| 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 | 49 | Very low | 71.9 | Confident | 237 Ų | 237 | 125.7 Ų | 125.7 | 100% | 1.167 | 67% | 0.674 | S | S | * | * | 0 | 110.4 | 0 | -157 | 157.6 | -175.2 | 0 | 0 | 106.4 | |||||
| 2 | A | 66.9 | Low | 71.8 | Confident | 99 Ų | 99 | 121.6 Ų | 121.6 | 82% | 0.818 | 66% | 0.662 | S | S | * | * | trans | -78.5 | 127.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 3 | V | 72 | Confident | 71.7 | Confident | 128 Ų | 128 | 120.1 Ų | 120.1 | 78% | 0.776 | 66% | 0.659 | S | S | * | * | trans | -91.7 | -7.1 | -173.8 | 179.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 4 | F | 77.2 | Confident | 71.4 | Confident | 186 Ų | 186 | 121.5 Ų | 121.5 | 82% | 0.816 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -118 | 133.7 | -179.8 | -65.6 | -82.5 | 0 | 0 | 0 | 110.9 | ||
| 5 | L | 80 | Confident | 70.7 | Confident | 113 Ų | 113 | 124.2 Ų | 124.2 | 59% | 0.592 | 67% | 0.667 | S | S | * | * | trans | -70.3 | 149.9 | 173.1 | -67.4 | 168.2 | 0 | 0 | 0 | 110.3 | D9 A10 V13 | L5-D9 HydrophobicContact CB-CB 4.3Å; L5-A10 HydrophobicContact CB-CB 4.3Å; L5-V13 HydrophobicContact CD1-CG2 4.02Å | ||
| 6 | E | 80.2 | Confident | 70.3 | Confident | 130 Ų | 130 | 129.6 Ų | 129.6 | 61% | 0.607 | 68% | 0.675 | S | S | * | * | trans | -62.3 | 147.7 | 171.3 | -171.8 | 173 | 154 | 0 | 0 | 109.8 | K8 D9 A10 | E6-K8 PolarHBondContact O-N 3.32Å; E6-D9 WeakPolarHBondContact O-CA 3.33Å; E6-D9 PolarHBondContact O-N 3.23Å; E6-A10 PolarHBondContact O-N 2.86Å | ||
| 7 | A | 74.2 | Confident | 69.7 | Low | 64 Ų | 64 | 132.1 Ų | 132.1 | 53% | 0.529 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -50.6 | -41.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D9 A10 H11 | A7-D9 VanDerWaalsContact C-N 3.34Å; A7-D9 PolarHBondContact O-N 3.21Å; A7-A10 PolarHBondContact O-N 3.2Å; A7-H11 PolarHBondContact O-CD2 3.43Å; A7-H11 PolarHBondContact O-N 3.44Å |
| 8 | K | 76 | Confident | 69.1 | Low | 164 Ų | 164 | 130.4 Ų | 130.4 | 71% | 0.713 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -61 | -41.7 | 177.7 | -67.6 | 174.4 | -179.1 | 167.6 | 0 | 112.5 | E6 | E6-K8 PolarHBondContact O-N 3.32Å |
| 9 | D | 73.1 | Confident | 68.8 | Low | 87 Ų | 87 | 130.8 Ų | 130.8 | 47% | 0.465 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -76.6 | -35 | 179.4 | -64.5 | -26.5 | 0 | 0 | 0 | 111.1 | L5 E6 A7 H11 S12 V13 | L5-D9 HydrophobicContact CB-CB 4.3Å; E6-D9 WeakPolarHBondContact O-CA 3.33Å; E6-D9 PolarHBondContact O-N 3.23Å; A7-D9 VanDerWaalsContact C-N 3.34Å; A7-D9 PolarHBondContact O-N 3.21Å; D9-H11 VanDerWaalsContact C-N 3.35Å; D9-H11 PolarHBondContact O-N 3.19Å; D9-S12 WeakPolarHBondContact O-CB 3.49Å; D9-S12 PolarHBondContact O-N 3.35Å; D9-S12 VanDerWaalsContact O-N 3.13Å; D9-S12 PolarHBondContact O-OG 3.21Å; D9-V13 PolarHBondContact O-N 3.26Å |
| 10 | A | 75.3 | Confident | 67.8 | Low | 33 Ų | 33 | 129.7 Ų | 129.7 | 27% | 0.273 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -63 | -38.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L5 E6 A7 S12 V13 L14 | L5-A10 HydrophobicContact CB-CB 4.3Å; E6-A10 PolarHBondContact O-N 2.86Å; A7-A10 PolarHBondContact O-N 3.2Å; A10-S12 PolarHBondContact O-N 3.31Å; A10-V13 PolarHBondContact O-N 2.97Å; A10-L14 PolarHBondContact O-N 2.95Å; A10-L14 VanDerWaalsContact O-N 3.16Å |
| 11 | H | 67.3 | Low | 67.2 | Low | 142 Ų | 142 | 126.5 Ų | 126.5 | 66% | 0.657 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -65.6 | -23.9 | 174.8 | -72.4 | -60.7 | 0 | 0 | 0 | 113.3 | A7 D9 | A7-H11 PolarHBondContact O-CD2 3.43Å; A7-H11 PolarHBondContact O-N 3.44Å; D9-H11 VanDerWaalsContact C-N 3.35Å; D9-H11 PolarHBondContact O-N 3.19Å |
| 12 | S | 70.1 | Confident | 67.8 | Low | 76 Ų | 76 | 123.2 Ų | 123.2 | 53% | 0.531 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -75.4 | -27.1 | 176.4 | 79.8 | 0 | 0 | 0 | 0 | 113.1 | D9 A10 | D9-S12 WeakPolarHBondContact O-CB 3.49Å; D9-S12 PolarHBondContact O-N 3.35Å; D9-S12 VanDerWaalsContact O-N 3.13Å; D9-S12 PolarHBondContact O-OG 3.21Å; A10-S12 PolarHBondContact O-N 3.31Å |
| 13 | V | 71.4 | Confident | 67.1 | Low | 102 Ų | 102 | 127.9 Ų | 127.9 | 62% | 0.618 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -84 | -39.5 | 179.2 | -178.2 | 0 | 0 | 0 | 0 | 110.9 | L5 D9 A10 K15 | L5-V13 HydrophobicContact CD1-CG2 4.02Å; D9-V13 PolarHBondContact O-N 3.26Å; A10-V13 PolarHBondContact O-N 2.97Å; V13-K15 VanDerWaalsContact C-N 3.33Å; V13-K15 PolarHBondContact O-N 3.45Å; V13-K15 VanDerWaalsContact O-N 3.14Å |
| 14 | L | 66.9 | Low | 66.5 | Low | 140 Ų | 140 | 127 Ų | 127 | 73% | 0.733 | 64% | 0.639 | S | S | * | * | trans | -87.5 | 67 | 176.3 | -60.8 | 177.5 | 0 | 0 | 0 | 111.1 | A10 R16 | A10-L14 PolarHBondContact O-N 2.95Å; A10-L14 VanDerWaalsContact O-N 3.16Å; L14-R16 PolarHBondContact O-N 3.43Å | ||
| 15 | K | 61.3 | Low | 65.8 | Low | 162 Ų | 162 | 120 Ų | 120 | 70% | 0.704 | 61% | 0.609 | S | S | * | * | trans | -69.1 | 95.9 | 166.4 | -78.6 | -174.2 | 180 | 178.1 | 0 | 109.2 | V13 F17 | V13-K15 VanDerWaalsContact C-N 3.33Å; V13-K15 PolarHBondContact O-N 3.45Å; V13-K15 VanDerWaalsContact O-N 3.14Å; K15-F17 PolarHBondContact O-N 3.45Å; K15-F17 VanDerWaalsContact O-N 3.17Å | ||
| 16 | R | 64.8 | Low | 65 | Low | 211 Ų | 211 | 121.3 Ų | 121.3 | 80% | 0.796 | 61% | 0.612 | S | S | * | * | trans | -69 | 109.1 | 168.7 | -160.5 | 174 | -171.2 | -175.2 | -2.6 | 107.1 | L14 | L14-R16 PolarHBondContact O-N 3.43Š| ||
| 17 | F | 59.2 | Low | 64.2 | Low | 172 Ų | 172 | 122.2 Ų | 122.2 | 75% | 0.754 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 131.7 | 170.5 | -70.7 | -85.3 | 0 | 0 | 0 | 108 | K15 R19 | K15-F17 PolarHBondContact O-N 3.45Å; K15-F17 VanDerWaalsContact O-N 3.17Å; F17-R19 PolarHBondContact O-N 2.81Å |
| 18 | P | 59.6 | Low | 63.7 | Low | 102 Ų | 102 | 125.7 Ų | 125.7 | 66% | 0.662 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 130.3 | 172.6 | 23.3 | -30.3 | 0 | 0 | 0 | 107.6 | ||
| 19 | R | 62.3 | Low | 63.4 | Low | 137 Ų | 137 | 126.3 Ų | 126.3 | 52% | 0.517 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -64.1 | 149.7 | 169.3 | -68.4 | -171.2 | 172.6 | 120.5 | -13.8 | 106.8 | F17 N21 E44 | F17-R19 PolarHBondContact O-N 2.81Å; R19-N21 PolarHBondContact O-N 3.39Å; R19-E44 IonicContact CZ-OE2 3.58Å; R19-E44 IonicContact NH1-OE1 3.84Å; R19-E44 IonicContact NH1-OE2 2.73Å; R19-E44 PolarHBondContact NH1-OE2 3.5Å |
