22Å; I483-F487 HydrophobicContact CG2-CB 4.39Å; I483-F487 PolarHBondContact O-N 3.14Å; I483-N488 PolarHBondContact O-N 2.84Å |
| 484 | E | 95.3 | Very high | 80.7 | Confident | 110 Ų | 110 | 81.4 Ų | 81.4 | 51% | 0.514 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -56.2 | -36.1 | -177.7 | -176.5 | 179.9 | -177.2 | 0 | 0 | 111.9 | H480 | H480-E484 IonicContact CE1-OE2 2.78Å; H480-E484 PolarHBondContact CE1-OE2 3.45Å; H480-E484 VanDerWaalsContact CE1-OE2 3.25Å; H480-E484 IonicContact ND1-OE2 3.75Å; H480-E484 PolarHBondContact ND1-OE2 3.24Å; H480-E484 WeakPolarHBondContact O-CB 3.37Å; H480-E484 PolarHBondContact O-N 2.72Å |
| 485 | K | 94.7 | Very high | 77.8 | Confident | 117 Ų | 117 | 81.8 Ų | 81.8 | 51% | 0.509 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -83.4 | -34.9 | -176.2 | -171.4 | 174.1 | 176.9 | -158.4 | 0 | 114.2 | E443 D481 L482 I483 | E443-K485 WeakPolarHBondContact OE1-CE 3.09Å; E443-K485 IonicContact OE1-NZ 3.25Å; E443-K485 PolarHBondContact OE1-NZ 3.18Å; E443-K485 IonicContact OE2-NZ 3.2Å; D481-K485 VanDerWaalsContact O-CB 3.22Å; D481-K485 WeakPolarHBondContact O-CB 3.2Å; D481-K485 PolarHBondContact O-N 3.35Å; L482-K485 PolarHBondContact O-N 3.48Å; I483-K485 PolarHBondContact O-N 3.44Å; I483-K485 VanDerWaalsContact O-N 3.14Å |
| 486 | Y | 94.6 | Very high | 74.7 | Confident | 24 Ų | 24 | 89.4 Ų | 89.4 | 9% | 0.094 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -122 | -11.5 | -165.4 | -62.7 | -62 | 0 | 0 | 0 | 115.7 | F439 E443 S452 L482 I483 | F439-Y486 HydrophobicContact CB-CD1 4.09Å; F439-Y486 HydrophobicContact CB-CD2 4.03Å; F439-Y486 HydrophobicContact CB-CE1 3.65Å; F439-Y486 HydrophobicContact CB-CE2 3.57Å; F439-Y486 HydrophobicContact CB-CG 4.26Å; F439-Y486 AromaticContact CD1-CD1 3.59Å; F439-Y486 HydrophobicContact CD1-CD1 3.59Å; F439-Y486 HydrophobicContact CD1-CD2 4.14Å; F439-Y486 AromaticContact CD1-CE1 3.99Å; F439-Y486 HydrophobicContact CD1-CE1 3.99Å; F439-Y486 HydrophobicContact CD1-CE2 4.49Å; F439-Y486 AromaticContact CD1-CG 3.67Å; F439-Y486 HydrophobicContact CD1-CG 3.67Å; F439-Y486 AromaticContact CD2-CD2 3.64Å; F439-Y486 HydrophobicContact CD2-CD2 3.64Å; F439-Y486 AromaticContact CD2-CE2 3.94Å; F439-Y486 HydrophobicContact CD2-CE2 3.94Å; F439-Y486 AromaticContact CD2-CG 3.98Å; F439-Y486 HydrophobicContact CD2-CG 3.98Å; F439-Y486 HydrophobicContact CE1-CD1 4.11Å; F439-Y486 AromaticContact CE1-CG 3.9Å; F439-Y486 HydrophobicContact CE1-CG 3.9Å; F439-Y486 HydrophobicContact CE2-CD2 4.04Å; F439-Y486 HydrophobicContact CE2-CG 4.16Å; F439-Y486 AromaticContact CG-CD1 3.86Å; F439-Y486 HydrophobicContact CG-CD1 