| 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 | 38.7 | Very low | 40 | Very low | 243 Ų | 243 | 133.3 Ų | 133.3 | 100% | 1.197 | 62% | 0.619 | S | S | * | * | 0 | 148 | 0 | -129.8 | 141.7 | 69.7 | 0 | 0 | 109.8 | R3 | M1-R3 PolarHBondContact O-N 3.29Š| |||
| 2 | N | 36.1 | Very low | 40.2 | Very low | 91 Ų | 91 | 132.9 Ų | 132.9 | 49% | 0.487 | 62% | 0.617 | S | S | . | * | trans | -69.3 | 109.2 | -141.4 | -145.2 | -32 | 0 | 0 | 0 | 116 | H4 L5 | N2-H4 PolarHBondContact O-N 3.15Å; N2-H4 VanDerWaalsContact O-N 3.13Å; N2-H4 WeakPolarHBondContact OD1-CB 3.37Å; N2-H4 PolarHBondContact OD1-CD2 3.15Å; N2-H4 VanDerWaalsContact OD1-CD2 3.22Å; N2-H4 PolarHBondContact OD1-N 3.1Å; N2-L5 HydrophobicContact CB-CD1 3.88Å; N2-L5 HydrophobicContact CB-CG 4.2Å; N2-L5 PolarHBondContact O-N 3.4Å | ||
| 3 | R | 42 | Very low | 39.9 | Very low | 221 Ų | 221 | 131.8 Ų | 131.8 | 83% | 0.834 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -62.5 | -16.6 | 174 | -71.9 | -178.2 | 175.6 | 178.9 | -0.3 | 113.2 | M1 | M1-R3 PolarHBondContact O-N 3.29Å |
| 4 | H | 39.6 | Very low | 40 | Very low | 148 Ų | 148 | 129.4 Ų | 129.4 | 69% | 0.685 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -78.8 | -24.8 | -179.4 | -60 | -77.8 | 0 | 0 | 0 | 113.4 | N2 V7 W8 | N2-H4 PolarHBondContact O-N 3.15Å; N2-H4 VanDerWaalsContact O-N 3.13Å; N2-H4 WeakPolarHBondContact OD1-CB 3.37Å; N2-H4 PolarHBondContact OD1-CD2 3.15Å; N2-H4 VanDerWaalsContact OD1-CD2 3.22Å; N2-H4 PolarHBondContact OD1-N 3.1Å; H4-V7 PolarHBondContact O-N 3.31Å; H4-W8 PolarHBondContact O-N 3.3Å; H4-W8 VanDerWaalsContact O-N 3.15Å |
| 5 | L | 44.6 | Very low | 40 | Very low | 93 Ų | 93 | 131.3 Ų | 131.3 | 49% | 0.487 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -67.6 | -40.1 | 176.5 | -79.4 | 164.8 | 0 | 0 | 0 | 111.8 | N2 V7 W8 L9 | N2-L5 HydrophobicContact CB-CD1 3.88Å; N2-L5 HydrophobicContact CB-CG 4.2Å; N2-L5 PolarHBondContact O-N 3.4Å; L5-V7 VanDerWaalsContact C-N 3.26Å; L5-V7 PolarHBondContact O-N 3.24Å; L5-W8 PolarHBondContact O-N 3.4Å; L5-L9 WeakPolarHBondContact O-CG 3.36Å; L5-L9 PolarHBondContact O-N 3.23Å |
| 6 | C | 39.3 | Very low | 39.8 | Very low | 79 Ų | 79 | 132.6 Ų | 132.6 | 53% | 0.534 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -67 | -24.8 | 175.5 | -65.3 | 0 | 0 | 0 | 0 | 113.1 | F10 | C6-F10 WeakPolarHBondContact O-CD2 3.26Å |
| 7 | V | 37.3 | Very low | 39.2 | Very low | 73 Ų | 73 | 128.2 Ų | 128.2 | 44% | 0.442 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -82.1 | -33.2 | 176.9 | 177.7 | 0 | 0 | 0 | 0 | 110.9 | H4 L5 R11 | H4-V7 PolarHBondContact O-N 3.31Å; L5-V7 VanDerWaalsContact C-N 3.26Å; L5-V7 PolarHBondContact O-N 3.24Å; V7-R11 HydrophobicContact CG1-CG 4.05Å; V7-R11 WeakPolarHBondContact O-CB 3.37Å; V7-R11 PolarHBondContact O-N 3.45Å |
| 8 | W | 41.2 | Very low | 39.3 | Very low | 153 Ų | 153 | 132.7 Ų | 132.7 | 58% | 0.58 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -69.5 | -40.2 | -179.1 | -153.3 | 82.2 | 0 | 0 | 0 | 112.6 | H4 L5 F10 | H4-W8 PolarHBondContact O-N 3.3Å; H4-W8 VanDerWaalsContact O-N 3.15Å; L5-W8 PolarHBondContact O-N 3.4Å; W8-F10 PolarHBondContact O-N 3.22Å; W8-F10 VanDerWaalsContact O-N 3.08Å |
| 9 | L | 44.4 | Very low | 39.1 | Very low | 88 Ų | 88 | 133.7 Ų | 133.7 | 46% | 0.461 | 67% | 0.669 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.2 | -19 | 179.2 | -69.9 | 171.9 | 0 | 0 | 0 | 114.5 | L5 L116 | L5-L9 WeakPolarHBondContact O-CG 3.36Å; L5-L9 PolarHBondContact O-N 3.23Å; L9-L116 HydrophobicContact CD2-CD2 3.78Å |
| 10 | F | 41.3 | Very low | 39.2 | Very low | 85 Ų | 85 | 134.5 Ų | 134.5 | 37% | 0.373 | 67% | 0.67 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -124.7 | 1 | -173 | -62.1 | -81.1 | 0 | 0 | 0 | 115.1 | C6 W8 H12 L50 L53 W57 | C6-F10 WeakPolarHBondContact O-CD2 3.26Å; W8-F10 PolarHBondContact O-N 3.22Å; W8-F10 VanDerWaalsContact O-N 3.08Å; F10-H12 PolarHBondContact O-N 2.91Å; F10-L50 HydrophobicContact CD1-CD2 3.73Å; F10-L50 HydrophobicContact CE1-CD2 3.55Å; F10-L53 HydrophobicContact CE1-CD1 4.14Å; F10-L53 HydrophobicContact CZ-CD1 3.87Å; F10-W57 HydrophobicContact CD2-CH2 4.43Å; F10-W57 HydrophobicContact CD2-CZ2 4.43Å; F10-W57 HydrophobicContact CE2-CZ2 4.1Å; F10-W57 HydrophobicContact CZ-CZ2 4.5Å |
| 11 | R | 35.9 | Very low | 38.8 | Very low | 192 Ų | 192 | 132.9 Ų | 132.9 | 73% | 0.725 | 67% | 0.671 | S | S | * | * | trans | -86.4 | 11.2 | -175.1 | -105.1 | -162.5 | -179.5 | -160.3 | 1.1 | 116.9 | V7 P13 | V7-R11 HydrophobicContact CG1-CG 4.05Å; V7-R11 WeakPolarHBondContact O-CB 3.37Å; V7-R11 PolarHBondContact O-N 3.45Å; R11-P13 VanDerWaalsContact C-CD 3.43Å; R11-P13 VanDerWaalsContact O-CD 3.26Å; R11-P13 WeakPolarHBondContact O-CD 3.37Å | ||
| 12 | H | 42 | Very low | 38.9 | Very low | 129 Ų | 129 | 129.5 Ų | 129.5 | 60% | 0.597 | 65% | 0.652 | S | S | * | * | trans | -114.3 | 82.5 | 172.2 | -67.3 | -72.7 | 0 | 0 | 0 | 113.3 | F10 S14 | F10-H12 PolarHBondContact O-N 2.91Å; H12-S14 VanDerWaalsContact C-N 3.34Å | ||
| 13 | P | 37 | Very low | 38.7 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 77% | 0.773 | 67% | 0.666 | S | S | * | * | trans | -80.4 | -7 | 165.1 | -9.5 | 26.6 | 0 | 0 | 0 | 114.2 | R11 L15 | R11-P13 VanDerWaalsContact C-CD 3.43Å; R11-P13 VanDerWaalsContact O-CD 3.26Å; R11-P13 WeakPolarHBondContact O-CD 3.37Å; P13-L15 PolarHBondContact O-N 2.7Å | ||
| 14 | S | 41.4 | Very low | 38.3 | Very low | 97 Ų | 97 | 130.8 Ų | 130.8 | 68% | 0.678 | 67% | 0.667 | S | S | * | * | trans | -95.2 | 80.9 | -169.5 | 60.9 | 0 | 0 | 0 | 0 | 112.8 | H12 | H12-S14 VanDerWaalsContact C-N 3.34Š| ||
| 15 | L | 38.6 | Very low | 38.2 | Very low | 159 Ų | 159 | 129.7 Ų | 129.7 | 83% | 0.832 | 67% | 0.666 | S | S | * | * | trans | -129.4 | 49.7 | 150.5 | -93.3 | 162.7 | 0 | 0 | 0 | 108.8 | P13 | P13-L15 PolarHBondContact O-N 2.7Š| ||
| 16 | N | 37.8 | Very low | 37.7 | Very low | 152 Ų | 152 | 134.3 Ų | 134.3 | 81% | 0.813 | 69% | 0.685 | S | S | * | * | trans | -101.8 | 80 | 152.5 | -161.7 | 26.7 | 0 | 0 | 0 | 106.5 | ||||
| 17 | G | 30.2 | Very low | 37.2 | Very low | 58 Ų | 58 | 136.4 Ų | 136.4 | 60% | 0.598 | 70% | 0.7 | S | S | * | * | trans | -133.2 | 84.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | L19 | G17-L19 PolarHBondContact O-N 3.4Å; G17-L19 VanDerWaalsContact O-N 3.1Å | ||
| 18 | Y | 40.9 | Very low | 37.1 | Very low | 209 Ų | 209 | 137.5 Ų | 137.5 | 82% | 0.82 | 70% | 0.701 | S | S | * | * | trans | -55.8 | 109.3 | 163.8 | -112.9 | -102.1 | 0 | 0 | 0 | 107.6 | ||||
| 19 | L | 35.5 | Very low | 36.8 | Very low | 152 Ų | 152 | 137.5 Ų | 137.5 | 80% | 0.796 | 71% | 0.707 | S | S | * | * | trans | -134.7 | 96.1 | 161.6 | -111.5 | 139.2 | 0 | 0 | 0 | 107.6 | G17 C21 | G17-L19 PolarHBondContact O-N 3.4Å; G17-L19 VanDerWaalsContact O-N 3.1Å; L19-C21 PolarHBondContact O-N 3.29Å; L19-C21 VanDerWaalsContact O-N 3.15Å | ||
| 20 | Q | 40.3 | Very low | 36.3 | Very low | 149 Ų | 149 | 143 Ų | 143 | 70% | 0.696 | 73% | 0.728 | S | S | * | * | trans | -66.5 | 96.8 | 173.4 | -177.3 | 168.4 | -6 | 0 | 0 | 108.3 | ||||
| 21 | C | 31.4 | Very low | 36 | Very low | 101 Ų | 101 | 149.1 Ų | 149.1 | 68% | 0.682 | 75% | 0.748 | S | S | * | * | trans | -110.5 | 94.8 | 168.1 | -67.4 | 0 | 0 | 0 | 0 | 108.5 | L19 I23 | L19-C21 PolarHBondContact O-N 3.29Å; L19-C21 VanDerWaalsContact O-N 3.15Å; C21-I23 PolarHBondContact O-N 3.13Å | ||
| 22 | H | 39.6 | Very low | 36.2 | Very low | 171 Ų | 171 | 143.4 Ų | 143.4 | 79% | 0.792 | 73% | 0.729 | S | S | * | * | trans | -68.8 | 103.6 | 163.4 | -89 | -72.9 | 0 | 0 | 0 | 108.8 | ||||
| 23 | I | 33.5 | Very low | 35.9 | Very low | 154 Ų | 154 | 142.7 Ų | 142.7 | 79% | 0.79 | 73% | 0.729 | S | S | * | * | trans | -133.6 | 129.3 | 159.3 | -58.7 | -178.6 | 0 | 0 | 0 | 108.1 | C21 L25 | C21-I23 PolarHBondContact O-N 3.13Å; I23-L25 PolarHBondContact O-N 3.46Å | ||
| 24 | Q | 32.3 | Very low | 36.1 | Very low | 185 Ų | 185 | 143 Ų | 143 | 86% | 0.864 | 72% | 0.72 | S | S | * | * | trans | -44.3 | 122.5 | -167.3 | -80 | 159.2 | -74.3 | 0 | 0 | 115.3 | H26 | Q24-H26 PolarHBondContact O-N 3.27Š| ||
| 25 | L | 38.4 | Very low | 35.9 | Very low | 126 Ų | 126 | 143.6 Ų | 143.6 | 66% | 0.66 | 72% | 0.715 | S | S | * | * | trans | -57 | 121.5 | 155.6 | -78.2 | 128.8 | 0 | 0 | 0 | 109.6 | I23 | I23-L25 PolarHBondContact O-N 3.46Š| ||
| 26 | H | 34 | Very low | 36 | Very low | 190 Ų | 190 | 140.1 Ų | 140.1 | 88% | 0.88 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -158.1 | 4.3 | 146.1 | -102.8 | -63.8 | 0 | 0 | 0 | 116.3 | Q24 | Q24-H26 PolarHBondContact O-N 3.27Š|
| 27 | S | 29.1 | Very low | 36.2 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 85% | 0.853 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -125.7 | 7.8 | 173.6 | 62.9 | 0 | 0 | 0 | 0 | 114.9 | ||
| 28 | H | 35.5 | Very low | 36.6 | Very low | 97 Ų | 97 | 138.1 Ų | 138.1 | 45% | 0.449 | 67% | 0.668 | S | S | . | * | trans | -94.4 | -5.8 | -157 | -130.4 | -45.3 | 0 | 0 | 0 | 116.6 | F30 Q32 | H28-F30 PolarHBondContact O-N 3Å; H28-Q32 PolarHBondContact CE1-NE2 2.98Å; H28-Q32 VanDerWaalsContact CE1-NE2 3.32Å; H28-Q32 PolarHBondContact CE1-OE1 3.38Å; H28-Q32 PolarHBondContact ND1-OE1 3.39Å; H28-Q32 VanDerWaalsContact O-CB 3.24Å; H28-Q32 WeakPolarHBondContact O-CB 3.47Å | ||
| 29 | Q | 33.9 | Very low | 36.7 | Very low | 152 Ų | 152 | 132.5 Ų | 132.5 | 71% | 0.71 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -19.1 | -162.9 | -79.4 | 178.6 | -22.7 | 0 | 0 | 116.5 | I33 | Q29-I33 VanDerWaalsContact O-CD1 3.23Å; Q29-I33 WeakPolarHBondContact O-CD1 3.32Å |
| 30 | F | 33 | Very low | 37 | Very low | 205 Ų | 205 | 131 Ų | 131 | 90% | 0.899 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -17.9 | -173.2 | -106.6 | -88.8 | 0 | 0 | 0 | 116.3 | H28 | H28-F30 PolarHBondContact O-N 3Š|
| 31 | R | 36.7 | Very low | 37.1 | Very low | 213 Ų | 213 | 127.4 Ų | 127.4 | 80% | 0.804 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.3 | -19.2 | 177.1 | -82.1 | -168.7 | -173.9 | -150.6 | 2.6 | 115.1 | ||
| 32 | Q | 38.9 | Very low | 37.6 | Very low | 71 Ų | 71 | 124 Ų | 124 | 33% | 0.332 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -75 | -35.5 | -175.9 | -156.2 | 168.4 | 19.8 | 0 | 0 | 112.1 | H28 H34 L35 D36 | H28-Q32 PolarHBondContact CE1-NE2 2.98Å; H28-Q32 VanDerWaalsContact CE1-NE2 3.32Å; H28-Q32 PolarHBondContact CE1-OE1 3.38Å; H28-Q32 PolarHBondContact ND1-OE1 3.39Å; H28-Q32 VanDerWaalsContact O-CB 3.24Å; H28-Q32 WeakPolarHBondContact O-CB 3.47Å; Q32-H34 VanDerWaalsContact C-N 3.33Å; Q32-H34 PolarHBondContact O-N 3.04Å; Q32-L35 PolarHBondContact O-N 3.4Å; Q32-D36 WeakPolarHBondContact O-CB 3.31Å; Q32-D36 PolarHBondContact O-N 2.93Å |
