| 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 | 34.2 | Very low | 30.8 | Very low | 245 Ų | 245 | 137.7 Ų | 137.7 | 100% | 1.207 | 72% | 0.715 | S | S | * | * | 0 | 101.9 | 0 | -78.9 | 178.8 | 172.9 | 0 | 0 | 106 | |||||
| 2 | D | 30.1 | Very low | 30.5 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 79% | 0.786 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 138 | 174.4 | -75.8 | -74.2 | 0 | 0 | 0 | 109.8 | ||
| 3 | P | 35.4 | Very low | 30.4 | Very low | 97 Ų | 97 | 143.9 Ų | 143.9 | 63% | 0.63 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 153.8 | 179.7 | 27.9 | -31.9 | 0 | 0 | 0 | 111 | H5 | P3-H5 PolarHBondContact O-N 3.46Å; P3-H5 PolarHBondContact O-ND1 3.37Å |
| 4 | P | 34 | Very low | 30.2 | Very low | 99 Ų | 99 | 147.8 Ų | 147.8 | 64% | 0.643 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 128.4 | 179.9 | 24.1 | -30.8 | 0 | 0 | 0 | 109.7 | V6 | P4-V6 PolarHBondContact O-N 3.37Š|
| 5 | H | 33.1 | Very low | 30.4 | Very low | 163 Ų | 163 | 146.7 Ų | 146.7 | 76% | 0.755 | 73% | 0.726 | S | S | * | * | trans | -69 | 102.9 | -177.9 | -76 | 56.2 | 0 | 0 | 0 | 109.8 | P3 R7 | P3-H5 PolarHBondContact O-N 3.46Å; P3-H5 PolarHBondContact O-ND1 3.37Å; H5-R7 PolarHBondContact O-N 2.91Å; H5-R7 VanDerWaalsContact O-N 3.09Å | ||
| 6 | V | 33 | Very low | 30.4 | Very low | 135 Ų | 135 | 147.4 Ų | 147.4 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | trans | -68.6 | 105.6 | 175.9 | -176.1 | 0 | 0 | 0 | 0 | 109.3 | P4 | P4-V6 PolarHBondContact O-N 3.37Š| ||
| 7 | R | 28 | Very low | 30.6 | Very low | 154 Ų | 154 | 143.5 Ų | 143.5 | 58% | 0.581 | 71% | 0.708 | S | S | * | * | trans | -87.3 | 116.7 | 172.7 | -82.7 | -173.8 | 169.2 | -176.4 | -1.5 | 110.1 | H5 V9 | H5-R7 PolarHBondContact O-N 2.91Å; H5-R7 VanDerWaalsContact O-N 3.09Å; R7-V9 PolarHBondContact O-N 3.33Å | ||
| 8 | K | 29.6 | Very low | 30.7 | Very low | 191 Ų | 191 | 140.3 Ų | 140.3 | 83% | 0.83 | 69% | 0.693 | S | S | * | * | trans | -53.8 | 115.6 | 169.5 | -123.4 | 176.6 | -179.3 | 178.4 | 0 | 110.2 | ||||
| 9 | V | 28.2 | Very low | 31 | Very low | 81 Ų | 81 | 137.6 Ų | 137.6 | 49% | 0.491 | 69% | 0.69 | S | S | . | * | trans | -94.8 | 107.1 | 169.8 | -178.8 | 0 | 0 | 0 | 0 | 108 | R7 C11 | R7-V9 PolarHBondContact O-N 3.33Å; V9-C11 PolarHBondContact O-N 3.41Å | ||
| 10 | I | 25.6 | Very low | 31.4 | Very low | 150 Ų | 150 | 135.2 Ų | 135.2 | 77% | 0.769 | 68% | 0.678 | S | S | * | * | trans | -84.7 | 106 | 175 | -58.1 | 173.9 | 0 | 0 | 0 | 106.9 | ||||
| 11 | C | 27.2 | Very low | 31.8 | Very low | 53 Ų | 53 | 133.3 Ų | 133.3 | 36% | 0.358 | 67% | 0.67 | S | S | . | * | trans | -75.7 | 129 | 164.1 | -94.2 | 0 | 0 | 0 | 0 | 109.1 | V9 E13 M17 | V9-C11 PolarHBondContact O-N 3.41Å; C11-E13 VanDerWaalsContact C-N 3.25Å; C11-E13 PolarHBondContact O-N 2.64Å; C11-M17 HydrophobicContact CB-CE 3.81Å | ||
| 12 | K | 28.2 | Very low | 32.2 | Very low | 206 Ų | 206 | 127.3 Ų | 127.3 | 90% | 0.896 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -82.4 | 71.2 | -178.4 | -162.4 | -175.8 | -173.9 | -174.8 | 0 | 109.4 | ||
| 13 | E | 29.1 | Very low | 32.6 | Very low | 150 Ų | 150 | 130 Ų | 130 | 70% | 0.701 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -178.6 | 134 | 158.9 | -103.5 | 170 | 175.8 | 0 | 0 | 105 | C11 W15 | C11-E13 VanDerWaalsContact C-N 3.25Å; C11-E13 PolarHBondContact O-N 2.64Å; E13-W15 PolarHBondContact O-N 3.16Å |
| 14 | E | 27.8 | Very low | 32.8 | Very low | 198 Ų | 198 | 132 Ų | 132 | 93% | 0.925 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -51.5 | 88.4 | -167.5 | -66.9 | 175.8 | 111.5 | 0 | 0 | 114.2 | ||