| 20 | A | 49.3 | Very low | 63.3 | Low | 109 Ų | 109 | 123 Ų | 123 | 90% | 0.901 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -67 | 81.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 21 | N | 56.4 | Low | 63.7 | Low | 63 Ų | 63 | 125.2 Ų | 125.2 | 34% | 0.337 | 62% | 0.622 | S | S | . | * | trans | -118.5 | 156.9 | 172.6 | -72.7 | 31.1 | 0 | 0 | 0 | 108.2 | R19 F23 E25 | R19-N21 PolarHBondContact O-N 3.39Å; N21-F23 VanDerWaalsContact C-N 3.27Å; N21-F23 PolarHBondContact O-N 3.37Å; N21-E25 HydrophobicContact CB-CB 4.42Å | ||
| 22 | E | 59.7 | Low | 64.5 | Low | 168 Ų | 168 | 120.5 Ų | 120.5 | 79% | 0.785 | 60% | 0.601 | S | S | * | * | trans | -68.8 | 75.8 | -166.3 | -162 | -179.8 | -165.3 | 0 | 0 | 112.3 | L24 | E22-L24 PolarHBondContact O-N 2.99Š| ||
| 23 | F | 53.3 | Low | 65.2 | Low | 197 Ų | 197 | 123.1 Ų | 123.1 | 86% | 0.864 | 61% | 0.605 | S | S | * | * | S | Bend | trans | 48.8 | -21.3 | 169.9 | -162.7 | -110.2 | 0 | 0 | 0 | 119.6 | N21 | N21-F23 VanDerWaalsContact C-N 3.27Å; N21-F23 PolarHBondContact O-N 3.37Å |
| 24 | L | 59 | Low | 65.8 | Low | 109 Ų | 109 | 119.9 Ų | 119.9 | 57% | 0.571 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -148.8 | 0.2 | -172.8 | -67.2 | 175.8 | 0 | 0 | 0 | 113.9 | E22 E26 L27 | E22-L24 PolarHBondContact O-N 2.99Å; L24-E26 VanDerWaalsContact C-N 3.33Å; L24-E26 PolarHBondContact O-N 3.11Å; L24-L27 HydrophobicContact CD2-CD1 3.94Å; L24-L27 PolarHBondContact O-N 2.96Å |
| 25 | E | 63.7 | Low | 66.6 | Low | 39 Ų | 39 | 113.8 Ų | 113.8 | 18% | 0.182 | 55% | 0.55 | C | S | . | . | G | 310 helix | trans | -61.3 | -39.5 | -176.1 | -165.1 | 164.7 | -143.1 | 0 | 0 | 112.6 | N21 L27 R28 | N21-E25 HydrophobicContact CB-CB 4.42Å; E25-L27 PolarHBondContact O-N 2.92Å; E25-L27 VanDerWaalsContact O-N 3.15Å; E25-R28 PolarHBondContact O-N 3.32Å; E25-R28 VanDerWaalsContact O-N 3.15Å |
| 26 | E | 61.8 | Low | 67.8 | Low | 140 Ų | 140 | 106.3 Ų | 106.3 | 65% | 0.654 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -66.2 | -15.2 | 178.1 | -65 | -175 | 167.3 | 0 | 0 | 114.5 | L24 | L24-E26 VanDerWaalsContact C-N 3.33Å; L24-E26 PolarHBondContact O-N 3.11Å |
| 27 | L | 63.6 | Low | 68.7 | Low | 149 Ų | 149 | 102.9 Ų | 102.9 | 78% | 0.78 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -91.6 | -11.3 | 178.3 | -71.7 | 165.4 | 0 | 0 | 0 | 112.7 | L24 E25 | L24-L27 HydrophobicContact CD2-CD1 3.94Å; L24-L27 PolarHBondContact O-N 2.96Å; E25-L27 PolarHBondContact O-N 2.92Å; E25-L27 VanDerWaalsContact O-N 3.15Å |
| 28 | R | 65.1 | Low | 69.8 | Low | 137 Ų | 137 | 101.4 Ų | 101.4 | 52% | 0.517 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -102.7 | 129.6 | -178.6 | -172.7 | 171.7 | 68.7 | -178.6 | -6.8 | 109.2 | E25 G30 R34 | E25-R28 PolarHBondContact O-N 3.32Å; E25-R28 VanDerWaalsContact O-N 3.15Å; R28-G30 PolarHBondContact O-N 3.46Å; R28-G30 VanDerWaalsContact O-N 3.08Å; R28-R34 VanDerWaalsContact NE-NH2 3.14Å |
| 29 | Q | 68.8 | Low | 70.9 | Confident | 177 Ų | 177 | 100.5 Ų | 100.5 | 83% | 0.827 | 49% | 0.494 | S | S | * | . | trans | -65.3 | 114.1 | 170.8 | -167.1 | 158.1 | 5.4 | 0 | 0 | 109.2 | ||||
| 30 | G | 70.7 | Confident | 71.9 | Confident | 17 Ų | 17 | 98.3 Ų | 98.3 | 18% | 0.175 | 49% | 0.492 | C | S | . | . | trans | -68.3 | 142.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R28 E35 V49 | R28-G30 PolarHBondContact O-N 3.46Å; R28-G30 VanDerWaalsContact O-N 3.08Å; G30-E35 WeakPolarHBondContact CA-OE1 3.34Å; G30-V49 WeakPolarHBondContact O-CG2 3.41Å | ||
| 31 | T | 83.4 | Confident | 73.7 | Confident | 81 Ų | 81 | 93.5 Ų | 93.5 | 50% | 0.497 | 45% | 0.452 | S | S | . | . | trans | -104.8 | 143.9 | 164.5 | 53.2 | 0 | 0 | 0 | 0 | 108.4 | E33 R34 E35 | T31-E33 PolarHBondContact O-N 2.85Å; T31-R34 PolarHBondContact O-N 3.2Å; T31-R34 VanDerWaalsContact O-N 3.16Å; T31-E35 WeakPolarHBondContact O-CG 3.33Å; T31-E35 PolarHBondContact O-N 3.28Å | ||
| 32 | I | 85.1 | Confident | 75.2 | Confident | 42 Ų | 42 | 93 Ų | 93 | 22% | 0.215 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -61 | -31.2 | -176.8 | -161.1 | 70.2 | 0 | 0 | 0 | 112.8 | C36 M37 V46 V49 F50 F59 | I32-C36 HydrophobicContact CD1-CB 3.91Å; I32-C36 WeakPolarHBondContact CD1-SG 3.3Å; I32-C36 HydrophobicContact CG1-CB 4.19Å; I32-C36 WeakPolarHBondContact O-CA 3.49Å; I32-C36 VanDerWaalsContact O-CB 3.32Å; I32-C36 WeakPolarHBondContact O-CB 3.21Å; I32-C36 PolarHBondContact O-N 3.46Å; I32-M37 PolarHBondContact O-N 2.78Å; I32-V46 HydrophobicContact CD1-CG1 4.25Å; I32-V46 HydrophobicContact CD1-CG2 4.26Å; I32-V49 HydrophobicContact CB-CG1 4.06Å; I32-F50 HydrophobicContact CB-CE2 4.48Å; I32-F50 HydrophobicContact CB-CZ 4.46Å; I32-F50 HydrophobicContact CD1-CD2 4.21Å; I32-F50 HydrophobicContact CD1-CE2 3.47Å; I32-F50 VanDerWaalsContact CD1-CE2 3.47Å; I32-F50 HydrophobicContact CD1-CZ 4.2Å; I32-F50 HydrophobicContact CG1-CE2 3.76Å; I32-F50 HydrophobicContact CG1-CZ 3.97Å; I32-F59 HydrophobicContact CD1-CD1 4.32Å; I32-F59 HydrophobicContact CD1-CE1 3.8Å; I32-F59 HydrophobicContact CD1-CE2 4.39Å; I32-F59 HydrophobicContact CD1-CZ 3.84Å; I32-F59 HydrophobicContact CG1-CD2 4.49Å; I32-F59 HydrophobicContact CG1-CE1 4.14Å; I32-F59 HydrophobicContact CG1-CE2 3.85Å; I32-F59 HydrophobicContact CG1-CZ 3.65Å |
| 33 | E | 84 | Confident | 76.5 | Confident | 132 Ų | 132 | 89.1 Ų | 89.1 | 62% | 0.617 | 43% | 0.432 | S | S | * | . | I | π-helix | trans | -63.8 | -49.3 | 176.6 | -174.1 | 170.8 | -163.1 | 0 | 0 | 111.1 | T31 M37 E38 | T31-E33 PolarHBondContact O-N 2.85Å; E33-M37 CarbonylContact O-C 3.53Å; E33-M37 WeakPolarHBondContact O-CA 3.38Å; E33-M37 WeakPolarHBondContact O-CB 3.2Å; E33-M37 PolarHBondContact O-N 2.77Å; E33-E38 PolarHBondContact O-N 3.29Å |
| 34 | R | 83.7 | Confident | 78 | Confident | 34 Ų | 34 | 83.5 Ų | 83.5 | 13% | 0.128 | 41% | 0.409 | C | S | . | . | I | π-helix | trans | -72.2 | -50.8 | 180 | -172.9 | -176.2 | 53.6 | 66.3 | -0.7 | 111.9 | R28 T31 E39 | R28-R34 VanDerWaalsContact NE-NH2 3.14Å; T31-R34 PolarHBondContact O-N 3.2Å; T31-R34 VanDerWaalsContact O-N 3.16Å; R34-E39 IonicContact NH1-OE1 3.87Å; R34-E39 WeakPolarHBondContact O-CB 3.33Å; R34-E39 WeakPolarHBondContact O-CG 3.39Å; R34-E39 PolarHBondContact O-N 3.5Å |