| 33 | I | 35.7 | Very low | 38.1 | Very low | 114 Ų | 114 | 124.6 Ų | 124.6 | 59% | 0.585 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -61.8 | -38.8 | -177.4 | -56.1 | 174.2 | 0 | 0 | 0 | 111.6 | Q29 T37 | Q29-I33 VanDerWaalsContact O-CD1 3.23Å; Q29-I33 WeakPolarHBondContact O-CD1 3.32Å; I33-T37 VanDerWaalsContact O-CB 3.28Å; I33-T37 WeakPolarHBondContact O-CB 3.48Å; I33-T37 PolarHBondContact O-N 3.48Å; I33-T37 PolarHBondContact O-OG1 3.33Å |
| 34 | H | 41.1 | Very low | 38.8 | Very low | 127 Ų | 127 | 123 Ų | 123 | 59% | 0.588 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -74.6 | -36.5 | 178.2 | -171.4 | -106.8 | 0 | 0 | 0 | 112.7 | Q32 R38 | Q32-H34 VanDerWaalsContact C-N 3.33Å; Q32-H34 PolarHBondContact O-N 3.04Å; H34-R38 WeakPolarHBondContact O-CB 3.42Å; H34-R38 VanDerWaalsContact O-CG 3.25Å; H34-R38 WeakPolarHBondContact O-CG 3.48Å; H34-R38 PolarHBondContact O-N 3.07Å; H34-R38 VanDerWaalsContact O-N 3.08Å |
| 35 | L | 37.7 | Very low | 39.6 | Very low | 109 Ų | 109 | 115.8 Ų | 115.8 | 57% | 0.571 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -71 | -42.4 | 175.9 | -96.3 | 138.7 | 0 | 0 | 0 | 112 | Q32 R38 L39 | Q32-L35 PolarHBondContact O-N 3.4Å; L35-R38 PolarHBondContact O-N 3.33Å; L35-L39 VanDerWaalsContact O-CB 3.3Å; L35-L39 WeakPolarHBondContact O-CB 3.17Å; L35-L39 VanDerWaalsContact O-CG 3.25Å; L35-L39 WeakPolarHBondContact O-CG 3.44Å; L35-L39 PolarHBondContact O-N 3.34Å |
| 36 | D | 40.5 | Very low | 40.3 | Very low | 85 Ų | 85 | 115.9 Ų | 115.9 | 46% | 0.455 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.7 | -42.6 | 176.4 | -92.2 | -33.6 | 0 | 0 | 0 | 111.7 | Q32 R38 L39 Q40 | Q32-D36 WeakPolarHBondContact O-CB 3.31Å; Q32-D36 PolarHBondContact O-N 2.93Å; D36-R38 VanDerWaalsContact C-N 3.33Å; D36-R38 PolarHBondContact O-N 2.82Å; D36-L39 PolarHBondContact O-N 3.28Å; D36-Q40 WeakPolarHBondContact O-CB 3.42Å; D36-Q40 PolarHBondContact O-N 3.33Å |
| 37 | T | 41.8 | Very low | 41.4 | Very low | 74 Ų | 74 | 111.7 Ų | 111.7 | 45% | 0.454 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 175.8 | -51.6 | 0 | 0 | 0 | 0 | 110.6 | I33 Q40 V41 | I33-T37 VanDerWaalsContact O-CB 3.28Å; I33-T37 WeakPolarHBondContact O-CB 3.48Å; I33-T37 PolarHBondContact O-N 3.48Å; I33-T37 PolarHBondContact O-OG1 3.33Å; T37-Q40 PolarHBondContact O-N 3.45Å; T37-V41 VanDerWaalsContact O-CG2 3.25Å; T37-V41 WeakPolarHBondContact O-CG2 3.45Å; T37-V41 PolarHBondContact O-N 3.09Å |
| 38 | R | 39.8 | Very low | 42.8 | Very low | 94 Ų | 94 | 109.5 Ų | 109.5 | 36% | 0.355 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64 | -47.7 | 174.8 | -74.9 | -176.2 | 77.8 | -175.9 | 3.8 | 111.3 | H34 L35 D36 Q40 V41 F42 | H34-R38 WeakPolarHBondContact O-CB 3.42Å; H34-R38 VanDerWaalsContact O-CG 3.25Å; H34-R38 WeakPolarHBondContact O-CG 3.48Å; H34-R38 PolarHBondContact O-N 3.07Å; H34-R38 VanDerWaalsContact O-N 3.08Å; L35-R38 PolarHBondContact O-N 3.33Å; D36-R38 VanDerWaalsContact C-N 3.33Å; D36-R38 PolarHBondContact O-N 2.82Å; R38-Q40 VanDerWaalsContact C-N 3.31Å; R38-Q40 PolarHBondContact O-N 3.39Å; R38-V41 PolarHBondContact O-N 3.48Å; R38-F42 VanDerWaalsContact C-CD2 3.41Å; R38-F42 HydrophobicContact CB-CD2 4.3Å; R38-F42 HydrophobicContact CB-CE2 4.08Å; R38-F42 WeakPolarHBondContact O-CB 3.34Å; R38-F42 WeakPolarHBondContact O-CD2 3.29Å; R38-F42 WeakPolarHBondContact O-CG 3.23Å; R38-F42 PolarHBondContact O-N 3.23Å |
| 39 | L | 41.8 | Very low | 43.8 | Very low | 92 Ų | 92 | 105.8 Ų | 105.8 | 48% | 0.482 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.7 | -36.1 | 177.2 | -77.6 | 166.2 | 0 | 0 | 0 | 112.8 | L35 D36 F42 R43 | L35-L39 VanDerWaalsContact O-CB 3.3Å; L35-L39 WeakPolarHBondContact O-CB 3.17Å; L35-L39 VanDerWaalsContact O-CG 3.25Å; L35-L39 WeakPolarHBondContact O-CG 3.44Å; L35-L39 PolarHBondContact O-N 3.34Å; D36-L39 PolarHBondContact O-N 3.28Å; L39-F42 WeakPolarHBondContact O-CB 3.47Å; L39-F42 PolarHBondContact O-N 3.08Å; L39-R43 PolarHBondContact O-N 2.93Å |
| 40 | Q | 41.8 | Very low | 45 | Very low | 119 Ų | 119 | 101.4 Ų | 101.4 | 56% | 0.556 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -71.3 | -42.6 | 177.7 | -165.8 | 174.9 | 14.6 | 0 | 0 | 111.6 | D36 T37 R38 F42 R43 Q44 | D36-Q40 WeakPolarHBondContact O-CB 3.42Å; D36-Q40 PolarHBondContact O-N 3.33Å; T37-Q40 PolarHBondContact O-N 3.45Å; R38-Q40 VanDerWaalsContact C-N 3.31Å; R38-Q40 PolarHBondContact O-N 3.39Å; Q40-F42 VanDerWaalsContact C-N 3.3Å; Q40-F42 PolarHBondContact O-N 3.01Å; Q40-R43 PolarHBondContact O-N 3.39Å; Q40-Q44 PolarHBondContact O-N 3.16Å |
| 41 | V | 42.3 | Very low | 46.3 | Very low | 74 Ų | 74 | 96.6 Ų | 96.6 | 45% | 0.448 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.4 | -41.8 | 170 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | T37 R38 Q44 N45 | T37-V41 VanDerWaalsContact O-CG2 3.25Å; T37-V41 WeakPolarHBondContact O-CG2 3.45Å; T37-V41 PolarHBondContact O-N 3.09Å; R38-V41 PolarHBondContact O-N 3.48Å; V41-Q44 PolarHBondContact O-N 3.47Å; V41-N45 WeakPolarHBondContact O-CB 3.49Å; V41-N45 PolarHBondContact O-N 2.96Å |
| 42 | F | 42.7 | Very low | 47.3 | Very low | 31 Ų | 31 | 89.3 Ų | 89.3 | 14% | 0.136 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 175.2 | -76.1 | -63.4 | 0 | 0 | 0 | 112.4 | R38 L39 Q40 R46 Y78 N81 L82 | R38-F42 VanDerWaalsContact C-CD2 3.41Å; R38-F42 HydrophobicContact CB-CD2 4.3Å; R38-F42 HydrophobicContact CB-CE2 4.08Å; R38-F42 WeakPolarHBondContact O-CB 3.34Å; R38-F42 WeakPolarHBondContact O-CD2 3.29Å; R38-F42 WeakPolarHBondContact O-CG 3.23Å; R38-F42 PolarHBondContact O-N 3.23Å; L39-F42 WeakPolarHBondContact O-CB 3.47Å; L39-F42 PolarHBondContact O-N 3.08Å; Q40-F42 VanDerWaalsContact C-N 3.3Å; Q40-F42 PolarHBondContact O-N 3.01Å; F42-R46 WeakPolarHBondContact O-CB 3.33Å; F42-R46 PolarHBondContact O-N 2.76Å; F42-Y78 HydrophobicContact CD1-CD2 4.4Å; F42-Y78 HydrophobicContact CD1-CE2 4.09Å; F42-N81 HydrophobicContact CE1-CB 3.92Å; F42-N81 HydrophobicContact CZ-CB 4.15Å; F42-L82 HydrophobicContact CD1-CD2 4.5Å; F42-L82 HydrophobicContact CE1-CD2 4.08Å |
| 43 | R | 49.6 | Very low | 48.1 | Very low | 182 Ų | 182 | 87.5 Ų | 87.5 | 69% | 0.687 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -62.5 | -48.2 | 174.9 | -98.9 | -169.8 | 179.5 | -156.6 | 0.9 | 112.2 | L39 Q40 R46 N47 | L39-R43 PolarHBondContact O-N 2.93Å; Q40-R43 PolarHBondContact O-N 3.39Å; R43-R46 PolarHBondContact O-N 3.22Å; R43-N47 PolarHBondContact O-N 3.49Å; R43-N47 PolarHBondContact O-ND2 3.43Å |
| 44 | Q | 47.8 | Very low | 49.1 | Very low | 122 Ų | 122 | 85.6 Ų | 85.6 | 57% | 0.57 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -63.7 | -43.9 | 179 | -87.2 | 166.6 | -19.4 | 0 | 0 | 111.7 | Q40 V41 R46 N47 C48 | Q40-Q44 PolarHBondContact O-N 3.16Å; V41-Q44 PolarHBondContact O-N 3.47Å; Q44-R46 PolarHBondContact O-N 3.45Å; Q44-N47 PolarHBondContact O-N 3.32Å; Q44-C48 PolarHBondContact O-N 3.46Å; Q44-C48 VanDerWaalsContact O-N 3.15Å; Q44-C48 PolarHBondContact O-SG 2.83Å; Q44-C48 VanDerWaalsContact O-SG 3.41Å |
| 45 | N | 50.4 | Low | 49.9 | Very low | 33 Ų | 33 | 86.7 Ų | 86.7 | 18% | 0.176 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -69.4 | -36.2 | -178.8 | -150 | -6 | 0 | 0 | 0 | 111.7 | V41 N47 C48 I49 Y78 | V41-N45 WeakPolarHBondContact O-CB 3.49Å; V41-N45 PolarHBondContact O-N 2.96Å; N45-N47 VanDerWaalsContact C-N 3.35Å; N45-N47 PolarHBondContact O-N 2.78Å; N45-C48 PolarHBondContact O-N 3.16Å; N45-I49 WeakPolarHBondContact O-CB 3.35Å; N45-I49 WeakPolarHBondContact O-CD1 3.43Å; N45-I49 VanDerWaalsContact O-CG1 3.26Å; N45-I49 WeakPolarHBondContact O-CG1 3.31Å; N45-I49 PolarHBondContact O-N 3.34Å; N45-Y78 HydrophobicContact CB-CD2 4.45Å |
| 46 | R | 52.1 | Low | 50.6 | Low | 127 Ų | 127 | 84.5 Ų | 84.5 | 48% | 0.479 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.7 | -41.5 | 173.3 | -172.9 | 179.2 | 170.8 | -161.5 | -4.3 | 112 | F42 R43 Q44 I49 L50 | F42-R46 WeakPolarHBondContact O-CB 3.33Å; F42-R46 PolarHBondContact O-N 2.76Å; R43-R46 PolarHBondContact O-N 3.22Å; Q44-R46 PolarHBondContact O-N 3.45Å; R46-I49 PolarHBondContact O-N 2.98Å; R46-L50 HydrophobicContact CG-CD1 3.96Å; R46-L50 HydrophobicContact CG-CG 4.47Å; R46-L50 VanDerWaalsContact O-CB 3.29Å; R46-L50 WeakPolarHBondContact O-CB 3.32Å; R46-L50 WeakPolarHBondContact O-CD1 3.24Å; R46-L50 VanDerWaalsContact O-CG 3.23Å; R46-L50 WeakPolarHBondContact O-CG 3.23Å; R46-L50 PolarHBondContact O-N 3.13Å |
| 47 | N | 58.2 | Low | 51.1 | Low | 103 Ų | 103 | 88.2 Ų | 88.2 | 55% | 0.551 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -66.3 | -41.6 | 177.2 | -69.2 | -20.3 | 0 | 0 | 0 | 112.1 | R43 Q44 N45 L50 H51 | R43-N47 PolarHBondContact O-N 3.49Å; R43-N47 PolarHBondContact O-ND2 3.43Å; Q44-N47 PolarHBondContact O-N 3.32Å; N45-N47 VanDerWaalsContact C-N 3.35Å; N45-N47 PolarHBondContact O-N 2.78Å; N47-L50 PolarHBondContact O-N 3.03Å; N47-H51 WeakPolarHBondContact O-CB 3.39Å; N47-H51 PolarHBondContact O-N 2.93Å |
| 48 | C | 56.7 | Low | 51.4 | Low | 75 Ų | 75 | 87.8 Ų | 87.8 | 51% | 0.507 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 175.7 | -67.9 | 0 | 0 | 0 | 0 | 112 | Q44 N45 H51 L52 | Q44-C48 PolarHBondContact O-N 3.46Å; Q44-C48 VanDerWaalsContact O-N 3.15Å; Q44-C48 PolarHBondContact O-SG 2.83Å; Q44-C48 VanDerWaalsContact O-SG 3.41Å; N45-C48 PolarHBondContact O-N 3.16Å; C48-H51 PolarHBondContact O-N 2.94Å; C48-L52 WeakPolarHBondContact O-CB 3.38Å; C48-L52 PolarHBondContact O-N 3.19Å |
| 49 | I | 56.8 | Low | 52.1 | Low | 19 Ų | 19 | 95 Ų | 95 | 10% | 0.097 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -69 | -42.4 | 178.8 | -68.1 | 165.3 | 0 | 0 | 0 | 110.9 | N45 R46 H51 L52 L53 L75 Y78 | N45-I49 WeakPolarHBondContact O-CB 3.35Å; N45-I49 WeakPolarHBondContact O-CD1 3.43Å; N45-I49 VanDerWaalsContact O-CG1 3.26Å; N45-I49 WeakPolarHBondContact O-CG1 3.31Å; N45-I49 PolarHBondContact O-N 3.34Å; R46-I49 PolarHBondContact O-N 2.98Å; I49-H51 VanDerWaalsContact C-N 3.3Å; I49-H51 PolarHBondContact O-N 3.28Å; I49-L52 PolarHBondContact O-N 3.33Å; I49-L53 HydrophobicContact CG2-CD1 3.73Å; I49-L53 HydrophobicContact CG2-CG 4.25Å; I49-L53 WeakPolarHBondContact O-CB 3.21Å; I49-L53 WeakPolarHBondContact O-CG 3.35Å; I49-L53 PolarHBondContact O-N 3.06Å; I49-L75 HydrophobicContact CD1-CD1 4.16Å; I49-L75 HydrophobicContact CG1-CD1 4.47Å; I49-L75 HydrophobicContact CG2-CD1 4.02Å; I49-Y78 HydrophobicContact CD1-CD1 3.61Å; I49-Y78 HydrophobicContact CD1-CD2 3.92Å; I49-Y78 HydrophobicContact CD1-CE1 4.27Å; I49-Y78 HydrophobicContact CD1-CG 3.39Å |