| 15 | W | 32.5 | Very low | 33 | Very low | 131 Ų | 131 | 133.7 Ų | 133.7 | 50% | 0.496 | 65% | 0.648 | S | S | . | * | trans | -138.4 | 110.4 | 169.1 | -58.4 | 97.7 | 0 | 0 | 0 | 107.7 | E13 M17 L35 | E13-W15 PolarHBondContact O-N 3.16Å; W15-M17 VanDerWaalsContact C-N 3.31Å; W15-M17 PolarHBondContact O-N 3.18Å; W15-L35 HydrophobicContact CE3-CD2 3.54Å; W15-L35 HydrophobicContact CH2-CD2 4.15Å; W15-L35 HydrophobicContact CZ3-CD2 3.23Å | ||
| 16 | E | 29.8 | Very low | 33.1 | Very low | 158 Ų | 158 | 132.5 Ų | 132.5 | 74% | 0.738 | 65% | 0.648 | S | S | * | * | trans | -63.1 | 93.5 | 172.5 | -77.4 | -173.4 | 136 | 0 | 0 | 109.1 | L18 | E16-L18 PolarHBondContact O-N 3.24Å; E16-L18 VanDerWaalsContact O-N 3.14Å | ||
| 17 | M | 34.4 | Very low | 33 | Very low | 82 Ų | 82 | 130 Ų | 130 | 40% | 0.404 | 65% | 0.649 | S | S | . | * | trans | -75.1 | 99.8 | 179.7 | -163.5 | -179.1 | -63.6 | 0 | 0 | 109.1 | C11 W15 S19 L20 | C11-M17 HydrophobicContact CB-CE 3.81Å; W15-M17 VanDerWaalsContact C-N 3.31Å; W15-M17 PolarHBondContact O-N 3.18Å; M17-S19 PolarHBondContact O-N 2.9Å; M17-L20 HydrophobicContact SD-CD1 4.38Å | ||
| 18 | L | 31.9 | Very low | 33.1 | Very low | 86 Ų | 86 | 128.2 Ų | 128.2 | 45% | 0.45 | 65% | 0.646 | S | S | . | * | trans | -76.4 | 102.5 | 172.9 | -87.8 | 150.6 | 0 | 0 | 0 | 109.9 | E16 A34 Y36 | E16-L18 PolarHBondContact O-N 3.24Å; E16-L18 VanDerWaalsContact O-N 3.14Å; L18-A34 HydrophobicContact CD1-CB 3.68Å; L18-Y36 HydrophobicContact CD1-CE2 4.12Å | ||
| 19 | S | 37.7 | Very low | 33.6 | Very low | 89 Ų | 89 | 122.1 Ų | 122.1 | 62% | 0.622 | 63% | 0.631 | S | S | * | * | trans | 38.1 | 108.1 | 162.2 | 62 | 0 | 0 | 0 | 0 | 118.4 | M17 D21 | M17-S19 PolarHBondContact O-N 2.9Å; S19-D21 PolarHBondContact O-N 3.14Å | ||
| 20 | L | 38.3 | Very low | 33.9 | Very low | 89 Ų | 89 | 127 Ų | 127 | 47% | 0.466 | 64% | 0.641 | S | S | . | * | trans | -68.3 | 121.6 | 156.8 | -89.1 | 137.5 | 0 | 0 | 0 | 109.2 | M17 I31 | M17-L20 HydrophobicContact SD-CD1 4.38Å; L20-I31 HydrophobicContact CD2-CB 4.35Å; L20-I31 HydrophobicContact CD2-CD1 4.34Å; L20-I31 HydrophobicContact CD2-CG1 3.9Å; L20-I31 HydrophobicContact CD2-CG2 4.13Å; L20-I31 HydrophobicContact CG-CG2 4.38Å | ||
| 21 | D | 39.7 | Very low | 34.8 | Very low | 95 Ų | 95 | 122 Ų | 122 | 51% | 0.508 | 62% | 0.615 | S | S | . | * | trans | -87.9 | 116.1 | 175.3 | -144.8 | -22 | 0 | 0 | 0 | 107.7 | S19 R23 R32 | S19-D21 PolarHBondContact O-N 3.14Å; D21-R23 PolarHBondContact O-N 2.95Å; D21-R32 IonicContact OD2-NH1 3.15Å; D21-R32 PolarHBondContact OD2-NH1 2.87Å; D21-R32 VanDerWaalsContact OD2-NH1 3.15Å | ||
| 22 | D | 43.3 | Very low | 35.4 | Very low | 119 Ų | 119 | 126.1 Ų | 126.1 | 64% | 0.636 | 62% | 0.623 | S | S | * | * | trans | -81 | 35 | -163.6 | -144.4 | 11.4 | 0 | 0 | 0 | 113.4 | M24 | D22-M24 VanDerWaalsContact C-N 3.26Å; D22-M24 PolarHBondContact O-N 3.03Å | ||
| 23 | R | 37.1 | Very low | 36.1 | Very low | 205 Ų | 205 | 118.9 Ų | 118.9 | 77% | 0.774 | 59% | 0.592 | S | S | * | * | trans | -82.1 | 74.7 | 175 | -85.5 | -171.7 | 159.2 | 157.3 | -2.8 | 110.6 | D21 D25 | D21-R23 PolarHBondContact O-N 2.95Å; R23-D25 PolarHBondContact O-N 3.4Å | ||
| 24 | M | 40.3 | Very low | 36.4 | Very low | 138 Ų | 138 | 113.5 Ų | 113.5 | 68% | 0.68 | 57% | 0.573 | S | S | * | * | trans | -79.5 | 82.8 | 159.5 | -73.2 | -158.7 | -174.7 | 0 | 0 | 109.6 | D22 | D22-M24 VanDerWaalsContact C-N 3.26Å; D22-M24 PolarHBondContact O-N 3.03Å | ||
| 25 | D | 38.5 | Very low | 36.8 | Very low | 134 Ų | 134 | 106.9 Ų | 106.9 | 72% | 0.717 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -105.6 | -18.4 | 168 | -101.8 | -57.3 | 0 | 0 | 0 | 113.3 | R23 | R23-D25 PolarHBondContact O-N 3.4Š|