3.86Å; F439-Y486 AromaticContact CG-CD2 3.69Å; F439-Y486 HydrophobicContact CG-CD2 3.69Å; F439-Y486 AromaticContact CG-CE1 3.95Å; F439-Y486 HydrophobicContact CG-CE1 3.95Å; F439-Y486 AromaticContact CG-CE2 3.78Å; F439-Y486 HydrophobicContact CG-CE2 3.78Å; F439-Y486 AromaticContact CG-CG 3.72Å; F439-Y486 HydrophobicContact CG-CG 3.72Å; F439-Y486 AromaticContact CG-CZ 3.91Å; F439-Y486 HydrophobicContact CZ-CD2 4.46Å; F439-Y486 HydrophobicContact CZ-CG 4.11Å; E443-Y486 HydrophobicContact CG-CE1 4.18Å; E443-Y486 WeakPolarHBondContact OE1-CE1 3.19Å; E443-Y486 PolarHBondContact OE1-OH 3.46Å; S452-Y486 PolarHBondContact OG-O 2.86Å; L482-Y486 HydrophobicContact CD1-CD2 3.77Å; L482-Y486 HydrophobicContact CD1-CE2 3.9Å; L482-Y486 HydrophobicContact CG-CD2 4.25Å; L482-Y486 WeakPolarHBondContact O-CD2 3.39Å; L482-Y486 PolarHBondContact O-N 2.89Å; L482-Y486 VanDerWaalsContact O-N 3.13Å; I483-Y486 PolarHBondContact O-N 3.22Å |
| 487 | F | 92.1 | Very high | 71.7 | Confident | 31 Ų | 31 | 91 Ų | 91 | 14% | 0.136 | 48% | 0.484 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.2 | -3.7 | -174.1 | -64.9 | -86 | 0 | 0 | 0 | 113.9 | F439 I455 L461 I483 D489 | F439-F487 AromaticContact CE2-CE2 3.88Å; F439-F487 HydrophobicContact CE2-CE2 3.88Å; F439-F487 HydrophobicContact CE2-CZ 4.18Å; F439-F487 AromaticContact CZ-CE2 3.6Å; F439-F487 HydrophobicContact CZ-CE2 3.6Å; F439-F487 AromaticContact CZ-CZ 3.61Å; F439-F487 HydrophobicContact CZ-CZ 3.61Å; I455-F487 HydrophobicContact CB-CE1 4.47Å; I455-F487 HydrophobicContact CB-CZ 4.03Å; I455-F487 HydrophobicContact CD1-CZ 4.38Å; I455-F487 HydrophobicContact CG2-CE1 4.35Å; I455-F487 HydrophobicContact CG2-CZ 3.74Å; L461-F487 HydrophobicContact CB-CE1 4.34Å; L461-F487 HydrophobicContact CD1-CB 4.02Å; L461-F487 HydrophobicContact CD1-CD1 3.64Å; L461-F487 HydrophobicContact CD1-CD2 4.09Å; L461-F487 HydrophobicContact CD1-CE1 4.03Å; L461-F487 HydrophobicContact CD1-CE2 4.44Å; L461-F487 HydrophobicContact CD1-CG 3.65Å; L461-F487 HydrophobicContact CD1-CZ 4.41Å; L461-F487 HydrophobicContact CD2-CD1 3.91Å; L461-F487 HydrophobicContact CD2-CE1 4.37Å; L461-F487 HydrophobicContact CG-CD1 4.26Å; L461-F487 HydrophobicContact CG-CE1 4.48Å; I483-F487 HydrophobicContact CG2-CB 4.39Å; I483-F487 PolarHBondContact O-N 3.14Å; F487-D489 PolarHBondContact O-N 2.96Å |
| 488 | N | 83.8 | Confident | 68.6 | Low | 106 Ų | 106 | 93.2 Ų | 93.2 | 57% | 0.567 | 50% | 0.499 | S | S | * | . | trans | -78.3 | 119.3 | 169.3 | -86 | -14.5 | 0 | 0 | 0 | 109.6 | I483 G490 | I483-N488 PolarHBondContact O-N 2.84Å; N488-G490 PolarHBondContact O-N 3.13Å | ||