| 50 | L | 59.5 | Low | 52.3 | Low | 61 Ų | 61 | 101.3 Ų | 101.3 | 32% | 0.319 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -58.5 | -42.6 | 173.9 | -80.2 | 165.6 | 0 | 0 | 0 | 111.7 | F10 R46 N47 L53 S54 | F10-L50 HydrophobicContact CD1-CD2 3.73Å; F10-L50 HydrophobicContact CE1-CD2 3.55Å; R46-L50 HydrophobicContact CG-CD1 3.96Å; R46-L50 HydrophobicContact CG-CG 4.47Å; R46-L50 VanDerWaalsContact O-CB 3.29Å; R46-L50 WeakPolarHBondContact O-CB 3.32Å; R46-L50 WeakPolarHBondContact O-CD1 3.24Å; R46-L50 VanDerWaalsContact O-CG 3.23Å; R46-L50 WeakPolarHBondContact O-CG 3.23Å; R46-L50 PolarHBondContact O-N 3.13Å; N47-L50 PolarHBondContact O-N 3.03Å; L50-L53 PolarHBondContact O-N 2.84Å; L50-S54 WeakPolarHBondContact O-CB 3.46Å; L50-S54 PolarHBondContact O-N 3.24Å; L50-S54 PolarHBondContact O-OG 3.33Å |
| 51 | H | 59.9 | Low | 52.6 | Low | 104 Ų | 104 | 102.8 Ų | 102.8 | 48% | 0.481 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.9 | -43.5 | 177.2 | -177.8 | -108 | 0 | 0 | 0 | 111.9 | N47 C48 I49 L53 S54 K55 | N47-H51 WeakPolarHBondContact O-CB 3.39Å; N47-H51 PolarHBondContact O-N 2.93Å; C48-H51 PolarHBondContact O-N 2.94Å; I49-H51 VanDerWaalsContact C-N 3.3Å; I49-H51 PolarHBondContact O-N 3.28Å; H51-L53 PolarHBondContact O-N 3.24Å; H51-S54 WeakPolarHBondContact CA-OG 3.48Å; H51-S54 PolarHBondContact O-N 2.79Å; H51-S54 PolarHBondContact O-OG 3.04Å; H51-K55 WeakPolarHBondContact CE1-CE 3.26Å; H51-K55 WeakPolarHBondContact NE2-CE 3.18Å; H51-K55 PolarHBondContact O-N 3.42Å; H51-K55 VanDerWaalsContact O-N 3.09Å |
| 52 | L | 57.2 | Low | 52.9 | Low | 59 Ų | 59 | 103 Ų | 103 | 31% | 0.309 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.5 | -43 | 173.9 | -114.7 | 125.7 | 0 | 0 | 0 | 112 | C48 I49 N56 L69 | C48-L52 WeakPolarHBondContact O-CB 3.38Å; C48-L52 PolarHBondContact O-N 3.19Å; I49-L52 PolarHBondContact O-N 3.33Å; L52-N56 PolarHBondContact O-N 3.09Å; L52-N56 PolarHBondContact O-ND2 2.85Å; L52-L69 HydrophobicContact CD2-CD1 4.46Å |
| 53 | L | 57 | Low | 53.4 | Low | 34 Ų | 34 | 110.4 Ų | 110.4 | 18% | 0.178 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -63.5 | -49 | 175.5 | -72.6 | 166.7 | 0 | 0 | 0 | 110.3 | F10 I49 L50 H51 K55 N56 W57 L69 | F10-L53 HydrophobicContact CE1-CD1 4.14Å; F10-L53 HydrophobicContact CZ-CD1 3.87Å; I49-L53 HydrophobicContact CG2-CD1 3.73Å; I49-L53 HydrophobicContact CG2-CG 4.25Å; I49-L53 WeakPolarHBondContact O-CB 3.21Å; I49-L53 WeakPolarHBondContact O-CG 3.35Å; I49-L53 PolarHBondContact O-N 3.06Å; L50-L53 PolarHBondContact O-N 2.84Å; H51-L53 PolarHBondContact O-N 3.24Å; L53-K55 VanDerWaalsContact C-N 3.3Å; L53-K55 PolarHBondContact O-N 3.26Å; L53-N56 PolarHBondContact O-N 2.76Å; L53-W57 PolarHBondContact O-N 2.85Å; L53-L69 HydrophobicContact CD2-CD1 3.89Å; L53-L69 HydrophobicContact CD2-CD2 3.5Å; L53-L69 HydrophobicContact CD2-CG 4.35Å |
| 54 | S | 57.1 | Low | 53.4 | Low | 73 Ų | 73 | 108.9 Ų | 108.9 | 51% | 0.51 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.2 | -36.5 | -178.4 | 74.1 | 0 | 0 | 0 | 0 | 113.9 | L50 H51 N56 W57 | L50-S54 WeakPolarHBondContact O-CB 3.46Å; L50-S54 PolarHBondContact O-N 3.24Å; L50-S54 PolarHBondContact O-OG 3.33Å; H51-S54 WeakPolarHBondContact CA-OG 3.48Å; H51-S54 PolarHBondContact O-N 2.79Å; H51-S54 PolarHBondContact O-OG 3.04Å; S54-N56 VanDerWaalsContact C-N 3.32Å; S54-N56 PolarHBondContact O-N 3.05Å; S54-W57 PolarHBondContact O-N 3.22Å |
| 55 | K | 58 | Low | 53.9 | Low | 151 Ų | 151 | 105.5 Ų | 105.5 | 66% | 0.657 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -70.2 | -28.3 | 177 | -78.2 | -171.5 | 170.9 | -175.5 | 0 | 113.2 | H51 L53 | H51-K55 WeakPolarHBondContact CE1-CE 3.26Å; H51-K55 WeakPolarHBondContact NE2-CE 3.18Å; H51-K55 PolarHBondContact O-N 3.42Å; H51-K55 VanDerWaalsContact O-N 3.09Å; L53-K55 VanDerWaalsContact C-N 3.3Å; L53-K55 PolarHBondContact O-N 3.26Å |
| 56 | N | 52.1 | Low | 54.2 | Low | 62 Ų | 62 | 108.1 Ų | 108.1 | 33% | 0.332 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -91.9 | -0.8 | -179.4 | -67.9 | -53.1 | 0 | 0 | 0 | 113 | L52 L53 S54 S58 | L52-N56 PolarHBondContact O-N 3.09Å; L52-N56 PolarHBondContact O-ND2 2.85Å; L53-N56 PolarHBondContact O-N 2.76Å; S54-N56 VanDerWaalsContact C-N 3.32Å; S54-N56 PolarHBondContact O-N 3.05Å; N56-S58 PolarHBondContact O-N 3.31Å |
| 57 | W | 49.7 | Very low | 54.7 | Low | 164 Ų | 164 | 108.6 Ų | 108.6 | 62% | 0.621 | 52% | 0.518 | S | S | * | . | trans | -81.8 | 35.5 | -179.4 | -83.7 | 36.5 | 0 | 0 | 0 | 114 | F10 L53 S54 R59 | F10-W57 HydrophobicContact CD2-CH2 4.43Å; F10-W57 HydrophobicContact CD2-CZ2 4.43Å; F10-W57 HydrophobicContact CE2-CZ2 4.1Å; F10-W57 HydrophobicContact CZ-CZ2 4.5Å; L53-W57 PolarHBondContact O-N 2.85Å; S54-W57 PolarHBondContact O-N 3.22Å; W57-R59 PolarHBondContact O-N 3.45Å | ||
| 58 | S | 49.3 | Very low | 54.9 | Low | 65 Ų | 65 | 110.3 Ų | 110.3 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | trans | -70.1 | 113.9 | 163 | 176.1 | 0 | 0 | 0 | 0 | 108.5 | N56 R60 Y61 | N56-S58 PolarHBondContact O-N 3.31Å; S58-R60 PolarHBondContact O-N 2.82Å; S58-Y61 PolarHBondContact O-N 3.48Å | ||
| 59 | R | 53.3 | Low | 55.6 | Low | 245 Ų | 245 | 108.4 Ų | 108.4 | 93% | 0.925 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -2 | -173.4 | -151 | 179.6 | -164.6 | -164.1 | 4.6 | 115.4 | W57 | W57-R59 PolarHBondContact O-N 3.45Š|
| 60 | R | 47.4 | Very low | 56.4 | Low | 225 Ų | 225 | 109.1 Ų | 109.1 | 85% | 0.849 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | -3.6 | -174.7 | -66.3 | -163.3 | -88 | -160.8 | -2.2 | 115.5 | S58 | S58-R60 PolarHBondContact O-N 2.82Š|
| 61 | Y | 46.7 | Very low | 57.2 | Low | 149 Ų | 149 | 113 Ų | 113 | 58% | 0.584 | 53% | 0.525 | S | S | * | . | trans | -127.3 | 15.2 | -172.7 | -80.2 | -87.4 | 0 | 0 | 0 | 116.2 | S58 H63 Q64 | S58-Y61 PolarHBondContact O-N 3.48Å; Y61-H63 PolarHBondContact O-N 2.93Å; Y61-Q64 PolarHBondContact O-N 3.4Å | ||
| 62 | C | 50.5 | Low | 58.3 | Low | 79 Ų | 79 | 111.8 Ų | 111.8 | 53% | 0.534 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -2.9 | -168.6 | -65.2 | 0 | 0 | 0 | 0 | 117.7 | T66 | C62-T66 PolarHBondContact O-OG1 3.27Š|
| 63 | H | 52 | Low | 59.4 | Low | 186 Ų | 186 | 117.3 Ų | 117.3 | 86% | 0.861 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -25.7 | -179.2 | -77.8 | -23.7 | 0 | 0 | 0 | 115.1 | Y61 | Y61-H63 PolarHBondContact O-N 2.93Š|
| 64 | Q | 50.6 | Low | 60.2 | Low | 150 Ų | 150 | 117.4 Ų | 117.4 | 70% | 0.701 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -34.3 | 175.9 | -96.7 | 170.2 | -21.2 | 0 | 0 | 112.6 | Y61 | Y61-Q64 PolarHBondContact O-N 3.4Š|
| 65 | D | 57.4 | Low | 61.3 | Low | 52 Ų | 52 | 115 Ų | 115 | 28% | 0.278 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -81.4 | -22.4 | -170.1 | -66.7 | -28.3 | 0 | 0 | 0 | 114.3 | K67 M68 L69 | D65-K67 PolarHBondContact O-N 3.41Å; D65-M68 CarbonylContact O-C 3.56Å; D65-M68 WeakPolarHBondContact O-CB 3.49Å; D65-M68 PolarHBondContact O-N 2.97Å; D65-L69 WeakPolarHBondContact O-CB 3.25Å; D65-L69 PolarHBondContact O-N 3.44Å |
| 66 | T | 57.5 | Low | 62.6 | Low | 88 Ų | 88 | 110.9 Ų | 110.9 | 54% | 0.54 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.8 | -38.9 | 179.9 | 23.1 | 0 | 0 | 0 | 0 | 112.2 | C62 M68 L69 W70 | C62-T66 PolarHBondContact O-OG1 3.27Å; T66-M68 VanDerWaalsContact C-N 3.33Å; T66-L69 PolarHBondContact O-N 2.86Å; T66-W70 PolarHBondContact O-N 3.47Å; T66-W70 VanDerWaalsContact O-N 3.08Å |
| 67 | K | 61.3 | Low | 64.2 | Low | 136 Ų | 136 | 112.4 Ų | 112.4 | 59% | 0.591 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67 | -35.3 | 172 | -165.9 | 172.6 | -174.8 | 173.7 | 0 | 111.4 | D65 K71 | D65-K67 PolarHBondContact O-N 3.41Å; K67-K71 VanDerWaalsContact O-CG 3.31Å; K67-K71 WeakPolarHBondContact O-CG 3.48Å; K67-K71 PolarHBondContact O-N 3.45Å |
| 68 | M | 63.9 | Low | 65.7 | Low | 140 Ų | 140 | 106.6 Ų | 106.6 | 69% | 0.69 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -69.6 | -38.2 | 174.7 | -72.8 | -130.4 | 171.1 | 0 | 0 | 112.7 | D65 T66 K71 H72 | D65-M68 CarbonylContact O-C 3.56Å; D65-M68 WeakPolarHBondContact O-CB 3.49Å; D65-M68 PolarHBondContact O-N 2.97Å; T66-M68 VanDerWaalsContact C-N 3.33Å; M68-K71 PolarHBondContact O-N 2.95Å; M68-H72 PolarHBondContact O-N 3.44Å |
| 69 | L | 70.1 | Confident | 67.5 | Low | 34 Ų | 34 | 104.6 Ų | 104.6 | 18% | 0.178 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -65.8 | -44.2 | 178.9 | -168 | 105.5 | 0 | 0 | 0 | 110.9 | L52 L53 D65 T66 K71 H72 L75 | L52-L69 HydrophobicContact CD2-CD1 4.46Å; L53-L69 HydrophobicContact CD2-CD1 3.89Å; L53-L69 HydrophobicContact CD2-CD2 3.5Å; L53-L69 HydrophobicContact CD2-CG 4.35Å; D65-L69 WeakPolarHBondContact O-CB 3.25Å; D65-L69 PolarHBondContact O-N 3.44Å; T66-L69 PolarHBondContact O-N 2.86Å; L69-K71 VanDerWaalsContact C-N 3.3Å; L69-K71 PolarHBondContact O-N 3.47Å; L69-H72 WeakPolarHBondContact O-CB 3.3Å; L69-H72 PolarHBondContact O-N 3.3Å; L69-H72 VanDerWaalsContact O-N 3.07Å; L69-L75 HydrophobicContact CD2-CD2 3.51Å; L69-L75 HydrophobicContact CG-CD2 3.88Å; L69-L75 WeakPolarHBondContact O-CD2 3.21Å |
| 70 | W | 74.2 | Confident | 69.1 | Low | 34 Ų | 34 | 95.5 Ų | 95.5 | 13% | 0.129 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -61.9 | -37 | 174.9 | 179.1 | -107.9 | 0 | 0 | 0 | 112.9 | T66 H72 Q76 M79 Y120 I123 E127 | T66-W70 PolarHBondContact O-N 3.47Å; T66-W70 VanDerWaalsContact O-N 3.08Å; W70-H72 PolarHBondContact O-N 3.17Å; W70-H72 VanDerWaalsContact O-N 3.07Å; W70-Q76 HydrophobicContact CZ2-CG 4.42Å; W70-Q76 WeakPolarHBondContact O-CG 3.37Å; W70-Q76 PolarHBondContact O-NE2 3.31Å; W70-M79 HydrophobicContact CZ3-CB 4.4Å; W70-M79 HydrophobicContact CZ3-CG 4.05Å; W70-Y120 AromaticContact CH2-CD2 3.59Å; W70-Y120 HydrophobicContact CH2-CD2 3.59Å; W70-Y120 AromaticContact CH2-CE2 3.54Å; W70-Y120 HydrophobicContact CH2-CE2 3.54Å; W70-Y120 HydrophobicContact CZ2-CE2 4.24Å; W70-Y120 HydrophobicContact CZ3-CD2 4.34Å; W70-I123 HydrophobicContact CD2-CD1 4.45Å; W70-I123 HydrophobicContact CD2-CG2 3.87Å; W70-I123 HydrophobicContact CE3-CD1 3.93Å; W70-I123 HydrophobicContact CE3-CG2 4.36Å; W70-I123 HydrophobicContact CG-CG2 4.43Å; W70-I123 HydrophobicContact CH2-CB 4.21Å; W70-I123 HydrophobicContact CH2-CD1 3.95Å; W70-I123 HydrophobicContact CH2-CG2 3.77Å; W70-I123 HydrophobicContact CZ2-CB 4.15Å; W70-I123 HydrophobicContact CZ2-CG2 3.28Å; W70-I123 HydrophobicContact CZ3-CD1 3.64Å; W70-I123 HydrophobicContact CZ3-CG2 4.3Å; W70-E127 VanDerWaalsContact CD1-OE1 3.27Å; W70-E127 PolarHBondContact NE1-OE1 2.93Å; W70-E127 PolarHBondContact NE1-OE2 3.5Å |