| 26 | D | 34.1 | Very low | 37.2 | Very low | 138 Ų | 138 | 109.1 Ų | 109.1 | 74% | 0.738 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -137.6 | 24.6 | -172.9 | -74.1 | -52.4 | 0 | 0 | 0 | 115.5 | F28 | D26-F28 HydrophobicContact CB-CD2 4.46Å; D26-F28 VanDerWaalsContact O-CD2 3.23Å; D26-F28 WeakPolarHBondContact O-CD2 3.22Å; D26-F28 PolarHBondContact O-N 2.86Å |
| 27 | G | 31.4 | Very low | 37.4 | Very low | 82 Ų | 82 | 112.2 Ų | 112.2 | 85% | 0.845 | 56% | 0.558 | S | S | * | * | S | Bend | trans | 71.9 | 5.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 28 | F | 30.5 | Very low | 37.7 | Very low | 117 Ų | 117 | 115.2 Ų | 115.2 | 51% | 0.513 | 57% | 0.569 | S | S | . | * | trans | -105.4 | 118.2 | 172.6 | -72.3 | -89.9 | 0 | 0 | 0 | 110.5 | D26 R30 S82 | D26-F28 HydrophobicContact CB-CD2 4.46Å; D26-F28 VanDerWaalsContact O-CD2 3.23Å; D26-F28 WeakPolarHBondContact O-CD2 3.22Å; D26-F28 PolarHBondContact O-N 2.86Å; F28-R30 PolarHBondContact O-N 3.02Å; F28-S82 WeakPolarHBondContact CZ-OG 3.11Å | ||
| 29 | A | 39.1 | Very low | 38.2 | Very low | 64 Ų | 64 | 114.8 Ų | 114.8 | 53% | 0.529 | 57% | 0.572 | S | S | . | * | trans | -83.4 | 108.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109 | I31 | A29-I31 PolarHBondContact O-N 2.78Š| ||
| 30 | R | 36.2 | Very low | 38.5 | Very low | 183 Ų | 183 | 117.8 Ų | 117.8 | 69% | 0.691 | 57% | 0.574 | S | S | * | * | trans | -79.7 | 113.3 | 169.1 | -96.2 | -179.4 | 172.3 | 162 | -0.9 | 109.2 | F28 | F28-R30 PolarHBondContact O-N 3.02Š| ||
| 31 | I | 43.7 | Very low | 38.8 | Very low | 45 Ų | 45 | 113.9 Ų | 113.9 | 23% | 0.231 | 55% | 0.554 | C | S | . | * | trans | -98.9 | 115.5 | 174.2 | -46.8 | -166.1 | 0 | 0 | 0 | 108.4 | L20 A29 F33 L45 | L20-I31 HydrophobicContact CD2-CB 4.35Å; L20-I31 HydrophobicContact CD2-CD1 4.34Å; L20-I31 HydrophobicContact CD2-CG1 3.9Å; L20-I31 HydrophobicContact CD2-CG2 4.13Å; L20-I31 HydrophobicContact CG-CG2 4.38Å; A29-I31 PolarHBondContact O-N 2.78Å; I31-F33 HydrophobicContact CB-CD1 4.17Å; I31-F33 HydrophobicContact CB-CE1 3.9Å; I31-F33 HydrophobicContact CG2-CD1 3.51Å; I31-F33 HydrophobicContact CG2-CE1 3.73Å; I31-L45 HydrophobicContact CD1-CD1 3.28Å; I31-L45 HydrophobicContact CG1-CD1 4.15Å | ||
| 32 | R | 38.9 | Very low | 38.9 | Very low | 139 Ų | 139 | 112.6 Ų | 112.6 | 53% | 0.525 | 55% | 0.549 | S | S | . | . | trans | -88.4 | 134 | 165.8 | -71.2 | -178.3 | 179 | 147.8 | -0.2 | 108.5 | D21 | D21-R32 IonicContact OD2-NH1 3.15Å; D21-R32 PolarHBondContact OD2-NH1 2.87Å; D21-R32 VanDerWaalsContact OD2-NH1 3.15Å | ||
| 33 | F | 43.2 | Very low | 39 | Very low | 54 Ų | 54 | 107.8 Ų | 107.8 | 24% | 0.237 | 53% | 0.525 | C | S | . | . | trans | -139.3 | 134.8 | 169.7 | 26.5 | -99.9 | 0 | 0 | 0 | 109.2 | I31 V78 | I31-F33 HydrophobicContact CB-CD1 4.17Å; I31-F33 HydrophobicContact CB-CE1 3.9Å; I31-F33 HydrophobicContact CG2-CD1 3.51Å; I31-F33 HydrophobicContact CG2-CE1 3.73Å; F33-V78 HydrophobicContact CE2-CG2 3.88Å; F33-V78 HydrophobicContact CZ-CB 4.28Å; F33-V78 HydrophobicContact CZ-CG2 4Å | ||
| 34 | A | 35.4 | Very low | 39.3 | Very low | 37 Ų | 37 | 105 Ų | 105 | 31% | 0.306 | 52% | 0.515 | S | S | . | . | trans | -102.2 | 130.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | L18 | L18-A34 HydrophobicContact CD1-CB 3.68Š| ||
| 35 | L | 37.2 | Very low | 39.4 | Very low | 59 Ų | 59 | 99.8 Ų | 99.8 | 31% | 0.309 | 49% | 0.489 | S | S | . | . | trans | -103.2 | 117.5 | 177.7 | -81.2 | 157.9 | 0 | 0 | 0 | 110.1 | W15 A41 L71 | W15-L35 HydrophobicContact CE3-CD2 3.54Å; W15-L35 HydrophobicContact CH2-CD2 4.15Å; W15-L35 HydrophobicContact CZ3-CD2 3.23Å; L35-A41 HydrophobicContact CD1-CB 3.6Å; L35-A41 HydrophobicContact CD2-CB 3.78Å; L35-A41 HydrophobicContact CG-CB 4.36Å; L35-L71 HydrophobicContact CD1-CB 3.91Å; L35-L71 HydrophobicContact CD1-CD1 3.03Å; L35-L71 HydrophobicContact CD1-CG 4.01Å; L35-L71 HydrophobicContact CG-CD1 4.5Å | ||