| 489 | D | 60.8 | Low | 65.8 | Low | 162 Ų | 162 | 97 Ų | 97 | 87% | 0.866 | 52% | 0.523 | S | S | * | . | trans | -67.4 | 60.2 | 171.8 | -74.6 | -29.9 | 0 | 0 | 0 | 111.9 | F487 | F487-D489 PolarHBondContact O-N 2.96Š| ||
| 490 | G | 51.9 | Low | 62.8 | Low | 59 Ų | 59 | 103 Ų | 103 | 61% | 0.608 | 56% | 0.56 | S | S | * | * | trans | -93.1 | -3.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | N488 | N488-G490 PolarHBondContact O-N 3.13Š| ||
| 491 | D | 45.4 | Very low | 60.1 | Low | 155 Ų | 155 | 109.5 Ų | 109.5 | 83% | 0.829 | 59% | 0.591 | S | S | * | * | trans | -147.2 | 63 | 176.8 | -75 | -46.6 | 0 | 0 | 0 | 110.3 | E493 | D491-E493 PolarHBondContact O-N 3.27Å; D491-E493 VanDerWaalsContact O-N 3.11Å | ||
| 492 | V | 42.3 | Very low | 57.4 | Low | 124 Ų | 124 | 111.6 Ų | 111.6 | 75% | 0.752 | 61% | 0.607 | S | S | * | * | trans | -68.9 | 97.3 | 141.3 | -174.2 | 0 | 0 | 0 | 0 | 103.6 | E494 | V492-E494 VanDerWaalsContact C-N 3.29Å; V492-E494 PolarHBondContact O-N 3.2Å | ||
| 493 | E | 38.6 | Very low | 54.9 | Low | 167 Ų | 167 | 114.8 Ų | 114.8 | 78% | 0.78 | 64% | 0.641 | S | S | * | * | trans | -50.5 | 107.3 | 160.1 | -80.2 | -172.2 | 163.6 | 0 | 0 | 105.1 | D491 V495 | D491-E493 PolarHBondContact O-N 3.27Å; D491-E493 VanDerWaalsContact O-N 3.11Å; E493-V495 PolarHBondContact O-N 2.57Å | ||
| 494 | E | 32.1 | Very low | 52.1 | Low | 174 Ų | 174 | 123.2 Ų | 123.2 | 81% | 0.813 | 68% | 0.678 | S | S | * | * | trans | -50.7 | 103.5 | 162.5 | -81.2 | -175.6 | 159 | 0 | 0 | 104.8 | V492 Q496 | V492-E494 VanDerWaalsContact C-N 3.29Å; V492-E494 PolarHBondContact O-N 3.2Å; E494-Q496 PolarHBondContact O-N 3.48Å | ||
| 495 | V | 34.8 | Very low | 49.2 | Very low | 121 Ų | 121 | 127.2 Ų | 127.2 | 73% | 0.733 | 70% | 0.697 | S | S | * | * | trans | -57.8 | 97.9 | 166 | 177.9 | 0 | 0 | 0 | 0 | 103.8 | E493 V497 | E493-V495 PolarHBondContact O-N 2.57Å; V495-V497 HydrophobicContact CG1-CG2 4.34Å; V495-V497 WeakPolarHBondContact O-CG2 3.49Å; V495-V497 PolarHBondContact O-N 2.79Å | ||
| 496 | Q | 32.1 | Very low | 46.4 | Very low | 160 Ų | 160 | 131.5 Ų | 131.5 | 75% | 0.748 | 72% | 0.715 | S | S | * | * | trans | -60.8 | 99.1 | 165.4 | -81.3 | -170.7 | -14.2 | 0 | 0 | 105 | E494 D498 | E494-Q496 PolarHBondContact O-N 3.48Å; Q496-D498 PolarHBondContact O-N 3.42Å | ||
| 497 | V | 32.3 | Very low | 43.6 | Very low | 125 Ų | 125 | 140 Ų | 140 | 76% | 0.758 | 75% | 0.753 | S | S | * | * | trans | -71 | 82.9 | 171.2 | -166.4 | 0 | 0 | 0 | 0 | 105.7 | V495 S499 | V495-V497 HydrophobicContact CG1-CG2 4.34Å; V495-V497 WeakPolarHBondContact O-CG2 3.49Å; V495-V497 PolarHBondContact O-N 2.79Å; V497-S499 PolarHBondContact O-N 3.22Å | ||