| 71 | K | 76.5 | Confident | 70.9 | Confident | 142 Ų | 142 | 86.6 Ų | 86.6 | 62% | 0.617 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -8.8 | 174.7 | -75.2 | -178.6 | 175.4 | -164.1 | 0 | 113.9 | K67 M68 L69 K73 | K67-K71 VanDerWaalsContact O-CG 3.31Å; K67-K71 WeakPolarHBondContact O-CG 3.48Å; K67-K71 PolarHBondContact O-N 3.45Å; M68-K71 PolarHBondContact O-N 2.95Å; L69-K71 VanDerWaalsContact C-N 3.3Å; L69-K71 PolarHBondContact O-N 3.47Å; K71-K73 PolarHBondContact O-N 2.82Å |
| 72 | H | 81.8 | Confident | 72.7 | Confident | 80 Ų | 80 | 79.9 Ų | 79.9 | 37% | 0.37 | 39% | 0.388 | S | S | . | . | trans | -74 | 115.9 | 177.8 | -167 | -91 | 0 | 0 | 0 | 111.3 | M68 L69 W70 A74 L75 Q76 | M68-H72 PolarHBondContact O-N 3.44Å; L69-H72 WeakPolarHBondContact O-CB 3.3Å; L69-H72 PolarHBondContact O-N 3.3Å; L69-H72 VanDerWaalsContact O-N 3.07Å; W70-H72 PolarHBondContact O-N 3.17Å; W70-H72 VanDerWaalsContact O-N 3.07Å; H72-A74 WeakPolarHBondContact CE1-CB 3.42Å; H72-A74 WeakPolarHBondContact ND1-CB 3.24Å; H72-A74 PolarHBondContact ND1-N 3.37Å; H72-A74 PolarHBondContact O-N 2.87Å; H72-A74 VanDerWaalsContact O-N 3.09Å; H72-L75 HydrophobicContact CB-CB 4.42Å; H72-L75 WeakPolarHBondContact O-CB 3.36Å; H72-L75 PolarHBondContact O-N 3.23Å; H72-Q76 PolarHBondContact O-N 3.38Å; H72-Q76 VanDerWaalsContact O-N 3.14Å | ||
| 73 | K | 80.7 | Confident | 74.5 | Confident | 174 Ų | 174 | 77 Ų | 77 | 76% | 0.757 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -52.6 | -36.7 | -176.6 | -170.5 | 174.2 | -176.6 | 175.5 | 0 | 114 | K71 L75 K77 | K71-K73 PolarHBondContact O-N 2.82Å; K73-L75 VanDerWaalsContact C-N 3.34Å; K73-K77 VanDerWaalsContact O-CB 3.32Å; K73-K77 WeakPolarHBondContact O-CB 3.31Å; K73-K77 PolarHBondContact O-N 2.79Å |
| 74 | A | 74.1 | Confident | 76.1 | Confident | 36 Ų | 36 | 72.4 Ų | 72.4 | 30% | 0.298 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -68.7 | -33.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | H72 Y78 | H72-A74 WeakPolarHBondContact CE1-CB 3.42Å; H72-A74 WeakPolarHBondContact ND1-CB 3.24Å; H72-A74 PolarHBondContact ND1-N 3.37Å; H72-A74 PolarHBondContact O-N 2.87Å; H72-A74 VanDerWaalsContact O-N 3.09Å; A74-Y78 VanDerWaalsContact O-CB 3.32Å; A74-Y78 WeakPolarHBondContact O-CB 3.3Å; A74-Y78 PolarHBondContact O-N 3.46Å |
| 75 | L | 80.2 | Confident | 77.7 | Confident | 23 Ų | 23 | 66.7 Ų | 66.7 | 12% | 0.12 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -72 | -46.1 | 177.1 | 179.6 | 62.8 | 0 | 0 | 0 | 110.3 | I49 L69 H72 K73 K77 Y78 M79 | I49-L75 HydrophobicContact CD1-CD1 4.16Å; I49-L75 HydrophobicContact CG1-CD1 4.47Å; I49-L75 HydrophobicContact CG2-CD1 4.02Å; L69-L75 HydrophobicContact CD2-CD2 3.51Å; L69-L75 HydrophobicContact CG-CD2 3.88Å; L69-L75 WeakPolarHBondContact O-CD2 3.21Å; H72-L75 HydrophobicContact CB-CB 4.42Å; H72-L75 WeakPolarHBondContact O-CB 3.36Å; H72-L75 PolarHBondContact O-N 3.23Å; K73-L75 VanDerWaalsContact C-N 3.34Å; L75-K77 VanDerWaalsContact C-N 3.28Å; L75-K77 PolarHBondContact O-N 3.21Å; L75-Y78 HydrophobicContact CD1-CD1 4.5Å; L75-Y78 WeakPolarHBondContact O-CB 3.28Å; L75-Y78 PolarHBondContact O-N 3.3Å; L75-Y78 VanDerWaalsContact O-N 3.16Å; L75-M79 HydrophobicContact CD1-CG 4.35Å; L75-M79 WeakPolarHBondContact O-CG 3.49Å; L75-M79 PolarHBondContact O-N 3.42Å |
| 76 | Q | 85.1 | Confident | 79.1 | Confident | 64 Ų | 64 | 66.9 Ų | 66.9 | 30% | 0.299 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -56.1 | -45.8 | 174 | -65.7 | -178 | -27.8 | 0 | 0 | 111 | W70 H72 Y78 M79 E80 | W70-Q76 HydrophobicContact CZ2-CG 4.42Å; W70-Q76 WeakPolarHBondContact O-CG 3.37Å; W70-Q76 PolarHBondContact O-NE2 3.31Å; H72-Q76 PolarHBondContact O-N 3.38Å; H72-Q76 VanDerWaalsContact O-N 3.14Å; Q76-Y78 VanDerWaalsContact C-N 3.32Å; Q76-Y78 PolarHBondContact O-N 2.89Å; Q76-M79 PolarHBondContact O-N 2.96Å; Q76-E80 WeakPolarHBondContact O-CB 3.49Å; Q76-E80 PolarHBondContact O-N 3.45Å |
| 77 | K | 85.8 | Confident | 80.5 | Confident | 95 Ų | 95 | 67.9 Ų | 67.9 | 41% | 0.413 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.6 | -37.7 | 178.9 | -169.1 | 60.9 | -178.5 | 176.9 | 0 | 112.7 | K73 L75 E80 N81 | K73-K77 VanDerWaalsContact O-CB 3.32Å; K73-K77 WeakPolarHBondContact O-CB 3.31Å; K73-K77 PolarHBondContact O-N 2.79Å; L75-K77 VanDerWaalsContact C-N 3.28Å; L75-K77 PolarHBondContact O-N 3.21Å; K77-E80 VanDerWaalsContact CD-OE2 3.26Å; K77-E80 WeakPolarHBondContact CD-OE2 3.49Å; K77-E80 IonicContact NZ-OE1 3.57Å; K77-E80 IonicContact NZ-OE2 2.77Å; K77-E80 PolarHBondContact NZ-OE2 2.92Å; K77-N81 WeakPolarHBondContact O-CB 3.47Å; K77-N81 PolarHBondContact O-N 2.75Å; K77-N81 PolarHBondContact O-ND2 3.31Å |
| 78 | Y | 82.3 | Confident | 81.5 | Confident | 42 Ų | 42 | 64.3 Ų | 64.3 | 17% | 0.165 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.1 | -47.9 | 175.3 | 174.7 | -104 | 0 | 0 | 0 | 111.5 | F42 N45 I49 A74 L75 Q76 N81 L82 | F42-Y78 HydrophobicContact CD1-CD2 4.4Å; F42-Y78 HydrophobicContact CD1-CE2 4.09Å; N45-Y78 HydrophobicContact CB-CD2 4.45Å; I49-Y78 HydrophobicContact CD1-CD1 3.61Å; I49-Y78 HydrophobicContact CD1-CD2 3.92Å; I49-Y78 HydrophobicContact CD1-CE1 4.27Å; I49-Y78 HydrophobicContact CD1-CG 3.39Å; A74-Y78 VanDerWaalsContact O-CB 3.32Å; A74-Y78 WeakPolarHBondContact O-CB 3.3Å; A74-Y78 PolarHBondContact O-N 3.46Å; L75-Y78 HydrophobicContact CD1-CD1 4.5Å; L75-Y78 WeakPolarHBondContact O-CB 3.28Å; L75-Y78 PolarHBondContact O-N 3.3Å; L75-Y78 VanDerWaalsContact O-N 3.16Å; Q76-Y78 VanDerWaalsContact C-N 3.32Å; Q76-Y78 PolarHBondContact O-N 2.89Å; Y78-N81 PolarHBondContact O-N 3.15Å; Y78-L82 HydrophobicContact CD1-CD1 4.03Å; Y78-L82 HydrophobicContact CE1-CD1 3.4Å; Y78-L82 HydrophobicContact CE1-CG 4.2Å; Y78-L82 HydrophobicContact CE2-CD1 4.29Å; Y78-L82 HydrophobicContact CE2-CD2 4.46Å; Y78-L82 HydrophobicContact CE2-CG 4.34Å; Y78-L82 WeakPolarHBondContact O-CG 3.48Å; Y78-L82 PolarHBondContact O-N 3.41Å |
| 79 | M | 86 | Confident | 82.3 | Confident | 22 Ų | 22 | 58.4 Ų | 58.4 | 11% | 0.108 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65 | -41.7 | 179 | -65.1 | -70.3 | -80.3 | 0 | 0 | 111.8 | W70 L75 Q76 N81 L82 S83 Y120 | W70-M79 HydrophobicContact CZ3-CB 4.4Å; W70-M79 HydrophobicContact CZ3-CG 4.05Å; L75-M79 HydrophobicContact CD1-CG 4.35Å; L75-M79 WeakPolarHBondContact O-CG 3.49Å; L75-M79 PolarHBondContact O-N 3.42Å; Q76-M79 PolarHBondContact O-N 2.96Å; M79-N81 VanDerWaalsContact C-N 3.31Å; M79-N81 PolarHBondContact O-N 3.44Å; M79-L82 PolarHBondContact O-N 2.79Å; M79-S83 PolarHBondContact O-N 3.29Å; M79-Y120 HydrophobicContact CB-CD2 3.45Å; M79-Y120 VanDerWaalsContact CB-CD2 3.45Å; M79-Y120 HydrophobicContact CB-CE2 3.61Å; M79-Y120 HydrophobicContact CB-CG 4.36Å; M79-Y120 HydrophobicContact CE-CD2 4.37Å; M79-Y120 HydrophobicContact CG-CD2 4.41Å |
| 80 | E | 87.6 | Confident | 83 | Confident | 54 Ų | 54 | 59.9 Ų | 59.9 | 25% | 0.252 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -56.9 | -44.8 | 173.1 | -170.9 | -161.6 | 164.3 | 0 | 0 | 111.2 | Q76 K77 L82 S83 K84 | Q76-E80 WeakPolarHBondContact O-CB 3.49Å; Q76-E80 PolarHBondContact O-N 3.45Å; K77-E80 VanDerWaalsContact CD-OE2 3.26Å; K77-E80 WeakPolarHBondContact CD-OE2 3.49Å; K77-E80 IonicContact NZ-OE1 3.57Å; K77-E80 IonicContact NZ-OE2 2.77Å; K77-E80 PolarHBondContact NZ-OE2 2.92Å; E80-L82 PolarHBondContact O-N 3.39Å; E80-S83 PolarHBondContact O-N 3.08Å; E80-K84 WeakPolarHBondContact O-CG 3.38Å; E80-K84 PolarHBondContact O-N 3.4Å; E80-K84 VanDerWaalsContact OE1-CE 3.23Å; E80-K84 WeakPolarHBondContact OE1-CE 3.08Å; E80-K84 IonicContact OE1-NZ 2.64Å; E80-K84 PolarHBondContact OE1-NZ 3.05Å |
| 81 | N | 84.6 | Confident | 83.4 | Confident | 38 Ų | 38 | 63.8 Ų | 63.8 | 20% | 0.203 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.4 | -38.4 | 179.2 | -72 | -18.5 | 0 | 0 | 0 | 112.5 | F42 K77 Y78 M79 K84 E85 | F42-N81 HydrophobicContact CE1-CB 3.92Å; F42-N81 HydrophobicContact CZ-CB 4.15Å; K77-N81 WeakPolarHBondContact O-CB 3.47Å; K77-N81 PolarHBondContact O-N 2.75Å; K77-N81 PolarHBondContact O-ND2 3.31Å; Y78-N81 PolarHBondContact O-N 3.15Å; M79-N81 VanDerWaalsContact C-N 3.31Å; M79-N81 PolarHBondContact O-N 3.44Å; N81-K84 PolarHBondContact O-N 3.49Å; N81-E85 PolarHBondContact O-N 3.49Å |
| 82 | L | 84 | Confident | 83.5 | Confident | 8 Ų | 8 | 59.1 Ų | 59.1 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.6 | -41 | 175.5 | -70.8 | -178 | 0 | 0 | 0 | 111.8 | F42 Y78 M79 E80 K84 E85 Y86 L113 L116 | F42-L82 HydrophobicContact CD1-CD2 4.5Å; F42-L82 HydrophobicContact CE1-CD2 4.08Å; Y78-L82 HydrophobicContact CD1-CD1 4.03Å; Y78-L82 HydrophobicContact CE1-CD1 3.4Å; Y78-L82 HydrophobicContact CE1-CG 4.2Å; Y78-L82 HydrophobicContact CE2-CD1 4.29Å; Y78-L82 HydrophobicContact CE2-CD2 4.46Å; Y78-L82 HydrophobicContact CE2-CG 4.34Å; Y78-L82 WeakPolarHBondContact O-CG 3.48Å; Y78-L82 PolarHBondContact O-N 3.41Å; M79-L82 PolarHBondContact O-N 2.79Å; E80-L82 PolarHBondContact O-N 3.39Å; L82-K84 VanDerWaalsContact C-N 3.31Å; L82-K84 PolarHBondContact O-N 2.95Å; L82-E85 WeakPolarHBondContact O-CB 3.47Å; L82-E85 PolarHBondContact O-N 3.01Å; L82-Y86 PolarHBondContact O-N 2.98Å; L82-L113 HydrophobicContact CB-CD2 4.46Å; L82-L113 HydrophobicContact CD2-CD2 3.92Å; L82-L116 HydrophobicContact CD1-CD1 4.04Å |
| 83 | S | 87.9 | Confident | 83.3 | Confident | 18 Ų | 18 | 57.1 Ų | 57.1 | 13% | 0.126 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.3 | -39.8 | 175.3 | -170.9 | 0 | 0 | 0 | 0 | 111.5 | M79 E80 Y86 Q87 | M79-S83 PolarHBondContact O-N 3.29Å; E80-S83 PolarHBondContact O-N 3.08Å; S83-Y86 WeakPolarHBondContact O-CB 3.47Å; S83-Y86 PolarHBondContact O-N 3Å; S83-Q87 WeakPolarHBondContact O-CG 3.46Å; S83-Q87 PolarHBondContact O-N 3.17Å |
| 84 | K | 86.5 | Confident | 83.3 | Confident | 90 Ų | 90 | 54.6 Ų | 54.6 | 39% | 0.391 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.3 | -41.3 | 173.5 | -72.9 | 177.7 | -175.2 | 177.7 | 0 | 112.3 | E80 N81 L82 Y86 Q87 T88 | E80-K84 WeakPolarHBondContact O-CG 3.38Å; E80-K84 PolarHBondContact O-N 3.4Å; E80-K84 VanDerWaalsContact OE1-CE 3.23Å; E80-K84 WeakPolarHBondContact OE1-CE 3.08Å; E80-K84 IonicContact OE1-NZ 2.64Å; E80-K84 PolarHBondContact OE1-NZ 3.05Å; N81-K84 PolarHBondContact O-N 3.49Å; L82-K84 VanDerWaalsContact C-N 3.31Å; L82-K84 PolarHBondContact O-N 2.95Å; K84-Y86 VanDerWaalsContact C-N 3.34Å; K84-Q87 PolarHBondContact O-N 3.35Å; K84-T88 VanDerWaalsContact O-CG2 3.32Å; K84-T88 WeakPolarHBondContact O-CG2 3.33Å; K84-T88 PolarHBondContact O-N 3.49Å; K84-T88 PolarHBondContact O-OG1 3.25Å |