| 36 | Y | 40.9 | Very low | 39.7 | Very low | 178 Ų | 178 | 97.3 Ų | 97.3 | 70% | 0.698 | 47% | 0.473 | S | S | * | . | trans | -86.1 | -9.4 | 179.9 | -89.2 | -86.3 | 0 | 0 | 0 | 114.4 | L18 | L18-Y36 HydrophobicContact CD1-CE2 4.12Š| ||
| 37 | R | 34.7 | Very low | 39.9 | Very low | 223 Ų | 223 | 95 Ų | 95 | 84% | 0.842 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -147 | 130.6 | 176.1 | -82.2 | -172.9 | 165.4 | 158.1 | -4.6 | 114.8 | ||
| 38 | K | 40.3 | Very low | 40.1 | Very low | 145 Ų | 145 | 92.7 Ų | 92.7 | 63% | 0.63 | 44% | 0.435 | S | S | * | . | trans | -69.1 | 163 | 173 | -92.9 | 178.6 | 167.9 | 163.5 | 0 | 113.2 | A73 | K38-A73 HydrophobicContact CD-CB 3.87Å; K38-A73 VanDerWaalsContact CE-N 3.3Å; K38-A73 HydrophobicContact CG-CB 4.23Å | ||
| 39 | P | 42.5 | Very low | 40.1 | Very low | 78 Ų | 78 | 93.1 Ų | 93.1 | 51% | 0.506 | 44% | 0.442 | S | S | . | . | S | Bend | cis | -117.9 | -5.1 | 10.5 | 22 | -0.4 | 0 | 0 | 0 | 115.8 | ||
| 40 | F | 42.6 | Very low | 39.9 | Very low | 152 Ų | 152 | 96.5 Ų | 96.5 | 67% | 0.667 | 45% | 0.45 | S | S | * | . | trans | -138 | 122.1 | -175 | -57.3 | -75.4 | 0 | 0 | 0 | 109.2 | ||||
| 41 | A | 46 | Very low | 39.6 | Very low | 6 Ų | 6 | 94.4 Ų | 94.4 | 5% | 0.05 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 122.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | L35 C43 L69 L71 | L35-A41 HydrophobicContact CD1-CB 3.6Å; L35-A41 HydrophobicContact CD2-CB 3.78Å; L35-A41 HydrophobicContact CG-CB 4.36Å; A41-C43 PolarHBondContact O-N 3.17Å; A41-L69 PolarHBondContact O-N 2.91Å; A41-L71 HydrophobicContact CB-CD1 3.76Å |
| 42 | T | 41.4 | Very low | 39 | Very low | 68 Ų | 68 | 95.4 Ų | 95.4 | 42% | 0.417 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 103.4 | 162.6 | -60.3 | 0 | 0 | 0 | 0 | 106.4 | K66 | T42-K66 HydrophobicContact CG2-CD 4.46Å; T42-K66 VanDerWaalsContact CG2-CE 3.44Å; T42-K66 HydrophobicContact CG2-CG 4.2Å |
| 43 | C | 46.4 | Very low | 38.9 | Very low | 19 Ų | 19 | 93.7 Ų | 93.7 | 13% | 0.128 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 128.1 | 174.8 | -72.6 | 0 | 0 | 0 | 0 | 108.7 | A41 F67 L69 | A41-C43 PolarHBondContact O-N 3.17Å; C43-F67 HydrophobicContact CB-CD2 3.72Å; C43-F67 HydrophobicContact CB-CE2 3.26Å; C43-F67 HydrophobicContact CB-CZ 4.01Å; C43-F67 PolarHBondContact N-O 3.42Å; C43-F67 PolarHBondContact O-N 2.68Å; C43-L69 HydrophobicContact CB-CD1 4.46Å |
| 44 | R | 41.9 | Very low | 38.5 | Very low | 146 Ų | 146 | 100.5 Ų | 100.5 | 55% | 0.551 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 118.2 | 166.5 | -80.7 | -178.6 | 172.2 | 162.6 | -2.7 | 108 | F46 K66 | R44-F46 HydrophobicContact CB-CD2 4.11Å; R44-F46 HydrophobicContact CB-CE2 3.44Å; R44-F46 VanDerWaalsContact CB-CE2 3.44Å; R44-F46 HydrophobicContact CB-CZ 3.84Å; R44-F46 WeakPolarHBondContact O-CD2 3.34Å; R44-F46 PolarHBondContact O-N 3.46Å; R44-K66 HydrophobicContact CG-CG 4.5Å |
| 45 | L | 43.8 | Very low | 38.3 | Very low | 28 Ų | 28 | 101.4 Ų | 101.4 | 15% | 0.147 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 110.4 | 172.9 | 178.4 | 64.7 | 0 | 0 | 0 | 108.2 | I31 I47 V64 D65 F67 K80 | I31-L45 HydrophobicContact CD1-CD1 3.28Å; I31-L45 HydrophobicContact CG1-CD1 4.15Å; L45-I47 HydrophobicContact CG-CG1 4.41Å; L45-V64 PolarHBondContact O-N 3.37Å; L45-D65 PolarHBondContact N-O 3.04Å; L45-D65 VanDerWaalsContact N-O 3.14Å; L45-F67 HydrophobicContact CB-CE1 3.61Å; L45-F67 HydrophobicContact CB-CZ 3.93Å; L45-F67 HydrophobicContact CD2-CE1 4.47Å; L45-K80 HydrophobicContact CD2-CD 4.08Å |