| 35 | E | 84 | Confident | 79.3 | Confident | 12 Ų | 12 | 80 Ų | 80 | 6% | 0.056 | 39% | 0.389 | C | S | . | . | I | π-helix | trans | -69.3 | -39.3 | -173.3 | -58.1 | -66.9 | -175.6 | 0 | 0 | 112.4 | G30 T31 E39 C41 | G30-E35 WeakPolarHBondContact CA-OE1 3.34Å; T31-E35 WeakPolarHBondContact O-CG 3.33Å; T31-E35 PolarHBondContact O-N 3.28Å; E35-E39 CarbonylContact O-C 3.08Å; E35-E39 WeakPolarHBondContact O-CB 3.3Å; E35-C41 HydrophobicContact CB-CB 4.31Å; E35-C41 WeakPolarHBondContact O-CB 3.13Å; E35-C41 PolarHBondContact O-N 2.83Å |
| 36 | C | 87 | Confident | 80.5 | Confident | 5 Ų | 5 | 78.1 Ų | 78.1 | 3% | 0.034 | 38% | 0.381 | C | S | . | . | I | π-helix | trans | -116.6 | -22.2 | -169 | -59.6 | 0 | 0 | 0 | 0 | 114.3 | I32 E39 C41 V46 F59 Y63 | I32-C36 HydrophobicContact CD1-CB 3.91Å; I32-C36 WeakPolarHBondContact CD1-SG 3.3Å; I32-C36 HydrophobicContact CG1-CB 4.19Å; I32-C36 WeakPolarHBondContact O-CA 3.49Å; I32-C36 VanDerWaalsContact O-CB 3.32Å; I32-C36 WeakPolarHBondContact O-CB 3.21Å; I32-C36 PolarHBondContact O-N 3.46Å; C36-E39 CarbonylContact C-O 3.44Å; C36-E39 WeakPolarHBondContact CA-O 3.48Å; C36-C41 VanDerWaalsContact CA-SG 3.56Å; C36-C41 HydrophobicContact CB-CB 4.06Å; C36-C41 WeakPolarHBondContact CB-SG 3.35Å; C36-C41 WeakPolarHBondContact SG-CB 3.2Å; C36-C41 CovalentContact SG-SG 2.02Å; C36-C41 PolarHBondContact SG-SG 3.21Å; C36-V46 VanDerWaalsContact SG-CG2 3.53Å; C36-F59 HydrophobicContact CB-CE1 4.04Å; C36-F59 HydrophobicContact CB-CZ 3.86Å; C36-Y63 HydrophobicContact CB-CE2 3.98Å; C36-Y63 WeakPolarHBondContact O-CE2 3.18Å |
| 37 | M | 83.1 | Confident | 81.9 | Confident | 138 Ų | 138 | 75.9 Ų | 75.9 | 68% | 0.68 | 37% | 0.369 | S | S | * | . | I | π-helix | trans | -96.2 | -40.9 | 178.1 | -55 | -70.4 | -64.1 | 0 | 0 | 111.9 | I32 E33 | I32-M37 PolarHBondContact O-N 2.78Å; E33-M37 CarbonylContact O-C 3.53Å; E33-M37 WeakPolarHBondContact O-CA 3.38Å; E33-M37 WeakPolarHBondContact O-CB 3.2Å; E33-M37 PolarHBondContact O-N 2.77Å |
| 38 | E | 82.8 | Confident | 83 | Confident | 141 Ų | 141 | 75.3 Ų | 75.3 | 66% | 0.659 | 36% | 0.362 | S | S | * | . | I | π-helix | trans | -85.2 | -37.4 | 175.1 | -62.3 | 178.8 | 170.4 | 0 | 0 | 111.4 | E33 | E33-E38 PolarHBondContact O-N 3.29Å |
| 39 | E | 82.3 | Confident | 83.9 | Confident | 83 Ų | 83 | 71 Ų | 71 | 39% | 0.388 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -116.2 | 174.4 | -178.5 | -58.2 | 179.7 | -139.1 | 0 | 0 | 111.6 | R34 E35 C36 | R34-E39 IonicContact NH1-OE1 3.87Å; R34-E39 WeakPolarHBondContact O-CB 3.33Å; R34-E39 WeakPolarHBondContact O-CG 3.39Å; R34-E39 PolarHBondContact O-N 3.5Å; E35-E39 CarbonylContact O-C 3.08Å; E35-E39 WeakPolarHBondContact O-CB 3.3Å; C36-E39 CarbonylContact C-O 3.44Å; C36-E39 WeakPolarHBondContact CA-O 3.48Å |
| 40 | I | 83.1 | Confident | 84.8 | Confident | 91 Ų | 91 | 65.2 Ų | 65.2 | 47% | 0.467 | 32% | 0.323 | S | S | . | . | trans | -105.5 | 112.5 | 178.7 | -69.3 | 164.3 | 0 | 0 | 0 | 109.5 | Y63 V67 | I40-Y63 VanDerWaalsContact CA-OH 3.29Å; I40-Y63 WeakPolarHBondContact CA-OH 3.3Å; I40-V67 HydrophobicContact CD1-CG1 4.01Å; I40-V67 HydrophobicContact CG1-CG1 4.21Å | ||
| 41 | C | 87 | Confident | 85.5 | Confident | 8 Ų | 8 | 72 Ų | 72 | 5% | 0.054 | 35% | 0.35 | C | S | . | . | trans | -101.1 | 155.9 | -176.2 | 68 | 0 | 0 | 0 | 0 | 113 | E35 C36 E45 V46 Y63 | E35-C41 HydrophobicContact CB-CB 4.31Å; E35-C41 WeakPolarHBondContact O-CB 3.13Å; E35-C41 PolarHBondContact O-N 2.83Å; C36-C41 VanDerWaalsContact CA-SG 3.56Å; C36-C41 HydrophobicContact CB-CB 4.06Å; C36-C41 WeakPolarHBondContact CB-SG 3.35Å; C36-C41 WeakPolarHBondContact SG-CB 3.2Å; C36-C41 CovalentContact SG-SG 2.02Å; C36-C41 PolarHBondContact SG-SG 3.21Å; C41-E45 VanDerWaalsContact CA-OE2 3.3Å; C41-E45 WeakPolarHBondContact CA-OE2 3.47Å; C41-E45 HydrophobicContact CB-CB 4.22Å; C41-E45 WeakPolarHBondContact CB-OE2 3.28Å; C41-V46 WeakPolarHBondContact SG-CG2 3.02Å; C41-Y63 PolarHBondContact N-OH 2.78Å; C41-Y63 WeakPolarHBondContact O-CE1 3.19Å | ||
| 42 | S | 87.4 | Confident | 85.8 | Confident | 53 Ų | 53 | 72.1 Ų | 72.1 | 37% | 0.371 | 35% | 0.348 | S | S | . | . | trans | -84.4 | 161.9 | 168.6 | 70.5 | 0 | 0 | 0 | 0 | 111.8 | E44 E45 V46 | S42-E44 PolarHBondContact O-N 3.15Å; S42-E45 WeakPolarHBondContact CB-OE2 3.26Å; S42-E45 PolarHBondContact N-OE2 3.44Å; S42-E45 PolarHBondContact O-N 2.72Å; S42-E45 VanDerWaalsContact OG-CD 3.29Å; S42-E45 PolarHBondContact OG-OE2 3.32Å; S42-V46 PolarHBondContact O-N 2.74Å | ||
| 43 | Y | 87.3 | Confident | 86 | Confident | 86 Ų | 86 | 78 Ų | 78 | 34% | 0.337 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.2 | -31.4 | 176.6 | 178.1 | -99.6 | 0 | 0 | 0 | 112.7 | E45 V46 K47 T56 W60 | Y43-E45 VanDerWaalsContact C-N 3.35Å; Y43-V46 PolarHBondContact O-N 3.36Å; Y43-K47 WeakPolarHBondContact O-CB 3.14Å; Y43-K47 PolarHBondContact O-N 3.49Å; Y43-T56 HydrophobicContact CD2-CG2 4.06Å; Y43-T56 HydrophobicContact CE2-CG2 3.45Å; Y43-T56 VanDerWaalsContact CE2-CG2 3.45Å; Y43-W60 VanDerWaalsContact CA-CZ3 3.49Å; Y43-W60 HydrophobicContact CD2-CB 4.16Å; Y43-W60 AromaticContact CD2-CD1 3.94Å; Y43-W60 AromaticContact CD2-CD2 3.6Å; Y43-W60 HydrophobicContact CD2-CD2 3.6Å; Y43-W60 AromaticContact CD2-CE2 3.9Å; Y43-W60 HydrophobicContact CD2-CE3 4.03Å; Y43-W60 AromaticContact CD2-CG 3.64Å; Y43-W60 HydrophobicContact CD2-CG 3.64Å; Y43-W60 HydrophobicContact CE2-CB 4.31Å; Y43-W60 HydrophobicContact CE2-CG 4.14Å; Y43-W60 HydrophobicContact CG-CD2 4.37Å; Y43-W60 VanDerWaalsContact N-CZ3 3.32Å |
| 44 | E | 86.3 | Confident | 86.3 | Confident | 80 Ų | 80 | 79.5 Ų | 79.5 | 37% | 0.374 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 179.7 | -66.4 | -170.5 | 163.9 | 0 | 0 | 110.8 | R19 S42 K47 E48 | R19-E44 IonicContact CZ-OE2 3.58Å; R19-E44 IonicContact NH1-OE1 3.84Å; R19-E44 IonicContact NH1-OE2 2.73Å; R19-E44 PolarHBondContact NH1-OE2 3.5Å; S42-E44 PolarHBondContact O-N 3.15Å; E44-K47 WeakPolarHBondContact O-CB 3.3Å; E44-K47 PolarHBondContact O-N 3.17Å; E44-E48 WeakPolarHBondContact O-CG 3.36Å; E44-E48 PolarHBondContact O-N 3.48Å |
| 45 | E | 86.2 | Confident | 86.4 | Confident | 35 Ų | 35 | 83.4 Ų | 83.4 | 16% | 0.164 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -67.4 | -42.8 | 176.9 | -71.6 | 154.2 | 161.7 | 0 | 0 | 111.9 | C41 S42 Y43 K47 E48 V49 | C41-E45 VanDerWaalsContact CA-OE2 3.3Å; C41-E45 WeakPolarHBondContact CA-OE2 3.47Å; C41-E45 HydrophobicContact CB-CB 4.22Å; C41-E45 WeakPolarHBondContact CB-OE2 3.28Å; S42-E45 WeakPolarHBondContact CB-OE2 3.26Å; S42-E45 PolarHBondContact N-OE2 3.44Å; S42-E45 PolarHBondContact O-N 2.72Å; S42-E45 VanDerWaalsContact OG-CD 3.29Å; S42-E45 PolarHBondContact OG-OE2 3.32Å; Y43-E45 VanDerWaalsContact C-N 3.35Å; E45-K47 VanDerWaalsContact C-N 3.26Å; E45-K47 PolarHBondContact O-N 2.74Å; E45-E48 PolarHBondContact O-N 2.96Å; E45-E48 VanDerWaalsContact O-N 3.16Å; E45-V49 WeakPolarHBondContact O-CG2 3.32Å; E45-V49 PolarHBondContact O-N 3.24Å |