| 85 | E | 85.3 | Confident | 83.1 | Confident | 30 Ų | 30 | 59.8 Ų | 59.8 | 14% | 0.14 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.7 | -48.9 | 174.2 | -174 | -175.2 | 156.1 | 0 | 0 | 110.5 | N81 L82 Q87 T88 L89 R109 L113 | N81-E85 PolarHBondContact O-N 3.49Å; L82-E85 WeakPolarHBondContact O-CB 3.47Å; L82-E85 PolarHBondContact O-N 3.01Å; E85-Q87 PolarHBondContact O-N 2.99Å; E85-T88 WeakPolarHBondContact CA-OG1 3.48Å; E85-T88 PolarHBondContact O-N 3.26Å; E85-T88 PolarHBondContact O-OG1 2.88Å; E85-L89 HydrophobicContact CG-CD1 4.21Å; E85-L89 WeakPolarHBondContact O-CG 3.36Å; E85-L89 PolarHBondContact O-N 3.43Å; E85-R109 IonicContact OE1-CZ 3.33Å; E85-R109 IonicContact OE1-NE 3.24Å; E85-R109 PolarHBondContact OE1-NE 2.75Å; E85-R109 IonicContact OE1-NH2 3.51Å; E85-R109 PolarHBondContact OE1-NH2 2.88Å; E85-R109 IonicContact OE2-NH2 3.48Å; E85-L113 HydrophobicContact CB-CD1 4.07Å; E85-L113 HydrophobicContact CG-CD1 3.76Å |
| 86 | Y | 85.1 | Confident | 82.5 | Confident | 57 Ų | 57 | 63.1 Ų | 63.1 | 22% | 0.224 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -53.8 | -52.3 | 176.3 | 178.2 | -96.7 | 0 | 0 | 0 | 112.2 | L82 S83 K84 T88 L89 E90 H110 L113 A114 A117 | L82-Y86 PolarHBondContact O-N 2.98Å; S83-Y86 WeakPolarHBondContact O-CB 3.47Å; S83-Y86 PolarHBondContact O-N 3Å; K84-Y86 VanDerWaalsContact C-N 3.34Å; Y86-T88 VanDerWaalsContact C-N 3.34Å; Y86-T88 PolarHBondContact O-N 3.46Å; Y86-L89 WeakPolarHBondContact O-CB 3.44Å; Y86-L89 PolarHBondContact O-N 3.37Å; Y86-L89 VanDerWaalsContact O-N 3.17Å; Y86-E90 PolarHBondContact O-N 3.23Å; Y86-H110 AromaticContact CD2-CD2 3.62Å; Y86-H110 AromaticContact CD2-NE2 3.55Å; Y86-H110 AromaticContact CE1-NE2 3.9Å; Y86-H110 AromaticContact CE2-CD2 3.55Å; Y86-H110 AromaticContact CE2-CE1 3.33Å; Y86-H110 WeakPolarHBondContact CE2-CE1 3.4Å; Y86-H110 AromaticContact CE2-ND1 3.88Å; Y86-H110 AromaticContact CE2-NE2 3.08Å; Y86-H110 WeakPolarHBondContact CE2-NE2 3.33Å; Y86-H110 AromaticContact CZ-CE1 3.47Å; Y86-H110 VanDerWaalsContact CZ-CE1 3.47Å; Y86-H110 AromaticContact CZ-NE2 3.26Å; Y86-H110 VanDerWaalsContact CZ-NE2 3.26Å; Y86-H110 PolarHBondContact OH-CE1 3.02Å; Y86-L113 HydrophobicContact CD2-CB 3.83Å; Y86-L113 HydrophobicContact CG-CB 4.48Å; Y86-A114 HydrophobicContact CE2-CB 3.86Å; Y86-A117 HydrophobicContact CD1-CB 3.89Å; Y86-A117 HydrophobicContact CD2-CB 4.32Å; Y86-A117 HydrophobicContact CE1-CB 4.28Å; Y86-A117 HydrophobicContact CG-CB 3.93Å |
| 87 | Q | 88 | Confident | 81.5 | Confident | 108 Ų | 108 | 66.3 Ų | 66.3 | 51% | 0.505 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.8 | -40.2 | 178.5 | -70.4 | 172.7 | -8.1 | 0 | 0 | 112.8 | S83 K84 E85 L89 E90 Q91 | S83-Q87 WeakPolarHBondContact O-CG 3.46Å; S83-Q87 PolarHBondContact O-N 3.17Å; K84-Q87 PolarHBondContact O-N 3.35Å; E85-Q87 PolarHBondContact O-N 2.99Å; Q87-L89 VanDerWaalsContact C-N 3.34Å; Q87-E90 PolarHBondContact O-N 2.96Å; Q87-Q91 WeakPolarHBondContact O-CG 3.42Å; Q87-Q91 PolarHBondContact O-N 3.47Å; Q87-Q91 VanDerWaalsContact O-N 3.12Å |
| 88 | T | 82.6 | Confident | 80.4 | Confident | 62 Ų | 62 | 63.5 Ų | 63.5 | 38% | 0.38 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.3 | -36.1 | 177.3 | 55.3 | 0 | 0 | 0 | 0 | 112.4 | K84 E85 Y86 Q91 C92 | K84-T88 VanDerWaalsContact O-CG2 3.32Å; K84-T88 WeakPolarHBondContact O-CG2 3.33Å; K84-T88 PolarHBondContact O-N 3.49Å; K84-T88 PolarHBondContact O-OG1 3.25Å; E85-T88 WeakPolarHBondContact CA-OG1 3.48Å; E85-T88 PolarHBondContact O-N 3.26Å; E85-T88 PolarHBondContact O-OG1 2.88Å; Y86-T88 VanDerWaalsContact C-N 3.34Å; Y86-T88 PolarHBondContact O-N 3.46Å; T88-Q91 PolarHBondContact O-N 3.12Å; T88-C92 WeakPolarHBondContact O-CB 3.46Å; T88-C92 PolarHBondContact O-N 2.92Å; T88-C92 PolarHBondContact O-SG 2.98Å |
| 89 | L | 80.7 | Confident | 80 | Confident | 16 Ų | 16 | 66.2 Ų | 66.2 | 8% | 0.084 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.5 | -44.6 | 176.3 | -72.3 | 175.1 | 0 | 0 | 0 | 111.2 | E85 Y86 Q87 Q91 C92 L93 L106 R109 H110 L113 | E85-L89 HydrophobicContact CG-CD1 4.21Å; E85-L89 WeakPolarHBondContact O-CG 3.36Å; E85-L89 PolarHBondContact O-N 3.43Å; Y86-L89 WeakPolarHBondContact O-CB 3.44Å; Y86-L89 PolarHBondContact O-N 3.37Å; Y86-L89 VanDerWaalsContact O-N 3.17Å; Q87-L89 VanDerWaalsContact C-N 3.34Å; L89-Q91 VanDerWaalsContact C-N 3.33Å; L89-Q91 PolarHBondContact O-N 3.26Å; L89-C92 PolarHBondContact O-N 3.4Å; L89-L93 WeakPolarHBondContact O-CB 3.47Å; L89-L93 VanDerWaalsContact O-CG 3.24Å; L89-L93 WeakPolarHBondContact O-CG 3.43Å; L89-L93 PolarHBondContact O-N 3.36Å; L89-L106 HydrophobicContact CD2-CB 4.36Å; L89-L106 HydrophobicContact CD2-CD2 3.34Å; L89-L106 HydrophobicContact CD2-CG 4.39Å; L89-R109 HydrophobicContact CD1-CB 4.05Å; L89-R109 HydrophobicContact CD1-CG 3.66Å; L89-H110 HydrophobicContact CB-CB 4.46Å; L89-H110 HydrophobicContact CD1-CB 4.47Å; L89-L113 HydrophobicContact CD1-CD1 3.94Å |
| 90 | E | 84.4 | Confident | 79.4 | Confident | 65 Ų | 65 | 69.1 Ų | 69.1 | 30% | 0.304 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -54.3 | -50 | 174.3 | -174.3 | 70.7 | -119.6 | 0 | 0 | 110.6 | Y86 Q87 C92 L93 Q94 H110 | Y86-E90 PolarHBondContact O-N 3.23Å; Q87-E90 PolarHBondContact O-N 2.96Å; E90-C92 PolarHBondContact O-N 3.22Å; E90-L93 PolarHBondContact O-N 2.9Å; E90-Q94 VanDerWaalsContact O-CG 3.3Å; E90-Q94 WeakPolarHBondContact O-CG 3.32Å; E90-Q94 PolarHBondContact O-N 2.93Å; E90-Q94 PolarHBondContact OE1-NE2 3.41Å; E90-H110 IonicContact OE2-CE1 2.92Å; E90-H110 PolarHBondContact OE2-CE1 3.01Å; E90-H110 IonicContact OE2-NE2 3.05Å; E90-H110 PolarHBondContact OE2-NE2 3.43Å |
| 91 | Q | 81.6 | Confident | 78.7 | Confident | 116 Ų | 116 | 73.4 Ų | 73.4 | 54% | 0.542 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62 | -42.7 | 177.8 | -70.2 | 172.5 | -0.6 | 0 | 0 | 112.8 | Q87 T88 L89 L93 Q94 H95 | Q87-Q91 WeakPolarHBondContact O-CG 3.42Å; Q87-Q91 PolarHBondContact O-N 3.47Å; Q87-Q91 VanDerWaalsContact O-N 3.12Å; T88-Q91 PolarHBondContact O-N 3.12Å; L89-Q91 VanDerWaalsContact C-N 3.33Å; L89-Q91 PolarHBondContact O-N 3.26Å; Q91-L93 VanDerWaalsContact C-N 3.33Å; Q91-L93 PolarHBondContact O-N 3.45Å; Q91-Q94 PolarHBondContact O-N 2.73Å; Q91-H95 WeakPolarHBondContact O-CB 3.38Å; Q91-H95 PolarHBondContact O-CD2 2.99Å; Q91-H95 PolarHBondContact O-N 2.87Å |
| 92 | C | 79.1 | Confident | 78.2 | Confident | 43 Ų | 43 | 75.6 Ų | 75.6 | 29% | 0.291 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.9 | -38.8 | 177.2 | -73.3 | 0 | 0 | 0 | 0 | 112.2 | T88 L89 E90 Q94 I96 | T88-C92 WeakPolarHBondContact O-CB 3.46Å; T88-C92 PolarHBondContact O-N 2.92Å; T88-C92 PolarHBondContact O-SG 2.98Å; L89-C92 PolarHBondContact O-N 3.4Å; E90-C92 PolarHBondContact O-N 3.22Å; C92-Q94 VanDerWaalsContact C-N 3.34Å; C92-I96 HydrophobicContact CB-CD1 4.25Å; C92-I96 PolarHBondContact O-N 3.15Å |
| 93 | L | 78.4 | Confident | 77.9 | Confident | 38 Ų | 38 | 80.2 Ų | 80.2 | 20% | 0.199 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -69.4 | -32.3 | 177.9 | -72.9 | 167.4 | 0 | 0 | 0 | 112.3 | L89 E90 Q91 R103 L106 N107 H110 | L89-L93 WeakPolarHBondContact O-CB 3.47Å; L89-L93 VanDerWaalsContact O-CG 3.24Å; L89-L93 WeakPolarHBondContact O-CG 3.43Å; L89-L93 PolarHBondContact O-N 3.36Å; E90-L93 PolarHBondContact O-N 2.9Å; Q91-L93 VanDerWaalsContact C-N 3.33Å; Q91-L93 PolarHBondContact O-N 3.45Å; L93-R103 HydrophobicContact CD2-CG 4.07Å; L93-L106 HydrophobicContact CD2-CB 3.91Å; L93-L106 HydrophobicContact CG-CB 4.4Å; L93-N107 VanDerWaalsContact CD1-OD1 3.23Å; L93-N107 WeakPolarHBondContact CD1-OD1 3.28Å; L93-N107 VanDerWaalsContact CD2-OD1 3.32Å; L93-N107 WeakPolarHBondContact CD2-OD1 3.23Å; L93-H110 HydrophobicContact CD1-CB 4.03Å |
| 94 | Q | 79.8 | Confident | 77.7 | Confident | 121 Ų | 121 | 87.2 Ų | 87.2 | 57% | 0.565 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -81.7 | -36.4 | -180 | -70.8 | 179.8 | 9.4 | 0 | 0 | 113.9 | E90 Q91 C92 | E90-Q94 VanDerWaalsContact O-CG 3.3Å; E90-Q94 WeakPolarHBondContact O-CG 3.32Å; E90-Q94 PolarHBondContact O-N 2.93Å; E90-Q94 PolarHBondContact OE1-NE2 3.41Å; Q91-Q94 PolarHBondContact O-N 2.73Å; C92-Q94 VanDerWaalsContact C-N 3.34Å |
| 95 | H | 70.4 | Confident | 77.4 | Confident | 146 Ų | 146 | 86 Ų | 86 | 68% | 0.676 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -114.2 | -17.3 | -165.2 | -66.4 | -67.2 | 0 | 0 | 0 | 116.1 | Q91 | Q91-H95 WeakPolarHBondContact O-CB 3.38Å; Q91-H95 PolarHBondContact O-CD2 2.99Å; Q91-H95 PolarHBondContact O-N 2.87Å |
| 96 | I | 68.1 | Low | 77.2 | Confident | 93 Ų | 93 | 86.7 Ų | 86.7 | 48% | 0.477 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -107.5 | 128.7 | -172.9 | -55.9 | 177.4 | 0 | 0 | 0 | 109.4 | C92 V98 | C92-I96 HydrophobicContact CB-CD1 4.25Å; C92-I96 PolarHBondContact O-N 3.15Å; I96-V98 VanDerWaalsContact C-N 3.28Å; I96-V98 HydrophobicContact CB-CG2 3.87Å; I96-V98 HydrophobicContact CG2-CG2 3.72Å; I96-V98 WeakPolarHBondContact O-CG2 3.48Å; I96-V98 PolarHBondContact O-N 3.43Å |
| 97 | P | 63.5 | Low | 77 | Confident | 131 Ų | 131 | 87.3 Ų | 87.3 | 85% | 0.851 | 44% | 0.438 | S | S | * | . | trans | -68.2 | 92.3 | 166.7 | 27.5 | -30.9 | 0 | 0 | 0 | 108.4 | ||||
| 98 | V | 62.8 | Low | 76.9 | Confident | 35 Ų | 35 | 90.6 Ų | 90.6 | 21% | 0.212 | 45% | 0.446 | C | S | . | . | trans | -94 | 138.2 | 179.8 | 178.9 | 0 | 0 | 0 | 0 | 109 | I96 E100 N102 R103 L106 | I96-V98 VanDerWaalsContact C-N 3.28Å; I96-V98 HydrophobicContact CB-CG2 3.87Å; I96-V98 HydrophobicContact CG2-CG2 3.72Å; I96-V98 WeakPolarHBondContact O-CG2 3.48Å; I96-V98 PolarHBondContact O-N 3.43Å; V98-E100 PolarHBondContact O-N 3.41Å; V98-N102 HydrophobicContact CG1-CB 3.29Å; V98-R103 HydrophobicContact CG1-CB 4.39Å; V98-L106 HydrophobicContact CG1-CD1 4.09Å; V98-L106 HydrophobicContact CG2-CD1 4.43Å | ||
| 99 | N | 73.4 | Confident | 77.1 | Confident | 100 Ų | 100 | 91.7 Ų | 91.7 | 54% | 0.535 | 44% | 0.443 | S | S | . | . | trans | -48.5 | 140.1 | 170 | 175.4 | 19.1 | 0 | 0 | 0 | 110.5 | E101 N102 R103 | N99-E101 VanDerWaalsContact C-N 3.26Å; N99-E101 PolarHBondContact O-N 3.21Å; N99-E101 VanDerWaalsContact O-N 3.16Å; N99-N102 HydrophobicContact CB-CB 4.43Å; N99-N102 CarbonylContact O-C 3.57Å; N99-N102 WeakPolarHBondContact O-CA 3.21Å; N99-N102 WeakPolarHBondContact O-CB 2.86Å; N99-N102 PolarHBondContact O-N 3.42Å; N99-R103 PolarHBondContact O-N 3.4Å | ||
| 100 | E | 72.9 | Confident | 77.3 | Confident | 82 Ų | 82 | 92 Ų | 92 | 38% | 0.383 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -56.2 | -36.4 | -172.7 | -168.5 | 57.9 | -162.4 | 0 | 0 | 113.7 | V98 R103 R104 | V98-E100 PolarHBondContact O-N 3.41Å; E100-R103 PolarHBondContact O-N 3.06Å; E100-R103 IonicContact OE1-CZ 3.58Å; E100-R103 IonicContact OE1-NE 3.75Å; E100-R103 IonicContact OE1-NH2 2.7Å; E100-R103 PolarHBondContact OE1-NH2 2.76Å; E100-R103 IonicContact OE2-CZ 3.28Å; E100-R103 VanDerWaalsContact OE2-CZ 3.28Å; E100-R103 IonicContact OE2-NE 2.82Å; E100-R103 PolarHBondContact OE2-NE 3.08Å; E100-R103 IonicContact OE2-NH2 2.91Å; E100-R103 PolarHBondContact OE2-NH2 3.18Å; E100-R104 WeakPolarHBondContact O-CG 3.38Å; E100-R104 PolarHBondContact O-N 3.5Å |