| 46 | F | 44 | Very low | 38.2 | Very low | 83 Ų | 83 | 107.2 Ų | 107.2 | 36% | 0.364 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 118.1 | 171.2 | -64.4 | -85.5 | 0 | 0 | 0 | 108.6 | R44 C61 Y62 | R44-F46 HydrophobicContact CB-CD2 4.11Å; R44-F46 HydrophobicContact CB-CE2 3.44Å; R44-F46 VanDerWaalsContact CB-CE2 3.44Å; R44-F46 HydrophobicContact CB-CZ 3.84Å; R44-F46 WeakPolarHBondContact O-CD2 3.34Å; R44-F46 PolarHBondContact O-N 3.46Å; F46-C61 HydrophobicContact CD1-CB 4.46Å; F46-Y62 WeakPolarHBondContact CA-O 3.33Å |
| 47 | I | 38.7 | Very low | 37.7 | Very low | 90 Ų | 90 | 102.1 Ų | 102.1 | 46% | 0.462 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 109.8 | 164.7 | -57.6 | -172.4 | 0 | 0 | 0 | 105.7 | L45 Y62 V64 | L45-I47 HydrophobicContact CG-CG1 4.41Å; I47-Y62 PolarHBondContact N-O 3.22Å; I47-Y62 PolarHBondContact O-N 3.16Å; I47-V64 HydrophobicContact CB-CG2 3.5Å; I47-V64 VanDerWaalsContact CB-CG2 3.5Å; I47-V64 HydrophobicContact CD1-CB 4.07Å; I47-V64 HydrophobicContact CD1-CG1 4.02Å; I47-V64 HydrophobicContact CD1-CG2 3.68Å; I47-V64 HydrophobicContact CG1-CB 4.01Å; I47-V64 HydrophobicContact CG1-CG2 3.43Å; I47-V64 VanDerWaalsContact CG1-CG2 3.43Å |
| 48 | G | 35.2 | Very low | 37.7 | Very low | 33 Ų | 33 | 94.2 Ų | 94.2 | 34% | 0.34 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 128 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | I50 F60 | G48-I50 PolarHBondContact O-N 3.46Å; G48-F60 WeakPolarHBondContact CA-O 3.38Å |
| 49 | L | 29.8 | Very low | 37.7 | Very low | 125 Ų | 125 | 97 Ų | 97 | 65% | 0.654 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 107.4 | 165.7 | -89.2 | 153.8 | 0 | 0 | 0 | 107.6 | Q51 F60 | L49-Q51 PolarHBondContact O-N 3.45Å; L49-Q51 VanDerWaalsContact O-N 3.16Å; L49-F60 PolarHBondContact N-O 3.15Å |
| 50 | I | 35 | Very low | 37.3 | Very low | 136 Ų | 136 | 98.2 Ų | 98.2 | 70% | 0.697 | 51% | 0.508 | S | S | * | . | trans | -80.5 | 91 | 167.3 | -55.6 | -179.9 | 0 | 0 | 0 | 106.7 | G48 S52 | G48-I50 PolarHBondContact O-N 3.46Å; I50-S52 PolarHBondContact O-N 3.32Å | ||
| 51 | Q | 30.8 | Very low | 37.1 | Very low | 139 Ų | 139 | 94.8 Ų | 94.8 | 65% | 0.65 | 50% | 0.502 | S | S | * | . | trans | -72.1 | 108.9 | 167.4 | -101.4 | -172.7 | -14.1 | 0 | 0 | 108.8 | L49 | L49-Q51 PolarHBondContact O-N 3.45Å; L49-Q51 VanDerWaalsContact O-N 3.16Å | ||
| 52 | S | 29.8 | Very low | 36.6 | Very low | 66 Ų | 66 | 101.1 Ų | 101.1 | 46% | 0.462 | 53% | 0.526 | S | S | . | . | trans | 47.7 | 130.8 | 158.6 | -179.7 | 0 | 0 | 0 | 0 | 118.5 | I50 F54 S55 | I50-S52 PolarHBondContact O-N 3.32Å; S52-F54 PolarHBondContact O-N 3.27Å; S52-F54 PolarHBondContact OG-N 3.4Å; S52-S55 PolarHBondContact O-N 3.14Å | ||
| 53 | P | 36.9 | Very low | 36.6 | Very low | 102 Ų | 102 | 101.1 Ų | 101.1 | 66% | 0.662 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -0.4 | 176.3 | 27.6 | -32.4 | 0 | 0 | 0 | 114.9 | ||
| 54 | F | 35.9 | Very low | 36.3 | Very low | 197 Ų | 197 | 103.4 Ų | 103.4 | 86% | 0.864 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | 8.7 | -176.2 | -68.2 | -77.5 | 0 | 0 | 0 | 115.5 | S52 | S52-F54 PolarHBondContact O-N 3.27Å; S52-F54 PolarHBondContact OG-N 3.4Å |
| 55 | S | 30.4 | Very low | 36.4 | Very low | 57 Ų | 57 | 99.6 Ų | 99.6 | 40% | 0.399 | 53% | 0.532 | S | S | . | . | trans | -126.5 | 119.6 | -179.9 | -170.3 | 0 | 0 | 0 | 0 | 110.3 | S52 S57 | S52-S55 PolarHBondContact O-N 3.14Å; S55-S57 PolarHBondContact O-N 3.3Å; S55-S57 WeakPolarHBondContact OG-CB 3.36Å; S55-S57 PolarHBondContact OG-N 3.04Å; S55-S57 PolarHBondContact OG-OG 3.43Å | ||