| 46 | V | 88.3 | Confident | 86.8 | Confident | 0 Ų | 0 | 82.8 Ų | 82.8 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.6 | -39.6 | 174.5 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | I32 C36 C41 S42 Y43 E48 V49 F50 T56 F59 W60 | I32-V46 HydrophobicContact CD1-CG1 4.25Å; I32-V46 HydrophobicContact CD1-CG2 4.26Å; C36-V46 VanDerWaalsContact SG-CG2 3.53Å; C41-V46 WeakPolarHBondContact SG-CG2 3.02Å; S42-V46 PolarHBondContact O-N 2.74Å; Y43-V46 PolarHBondContact O-N 3.36Å; V46-E48 VanDerWaalsContact C-N 3.33Å; V46-V49 PolarHBondContact O-N 2.82Å; V46-F50 HydrophobicContact CG1-CD2 3.58Å; V46-F50 HydrophobicContact CG1-CE2 3.81Å; V46-F50 WeakPolarHBondContact O-CD2 3.01Å; V46-F50 PolarHBondContact O-N 3.06Å; V46-T56 HydrophobicContact CB-CG2 4.16Å; V46-T56 HydrophobicContact CG1-CG2 3.72Å; V46-F59 HydrophobicContact CG1-CD1 3.57Å; V46-F59 HydrophobicContact CG1-CE1 4.18Å; V46-F59 HydrophobicContact CG1-CG 4.36Å; V46-F59 HydrophobicContact CG2-CD1 4.15Å; V46-F59 HydrophobicContact CG2-CE1 4.01Å; V46-W60 HydrophobicContact CG2-CE3 3.96Å; V46-W60 HydrophobicContact CG2-CZ3 4.11Å |
| 47 | K | 90.2 | Very high | 86.9 | Confident | 92 Ų | 92 | 88.6 Ų | 88.6 | 40% | 0.4 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.8 | -36.8 | 178.2 | -167.1 | -167.5 | 76.7 | -169.3 | 0 | 111.7 | Y43 E44 E45 E51 T56 | Y43-K47 WeakPolarHBondContact O-CB 3.14Å; Y43-K47 PolarHBondContact O-N 3.49Å; E44-K47 WeakPolarHBondContact O-CB 3.3Å; E44-K47 PolarHBondContact O-N 3.17Å; E45-K47 VanDerWaalsContact C-N 3.26Å; E45-K47 PolarHBondContact O-N 2.74Å; K47-E51 WeakPolarHBondContact O-CA 3.28Å; K47-E51 PolarHBondContact O-N 2.83Å; K47-E51 VanDerWaalsContact O-N 3.09Å; K47-T56 HydrophobicContact CB-CG2 4.11Å |
| 48 | E | 86.8 | Confident | 87.2 | Confident | 137 Ų | 137 | 89.2 Ų | 89.2 | 64% | 0.64 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -67.3 | -35.1 | 176.3 | -74.6 | 175.9 | -172.9 | 0 | 0 | 112.3 | E44 E45 V46 | E44-E48 WeakPolarHBondContact O-CG 3.36Å; E44-E48 PolarHBondContact O-N 3.48Å; E45-E48 PolarHBondContact O-N 2.96Å; E45-E48 VanDerWaalsContact O-N 3.16Å; V46-E48 VanDerWaalsContact C-N 3.33Å |
| 49 | V | 85.3 | Confident | 87.5 | Confident | 48 Ų | 48 | 84.9 Ų | 84.9 | 29% | 0.291 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -77 | -42.9 | 178.8 | 179.7 | 0 | 0 | 0 | 0 | 112.9 | G30 I32 E45 V46 | G30-V49 WeakPolarHBondContact O-CG2 3.41Å; I32-V49 HydrophobicContact CB-CG1 4.06Å; E45-V49 WeakPolarHBondContact O-CG2 3.32Å; E45-V49 PolarHBondContact O-N 3.24Å; V46-V49 PolarHBondContact O-N 2.82Å |
| 50 | F | 86.4 | Confident | 87.8 | Confident | 55 Ų | 55 | 84.9 Ų | 84.9 | 24% | 0.241 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -86.4 | -19.1 | -174.4 | -76.7 | -73 | 0 | 0 | 0 | 114.1 | I32 V46 N52 K55 F59 | I32-F50 HydrophobicContact CB-CE2 4.48Å; I32-F50 HydrophobicContact CB-CZ 4.46Å; I32-F50 HydrophobicContact CD1-CD2 4.21Å; I32-F50 HydrophobicContact CD1-CE2 3.47Å; I32-F50 VanDerWaalsContact CD1-CE2 3.47Å; I32-F50 HydrophobicContact CD1-CZ 4.2Å; I32-F50 HydrophobicContact CG1-CE2 3.76Å; I32-F50 HydrophobicContact CG1-CZ 3.97Å; V46-F50 HydrophobicContact CG1-CD2 3.58Å; V46-F50 HydrophobicContact CG1-CE2 3.81Å; V46-F50 WeakPolarHBondContact O-CD2 3.01Å; V46-F50 PolarHBondContact O-N 3.06Å; F50-N52 WeakPolarHBondContact O-CB 3.47Å; F50-N52 PolarHBondContact O-N 3.49Å; F50-N52 PolarHBondContact O-ND2 2.85Å; F50-K55 HydrophobicContact CB-CB 4.28Å; F50-K55 HydrophobicContact CD1-CB 4.02Å; F50-K55 HydrophobicContact CG-CB 4.29Å; F50-F59 HydrophobicContact CE2-CB 4.01Å; F50-F59 HydrophobicContact CE2-CD1 4.18Å; F50-F59 HydrophobicContact CE2-CD2 4.16Å; F50-F59 AromaticContact CE2-CG 3.84Å; F50-F59 HydrophobicContact CE2-CG 3.84Å; F50-F59 HydrophobicContact CZ-CB 4.33Å; F50-F59 HydrophobicContact CZ-CD2 4.13Å; F50-F59 HydrophobicContact CZ-CG 4.22Å |
| 51 | E | 85.9 | Confident | 88.2 | Confident | 158 Ų | 158 | 89 Ų | 89 | 74% | 0.738 | 41% | 0.413 | S | S | * | . | trans | 52.7 | -9.8 | -174.9 | -63.2 | -178.5 | 176.4 | 0 | 0 | 115.6 | K47 | K47-E51 WeakPolarHBondContact O-CA 3.28Å; K47-E51 PolarHBondContact O-N 2.83Å; K47-E51 VanDerWaalsContact O-N 3.09Å | ||
| 52 | N | 89.6 | Confident | 88.1 | Confident | 85 Ų | 85 | 90.5 Ų | 90.5 | 46% | 0.455 | 43% | 0.431 | S | S | . | . | trans | -119.6 | 119.4 | -172.4 | -66.7 | -74.8 | 0 | 0 | 0 | 109.8 | F50 E54 K55 T56 | F50-N52 WeakPolarHBondContact O-CB 3.47Å; F50-N52 PolarHBondContact O-N 3.49Å; F50-N52 PolarHBondContact O-ND2 2.85Å; N52-E54 VanDerWaalsContact C-N 3.3Å; N52-E54 PolarHBondContact O-N 3.32Å; N52-K55 HydrophobicContact CB-CB 4.35Å; N52-K55 HydrophobicContact CB-CD 4.3Å; N52-K55 HydrophobicContact CB-CG 4.33Å; N52-K55 PolarHBondContact O-N 3.28Å; N52-T56 PolarHBondContact O-N 2.99Å; N52-T56 PolarHBondContact O-OG1 3.45Å | ||
| 53 | K | 88.5 | Confident | 88 | Confident | 165 Ų | 165 | 88.8 Ų | 88.8 | 72% | 0.717 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -58.6 | -37.6 | -175.4 | -65.7 | -179.7 | -179.3 | 177.1 | 0 | 113.8 | M57 | K53-M57 WeakPolarHBondContact O-CB 3.38Å; K53-M57 PolarHBondContact O-N 3Å |
| 54 | E | 90.8 | Very high | 87.8 | Confident | 163 Ų | 163 | 87 Ų | 87 | 76% | 0.762 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -64.9 | -49.5 | -178.9 | -65.4 | 174.6 | -176.8 | 0 | 0 | 111.1 | N52 T56 M57 E58 | N52-E54 VanDerWaalsContact C-N 3.3Å; N52-E54 PolarHBondContact O-N 3.32Å; E54-T56 PolarHBondContact O-N 3.32Å; E54-M57 PolarHBondContact O-N 3.24Å; E54-E58 WeakPolarHBondContact O-CG 3.3Å; E54-E58 PolarHBondContact O-N 2.89Å |
| 55 | K | 87.1 | Confident | 87.6 | Confident | 116 Ų | 116 | 88.6 Ų | 88.6 | 50% | 0.504 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 177.2 | -65.5 | -176.7 | 179.4 | 175.5 | 0 | 112.3 | F50 N52 M57 E58 F59 | F50-K55 HydrophobicContact CB-CB 4.28Å; F50-K55 HydrophobicContact CD1-CB 4.02Å; F50-K55 HydrophobicContact CG-CB 4.29Å; N52-K55 HydrophobicContact CB-CB 4.35Å; N52-K55 HydrophobicContact CB-CD 4.3Å; N52-K55 HydrophobicContact CB-CG 4.33Å; N52-K55 PolarHBondContact O-N 3.28Å; K55-M57 VanDerWaalsContact C-N 3.31Å; K55-M57 PolarHBondContact O-N 3.41Å; K55-E58 PolarHBondContact O-N 3.42Å; K55-F59 WeakPolarHBondContact O-CB 3.25Å; K55-F59 PolarHBondContact O-N 2.9Å; K55-F59 VanDerWaalsContact O-N 3.08Å |