| 498 | D | 32.3 | Very low | 40.7 | Very low | 136 Ų | 136 | 143 Ų | 143 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -69.8 | 103.9 | 168.1 | -108.7 | -10.9 | 0 | 0 | 0 | 107.2 | Q496 T500 | Q496-D498 PolarHBondContact O-N 3.42Å; D498-T500 PolarHBondContact O-N 2.99Å | ||
| 499 | S | 36.9 | Very low | 38.4 | Very low | 109 Ų | 109 | 143.3 Ų | 143.3 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | -62.8 | 95.7 | 174.7 | 54.4 | 0 | 0 | 0 | 0 | 109.7 | V497 | V497-S499 PolarHBondContact O-N 3.22Š| ||
| 500 | T | 34.1 | Very low | 37.5 | Very low | 127 Ų | 127 | 143.9 Ų | 143.9 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -133.7 | 126.6 | 157.4 | 47.6 | 0 | 0 | 0 | 0 | 110.7 | D498 T502 | D498-T500 PolarHBondContact O-N 2.99Å; T500-T502 PolarHBondContact O-N 2.9Å | ||
| 501 | Q | 41 | Very low | 37 | Very low | 191 Ų | 191 | 146.7 Ų | 146.7 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | trans | -62.8 | 114 | 174.8 | -70.1 | 173.9 | -15.4 | 0 | 0 | 109.5 | ||||
| 502 | T | 38.6 | Very low | 36.8 | Very low | 125 Ų | 125 | 147.9 Ų | 147.9 | 77% | 0.767 | 80% | 0.8 | S | S | * | * | trans | 165.3 | 131.2 | 131 | 36.3 | 0 | 0 | 0 | 0 | 108.6 | T500 | T500-T502 PolarHBondContact O-N 2.9Š| ||
| 503 | G | 43.6 | Very low | 36.8 | Very low | 74 Ų | 74 | 149.3 Ų | 149.3 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | trans | -69.8 | 158.3 | -164.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 504 | F | 36.2 | Very low | 37.5 | Very low | 190 Ų | 190 | 146.2 Ų | 146.2 | 83% | 0.833 | 78% | 0.78 | S | S | * | * | trans | -140.1 | 133.5 | 168 | -80.9 | -80.7 | 0 | 0 | 0 | 112.4 | ||||
| 505 | E | 34.3 | Very low | 38.1 | Very low | 195 Ų | 195 | 138.1 Ų | 138.1 | 91% | 0.911 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 135.7 | 163.9 | -89.7 | 177.3 | 145.3 | 0 | 0 | 111 | ||
| 506 | F | 36.9 | Very low | 38.8 | Very low | 206 Ų | 206 | 138.9 Ų | 138.9 | 90% | 0.904 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 122.4 | 168 | -84.4 | -92.8 | 0 | 0 | 0 | 110.5 | ||
| 507 | K | 34.7 | Very low | 39.8 | Very low | 204 Ų | 204 | 138.4 Ų | 138.4 | 89% | 0.887 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 116.7 | 154.9 | -84.6 | -174.2 | 176 | 178.2 | 0 | 108.5 | ||
| 508 | A | 33 | Very low | 40.2 | Very low | 92 Ų | 92 | 139.1 Ų | 139.1 | 76% | 0.76 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 139.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 509 | P | 34.6 | Very low | 40.6 | Very low | 113 Ų | 113 | 139.2 Ų | 139.2 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 137.2 | 166.9 | 29.3 | -29.9 | 0 | 0 | 0 | 110.5 | V511 | P509-V511 PolarHBondContact O-N 2.8Š|