| 56 | D | 35 | Very low | 36.5 | Very low | 181 Ų | 181 | 103.5 Ų | 103.5 | 97% | 0.968 | 55% | 0.548 | S | S | * | . | trans | -62.7 | 8.2 | 167.1 | -107.2 | -30.6 | 0 | 0 | 0 | 113 | A58 | D56-A58 PolarHBondContact O-N 3Š| ||
| 57 | S | 31.1 | Very low | 36.7 | Very low | 71 Ų | 71 | 101.6 Ų | 101.6 | 50% | 0.497 | 54% | 0.54 | S | S | . | . | trans | -91 | 104.7 | -171 | -47.2 | 0 | 0 | 0 | 0 | 110.4 | S55 | S55-S57 PolarHBondContact O-N 3.3Å; S55-S57 WeakPolarHBondContact OG-CB 3.36Å; S55-S57 PolarHBondContact OG-N 3.04Å; S55-S57 PolarHBondContact OG-OG 3.43Å | ||
| 58 | A | 34.4 | Very low | 37 | Very low | 57 Ų | 57 | 103.7 Ų | 103.7 | 47% | 0.471 | 55% | 0.547 | S | S | . | . | trans | 46.5 | 104.7 | 153 | 0 | 0 | 0 | 0 | 0 | 117.1 | D56 F60 | D56-A58 PolarHBondContact O-N 3Å; A58-F60 HydrophobicContact CB-CD2 4Å; A58-F60 HydrophobicContact CB-CE1 4.28Å; A58-F60 HydrophobicContact CB-CE2 3.43Å; A58-F60 VanDerWaalsContact CB-CE2 3.43Å; A58-F60 HydrophobicContact CB-CZ 3.59Å; A58-F60 VanDerWaalsContact O-CD2 3.24Å; A58-F60 WeakPolarHBondContact O-CD2 3.23Å; A58-F60 PolarHBondContact O-N 2.93Å | ||
| 59 | R | 40.7 | Very low | 37.5 | Very low | 202 Ų | 202 | 104.2 Ų | 104.2 | 76% | 0.762 | 54% | 0.542 | S | S | * | . | trans | -66.9 | 103.1 | 159.9 | -63.4 | -178.9 | -161 | 179.5 | 4.8 | 108.4 | C61 | R59-C61 PolarHBondContact O-N 3.49Š| ||
| 60 | F | 34 | Very low | 38.1 | Very low | 104 Ų | 104 | 104 Ų | 104 | 46% | 0.456 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 100.6 | 170.4 | -66.1 | -79.3 | 0 | 0 | 0 | 109.1 | G48 L49 A58 Y62 | G48-F60 WeakPolarHBondContact CA-O 3.38Å; L49-F60 PolarHBondContact N-O 3.15Å; A58-F60 HydrophobicContact CB-CD2 4Å; A58-F60 HydrophobicContact CB-CE1 4.28Å; A58-F60 HydrophobicContact CB-CE2 3.43Å; A58-F60 VanDerWaalsContact CB-CE2 3.43Å; A58-F60 HydrophobicContact CB-CZ 3.59Å; A58-F60 VanDerWaalsContact O-CD2 3.24Å; A58-F60 WeakPolarHBondContact O-CD2 3.23Å; A58-F60 PolarHBondContact O-N 2.93Å; F60-Y62 HydrophobicContact CB-CD2 4.4Å; F60-Y62 HydrophobicContact CB-CE2 3.63Å; F60-Y62 HydrophobicContact CG-CE2 4.44Å |
| 61 | C | 38.5 | Very low | 38.7 | Very low | 81 Ų | 81 | 98.5 Ų | 98.5 | 55% | 0.547 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 112.5 | 168.9 | -68.4 | 0 | 0 | 0 | 0 | 108.5 | F46 R59 | F46-C61 HydrophobicContact CD1-CB 4.46Å; R59-C61 PolarHBondContact O-N 3.49Å |
| 62 | Y | 34 | Very low | 39.2 | Very low | 138 Ų | 138 | 99.7 Ų | 99.7 | 54% | 0.541 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 127 | 172.5 | -60.1 | -83.2 | 0 | 0 | 0 | 108.7 | F46 I47 F60 V64 | F46-Y62 WeakPolarHBondContact CA-O 3.33Å; I47-Y62 PolarHBondContact N-O 3.22Å; I47-Y62 PolarHBondContact O-N 3.16Å; F60-Y62 HydrophobicContact CB-CD2 4.4Å; F60-Y62 HydrophobicContact CB-CE2 3.63Å; F60-Y62 HydrophobicContact CG-CE2 4.44Å; Y62-V64 PolarHBondContact O-N 3.18Å |
| 63 | S | 43.1 | Very low | 39.8 | Very low | 68 Ų | 68 | 99.1 Ų | 99.1 | 48% | 0.476 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 108.3 | 166.5 | 172 | 0 | 0 | 0 | 0 | 107 | ||
| 64 | V | 40.1 | Very low | 40.1 | Very low | 68 Ų | 68 | 101.2 Ų | 101.2 | 41% | 0.412 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -26.6 | -176.1 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | L45 I47 Y62 | L45-V64 PolarHBondContact O-N 3.37Å; I47-V64 HydrophobicContact CB-CG2 3.5Å; I47-V64 VanDerWaalsContact CB-CG2 3.5Å; I47-V64 HydrophobicContact CD1-CB 4.07Å; I47-V64 HydrophobicContact CD1-CG1 4.02Å; I47-V64 HydrophobicContact CD1-CG2 3.68Å; I47-V64 HydrophobicContact CG1-CB 4.01Å; I47-V64 HydrophobicContact CG1-CG2 3.43Å; I47-V64 VanDerWaalsContact CG1-CG2 3.43Å; Y62-V64 PolarHBondContact O-N 3.18Å |