| 56 | T | 90.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 89.3 Ų | 89.3 | 0% | 0 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -58.6 | -43.9 | 174.1 | -57.2 | 0 | 0 | 0 | 0 | 110.9 | Y43 V46 K47 N52 E54 W60 | Y43-T56 HydrophobicContact CD2-CG2 4.06Å; Y43-T56 HydrophobicContact CE2-CG2 3.45Å; Y43-T56 VanDerWaalsContact CE2-CG2 3.45Å; V46-T56 HydrophobicContact CB-CG2 4.16Å; V46-T56 HydrophobicContact CG1-CG2 3.72Å; K47-T56 HydrophobicContact CB-CG2 4.11Å; N52-T56 PolarHBondContact O-N 2.99Å; N52-T56 PolarHBondContact O-OG1 3.45Å; E54-T56 PolarHBondContact O-N 3.32Å; T56-W60 WeakPolarHBondContact O-CB 3.48Å; T56-W60 PolarHBondContact O-N 3.26Å |
| 57 | M | 89 | Confident | 86.8 | Confident | 127 Ų | 127 | 90.4 Ų | 90.4 | 63% | 0.626 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -69.7 | -41.2 | -178.3 | -173.4 | 177.8 | -67.1 | 0 | 0 | 112.5 | K53 E54 K55 F59 W60 K61 | K53-M57 WeakPolarHBondContact O-CB 3.38Å; K53-M57 PolarHBondContact O-N 3Å; E54-M57 PolarHBondContact O-N 3.24Å; K55-M57 VanDerWaalsContact C-N 3.31Å; K55-M57 PolarHBondContact O-N 3.41Å; M57-F59 VanDerWaalsContact C-N 3.35Å; M57-W60 PolarHBondContact O-N 2.9Å; M57-K61 WeakPolarHBondContact O-CB 3.45Å; M57-K61 PolarHBondContact O-N 3.42Å |
| 58 | E | 90 | Very high | 85.8 | Confident | 150 Ų | 150 | 93.8 Ų | 93.8 | 70% | 0.701 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -59.3 | -46.8 | 175.4 | -72.9 | 179.7 | 169.2 | 0 | 0 | 111.4 | E54 K55 | E54-E58 WeakPolarHBondContact O-CG 3.3Å; E54-E58 PolarHBondContact O-N 2.89Å; K55-E58 PolarHBondContact O-N 3.42Å |
| 59 | F | 88.4 | Confident | 84.8 | Confident | 51 Ų | 51 | 90.6 Ų | 90.6 | 22% | 0.224 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -65 | -49.8 | 175.6 | -178.9 | -91.6 | 0 | 0 | 0 | 111.8 | I32 C36 V46 F50 K55 M57 K61 G62 Y63 | I32-F59 HydrophobicContact CD1-CD1 4.32Å; I32-F59 HydrophobicContact CD1-CE1 3.8Å; I32-F59 HydrophobicContact CD1-CE2 4.39Å; I32-F59 HydrophobicContact CD1-CZ 3.84Å; I32-F59 HydrophobicContact CG1-CD2 4.49Å; I32-F59 HydrophobicContact CG1-CE1 4.14Å; I32-F59 HydrophobicContact CG1-CE2 3.85Å; I32-F59 HydrophobicContact CG1-CZ 3.65Å; C36-F59 HydrophobicContact CB-CE1 4.04Å; C36-F59 HydrophobicContact CB-CZ 3.86Å; V46-F59 HydrophobicContact CG1-CD1 3.57Å; V46-F59 HydrophobicContact CG1-CE1 4.18Å; V46-F59 HydrophobicContact CG1-CG 4.36Å; V46-F59 HydrophobicContact CG2-CD1 4.15Å; V46-F59 HydrophobicContact CG2-CE1 4.01Å; F50-F59 HydrophobicContact CE2-CB 4.01Å; F50-F59 HydrophobicContact CE2-CD1 4.18Å; F50-F59 HydrophobicContact CE2-CD2 4.16Å; F50-F59 AromaticContact CE2-CG 3.84Å; F50-F59 HydrophobicContact CE2-CG 3.84Å; F50-F59 HydrophobicContact CZ-CB 4.33Å; F50-F59 HydrophobicContact CZ-CD2 4.13Å; F50-F59 HydrophobicContact CZ-CG 4.22Å; K55-F59 WeakPolarHBondContact O-CB 3.25Å; K55-F59 PolarHBondContact O-N 2.9Å; K55-F59 VanDerWaalsContact O-N 3.08Å; M57-F59 VanDerWaalsContact C-N 3.35Å; F59-K61 PolarHBondContact O-N 2.89Å; F59-G62 PolarHBondContact O-N 3.28Å; F59-G62 VanDerWaalsContact O-N 3.09Å; F59-Y63 AromaticContact CE1-CD2 3.89Å; F59-Y63 HydrophobicContact CE1-CD2 3.89Å; F59-Y63 HydrophobicContact CE1-CG 4.13Å; F59-Y63 HydrophobicContact CZ-CD2 4.09Å; F59-Y63 WeakPolarHBondContact O-CB 3.2Å; F59-Y63 PolarHBondContact O-N 2.91Å |
| 60 | W | 90.4 | Very high | 83.8 | Confident | 83 Ų | 83 | 94.4 Ų | 94.4 | 31% | 0.314 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.7 | -29.8 | -176.6 | -171.4 | -103.5 | 0 | 0 | 0 | 113.1 | Y43 V46 T56 M57 G62 Y63 P64 | Y43-W60 VanDerWaalsContact CA-CZ3 3.49Å; Y43-W60 HydrophobicContact CD2-CB 4.16Å; Y43-W60 AromaticContact CD2-CD1 3.94Å; Y43-W60 AromaticContact CD2-CD2 3.6Å; Y43-W60 HydrophobicContact CD2-CD2 3.6Å; Y43-W60 AromaticContact CD2-CE2 3.9Å; Y43-W60 HydrophobicContact CD2-CE3 4.03Å; Y43-W60 AromaticContact CD2-CG 3.64Å; Y43-W60 HydrophobicContact CD2-CG 3.64Å; Y43-W60 HydrophobicContact CE2-CB 4.31Å; Y43-W60 HydrophobicContact CE2-CG 4.14Å; Y43-W60 HydrophobicContact CG-CD2 4.37Å; Y43-W60 VanDerWaalsContact N-CZ3 3.32Å; V46-W60 HydrophobicContact CG2-CE3 3.96Å; V46-W60 HydrophobicContact CG2-CZ3 4.11Å; T56-W60 WeakPolarHBondContact O-CB 3.48Å; T56-W60 PolarHBondContact O-N 3.26Å; M57-W60 PolarHBondContact O-N 2.9Å; W60-G62 VanDerWaalsContact C-N 3.32Å; W60-G62 PolarHBondContact O-N 3.46Å; W60-Y63 AromaticContact CE3-CD1 3.88Å; W60-Y63 HydrophobicContact CE3-CD1 3.88Å; W60-Y63 HydrophobicContact CH2-CD1 4.24Å; W60-Y63 HydrophobicContact CH2-CE1 4.44Å; W60-Y63 AromaticContact CZ3-CD1 3.64Å; W60-Y63 HydrophobicContact CZ3-CD1 3.64Å; W60-Y63 AromaticContact CZ3-CE1 3.96Å; W60-Y63 HydrophobicContact CZ3-CE1 3.96Å; W60-Y63 PolarHBondContact O-N 3.01Å; W60-P64 WeakPolarHBondContact O-CD 3.21Å |
| 61 | K | 89.7 | Confident | 82.6 | Confident | 176 Ų | 176 | 99.1 Ų | 99.1 | 77% | 0.765 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.6 | -35.1 | 176.2 | -173.7 | 178.9 | 179.2 | -178.4 | 0 | 112.6 | M57 F59 | M57-K61 WeakPolarHBondContact O-CB 3.45Å; M57-K61 PolarHBondContact O-N 3.42Å; F59-K61 PolarHBondContact O-N 2.89Å |
| 62 | G | 85.7 | Confident | 81.2 | Confident | 41 Ų | 41 | 96.2 Ų | 96.2 | 42% | 0.423 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -86.7 | -24.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | F59 W60 N65 A66 | F59-G62 PolarHBondContact O-N 3.28Å; F59-G62 VanDerWaalsContact O-N 3.09Å; W60-G62 VanDerWaalsContact C-N 3.32Å; W60-G62 PolarHBondContact O-N 3.46Å; G62-N65 PolarHBondContact O-N 3.43Å; G62-A66 PolarHBondContact O-N 2.81Å |