| 101 | E | 73.2 | Confident | 77.3 | Confident | 144 Ų | 144 | 92 Ų | 92 | 67% | 0.673 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -66.4 | -44.4 | 174.7 | -175.7 | 172.1 | -165.2 | 0 | 0 | 112.3 | N99 R103 R104 S105 | N99-E101 VanDerWaalsContact C-N 3.26Å; N99-E101 PolarHBondContact O-N 3.21Å; N99-E101 VanDerWaalsContact O-N 3.16Å; E101-R103 VanDerWaalsContact C-N 3.3Å; E101-R103 PolarHBondContact O-N 3.25Å; E101-R104 PolarHBondContact O-N 3.3Å; E101-S105 PolarHBondContact O-N 3.23Å; E101-S105 VanDerWaalsContact O-N 3.16Å |
| 102 | N | 75.1 | Confident | 77.4 | Confident | 85 Ų | 85 | 90.4 Ų | 90.4 | 46% | 0.455 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.4 | -35.1 | 175.4 | -71.4 | -20.9 | 0 | 0 | 0 | 111.1 | V98 N99 R104 S105 L106 | V98-N102 HydrophobicContact CG1-CB 3.29Å; N99-N102 HydrophobicContact CB-CB 4.43Å; N99-N102 CarbonylContact O-C 3.57Å; N99-N102 WeakPolarHBondContact O-CA 3.21Å; N99-N102 WeakPolarHBondContact O-CB 2.86Å; N99-N102 PolarHBondContact O-N 3.42Å; N102-R104 VanDerWaalsContact C-N 3.35Å; N102-R104 PolarHBondContact O-N 2.94Å; N102-S105 PolarHBondContact O-N 3.02Å; N102-S105 PolarHBondContact O-OG 3.49Å; N102-L106 WeakPolarHBondContact O-CB 3.36Å; N102-L106 WeakPolarHBondContact O-CG 3.25Å; N102-L106 PolarHBondContact O-N 2.84Å |
| 103 | R | 77.8 | Confident | 77.7 | Confident | 104 Ų | 104 | 88.6 Ų | 88.6 | 39% | 0.392 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.4 | -40.8 | 176.9 | -163.2 | 170.1 | 70.6 | 94.3 | -1.8 | 111.2 | L93 V98 N99 E100 E101 N107 | L93-R103 HydrophobicContact CD2-CG 4.07Å; V98-R103 HydrophobicContact CG1-CB 4.39Å; N99-R103 PolarHBondContact O-N 3.4Å; E100-R103 PolarHBondContact O-N 3.06Å; E100-R103 IonicContact OE1-CZ 3.58Å; E100-R103 IonicContact OE1-NE 3.75Å; E100-R103 IonicContact OE1-NH2 2.7Å; E100-R103 PolarHBondContact OE1-NH2 2.76Å; E100-R103 IonicContact OE2-CZ 3.28Å; E100-R103 VanDerWaalsContact OE2-CZ 3.28Å; E100-R103 IonicContact OE2-NE 2.82Å; E100-R103 PolarHBondContact OE2-NE 3.08Å; E100-R103 IonicContact OE2-NH2 2.91Å; E100-R103 PolarHBondContact OE2-NH2 3.18Å; E101-R103 VanDerWaalsContact C-N 3.3Å; E101-R103 PolarHBondContact O-N 3.25Å; R103-N107 VanDerWaalsContact O-CB 3.31Å; R103-N107 WeakPolarHBondContact O-CB 3.25Å; R103-N107 PolarHBondContact O-N 3.47Å; R103-N107 PolarHBondContact O-ND2 3.08Å |
| 104 | R | 82.9 | Confident | 78.1 | Confident | 166 Ų | 166 | 88.5 Ų | 88.5 | 63% | 0.626 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -64.5 | -42.7 | 175.6 | -72 | 174.9 | -173.3 | -174.3 | 1.8 | 112.6 | E100 E101 N102 R108 | E100-R104 WeakPolarHBondContact O-CG 3.38Å; E100-R104 PolarHBondContact O-N 3.5Å; E101-R104 PolarHBondContact O-N 3.3Å; N102-R104 VanDerWaalsContact C-N 3.35Å; N102-R104 PolarHBondContact O-N 2.94Å; R104-R108 PolarHBondContact O-N 3.44Å |
| 105 | S | 80.8 | Confident | 78.4 | Confident | 64 Ų | 64 | 85.2 Ų | 85.2 | 45% | 0.448 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.8 | -41.1 | 179.1 | 64 | 0 | 0 | 0 | 0 | 112.1 | E101 N102 R108 R109 | E101-S105 PolarHBondContact O-N 3.23Å; E101-S105 VanDerWaalsContact O-N 3.16Å; N102-S105 PolarHBondContact O-N 3.02Å; N102-S105 PolarHBondContact O-OG 3.49Å; S105-R108 PolarHBondContact O-N 2.89Å; S105-R109 PolarHBondContact O-N 3.02Å; S105-R109 VanDerWaalsContact O-N 3.09Å |
| 106 | L | 80.1 | Confident | 79.1 | Confident | 45 Ų | 45 | 80.2 Ų | 80.2 | 24% | 0.236 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 174.3 | -65.9 | 170.7 | 0 | 0 | 0 | 111.8 | L89 L93 V98 N102 R108 R109 H110 | L89-L106 HydrophobicContact CD2-CB 4.36Å; L89-L106 HydrophobicContact CD2-CD2 3.34Å; L89-L106 HydrophobicContact CD2-CG 4.39Å; L93-L106 HydrophobicContact CD2-CB 3.91Å; L93-L106 HydrophobicContact CG-CB 4.4Å; V98-L106 HydrophobicContact CG1-CD1 4.09Å; V98-L106 HydrophobicContact CG2-CD1 4.43Å; N102-L106 WeakPolarHBondContact O-CB 3.36Å; N102-L106 WeakPolarHBondContact O-CG 3.25Å; N102-L106 PolarHBondContact O-N 2.84Å; L106-R108 VanDerWaalsContact C-N 3.31Å; L106-R108 PolarHBondContact O-N 3Å; L106-R109 PolarHBondContact O-N 2.86Å; L106-H110 WeakPolarHBondContact O-CB 3.4Å; L106-H110 PolarHBondContact O-N 3.25Å |
| 107 | N | 82.1 | Confident | 80 | Confident | 70 Ų | 70 | 76.5 Ų | 76.5 | 37% | 0.374 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.3 | -41 | 175.6 | -86.8 | -30.4 | 0 | 0 | 0 | 112.5 | L93 R103 H110 A111 | L93-N107 VanDerWaalsContact CD1-OD1 3.23Å; L93-N107 WeakPolarHBondContact CD1-OD1 3.28Å; L93-N107 VanDerWaalsContact CD2-OD1 3.32Å; L93-N107 WeakPolarHBondContact CD2-OD1 3.23Å; R103-N107 VanDerWaalsContact O-CB 3.31Å; R103-N107 WeakPolarHBondContact O-CB 3.25Å; R103-N107 PolarHBondContact O-N 3.47Å; R103-N107 PolarHBondContact O-ND2 3.08Å; N107-H110 PolarHBondContact O-N 3.32Å; N107-A111 WeakPolarHBondContact O-CB 3.42Å; N107-A111 PolarHBondContact O-N 3.39Å |
| 108 | R | 85.3 | Confident | 81.1 | Confident | 177 Ų | 177 | 72.6 Ų | 72.6 | 67% | 0.668 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.6 | -48.4 | 176.3 | -174 | -176.7 | -61.8 | 176.4 | 1 | 110.9 | R104 S105 L106 H110 A111 E112 | R104-R108 PolarHBondContact O-N 3.44Å; S105-R108 PolarHBondContact O-N 2.89Å; L106-R108 VanDerWaalsContact C-N 3.31Å; L106-R108 PolarHBondContact O-N 3Å; R108-H110 VanDerWaalsContact C-N 3.32Å; R108-H110 PolarHBondContact O-N 2.61Å; R108-A111 PolarHBondContact O-N 3.11Å; R108-E112 WeakPolarHBondContact O-CG 3.38Å; R108-E112 PolarHBondContact O-N 3.09Å |
| 109 | R | 86.8 | Confident | 82.2 | Confident | 84 Ų | 84 | 73.8 Ų | 73.8 | 32% | 0.317 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 178.5 | -174 | 61.5 | 174.2 | 169.5 | 4.6 | 111.9 | E85 L89 S105 L106 E112 L113 | E85-R109 IonicContact OE1-CZ 3.33Å; E85-R109 IonicContact OE1-NE 3.24Å; E85-R109 PolarHBondContact OE1-NE 2.75Å; E85-R109 IonicContact OE1-NH2 3.51Å; E85-R109 PolarHBondContact OE1-NH2 2.88Å; E85-R109 IonicContact OE2-NH2 3.48Å; L89-R109 HydrophobicContact CD1-CB 4.05Å; L89-R109 HydrophobicContact CD1-CG 3.66Å; S105-R109 PolarHBondContact O-N 3.02Å; S105-R109 VanDerWaalsContact O-N 3.09Å; L106-R109 PolarHBondContact O-N 2.86Å; R109-E112 IonicContact NH1-OE2 2.79Å; R109-E112 PolarHBondContact NH1-OE2 2.98Å; R109-E112 WeakPolarHBondContact O-CB 3.41Å; R109-E112 PolarHBondContact O-N 3.28Å; R109-L113 HydrophobicContact CG-CD1 4.29Å; R109-L113 WeakPolarHBondContact O-CG 3.32Å; R109-L113 PolarHBondContact O-N 3.47Å |
| 110 | H | 84.9 | Confident | 82.9 | Confident | 23 Ų | 23 | 70.3 Ų | 70.3 | 11% | 0.106 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 176.2 | -170.4 | -101.4 | 0 | 0 | 0 | 111.6 | Y86 L89 E90 L93 L106 N107 R108 E112 L113 A114 | Y86-H110 AromaticContact CD2-CD2 3.62Å; Y86-H110 AromaticContact CD2-NE2 3.55Å; Y86-H110 AromaticContact CE1-NE2 3.9Å; Y86-H110 AromaticContact CE2-CD2 3.55Å; Y86-H110 AromaticContact CE2-CE1 3.33Å; Y86-H110 WeakPolarHBondContact CE2-CE1 3.4Å; Y86-H110 AromaticContact CE2-ND1 3.88Å; Y86-H110 AromaticContact CE2-NE2 3.08Å; Y86-H110 WeakPolarHBondContact CE2-NE2 3.33Å; Y86-H110 AromaticContact CZ-CE1 3.47Å; Y86-H110 VanDerWaalsContact CZ-CE1 3.47Å; Y86-H110 AromaticContact CZ-NE2 3.26Å; Y86-H110 VanDerWaalsContact CZ-NE2 3.26Å; Y86-H110 PolarHBondContact OH-CE1 3.02Å; L89-H110 HydrophobicContact CB-CB 4.46Å; L89-H110 HydrophobicContact CD1-CB 4.47Å; E90-H110 IonicContact OE2-CE1 2.92Å; E90-H110 PolarHBondContact OE2-CE1 3.01Å; E90-H110 IonicContact OE2-NE2 3.05Å; E90-H110 PolarHBondContact OE2-NE2 3.43Å; L93-H110 HydrophobicContact CD1-CB 4.03Å; L106-H110 WeakPolarHBondContact O-CB 3.4Å; L106-H110 PolarHBondContact O-N 3.25Å; N107-H110 PolarHBondContact O-N 3.32Å; R108-H110 VanDerWaalsContact C-N 3.32Å; R108-H110 PolarHBondContact O-N 2.61Å; H110-E112 PolarHBondContact O-N 3.27Å; H110-L113 PolarHBondContact O-N 3.48Å; H110-A114 PolarHBondContact O-N 3.38Å |
| 111 | A | 84.8 | Confident | 83.7 | Confident | 65 Ų | 65 | 70.9 Ų | 70.9 | 54% | 0.537 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.3 | -36 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | N107 R108 L113 P115 | N107-A111 WeakPolarHBondContact O-CB 3.42Å; N107-A111 PolarHBondContact O-N 3.39Å; R108-A111 PolarHBondContact O-N 3.11Å; A111-L113 VanDerWaalsContact C-N 3.32Å; A111-P115 WeakPolarHBondContact O-CD 3.43Å |
| 112 | E | 84.4 | Confident | 84.6 | Confident | 83 Ų | 83 | 69.7 Ų | 69.7 | 39% | 0.388 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.4 | -36 | 173.6 | -72.5 | 170.9 | -169.1 | 0 | 0 | 112.5 | R108 R109 H110 | R108-E112 WeakPolarHBondContact O-CG 3.38Å; R108-E112 PolarHBondContact O-N 3.09Å; R109-E112 IonicContact NH1-OE2 2.79Å; R109-E112 PolarHBondContact NH1-OE2 2.98Å; R109-E112 WeakPolarHBondContact O-CB 3.41Å; R109-E112 PolarHBondContact O-N 3.28Å; H110-E112 PolarHBondContact O-N 3.27Å |
| 113 | L | 84 | Confident | 85.2 | Confident | 5 Ų | 5 | 67.8 Ų | 67.8 | 3% | 0.026 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -84.5 | -25.6 | -177.7 | -69.3 | 178.3 | 0 | 0 | 0 | 113.6 | L82 E85 Y86 L89 R109 H110 A111 L116 A117 | L82-L113 HydrophobicContact CB-CD2 4.46Å; L82-L113 HydrophobicContact CD2-CD2 3.92Å; E85-L113 HydrophobicContact CB-CD1 4.07Å; E85-L113 HydrophobicContact CG-CD1 3.76Å; Y86-L113 HydrophobicContact CD2-CB 3.83Å; Y86-L113 HydrophobicContact CG-CB 4.48Å; L89-L113 HydrophobicContact CD1-CD1 3.94Å; R109-L113 HydrophobicContact CG-CD1 4.29Å; R109-L113 WeakPolarHBondContact O-CG 3.32Å; R109-L113 PolarHBondContact O-N 3.47Å; H110-L113 PolarHBondContact O-N 3.48Å; A111-L113 VanDerWaalsContact C-N 3.32Å; L113-L116 HydrophobicContact CD2-CD1 4.31Å; L113-L116 WeakPolarHBondContact O-CB 3.38Å; L113-L116 PolarHBondContact O-N 2.97Å; L113-A117 PolarHBondContact O-N 2.69Å |
| 114 | A | 87.2 | Confident | 85.7 | Confident | 35 Ų | 35 | 66.4 Ų | 66.4 | 29% | 0.289 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -47.1 | -51.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y86 H110 L116 A117 A118 | Y86-A114 HydrophobicContact CE2-CB 3.86Å; H110-A114 PolarHBondContact O-N 3.38Å; A114-L116 VanDerWaalsContact C-N 3.29Å; A114-L116 PolarHBondContact O-N 3.48Å; A114-A117 PolarHBondContact O-N 3.21Å; A114-A118 PolarHBondContact O-N 2.97Å |