| 65 | D | 43 | Very low | 40.5 | Very low | 65 Ų | 65 | 98.7 Ų | 98.7 | 35% | 0.348 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 150.6 | 177.5 | -136.4 | -31.7 | 0 | 0 | 0 | 113.4 | L45 F67 K80 | L45-D65 PolarHBondContact N-O 3.04Å; L45-D65 VanDerWaalsContact N-O 3.14Å; D65-F67 HydrophobicContact CB-CD1 3.93Å; D65-F67 HydrophobicContact CB-CE1 4.1Å; D65-K80 WeakPolarHBondContact OD2-CE 3.24Å; D65-K80 IonicContact OD2-NZ 2.64Å; D65-K80 PolarHBondContact OD2-NZ 3.46Å |
| 66 | K | 46.2 | Very low | 41 | Very low | 111 Ų | 111 | 97.7 Ų | 97.7 | 48% | 0.483 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 108.7 | 170.8 | -174.9 | -173.6 | -179.8 | -172 | 0 | 107.9 | T42 R44 | T42-K66 HydrophobicContact CG2-CD 4.46Å; T42-K66 VanDerWaalsContact CG2-CE 3.44Å; T42-K66 HydrophobicContact CG2-CG 4.2Å; R44-K66 HydrophobicContact CG-CG 4.5Å |
| 67 | F | 48 | Very low | 41.6 | Very low | 43 Ų | 43 | 96.5 Ų | 96.5 | 19% | 0.189 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 141.2 | 177 | 40.1 | -91.7 | 0 | 0 | 0 | 110.5 | C43 L45 D65 L69 V78 | C43-F67 HydrophobicContact CB-CD2 3.72Å; C43-F67 HydrophobicContact CB-CE2 3.26Å; C43-F67 HydrophobicContact CB-CZ 4.01Å; C43-F67 PolarHBondContact N-O 3.42Å; C43-F67 PolarHBondContact O-N 2.68Å; L45-F67 HydrophobicContact CB-CE1 3.61Å; L45-F67 HydrophobicContact CB-CZ 3.93Å; L45-F67 HydrophobicContact CD2-CE1 4.47Å; D65-F67 HydrophobicContact CB-CD1 3.93Å; D65-F67 HydrophobicContact CB-CE1 4.1Å; F67-L69 HydrophobicContact CD2-CD1 3.41Å; F67-L69 VanDerWaalsContact CD2-CD1 3.41Å; F67-L69 HydrophobicContact CD2-CG 3.77Å; F67-L69 HydrophobicContact CE2-CD1 3.56Å; F67-L69 HydrophobicContact CE2-CG 4.41Å; F67-V78 HydrophobicContact CE2-CG1 4.45Å |
| 68 | H | 44.5 | Very low | 42.4 | Very low | 133 Ų | 133 | 95.5 Ų | 95.5 | 62% | 0.616 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 121.1 | 170 | -64.5 | 82.7 | 0 | 0 | 0 | 107 | ||
| 69 | L | 45.7 | Very low | 42.7 | Very low | 44 Ų | 44 | 98.6 Ų | 98.6 | 23% | 0.23 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 131.6 | 177.4 | -66.8 | 161 | 0 | 0 | 0 | 108.6 | A41 C43 F67 L71 V78 | A41-L69 PolarHBondContact O-N 2.91Å; C43-L69 HydrophobicContact CB-CD1 4.46Å; F67-L69 HydrophobicContact CD2-CD1 3.41Å; F67-L69 VanDerWaalsContact CD2-CD1 3.41Å; F67-L69 HydrophobicContact CD2-CG 3.77Å; F67-L69 HydrophobicContact CE2-CD1 3.56Å; F67-L69 HydrophobicContact CE2-CG 4.41Å; L69-L71 HydrophobicContact CB-CD1 3.82Å; L69-L71 HydrophobicContact CB-CD2 4.02Å; L69-L71 HydrophobicContact CB-CG 3.72Å; L69-L71 HydrophobicContact CD1-CD1 4.34Å; L69-L71 HydrophobicContact CD1-CD2 4.43Å; L69-L71 PolarHBondContact O-N 3.47Å; L69-V78 HydrophobicContact CD1-CB 4.43Å; L69-V78 HydrophobicContact CD1-CG1 4.16Å; L69-V78 HydrophobicContact CD1-CG2 3.41Å; L69-V78 VanDerWaalsContact CD1-CG2 3.41Å; L69-V78 HydrophobicContact CD2-CG2 4.44Å |
| 70 | T | 43.8 | Very low | 42.8 | Very low | 121 Ų | 121 | 93.7 Ų | 93.7 | 74% | 0.742 | 48% | 0.479 | S | S | * | . | trans | -86.8 | 96.6 | 166.7 | -43.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 71 | L | 46.7 | Very low | 42.8 | Very low | 21 Ų | 21 | 94.4 Ų | 94.4 | 11% | 0.11 | 50% | 0.495 | C | S | . | . | trans | -92.7 | 128.3 | -174.2 | -65.5 | 158.5 | 0 | 0 | 0 | 108.6 | L35 A41 L69 S76 | L35-L71 HydrophobicContact CD1-CB 3.91Å; L35-L71 HydrophobicContact CD1-CD1 3.03Å; L35-L71 HydrophobicContact CD1-CG 4.01Å; L35-L71 HydrophobicContact CG-CD1 4.5Å; A41-L71 HydrophobicContact CB-CD1 3.76Å; L69-L71 HydrophobicContact CB-CD1 3.82Å; L69-L71 HydrophobicContact CB-CD2 4.02Å; L69-L71 HydrophobicContact CB-CG 3.72Å; L69-L71 HydrophobicContact CD1-CD1 4.34Å; L69-L71 HydrophobicContact CD1-CD2 4.43Å; L69-L71 PolarHBondContact O-N 3.47Å; L71-S76 VanDerWaalsContact CD2-CB 3.44Å | ||