| 63 | Y | 86.1 | Confident | 79.6 | Confident | 16 Ų | 16 | 96.2 Ų | 96.2 | 6% | 0.063 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -59.2 | -49.7 | -170.7 | 179.3 | -112.1 | 0 | 0 | 0 | 115.2 | C36 I40 C41 F59 W60 N65 A66 V67 | C36-Y63 HydrophobicContact CB-CE2 3.98Å; C36-Y63 WeakPolarHBondContact O-CE2 3.18Å; I40-Y63 VanDerWaalsContact CA-OH 3.29Å; I40-Y63 WeakPolarHBondContact CA-OH 3.3Å; C41-Y63 PolarHBondContact N-OH 2.78Å; C41-Y63 WeakPolarHBondContact O-CE1 3.19Å; F59-Y63 AromaticContact CE1-CD2 3.89Å; F59-Y63 HydrophobicContact CE1-CD2 3.89Å; F59-Y63 HydrophobicContact CE1-CG 4.13Å; F59-Y63 HydrophobicContact CZ-CD2 4.09Å; F59-Y63 WeakPolarHBondContact O-CB 3.2Å; F59-Y63 PolarHBondContact O-N 2.91Å; W60-Y63 AromaticContact CE3-CD1 3.88Å; W60-Y63 HydrophobicContact CE3-CD1 3.88Å; W60-Y63 HydrophobicContact CH2-CD1 4.24Å; W60-Y63 HydrophobicContact CH2-CE1 4.44Å; W60-Y63 AromaticContact CZ3-CD1 3.64Å; W60-Y63 HydrophobicContact CZ3-CD1 3.64Å; W60-Y63 AromaticContact CZ3-CE1 3.96Å; W60-Y63 HydrophobicContact CZ3-CE1 3.96Å; W60-Y63 PolarHBondContact O-N 3.01Å; Y63-N65 VanDerWaalsContact C-N 3.29Å; Y63-N65 PolarHBondContact O-N 3.24Å; Y63-A66 WeakPolarHBondContact O-CB 3.32Å; Y63-A66 PolarHBondContact O-N 3.36Å; Y63-A66 VanDerWaalsContact O-N 3.13Å; Y63-V67 HydrophobicContact CD1-CG2 4.33Å; Y63-V67 HydrophobicContact CD2-CG2 4.05Å; Y63-V67 HydrophobicContact CE1-CG2 3.84Å; Y63-V67 HydrophobicContact CE2-CG2 3.47Å; Y63-V67 VanDerWaalsContact CE2-CG2 3.47Å; Y63-V67 HydrophobicContact CG-CG2 4.43Å; Y63-V67 WeakPolarHBondContact O-CG2 3.13Å; Y63-V67 PolarHBondContact O-N 2.76Å |
| 64 | P | 83.3 | Confident | 78 | Confident | 48 Ų | 48 | 92 Ų | 92 | 31% | 0.312 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -56.2 | -42.6 | 179.7 | -26.3 | 32.8 | 0 | 0 | 0 | 112.8 | W60 A66 V67 Y68 | W60-P64 WeakPolarHBondContact O-CD 3.21Å; P64-A66 VanDerWaalsContact C-N 3.32Å; P64-A66 PolarHBondContact O-N 3.29Å; P64-V67 PolarHBondContact O-N 3.4Å; P64-Y68 HydrophobicContact CB-CD2 4.41Å; P64-Y68 HydrophobicContact CB-CE2 4.12Å; P64-Y68 WeakPolarHBondContact O-CD2 3.22Å; P64-Y68 PolarHBondContact O-N 3.14Å |
| 65 | N | 80.4 | Confident | 76.4 | Confident | 115 Ų | 115 | 92.3 Ų | 92.3 | 62% | 0.615 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -65.1 | -38.1 | -178.5 | -60.9 | -35.4 | 0 | 0 | 0 | 111.7 | G62 Y63 S69 | G62-N65 PolarHBondContact O-N 3.43Å; Y63-N65 VanDerWaalsContact C-N 3.29Å; Y63-N65 PolarHBondContact O-N 3.24Å; N65-S69 PolarHBondContact O-N 2.7Å; N65-S69 VanDerWaalsContact O-N 3.1Å; N65-S69 PolarHBondContact O-OG 2.87Å |
| 66 | A | 78.9 | Confident | 75.1 | Confident | 49 Ų | 49 | 90.2 Ų | 90.2 | 41% | 0.405 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.9 | -45.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | G62 Y63 P64 Y68 S69 V70 | G62-A66 PolarHBondContact O-N 2.81Å; Y63-A66 WeakPolarHBondContact O-CB 3.32Å; Y63-A66 PolarHBondContact O-N 3.36Å; Y63-A66 VanDerWaalsContact O-N 3.13Å; P64-A66 VanDerWaalsContact C-N 3.32Å; P64-A66 PolarHBondContact O-N 3.29Å; A66-Y68 PolarHBondContact O-N 2.64Å; A66-S69 PolarHBondContact O-N 3.46Å; A66-S69 PolarHBondContact O-OG 3.18Å; A66-V70 WeakPolarHBondContact O-CG2 3.42Å; A66-V70 PolarHBondContact O-N 3.16Å |
| 67 | V | 79.8 | Confident | 73.7 | Confident | 23 Ų | 23 | 92.3 Ų | 92.3 | 14% | 0.139 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -62 | -42.7 | 178.7 | 175.9 | 0 | 0 | 0 | 0 | 111.8 | I40 Y63 P64 V70 R71 | I40-V67 HydrophobicContact CD1-CG1 4.01Å; I40-V67 HydrophobicContact CG1-CG1 4.21Å; Y63-V67 HydrophobicContact CD1-CG2 4.33Å; Y63-V67 HydrophobicContact CD2-CG2 4.05Å; Y63-V67 HydrophobicContact CE1-CG2 3.84Å; Y63-V67 HydrophobicContact CE2-CG2 3.47Å; Y63-V67 VanDerWaalsContact CE2-CG2 3.47Å; Y63-V67 HydrophobicContact CG-CG2 4.43Å; Y63-V67 WeakPolarHBondContact O-CG2 3.13Å; Y63-V67 PolarHBondContact O-N 2.76Å; P64-V67 PolarHBondContact O-N 3.4Å; V67-V70 PolarHBondContact O-N 3Å; V67-R71 VanDerWaalsContact O-CB 3.26Å; V67-R71 WeakPolarHBondContact O-CB 3.12Å; V67-R71 WeakPolarHBondContact O-CG 3.28Å; V67-R71 PolarHBondContact O-N 3.31Å |
| 68 | Y | 69.3 | Low | 72.6 | Confident | 164 Ų | 164 | 91.7 Ų | 91.7 | 64% | 0.643 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.5 | -39.7 | 177.2 | -70.8 | -63.4 | 0 | 0 | 0 | 112.2 | P64 A66 V70 R71 D72 | P64-Y68 HydrophobicContact CB-CD2 4.41Å; P64-Y68 HydrophobicContact CB-CE2 4.12Å; P64-Y68 WeakPolarHBondContact O-CD2 3.22Å; P64-Y68 PolarHBondContact O-N 3.14Å; A66-Y68 PolarHBondContact O-N 2.64Å; Y68-V70 PolarHBondContact O-N 3.23Å; Y68-R71 CarbonylContact O-C 3.2Å; Y68-R71 PolarHBondContact O-N 3.45Å; Y68-D72 PolarHBondContact O-N 3.47Å |
| 69 | S | 65.3 | Low | 72 | Confident | 70 Ų | 70 | 86.7 Ų | 86.7 | 49% | 0.49 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.1 | -34.2 | 177.3 | 70.1 | 0 | 0 | 0 | 0 | 113.7 | N65 A66 | N65-S69 PolarHBondContact O-N 2.7Å; N65-S69 VanDerWaalsContact O-N 3.1Å; N65-S69 PolarHBondContact O-OG 2.87Å; A66-S69 PolarHBondContact O-N 3.46Å; A66-S69 PolarHBondContact O-OG 3.18Å |
| 70 | V | 63.6 | Low | 71.7 | Confident | 128 Ų | 128 | 88.9 Ų | 88.9 | 78% | 0.776 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -73.8 | -33.3 | 174.5 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | A66 V67 Y68 | A66-V70 WeakPolarHBondContact O-CG2 3.42Å; A66-V70 PolarHBondContact O-N 3.16Å; V67-V70 PolarHBondContact O-N 3Å; Y68-V70 PolarHBondContact O-N 3.23Å |
| 71 | R | 61 | Low | 71.3 | Confident | 154 Ų | 154 | 92.7 Ų | 92.7 | 58% | 0.581 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -86.6 | -1.5 | 179.8 | -80.3 | -176.4 | 158.9 | 178.2 | -6.1 | 114.7 | V67 Y68 P73 | V67-R71 VanDerWaalsContact O-CB 3.26Å; V67-R71 WeakPolarHBondContact O-CB 3.12Å; V67-R71 WeakPolarHBondContact O-CG 3.28Å; V67-R71 PolarHBondContact O-N 3.31Å; Y68-R71 CarbonylContact O-C 3.2Å; Y68-R71 PolarHBondContact O-N 3.45Å; R71-P73 WeakPolarHBondContact O-CA 3.29Å; R71-P73 WeakPolarHBondContact O-CD 3.29Å |
| 72 | D | 57 | Low | 71.3 | Confident | 97 Ų | 97 | 88.9 Ų | 88.9 | 52% | 0.519 | 49% | 0.492 | S | S | . | . | trans | -44 | 99 | -177.5 | -90.8 | -37.2 | 0 | 0 | 0 | 110.4 | Y68 S74 | Y68-D72 PolarHBondContact O-N 3.47Å; D72-S74 PolarHBondContact O-N 2.82Å | ||
| 73 | P | 56.7 | Low | 71.5 | Confident | 84 Ų | 84 | 90.3 Ų | 90.3 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -84.2 | -1.6 | -169 | 30.8 | -28.2 | 0 | 0 | 0 | 111 | R71 S76 S77 | R71-P73 WeakPolarHBondContact O-CA 3.29Å; R71-P73 WeakPolarHBondContact O-CD 3.29Å; P73-S76 WeakPolarHBondContact CA-OG 3.23Å; P73-S76 PolarHBondContact O-OG 2.88Å; P73-S77 VanDerWaalsContact O-CB 3.28Å; P73-S77 WeakPolarHBondContact O-CB 3.35Å; P73-S77 PolarHBondContact O-N 3.15Å; P73-S77 PolarHBondContact O-OG 2.96Å |
| 74 | S | 55.6 | Low | 71.7 | Confident | 78 Ų | 78 | 94 Ų | 94 | 55% | 0.545 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -72.4 | -26.6 | -178.1 | 67.3 | 0 | 0 | 0 | 0 | 112.6 | D72 | D72-S74 PolarHBondContact O-N 2.82Å |