| 115 | P | 86 | Confident | 86.1 | Confident | 52 Ų | 52 | 63.4 Ų | 63.4 | 34% | 0.338 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.2 | -30.3 | 179.1 | 26.1 | -35.2 | 0 | 0 | 0 | 113 | A111 I119 | A111-P115 WeakPolarHBondContact O-CD 3.43Å; P115-I119 VanDerWaalsContact O-CG1 3.31Å; P115-I119 WeakPolarHBondContact O-CG1 3.31Å; P115-I119 PolarHBondContact O-N 3.47Å; P115-I119 VanDerWaalsContact O-N 3.13Å |
| 116 | L | 85.6 | Confident | 86.6 | Confident | 41 Ų | 41 | 64.3 Ų | 64.3 | 22% | 0.215 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -72.8 | -39.3 | 177.7 | -67 | 172.6 | 0 | 0 | 0 | 111.5 | L9 L82 L113 A114 I119 Y120 | L9-L116 HydrophobicContact CD2-CD2 3.78Å; L82-L116 HydrophobicContact CD1-CD1 4.04Å; L113-L116 HydrophobicContact CD2-CD1 4.31Å; L113-L116 WeakPolarHBondContact O-CB 3.38Å; L113-L116 PolarHBondContact O-N 2.97Å; A114-L116 VanDerWaalsContact C-N 3.29Å; A114-L116 PolarHBondContact O-N 3.48Å; L116-I119 PolarHBondContact O-N 3.29Å; L116-Y120 WeakPolarHBondContact O-CB 3.14Å; L116-Y120 PolarHBondContact O-N 2.94Å |
| 117 | A | 87.1 | Confident | 87 | Confident | 16 Ų | 16 | 65.9 Ų | 65.9 | 13% | 0.132 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y86 L113 A114 Y120 Q121 | Y86-A117 HydrophobicContact CD1-CB 3.89Å; Y86-A117 HydrophobicContact CD2-CB 4.32Å; Y86-A117 HydrophobicContact CE1-CB 4.28Å; Y86-A117 HydrophobicContact CG-CB 3.93Å; L113-A117 PolarHBondContact O-N 2.69Å; A114-A117 PolarHBondContact O-N 3.21Å; A117-Y120 PolarHBondContact O-N 3.14Å; A117-Q121 WeakPolarHBondContact O-CB 3.17Å; A117-Q121 PolarHBondContact O-N 3.3Å |
| 118 | A | 85.9 | Confident | 87.5 | Confident | 49 Ų | 49 | 67.9 Ų | 67.9 | 41% | 0.405 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.1 | -49 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A114 Y120 Q121 E122 | A114-A118 PolarHBondContact O-N 2.97Å; A118-Y120 VanDerWaalsContact C-N 3.31Å; A118-Y120 PolarHBondContact O-N 3.16Å; A118-Q121 WeakPolarHBondContact O-CB 3.4Å; A118-Q121 PolarHBondContact O-N 3.25Å; A118-E122 WeakPolarHBondContact O-CG 3.42Å; A118-E122 PolarHBondContact O-N 3.43Å |
| 119 | I | 86.6 | Confident | 87.8 | Confident | 60 Ų | 60 | 61.7 Ų | 61.7 | 31% | 0.308 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.6 | -40.8 | 176.8 | -68.1 | 165.7 | 0 | 0 | 0 | 111.1 | P115 L116 Q121 E122 I123 | P115-I119 VanDerWaalsContact O-CG1 3.31Å; P115-I119 WeakPolarHBondContact O-CG1 3.31Å; P115-I119 PolarHBondContact O-N 3.47Å; P115-I119 VanDerWaalsContact O-N 3.13Å; L116-I119 PolarHBondContact O-N 3.29Å; I119-Q121 VanDerWaalsContact C-N 3.34Å; I119-Q121 PolarHBondContact O-N 3.07Å; I119-E122 PolarHBondContact O-N 3.07Å; I119-I123 HydrophobicContact CG2-CD1 3.91Å; I119-I123 HydrophobicContact CG2-CG1 4.48Å; I119-I123 VanDerWaalsContact O-CG1 3.28Å; I119-I123 WeakPolarHBondContact O-CG1 3.4Å; I119-I123 PolarHBondContact O-N 3.37Å; I119-I123 VanDerWaalsContact O-N 3.08Å |
| 120 | Y | 88.2 | Confident | 87.9 | Confident | 27 Ų | 27 | 60.9 Ų | 60.9 | 11% | 0.106 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.3 | -45.7 | 178.2 | -175.1 | -113.6 | 0 | 0 | 0 | 111.4 | W70 M79 L116 A117 A118 I123 Q124 | W70-Y120 AromaticContact CH2-CD2 3.59Å; W70-Y120 HydrophobicContact CH2-CD2 3.59Å; W70-Y120 AromaticContact CH2-CE2 3.54Å; W70-Y120 HydrophobicContact CH2-CE2 3.54Å; W70-Y120 HydrophobicContact CZ2-CE2 4.24Å; W70-Y120 HydrophobicContact CZ3-CD2 4.34Å; M79-Y120 HydrophobicContact CB-CD2 3.45Å; M79-Y120 VanDerWaalsContact CB-CD2 3.45Å; M79-Y120 HydrophobicContact CB-CE2 3.61Å; M79-Y120 HydrophobicContact CB-CG 4.36Å; M79-Y120 HydrophobicContact CE-CD2 4.37Å; M79-Y120 HydrophobicContact CG-CD2 4.41Å; L116-Y120 WeakPolarHBondContact O-CB 3.14Å; L116-Y120 PolarHBondContact O-N 2.94Å; A117-Y120 PolarHBondContact O-N 3.14Å; A118-Y120 VanDerWaalsContact C-N 3.31Å; A118-Y120 PolarHBondContact O-N 3.16Å; Y120-I123 PolarHBondContact O-N 3.42Å; Y120-Q124 HydrophobicContact CE1-CG 4.28Å; Y120-Q124 WeakPolarHBondContact O-CG 3.4Å; Y120-Q124 PolarHBondContact O-N 2.91Å; Y120-Q124 VanDerWaalsContact O-N 3.09Å |
| 121 | Q | 89.8 | Confident | 88.2 | Confident | 93 Ų | 93 | 66.5 Ų | 66.5 | 44% | 0.435 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.2 | -47.5 | 176.7 | -177.4 | 64.2 | 29.2 | 0 | 0 | 111.8 | A117 A118 I119 I123 Q124 E125 | A117-Q121 WeakPolarHBondContact O-CB 3.17Å; A117-Q121 PolarHBondContact O-N 3.3Å; A118-Q121 WeakPolarHBondContact O-CB 3.4Å; A118-Q121 PolarHBondContact O-N 3.25Å; I119-Q121 VanDerWaalsContact C-N 3.34Å; I119-Q121 PolarHBondContact O-N 3.07Å; Q121-I123 VanDerWaalsContact C-N 3.25Å; Q121-I123 PolarHBondContact O-N 2.97Å; Q121-Q124 PolarHBondContact O-N 3.09Å; Q121-Q124 VanDerWaalsContact O-N 3.11Å; Q121-E125 WeakPolarHBondContact CG-OE1 3.45Å; Q121-E125 PolarHBondContact NE2-OE1 3.34Å; Q121-E125 WeakPolarHBondContact O-CG 3.44Å; Q121-E125 PolarHBondContact O-N 3.02Å |
| 122 | E | 90.9 | Very high | 88.6 | Confident | 119 Ų | 119 | 68.3 Ų | 68.3 | 56% | 0.556 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -57.6 | -38.8 | 177.1 | -73.3 | 175.2 | -162 | 0 | 0 | 112.2 | A118 I119 T126 | A118-E122 WeakPolarHBondContact O-CG 3.42Å; A118-E122 PolarHBondContact O-N 3.43Å; I119-E122 PolarHBondContact O-N 3.07Å; E122-T126 WeakPolarHBondContact O-CB 3.28Å; E122-T126 PolarHBondContact O-N 2.9Å; E122-T126 PolarHBondContact O-OG1 3.06Å |
| 123 | I | 87.4 | Confident | 88.9 | Confident | 46 Ų | 46 | 69.4 Ų | 69.4 | 24% | 0.236 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.3 | -44.5 | 177.1 | -65 | 164.3 | 0 | 0 | 0 | 110.6 | W70 I119 Y120 Q121 E125 T126 E127 | W70-I123 HydrophobicContact CD2-CD1 4.45Å; W70-I123 HydrophobicContact CD2-CG2 3.87Å; W70-I123 HydrophobicContact CE3-CD1 3.93Å; W70-I123 HydrophobicContact CE3-CG2 4.36Å; W70-I123 HydrophobicContact CG-CG2 4.43Å; W70-I123 HydrophobicContact CH2-CB 4.21Å; W70-I123 HydrophobicContact CH2-CD1 3.95Å; W70-I123 HydrophobicContact CH2-CG2 3.77Å; W70-I123 HydrophobicContact CZ2-CB 4.15Å; W70-I123 HydrophobicContact CZ2-CG2 3.28Å; W70-I123 HydrophobicContact CZ3-CD1 3.64Å; W70-I123 HydrophobicContact CZ3-CG2 4.3Å; I119-I123 HydrophobicContact CG2-CD1 3.91Å; I119-I123 HydrophobicContact CG2-CG1 4.48Å; I119-I123 VanDerWaalsContact O-CG1 3.28Å; I119-I123 WeakPolarHBondContact O-CG1 3.4Å; I119-I123 PolarHBondContact O-N 3.37Å; I119-I123 VanDerWaalsContact O-N 3.08Å; Y120-I123 PolarHBondContact O-N 3.42Å; Q121-I123 VanDerWaalsContact C-N 3.25Å; Q121-I123 PolarHBondContact O-N 2.97Å; I123-E125 PolarHBondContact O-N 3.27Å; I123-T126 PolarHBondContact O-N 3.29Å; I123-E127 HydrophobicContact CG2-CG 4.37Å; I123-E127 WeakPolarHBondContact O-CG 3.32Å; I123-E127 PolarHBondContact O-N 3.34Å |
| 124 | Q | 89.9 | Confident | 89.1 | Confident | 74 Ų | 74 | 74.1 Ų | 74.1 | 35% | 0.346 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 178.8 | -68.5 | -175.6 | -68.6 | 0 | 0 | 111.8 | Y120 Q121 T126 E127 Q128 | Y120-Q124 HydrophobicContact CE1-CG 4.28Å; Y120-Q124 WeakPolarHBondContact O-CG 3.4Å; Y120-Q124 PolarHBondContact O-N 2.91Å; Y120-Q124 VanDerWaalsContact O-N 3.09Å; Q121-Q124 PolarHBondContact O-N 3.09Å; Q121-Q124 VanDerWaalsContact O-N 3.11Å; Q124-T126 VanDerWaalsContact C-N 3.32Å; Q124-T126 PolarHBondContact O-N 3.29Å; Q124-E127 PolarHBondContact O-N 3.45Å; Q124-Q128 PolarHBondContact O-N 3.42Å |
| 125 | E | 91.6 | Very high | 89.3 | Confident | 104 Ų | 104 | 74.2 Ų | 74.2 | 49% | 0.486 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 176.5 | -71 | 171.4 | -172 | 0 | 0 | 111.6 | Q121 I123 Q128 A129 | Q121-E125 WeakPolarHBondContact CG-OE1 3.45Å; Q121-E125 PolarHBondContact NE2-OE1 3.34Å; Q121-E125 WeakPolarHBondContact O-CG 3.44Å; Q121-E125 PolarHBondContact O-N 3.02Å; I123-E125 PolarHBondContact O-N 3.27Å; E125-Q128 PolarHBondContact O-N 2.97Å; E125-A129 WeakPolarHBondContact O-CB 3.26Å; E125-A129 PolarHBondContact O-N 3.01Å |
| 126 | T | 89.4 | Confident | 89.3 | Confident | 82 Ų | 82 | 76.4 Ų | 76.4 | 50% | 0.503 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 176.7 | -55.7 | 0 | 0 | 0 | 0 | 111.8 | E122 I123 Q124 A129 I130 | E122-T126 WeakPolarHBondContact O-CB 3.28Å; E122-T126 PolarHBondContact O-N 2.9Å; E122-T126 PolarHBondContact O-OG1 3.06Å; I123-T126 PolarHBondContact O-N 3.29Å; Q124-T126 VanDerWaalsContact C-N 3.32Å; Q124-T126 PolarHBondContact O-N 3.29Å; T126-A129 PolarHBondContact O-N 3.28Å; T126-I130 HydrophobicContact CG2-CD1 4.15Å; T126-I130 VanDerWaalsContact O-CG1 3.28Å; T126-I130 WeakPolarHBondContact O-CG1 3.23Å; T126-I130 PolarHBondContact O-N 3.45Å |
| 127 | E | 88.8 | Confident | 89.1 | Confident | 79 Ų | 79 | 78.2 Ų | 78.2 | 37% | 0.369 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 176.3 | -75.3 | -172.5 | 135.8 | 0 | 0 | 111.6 | W70 I123 Q124 I130 E131 | W70-E127 VanDerWaalsContact CD1-OE1 3.27Å; W70-E127 PolarHBondContact NE1-OE1 2.93Å; W70-E127 PolarHBondContact NE1-OE2 3.5Å; I123-E127 HydrophobicContact CG2-CG 4.37Å; I123-E127 WeakPolarHBondContact O-CG 3.32Å; I123-E127 PolarHBondContact O-N 3.34Å; Q124-E127 PolarHBondContact O-N 3.45Å; E127-I130 PolarHBondContact O-N 2.77Å; E127-E131 PolarHBondContact O-N 2.96Å |
| 128 | Q | 92.6 | Very high | 88.9 | Confident | 112 Ų | 112 | 83.8 Ų | 83.8 | 52% | 0.523 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 176.5 | -176.1 | -180 | -17.8 | 0 | 0 | 111.5 | Q124 E125 I130 E131 E132 | Q124-Q128 PolarHBondContact O-N 3.42Å; E125-Q128 PolarHBondContact O-N 2.97Å; Q128-I130 VanDerWaalsContact C-N 3.28Å; Q128-I130 PolarHBondContact O-N 2.64Å; Q128-E131 PolarHBondContact O-N 3.32Å; Q128-E131 VanDerWaalsContact O-N 3.13Å; Q128-E132 PolarHBondContact NE2-OE1 3.41Å; Q128-E132 WeakPolarHBondContact O-CG 3.5Å; Q128-E132 PolarHBondContact O-N 2.92Å |
| 129 | A | 92.4 | Very high | 88.5 | Confident | 46 Ų | 46 | 88.8 Ų | 88.8 | 38% | 0.38 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.4 | -38 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E125 T126 L133 | E125-A129 WeakPolarHBondContact O-CB 3.26Å; E125-A129 PolarHBondContact O-N 3.01Å; T126-A129 PolarHBondContact O-N 3.28Å; A129-L133 WeakPolarHBondContact O-CB 3.43Å; A129-L133 VanDerWaalsContact O-CG 3.27Å; A129-L133 WeakPolarHBondContact O-CG 3.39Å; A129-L133 PolarHBondContact O-N 3.13Å; A129-L133 VanDerWaalsContact O-N 3.08Å |
| 130 | I | 88.2 | Confident | 87.7 | Confident | 68 Ų | 68 | 90 Ų | 90 | 35% | 0.349 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.5 | -46 | 174.3 | -69.7 | 165.6 | 0 | 0 | 0 | 110.7 | T126 E127 Q128 E132 L133 E134 | T126-I130 HydrophobicContact CG2-CD1 4.15Å; T126-I130 VanDerWaalsContact O-CG1 3.28Å; T126-I130 WeakPolarHBondContact O-CG1 3.23Å; T126-I130 PolarHBondContact O-N 3.45Å; E127-I130 PolarHBondContact O-N 2.77Å; Q128-I130 VanDerWaalsContact C-N 3.28Å; Q128-I130 PolarHBondContact O-N 2.64Å; I130-E132 VanDerWaalsContact C-N 3.34Å; I130-E132 PolarHBondContact O-N 3.08Å; I130-L133 PolarHBondContact O-N 3.46Å; I130-E134 HydrophobicContact CG2-CG 4.35Å; I130-E134 WeakPolarHBondContact O-CB 3.5Å; I130-E134 WeakPolarHBondContact O-CG 3.46Å; I130-E134 PolarHBondContact O-N 2.92Å |