| 72 | Q | 42.5 | Very low | 43 | Very low | 163 Ų | 163 | 98.3 Ų | 98.3 | 76% | 0.762 | 52% | 0.524 | S | S | * | . | trans | -71.1 | 155.2 | 173.1 | -69.5 | -167.3 | -10.6 | 0 | 0 | 108.9 | D74 | Q72-D74 PolarHBondContact O-N 3.09Š| ||
| 73 | A | 41.5 | Very low | 43.4 | Very low | 55 Ų | 55 | 96.4 Ų | 96.4 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -77.1 | 89.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 106.1 | K38 | K38-A73 HydrophobicContact CD-CB 3.87Å; K38-A73 VanDerWaalsContact CE-N 3.3Å; K38-A73 HydrophobicContact CG-CB 4.23Å |
| 74 | D | 44 | Very low | 43.4 | Very low | 146 Ų | 146 | 97.8 Ų | 97.8 | 78% | 0.781 | 53% | 0.526 | S | S | * | . | S | Bend | trans | 176.4 | 172.5 | 168.7 | -83.1 | -30.9 | 0 | 0 | 0 | 107.5 | Q72 S76 | Q72-D74 PolarHBondContact O-N 3.09Å; D74-S76 PolarHBondContact O-N 2.92Å; D74-S76 PolarHBondContact O-OG 3.36Å |
| 75 | E | 43.1 | Very low | 43.6 | Very low | 144 Ų | 144 | 99.5 Ų | 99.5 | 67% | 0.673 | 53% | 0.532 | S | S | * | . | trans | -50.2 | 123.9 | 172.3 | -111.1 | -172 | 173.9 | 0 | 0 | 110.4 | Y77 | E75-Y77 HydrophobicContact CB-CE2 4.44Å; E75-Y77 PolarHBondContact OE2-OH 3.25Å | ||
| 76 | S | 42.2 | Very low | 43.7 | Very low | 35 Ų | 35 | 101.5 Ų | 101.5 | 25% | 0.245 | 54% | 0.543 | C | S | . | . | trans | -125.3 | 131.4 | -176.7 | -65.3 | 0 | 0 | 0 | 0 | 109.9 | L71 D74 | L71-S76 VanDerWaalsContact CD2-CB 3.44Å; D74-S76 PolarHBondContact O-N 2.92Å; D74-S76 PolarHBondContact O-OG 3.36Å | ||
| 77 | Y | 46.9 | Very low | 43.5 | Very low | 157 Ų | 157 | 100.9 Ų | 100.9 | 62% | 0.616 | 55% | 0.547 | S | S | * | . | trans | -104.5 | 139 | -178.8 | -60 | -88.9 | 0 | 0 | 0 | 109.8 | E75 | E75-Y77 HydrophobicContact CB-CE2 4.44Å; E75-Y77 PolarHBondContact OE2-OH 3.25Å | ||
| 78 | V | 47.6 | Very low | 43.2 | Very low | 49 Ų | 49 | 104.8 Ų | 104.8 | 30% | 0.297 | 57% | 0.57 | S | S | . | * | trans | -123.1 | 104.9 | 175.1 | -175.6 | 0 | 0 | 0 | 0 | 107.1 | F33 F67 L69 | F33-V78 HydrophobicContact CE2-CG2 3.88Å; F33-V78 HydrophobicContact CZ-CB 4.28Å; F33-V78 HydrophobicContact CZ-CG2 4Å; F67-V78 HydrophobicContact CE2-CG1 4.45Å; L69-V78 HydrophobicContact CD1-CB 4.43Å; L69-V78 HydrophobicContact CD1-CG1 4.16Å; L69-V78 HydrophobicContact CD1-CG2 3.41Å; L69-V78 VanDerWaalsContact CD1-CG2 3.41Å; L69-V78 HydrophobicContact CD2-CG2 4.44Å | ||
| 79 | D | 41.4 | Very low | 43.1 | Very low | 122 Ų | 122 | 102.8 Ų | 102.8 | 65% | 0.652 | 57% | 0.567 | S | S | * | * | trans | -89.9 | 125.2 | 167.3 | -86.8 | -46.2 | 0 | 0 | 0 | 108.6 | ||||
| 80 | K | 41.6 | Very low | 42.9 | Very low | 100 Ų | 100 | 107.3 Ų | 107.3 | 44% | 0.435 | 59% | 0.593 | S | S | . | * | trans | -103.1 | 112.3 | 171.1 | -166.2 | -175.4 | -174.5 | -173.1 | 0 | 108.4 | L45 D65 | L45-K80 HydrophobicContact CD2-CD 4.08Å; D65-K80 WeakPolarHBondContact OD2-CE 3.24Å; D65-K80 IonicContact OD2-NZ 2.64Å; D65-K80 PolarHBondContact OD2-NZ 3.46Å | ||
| 81 | C | 34.3 | Very low | 42.8 | Very low | 118 Ų | 118 | 106.2 Ų | 106.2 | 80% | 0.797 | 58% | 0.581 | S | S | * | * | trans | -78.1 | 136.6 | 171 | -61.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 82 | S | 42.3 | Very low | 42.5 | Very low | 164 Ų | 164 | 113.9 Ų | 113.9 | 100% | 1.147 | 62% | 0.624 | S | S | * | * | trans | -76 | 0 | 170.1 | 23.3 | 0 | 0 | 0 | 0 | 112.8 | F28 | F28-S82 WeakPolarHBondContact CZ-OG 3.11Š|
Retrieved 82 of 82 residues in 39.2 ms
(Link to these results)