| 510 | D | 40.9 | Very low | 40.8 | Very low | 175 Ų | 175 | 140.9 Ų | 140.9 | 94% | 0.936 | 73% | 0.73 | S | S | * | * | trans | -60.4 | 104.4 | 176.8 | -85.2 | -43.2 | 0 | 0 | 0 | 111.4 | ||||
| 511 | V | 41.5 | Very low | 41.2 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 72% | 0.715 | 73% | 0.728 | S | S | * | * | trans | -100.6 | 114.6 | 163.6 | -176.5 | 0 | 0 | 0 | 0 | 107.2 | P509 K513 | P509-V511 PolarHBondContact O-N 2.8Å; V511-K513 PolarHBondContact O-N 2.96Å | ||
| 512 | Q | 42.4 | Very low | 41.3 | Very low | 180 Ų | 180 | 138.6 Ų | 138.6 | 84% | 0.841 | 72% | 0.717 | S | S | * | * | trans | -61 | 107.8 | 172 | -100.1 | 175.4 | -21.9 | 0 | 0 | 109.8 | ||||
| 513 | K | 42 | Very low | 41.4 | Very low | 154 Ų | 154 | 139.5 Ų | 139.5 | 67% | 0.67 | 71% | 0.714 | S | S | * | * | trans | -67.8 | 135 | 176.5 | -61.5 | 173 | 176.2 | 176.9 | 0 | 109.7 | V511 | V511-K513 PolarHBondContact O-N 2.96Š| ||
| 514 | K | 53.2 | Low | 41.3 | Very low | 101 Ų | 101 | 144.2 Ų | 144.2 | 44% | 0.439 | 71% | 0.71 | S | S | . | * | trans | -123.7 | -30.7 | -178.5 | -72.9 | -169.3 | -175.5 | -179.2 | 0 | 114.8 | E402 E516 | E402-K514 IonicContact OE1-NZ 2.93Å; E402-K514 PolarHBondContact OE1-NZ 3.19Å; K514-E516 VanDerWaalsContact C-N 3.33Å; K514-E516 PolarHBondContact O-N 3.01Å; K514-E516 VanDerWaalsContact O-N 3.15Å | ||
| 515 | F | 44.3 | Very low | 41.7 | Very low | 4 Ų | 4 | 140.7 Ų | 140.7 | 2% | 0.018 | 70% | 0.701 | C | S | . | * | trans | -80.8 | 84.8 | 161.2 | -77.6 | -68.6 | 0 | 0 | 0 | 109.4 | V405 V408 A442 L445 E447 K450 F517 | V405-F515 HydrophobicContact CB-CD1 4.46Å; V405-F515 HydrophobicContact CB-CE1 3.98Å; V405-F515 HydrophobicContact CB-CZ 4.24Å; V405-F515 HydrophobicContact CG1-CD1 3.87Å; V405-F515 HydrophobicContact CG1-CE1 3.87Å; V405-F515 HydrophobicContact CG2-CD1 4.16Å; V405-F515 HydrophobicContact CG2-CD2 4.35Å; V405-F515 HydrophobicContact CG2-CE1 3.62Å; V405-F515 HydrophobicContact CG2-CE2 3.81Å; V405-F515 HydrophobicContact CG2-CZ 3.41Å; V405-F515 VanDerWaalsContact CG2-CZ 3.41Å; V408-F515 HydrophobicContact CB-CE1 4.46Å; A442-F515 HydrophobicContact CB-CE2 4.3Å; L445-F515 HydrophobicContact CD1-CD2 3.8Å; L445-F515 HydrophobicContact CD1-CE2 3.49Å; L445-F515 VanDerWaalsContact CD1-CE2 3.49Å; L445-F515 HydrophobicContact CD1-CZ 4.4Å; E447-F515 HydrophobicContact CB-CD2 3.62Å; E447-F515 HydrophobicContact CB-CE2 4.25Å; E447-F515 HydrophobicContact CG-CD2 4.17Å; E447-F515 WeakPolarHBondContact OE2-CB 