| 131 | E | 91.4 | Very high | 86.4 | Confident | 140 Ų | 140 | 97.6 Ų | 97.6 | 65% | 0.654 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61.9 | -41.5 | 179.5 | -175.5 | 173.4 | -172.8 | 0 | 0 | 112.1 | E127 Q128 E134 S135 | E127-E131 PolarHBondContact O-N 2.96Å; Q128-E131 PolarHBondContact O-N 3.32Å; Q128-E131 VanDerWaalsContact O-N 3.13Å; E131-E134 PolarHBondContact O-N 3.36Å; E131-S135 WeakPolarHBondContact O-CB 3.37Å; E131-S135 PolarHBondContact O-N 2.94Å |
| 132 | E | 93.1 | Very high | 84.9 | Confident | 103 Ų | 103 | 98.2 Ų | 98.2 | 48% | 0.481 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.4 | -47.1 | 175.5 | -73.5 | 176.4 | -168.2 | 0 | 0 | 111.6 | Q128 I130 S135 M136 | Q128-E132 PolarHBondContact NE2-OE1 3.41Å; Q128-E132 WeakPolarHBondContact O-CG 3.5Å; Q128-E132 PolarHBondContact O-N 2.92Å; I130-E132 VanDerWaalsContact C-N 3.34Å; I130-E132 PolarHBondContact O-N 3.08Å; E132-S135 WeakPolarHBondContact O-CB 3.27Å; E132-S135 PolarHBondContact O-N 2.9Å; E132-M136 WeakPolarHBondContact O-CG 3.28Å; E132-M136 PolarHBondContact O-N 3.25Å |
| 133 | L | 91.5 | Very high | 83.2 | Confident | 106 Ų | 106 | 99.2 Ų | 99.2 | 56% | 0.555 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.2 | -44.4 | 176.5 | -73 | 172.2 | 0 | 0 | 0 | 112.1 | A129 I130 S135 M136 C137 | A129-L133 WeakPolarHBondContact O-CB 3.43Å; A129-L133 VanDerWaalsContact O-CG 3.27Å; A129-L133 WeakPolarHBondContact O-CG 3.39Å; A129-L133 PolarHBondContact O-N 3.13Å; A129-L133 VanDerWaalsContact O-N 3.08Å; I130-L133 PolarHBondContact O-N 3.46Å; L133-S135 VanDerWaalsContact C-N 3.27Å; L133-S135 PolarHBondContact O-N 2.9Å; L133-M136 PolarHBondContact O-N 2.94Å; L133-C137 PolarHBondContact O-N 3.05Å; L133-C137 PolarHBondContact O-SG 3.06Å; L133-C137 VanDerWaalsContact O-SG 3.36Å |
| 134 | E | 88.1 | Confident | 81.6 | Confident | 105 Ų | 105 | 104 Ų | 104 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.6 | -38 | 176.2 | -75.2 | -175.2 | -177.6 | 0 | 0 | 111.8 | I130 E131 K138 | I130-E134 HydrophobicContact CG2-CG 4.35Å; I130-E134 WeakPolarHBondContact O-CB 3.5Å; I130-E134 WeakPolarHBondContact O-CG 3.46Å; I130-E134 PolarHBondContact O-N 2.92Å; E131-E134 PolarHBondContact O-N 3.36Å; E134-K138 VanDerWaalsContact O-CG 3.28Å; E134-K138 WeakPolarHBondContact O-CG 3.32Å; E134-K138 PolarHBondContact O-N 3.39Å |
| 135 | S | 90.9 | Very high | 79.8 | Confident | 37 Ų | 37 | 105 Ų | 105 | 26% | 0.259 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 175.7 | -170.7 | 0 | 0 | 0 | 0 | 111.8 | E131 E132 L133 K138 R139 | E131-S135 WeakPolarHBondContact O-CB 3.37Å; E131-S135 PolarHBondContact O-N 2.94Å; E132-S135 WeakPolarHBondContact O-CB 3.27Å; E132-S135 PolarHBondContact O-N 2.9Å; L133-S135 VanDerWaalsContact C-N 3.27Å; L133-S135 PolarHBondContact O-N 2.9Å; S135-K138 PolarHBondContact O-N 2.93Å; S135-R139 WeakPolarHBondContact O-CG 3.39Å; S135-R139 PolarHBondContact O-N 3.04Å; S135-R139 VanDerWaalsContact OG-CZ 3.31Å; S135-R139 PolarHBondContact OG-NH2 2.97Å; S135-R139 VanDerWaalsContact OG-NH2 3.14Å |
| 136 | M | 86.3 | Confident | 77.6 | Confident | 98 Ų | 98 | 101.8 Ų | 101.8 | 48% | 0.483 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.8 | -50.2 | 174.1 | -70 | 172.9 | 63.5 | 0 | 0 | 111.6 | E132 L133 K138 R139 D140 | E132-M136 WeakPolarHBondContact O-CG 3.28Å; E132-M136 PolarHBondContact O-N 3.25Å; L133-M136 PolarHBondContact O-N 2.94Å; M136-K138 VanDerWaalsContact C-N 3.26Å; M136-K138 PolarHBondContact O-N 3.26Å; M136-R139 WeakPolarHBondContact O-CB 3.39Å; M136-R139 PolarHBondContact O-N 3.23Å; M136-D140 PolarHBondContact O-N 3.32Å |
| 137 | C | 81.7 | Confident | 75.7 | Confident | 78 Ų | 78 | 105 Ų | 105 | 53% | 0.527 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.3 | -34.5 | 178.4 | -67.9 | 0 | 0 | 0 | 0 | 113 | L133 R141 | L133-C137 PolarHBondContact O-N 3.05Å; L133-C137 PolarHBondContact O-SG 3.06Å; L133-C137 VanDerWaalsContact O-SG 3.36Å; C137-R141 VanDerWaalsContact O-CB 3.3Å; C137-R141 WeakPolarHBondContact O-CB 3.3Å; C137-R141 PolarHBondContact O-N 3.01Å |
| 138 | K | 81.7 | Confident | 73.8 | Confident | 134 Ų | 134 | 104.2 Ų | 104.2 | 58% | 0.583 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.9 | -43.4 | 173.8 | -75.4 | 167.6 | -173.4 | 165.3 | 0 | 111.3 | E134 S135 M136 R141 V142 | E134-K138 VanDerWaalsContact O-CG 3.28Å; E134-K138 WeakPolarHBondContact O-CG 3.32Å; E134-K138 PolarHBondContact O-N 3.39Å; S135-K138 PolarHBondContact O-N 2.93Å; M136-K138 VanDerWaalsContact C-N 3.26Å; M136-K138 PolarHBondContact O-N 3.26Å; K138-R141 PolarHBondContact O-N 3.01Å; K138-V142 VanDerWaalsContact O-CG2 3.3Å; K138-V142 WeakPolarHBondContact O-CG2 3.34Å; K138-V142 PolarHBondContact O-N 3.42Å |
| 139 | R | 77.8 | Confident | 71.5 | Confident | 154 Ų | 154 | 110.4 Ų | 110.4 | 58% | 0.581 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.6 | -45 | 177.1 | -67.4 | 170.7 | -169.2 | 146.6 | -0.1 | 111.5 | S135 M136 R141 V142 L143 | S135-R139 WeakPolarHBondContact O-CG 3.39Å; S135-R139 PolarHBondContact O-N 3.04Å; S135-R139 VanDerWaalsContact OG-CZ 3.31Å; S135-R139 PolarHBondContact OG-NH2 2.97Å; S135-R139 VanDerWaalsContact OG-NH2 3.14Å; M136-R139 WeakPolarHBondContact O-CB 3.39Å; M136-R139 PolarHBondContact O-N 3.23Å; R139-R141 VanDerWaalsContact C-N 3.34Å; R139-R141 PolarHBondContact O-N 2.88Å; R139-V142 PolarHBondContact O-N 3.24Å; R139-L143 WeakPolarHBondContact O-CG 3.43Å; R139-L143 PolarHBondContact O-N 3.46Å |
| 140 | D | 69.4 | Low | 69.1 | Low | 84 Ų | 84 | 115.5 Ų | 115.5 | 45% | 0.449 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.3 | -38.7 | 177.8 | -67.7 | -18.2 | 0 | 0 | 0 | 111.9 | M136 V142 L143 L144 | M136-D140 PolarHBondContact O-N 3.32Å; D140-V142 VanDerWaalsContact C-N 3.33Å; D140-V142 PolarHBondContact O-N 3.18Å; D140-L143 PolarHBondContact O-N 3.44Å; D140-L144 WeakPolarHBondContact O-CB 3.33Å; D140-L144 VanDerWaalsContact O-CG 3.32Å; D140-L144 WeakPolarHBondContact O-CG 3.3Å; D140-L144 PolarHBondContact O-N 3.14Å |
| 141 | R | 60.8 | Low | 67 | Low | 187 Ų | 187 | 116.6 Ų | 116.6 | 71% | 0.706 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65.1 | -35.7 | 174.9 | -166.4 | -177.3 | -66.5 | -158.9 | -1.2 | 112.3 | C137 K138 R139 C145 | C137-R141 VanDerWaalsContact O-CB 3.3Å; C137-R141 WeakPolarHBondContact O-CB 3.3Å; C137-R141 PolarHBondContact O-N 3.01Å; K138-R141 PolarHBondContact O-N 3.01Å; R139-R141 VanDerWaalsContact C-N 3.34Å; R139-R141 PolarHBondContact O-N 2.88Å; R141-C145 WeakPolarHBondContact O-CB 3.34Å; R141-C145 PolarHBondContact O-N 3.07Å |
| 142 | V | 59.1 | Low | 64.6 | Low | 107 Ų | 107 | 116.6 Ų | 116.6 | 65% | 0.648 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -70.5 | -34.2 | 174.6 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | K138 R139 D140 C145 | K138-V142 VanDerWaalsContact O-CG2 3.3Å; K138-V142 WeakPolarHBondContact O-CG2 3.34Å; K138-V142 PolarHBondContact O-N 3.42Å; R139-V142 PolarHBondContact O-N 3.24Å; D140-V142 VanDerWaalsContact C-N 3.33Å; D140-V142 PolarHBondContact O-N 3.18Å; V142-C145 CarbonylContact O-C 3.48Å |
| 143 | L | 56.2 | Low | 62.2 | Low | 140 Ų | 140 | 121 Ų | 121 | 73% | 0.733 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -73.3 | -35.6 | 175.8 | -70.3 | 169.4 | 0 | 0 | 0 | 112.8 | R139 D140 | R139-L143 WeakPolarHBondContact O-CG 3.43Å; R139-L143 PolarHBondContact O-N 3.46Å; D140-L143 PolarHBondContact O-N 3.44Å |
| 144 | L | 52.9 | Low | 60.8 | Low | 146 Ų | 146 | 121.8 Ų | 121.8 | 76% | 0.764 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -78.6 | -26.7 | 177.2 | -69.3 | 168.8 | 0 | 0 | 0 | 112.9 | D140 | D140-L144 WeakPolarHBondContact O-CB 3.33Å; D140-L144 VanDerWaalsContact O-CG 3.32Å; D140-L144 WeakPolarHBondContact O-CG 3.3Å; D140-L144 PolarHBondContact O-N 3.14Å |
| 145 | C | 51 | Low | 59.3 | Low | 96 Ų | 96 | 122.7 Ų | 122.7 | 65% | 0.649 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -109 | 61.1 | 174.5 | -63.1 | 0 | 0 | 0 | 0 | 111 | R141 V142 | R141-C145 WeakPolarHBondContact O-CB 3.34Å; R141-C145 PolarHBondContact O-N 3.07Å; V142-C145 CarbonylContact O-C 3.48Å |
| 146 | G | 45.7 | Very low | 57.6 | Low | 35 Ų | 35 | 127.4 Ų | 127.4 | 36% | 0.361 | 70% | 0.702 | S | S | . | * | trans | -61.8 | 156 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G148 | G146-G148 VanDerWaalsContact C-N 3.31Å; G146-G148 PolarHBondContact O-N 2.94Å | ||
| 147 | P | 50.4 | Low | 55.9 | Low | 150 Ų | 150 | 129.2 Ų | 129.2 | 97% | 0.974 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 84.1 | 178.8 | 30.9 | -32.6 | 0 | 0 | 0 | 109.5 | ||
| 148 | G | 49.4 | Very low | 54.3 | Low | 63 Ų | 63 | 132.4 Ų | 132.4 | 65% | 0.649 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -173.7 | 9.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | G146 | G146-G148 VanDerWaalsContact C-N 3.31Å; G146-G148 PolarHBondContact O-N 2.94Å |
| 149 | W | 43.6 | Very low | 52.4 | Low | 242 Ų | 242 | 132.3 Ų | 132.3 | 92% | 0.917 | 74% | 0.736 | S | S | * | * | trans | -105.5 | 86.2 | 167.8 | -68.8 | 76.7 | 0 | 0 | 0 | 108.3 | A151 | W149-A151 PolarHBondContact O-N 3.07Å; W149-A151 VanDerWaalsContact O-N 3.07Å | ||
| 150 | N | 42.3 | Very low | 50.6 | Low | 152 Ų | 152 | 130.7 Ų | 130.7 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | trans | -58.5 | 109.8 | 161.1 | -75 | -27.5 | 0 | 0 | 0 | 107 | V152 | N150-V152 VanDerWaalsContact C-N 3.28Å; N150-V152 PolarHBondContact O-N 2.85Å | ||
| 151 | A | 42.7 | Very low | 49.2 | Very low | 91 Ų | 91 | 134.3 Ų | 134.3 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | trans | -63.6 | 97.3 | 160.8 | 0 | 0 | 0 | 0 | 0 | 107 | W149 V153 | W149-A151 PolarHBondContact O-N 3.07Å; W149-A151 VanDerWaalsContact O-N 3.07Å; A151-V153 PolarHBondContact O-N 3.32Å | ||
| 152 | V | 41.2 | Very low | 48.2 | Very low | 140 Ų | 140 | 129.9 Ų | 129.9 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | trans | -76.5 | 101.7 | 157.6 | 179.6 | 0 | 0 | 0 | 0 | 105.1 | N150 | N150-V152 VanDerWaalsContact C-N 3.28Å; N150-V152 PolarHBondContact O-N 2.85Å | ||
| 153 | V | 44 | Very low | 47.2 | Very low | 197 Ų | 197 | 132 Ų | 132 | 100% | 1.194 | 79% | 0.787 | S | S | * | * | trans | -101 | 0 | 158.9 | 177 | 0 | 0 | 0 | 0 | 107.1 | A151 | A151-V153 PolarHBondContact O-N 3.32Š|
Retrieved 153 of 153 residues in 119.8 ms
(Link to these results)