| 75 | Q | 56.1 | Low | 72.3 | Confident | 168 Ų | 168 | 95.2 Ų | 95.2 | 79% | 0.785 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -87.8 | -31.3 | 171.9 | -82.6 | -174.6 | 11.2 | 0 | 0 | 113.3 | A79 | Q75-A79 WeakPolarHBondContact O-CB 3.39Å; Q75-A79 PolarHBondContact O-N 3.48Å |
| 76 | S | 59.3 | Low | 73 | Confident | 73 Ų | 73 | 95.1 Ų | 95.1 | 51% | 0.51 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -84.8 | -29.7 | -175 | 58.7 | 0 | 0 | 0 | 0 | 113.4 | P73 M80 | P73-S76 WeakPolarHBondContact CA-OG 3.23Å; P73-S76 PolarHBondContact O-OG 2.88Å; S76-M80 VanDerWaalsContact O-CB 3.23Å; S76-M80 WeakPolarHBondContact O-CB 3.48Å; S76-M80 PolarHBondContact O-N 2.71Å |
| 77 | S | 61.7 | Low | 73.8 | Confident | 43 Ų | 43 | 97.4 Ų | 97.4 | 30% | 0.301 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.6 | -45 | 175.7 | 55.8 | 0 | 0 | 0 | 0 | 112.2 | P73 A79 M80 Y81 | P73-S77 VanDerWaalsContact O-CB 3.28Å; P73-S77 WeakPolarHBondContact O-CB 3.35Å; P73-S77 PolarHBondContact O-N 3.15Å; P73-S77 PolarHBondContact O-OG 2.96Å; S77-A79 VanDerWaalsContact C-N 3.34Å; S77-A79 PolarHBondContact O-N 2.96Å; S77-M80 WeakPolarHBondContact O-CB 3.27Å; S77-M80 PolarHBondContact O-N 3.32Å; S77-M80 VanDerWaalsContact O-N 3.16Å; S77-Y81 WeakPolarHBondContact O-CD2 2.96Å; S77-Y81 PolarHBondContact O-N 2.87Å |
| 78 | D | 67 | Low | 74.6 | Confident | 114 Ų | 114 | 97.9 Ų | 97.9 | 61% | 0.61 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.8 | -39.9 | 175.7 | -73 | -13.5 | 0 | 0 | 0 | 111.7 | ||
| 79 | A | 76 | Confident | 75.9 | Confident | 46 Ų | 46 | 94.1 Ų | 94.1 | 38% | 0.38 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.2 | -37.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q75 S77 Y81 V82 V83 | Q75-A79 WeakPolarHBondContact O-CB 3.39Å; Q75-A79 PolarHBondContact O-N 3.48Å; S77-A79 VanDerWaalsContact C-N 3.34Å; S77-A79 PolarHBondContact O-N 2.96Å; A79-Y81 PolarHBondContact O-N 2.72Å; A79-V82 PolarHBondContact O-N 2.98Å; A79-V83 VanDerWaalsContact O-CB 3.22Å; A79-V83 WeakPolarHBondContact O-CB 3.33Å; A79-V83 WeakPolarHBondContact O-CG2 3.43Å; A79-V83 PolarHBondContact O-N 3.32Å |
| 80 | M | 82.4 | Confident | 77.5 | Confident | 96 Ų | 96 | 92.9 Ų | 92.9 | 47% | 0.473 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 179.3 | -176 | -173 | 73 | 0 | 0 | 111.9 | S76 S77 V82 V83 V84 | S76-M80 VanDerWaalsContact O-CB 3.23Å; S76-M80 WeakPolarHBondContact O-CB 3.48Å; S76-M80 PolarHBondContact O-N 2.71Å; S77-M80 WeakPolarHBondContact O-CB 3.27Å; S77-M80 PolarHBondContact O-N 3.32Å; S77-M80 VanDerWaalsContact O-N 3.16Å; M80-V82 PolarHBondContact O-N 3.17Å; M80-V83 PolarHBondContact O-N 3.23Å; M80-V84 HydrophobicContact CG-CG2 3.82Å; M80-V84 VanDerWaalsContact O-CB 3.3Å; M80-V84 WeakPolarHBondContact O-CB 3.26Å; M80-V84 VanDerWaalsContact O-CG2 3.29Å; M80-V84 WeakPolarHBondContact O-CG2 3.19Å; M80-V84 PolarHBondContact O-N 3.26Å |
| 81 | Y | 82.7 | Confident | 79.1 | Confident | 164 Ų | 164 | 92.1 Ų | 92.1 | 64% | 0.643 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.1 | -21 | 179 | -69.2 | -67.1 | 0 | 0 | 0 | 113.9 | S77 A79 P85 | S77-Y81 WeakPolarHBondContact O-CD2 2.96Å; S77-Y81 PolarHBondContact O-N 2.87Å; A79-Y81 PolarHBondContact O-N 2.72Å; Y81-P85 WeakPolarHBondContact O-CD 3.41Å; Y81-P85 WeakPolarHBondContact O-CG 3.42Å |
| 82 | V | 88.9 | Confident | 80.8 | Confident | 96 Ų | 96 | 90.5 Ų | 90.5 | 58% | 0.582 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -91.8 | -44.4 | 174.9 | 178.8 | 0 | 0 | 0 | 0 | 110.7 | A79 M80 L86 | A79-V82 PolarHBondContact O-N 2.98Å; M80-V82 PolarHBondContact O-N 3.17Å; V82-L86 WeakPolarHBondContact O-CB 3.49Å; V82-L86 PolarHBondContact O-N 3.16Å; V82-L86 VanDerWaalsContact O-N 3.15Å |
| 83 | V | 89.5 | Confident | 82.8 | Confident | 71 Ų | 71 | 90.4 Ų | 90.4 | 43% | 0.43 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.7 | -42.7 | -174.3 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | A79 M80 L86 L87 | A79-V83 VanDerWaalsContact O-CB 3.22Å; A79-V83 WeakPolarHBondContact O-CB 3.33Å; A79-V83 WeakPolarHBondContact O-CG2 3.43Å; A79-V83 PolarHBondContact O-N 3.32Å; M80-V83 PolarHBondContact O-N 3.23Å; V83-L86 PolarHBondContact O-N 3.04Å; V83-L87 HydrophobicContact CG1-CD1 3.68Å; V83-L87 HydrophobicContact CG1-CG 4.09Å; V83-L87 WeakPolarHBondContact O-CB 3.48Å; V83-L87 VanDerWaalsContact O-CG 3.29Å; V83-L87 WeakPolarHBondContact O-CG 3.34Å; V83-L87 PolarHBondContact O-N 3.49Å |
| 84 | V | 92.1 | Very high | 84.7 | Confident | 92 Ų | 92 | 90.9 Ų | 90.9 | 56% | 0.558 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.1 | -49.5 | -177.4 | 173.1 | 0 | 0 | 0 | 0 | 111.9 | M80 L86 G88 | M80-V84 HydrophobicContact CG-CG2 3.82Å; M80-V84 VanDerWaalsContact O-CB 3.3Å; M80-V84 WeakPolarHBondContact O-CB 3.26Å; M80-V84 VanDerWaalsContact O-CG2 3.29Å; M80-V84 WeakPolarHBondContact O-CG2 3.19Å; M80-V84 PolarHBondContact O-N 3.26Å; V84-L86 PolarHBondContact O-N 3.33Å; V84-G88 PolarHBondContact O-N 3.46Å |
| 85 | P | 95.2 | Very high | 86.7 | Confident | 75 Ų | 75 | 91.5 Ų | 91.5 | 49% | 0.487 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64 | -37.9 | 173.8 | -25.1 | 37.8 | 0 | 0 | 0 | 113.1 | Y81 G88 V89 | Y81-P85 WeakPolarHBondContact O-CD 3.41Å; Y81-P85 WeakPolarHBondContact O-CG 3.42Å; P85-G88 PolarHBondContact O-N 2.87Å; P85-V89 VanDerWaalsContact O-CG2 3.28Å; P85-V89 WeakPolarHBondContact O-CG2 3.48Å; P85-V89 PolarHBondContact O-N 2.89Å |
| 86 | L | 95.1 | Very high | 88.7 | Confident | 112 Ų | 112 | 85.7 Ų | 85.7 | 59% | 0.586 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66 | -42.6 | -179.2 | -171.3 | 136.7 | 0 | 0 | 0 | 112 | V82 V83 V84 A90 | V82-L86 WeakPolarHBondContact O-CB 3.49Å; V82-L86 PolarHBondContact O-N 3.16Å; V82-L86 VanDerWaalsContact O-N 3.15Å; V83-L86 PolarHBondContact O-N 3.04Å; V84-L86 PolarHBondContact O-N 3.33Å; L86-A90 WeakPolarHBondContact O-CB 3.31Å; L86-A90 PolarHBondContact O-N 3.33Å |
| 87 | L | 95.6 | Very high | 90.5 | Very high | 98 Ų | 98 | 87.2 Ų | 87.2 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 172.1 | -69.6 | 177.1 | 0 | 0 | 0 | 111.5 | V83 V89 A90 L91 | V83-L87 HydrophobicContact CG1-CD1 3.68Å; V83-L87 HydrophobicContact CG1-CG 4.09Å; V83-L87 WeakPolarHBondContact O-CB 3.48Å; V83-L87 VanDerWaalsContact O-CG 3.29Å; V83-L87 WeakPolarHBondContact O-CG 3.34Å; V83-L87 PolarHBondContact O-N 3.49Å; L87-V89 PolarHBondContact O-N 3.06Å; L87-A90 PolarHBondContact O-N 3.43Å; L87-L91 WeakPolarHBondContact O-CB 3.46Å; L87-L91 VanDerWaalsContact O-CG 3.27Å; L87-L91 WeakPolarHBondContact O-CG 3.29Å; L87-L91 PolarHBondContact O-N 2.93Å |