3.49Å; E447-F515 WeakPolarHBondContact OE2-CD2 3.25Å; E447-F515 PolarHBondContact OE2-N 3.29Å; E447-F515 VanDerWaalsContact OE2-N 3.08Å; K450-F515 HydrophobicContact CD-CB 4.22Å; K450-F515 PolarHBondContact NZ-O 3.29Å; F515-F517 HydrophobicContact CB-CE1 4.42Å; F515-F517 HydrophobicContact CB-CE2 3.86Å; F515-F517 HydrophobicContact CB-CZ 3.77Å; F515-F517 AromaticContact CD1-CE1 3.42Å; F515-F517 HydrophobicContact CD1-CE1 3.42Å; F515-F517 VanDerWaalsContact CD1-CE1 3.42Å; F515-F517 HydrophobicContact CD1-CE2 4.15Å; F515-F517 AromaticContact CD1-CZ 3.19Å; F515-F517 HydrophobicContact CD1-CZ 3.19Å; F515-F517 HydrophobicContact CE1-CE1 4.02Å; F515-F517 AromaticContact CE1-CZ 3.88Å; F515-F517 HydrophobicContact CE1-CZ 3.88Å; F515-F517 HydrophobicContact CG-CE1 4.29Å; F515-F517 HydrophobicContact CG-CE2 4.27Å; F515-F517 AromaticContact CG-CZ 3.7Å; F515-F517 HydrophobicContact CG-CZ 3.7Å | ||
| 516 | E | 49.5 | Very low | 42.3 | Very low | 137 Ų | 137 | 136.2 Ų | 136.2 | 64% | 0.64 | 68% | 0.683 | S | S | * | * | trans | -100.7 | 120.1 | 157 | -67.4 | -176.5 | 170.2 | 0 | 0 | 106.3 | Q409 K514 | Q409-E516 PolarHBondContact NE2-O 3.42Å; K514-E516 VanDerWaalsContact C-N 3.33Å; K514-E516 PolarHBondContact O-N 3.01Å; K514-E516 VanDerWaalsContact O-N 3.15Å | ||
| 517 | F | 54.6 | Low | 42.8 | Very low | 150 Ų | 150 | 129.8 Ų | 129.8 | 66% | 0.658 | 66% | 0.663 | S | S | * | * | trans | -102.9 | 0 | -178.1 | -62.2 | -64.7 | 0 | 0 | 0 | 110.5 | V408 K450 L454 F515 | V408-F517 HydrophobicContact CG1-CE1 3.85Å; K450-F517 HydrophobicContact CB-CE2 4.15Å; L454-F517 HydrophobicContact CD2-CD1 3.86Å; L454-F517 HydrophobicContact CD2-CE1 3.49Å; L454-F517 VanDerWaalsContact CD2-CE1 3.49Å; L454-F517 HydrophobicContact CD2-CE2 4.23Å; L454-F517 HydrophobicContact CD2-CG 4.38Å; L454-F517 HydrophobicContact CD2-CZ 3.69Å; F515-F517 HydrophobicContact CB-CE1 4.42Å; F515-F517 HydrophobicContact CB-CE2 3.86Å; F515-F517 HydrophobicContact CB-CZ 3.77Å; F515-F517 AromaticContact CD1-CE1 3.42Å; F515-F517 HydrophobicContact CD1-CE1 3.42Å; F515-F517 VanDerWaalsContact CD1-CE1 3.42Å; F515-F517 HydrophobicContact CD1-CE2 4.15Å; F515-F517 AromaticContact CD1-CZ 3.19Å; F515-F517 HydrophobicContact CD1-CZ 3.19Å; F515-F517 HydrophobicContact CE1-CE1 4.02Å; F515-F517 AromaticContact CE1-CZ 3.88Å; F515-F517 HydrophobicContact CE1-CZ 3.88Å; F515-F517 HydrophobicContact CG-CE1 4.29Å; F515-F517 HydrophobicContact CG-CE2 4.27Å; F515-F517 AromaticContact CG-CZ 3.7Å; F515-F517 HydrophobicContact CG-CZ 3.7Å |
Retrieved 517 of 517 residues in 762.7 ms
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