| 88 | G | 96.4 | Very high | 92.2 | Very high | 32 Ų | 32 | 89.9 Ų | 89.9 | 33% | 0.33 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.8 | -48.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V84 P85 L91 L92 | V84-G88 PolarHBondContact O-N 3.46Å; P85-G88 PolarHBondContact O-N 2.87Å; G88-L91 PolarHBondContact O-N 3.13Å; G88-L92 WeakPolarHBondContact O-CG 2.9Å; G88-L92 PolarHBondContact O-N 3.44Å |
| 89 | V | 97.5 | Very high | 93.6 | Very high | 85 Ų | 85 | 88.9 Ų | 88.9 | 52% | 0.515 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 177.1 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | P85 L87 L91 L92 I93 | P85-V89 VanDerWaalsContact O-CG2 3.28Å; P85-V89 WeakPolarHBondContact O-CG2 3.48Å; P85-V89 PolarHBondContact O-N 2.89Å; L87-V89 PolarHBondContact O-N 3.06Å; V89-L91 VanDerWaalsContact C-N 3.32Å; V89-L91 PolarHBondContact O-N 3.34Å; V89-L92 PolarHBondContact O-N 3.48Å; V89-I93 HydrophobicContact CG1-CD1 3.88Å; V89-I93 HydrophobicContact CG1-CG1 4.48Å; V89-I93 VanDerWaalsContact O-CG1 3.32Å; V89-I93 WeakPolarHBondContact O-CG1 3.47Å; V89-I93 PolarHBondContact O-N 3.36Å |
| 90 | A | 97.4 | Very high | 94.5 | Very high | 45 Ų | 45 | 91.4 Ų | 91.4 | 37% | 0.372 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.9 | -43.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L86 L87 I93 V94 | L86-A90 WeakPolarHBondContact O-CB 3.31Å; L86-A90 PolarHBondContact O-N 3.33Å; L87-A90 PolarHBondContact O-N 3.43Å; A90-I93 PolarHBondContact O-N 2.73Å; A90-V94 WeakPolarHBondContact O-CG2 3.37Å; A90-V94 PolarHBondContact O-N 3.07Å |
| 91 | L | 97.5 | Very high | 95.1 | Very high | 112 Ų | 112 | 94.5 Ų | 94.5 | 59% | 0.586 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.6 | -41.9 | 176.4 | -71 | 175 | 0 | 0 | 0 | 112.2 | L87 G88 V89 I93 V94 I95 | L87-L91 WeakPolarHBondContact O-CB 3.46Å; L87-L91 VanDerWaalsContact O-CG 3.27Å; L87-L91 WeakPolarHBondContact O-CG 3.29Å; L87-L91 PolarHBondContact O-N 2.93Å; G88-L91 PolarHBondContact O-N 3.13Å; V89-L91 VanDerWaalsContact C-N 3.32Å; V89-L91 PolarHBondContact O-N 3.34Å; L91-I93 VanDerWaalsContact C-N 3.33Å; L91-I93 PolarHBondContact O-N 2.64Å; L91-V94 PolarHBondContact O-N 3.39Å; L91-I95 VanDerWaalsContact O-CG1 3.25Å; L91-I95 WeakPolarHBondContact O-CG1 3.46Å; L91-I95 PolarHBondContact O-N 3Å |
| 92 | L | 97.7 | Very high | 95.6 | Very high | 120 Ų | 120 | 92.9 Ų | 92.9 | 63% | 0.628 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.5 | -40 | 176.1 | -70.1 | -174.6 | 0 | 0 | 0 | 112.3 | G88 V89 I95 A96 | G88-L92 WeakPolarHBondContact O-CG 2.9Å; G88-L92 PolarHBondContact O-N 3.44Å; V89-L92 PolarHBondContact O-N 3.48Å; L92-I95 PolarHBondContact O-N 3.27Å; L92-A96 WeakPolarHBondContact O-CB 3.43Å; L92-A96 PolarHBondContact O-N 3.49Å |
| 93 | I | 97.9 | Very high | 95.7 | Very high | 95 Ų | 95 | 90.8 Ų | 90.8 | 49% | 0.487 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 175.5 | -67.1 | 165.9 | 0 | 0 | 0 | 110.1 | V89 A90 L91 I95 A96 L97 | V89-I93 HydrophobicContact CG1-CD1 3.88Å; V89-I93 HydrophobicContact CG1-CG1 4.48Å; V89-I93 VanDerWaalsContact O-CG1 3.32Å; V89-I93 WeakPolarHBondContact O-CG1 3.47Å; V89-I93 PolarHBondContact O-N 3.36Å; A90-I93 PolarHBondContact O-N 2.73Å; L91-I93 VanDerWaalsContact C-N 3.33Å; L91-I93 PolarHBondContact O-N 2.64Å; I93-I95 PolarHBondContact O-N 3.29Å; I93-A96 PolarHBondContact O-N 3.26Å; I93-L97 HydrophobicContact CG2-CD1 4.06Å; I93-L97 HydrophobicContact CG2-CG 4.35Å; I93-L97 WeakPolarHBondContact O-CB 3Å; I93-L97 VanDerWaalsContact O-CG 3.3Å; I93-L97 WeakPolarHBondContact O-CG 3.32Å; I93-L97 PolarHBondContact O-N 3.25Å |
| 94 | V | 98.1 | Very high | 95.6 | Very high | 93 Ų | 93 | 92.5 Ų | 92.5 | 56% | 0.564 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.9 | -44.5 | 178 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | A90 L91 L97 F98 | A90-V94 WeakPolarHBondContact O-CG2 3.37Å; A90-V94 PolarHBondContact O-N 3.07Å; L91-V94 PolarHBondContact O-N 3.39Å; V94-L97 PolarHBondContact O-N 3.04Å; V94-F98 WeakPolarHBondContact O-CB 3.3Å; V94-F98 PolarHBondContact O-N 2.9Å |
| 95 | I | 97.7 | Very high | 95.2 | Very high | 92 Ų | 92 | 91.8 Ų | 91.8 | 47% | 0.472 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62 | -45.9 | 176.7 | -68.1 | 164.3 | 0 | 0 | 0 | 110.6 | L91 L92 I93 F98 I99 | L91-I95 VanDerWaalsContact O-CG1 3.25Å; L91-I95 WeakPolarHBondContact O-CG1 3.46Å; L91-I95 PolarHBondContact O-N 3Å; L92-I95 PolarHBondContact O-N 3.27Å; I93-I95 PolarHBondContact O-N 3.29Å; I95-F98 PolarHBondContact O-N 3.24Å; I95-I99 HydrophobicContact CG2-CD1 3.78Å; I95-I99 HydrophobicContact CG2-CG1 4.4Å; I95-I99 VanDerWaalsContact O-CG1 3.3Å; I95-I99 WeakPolarHBondContact O-CG1 3.49Å; I95-I99 PolarHBondContact O-N 3.24Å |
| 96 | A | 97.5 | Very high | 94.2 | Very high | 46 Ų | 46 | 94 Ų | 94 | 38% | 0.38 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L92 I93 F98 I99 I100 | L92-A96 WeakPolarHBondContact O-CB 3.43Å; L92-A96 PolarHBondContact O-N 3.49Å; I93-A96 PolarHBondContact O-N 3.26Å; A96-F98 VanDerWaalsContact C-N 3.31Å; A96-F98 PolarHBondContact O-N 2.96Å; A96-I99 PolarHBondContact O-N 3.44Å; A96-I100 WeakPolarHBondContact O-CB 3.38Å; A96-I100 WeakPolarHBondContact O-CD1 3.47Å; A96-I100 WeakPolarHBondContact O-CG1 2.96Å; A96-I100 PolarHBondContact O-N 3.02Å |
| 97 | L | 96.8 | Very high | 93.2 | Very high | 105 Ų | 105 | 94.2 Ų | 94.2 | 55% | 0.55 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.8 | -39.1 | 175.5 | -70 | 178.2 | 0 | 0 | 0 | 111.8 | I93 V94 I100 W101 | I93-L97 HydrophobicContact CG2-CD1 4.06Å; I93-L97 HydrophobicContact CG2-CG 4.35Å; I93-L97 WeakPolarHBondContact O-CB 3Å; I93-L97 VanDerWaalsContact O-CG 3.3Å; I93-L97 WeakPolarHBondContact O-CG 3.32Å; I93-L97 PolarHBondContact O-N 3.25Å; V94-L97 PolarHBondContact O-N 3.04Å; L97-I100 PolarHBondContact O-N 3.25Å; L97-W101 WeakPolarHBondContact O-CB 3.41Å; L97-W101 PolarHBondContact O-N 3.43Å |
| 98 | F | 97.1 | Very high | 92 | Very high | 98 Ų | 98 | 92.4 Ų | 92.4 | 43% | 0.43 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.3 | -43.4 | 175.9 | -176.6 | -100.1 | 0 | 0 | 0 | 112 | V94 I95 A96 W101 R102 | V94-F98 WeakPolarHBondContact O-CB 3.3Å; V94-F98 PolarHBondContact O-N 2.9Å; I95-F98 PolarHBondContact O-N 3.24Å; A96-F98 VanDerWaalsContact C-N 3.31Å; A96-F98 PolarHBondContact O-N 2.96Å; F98-W101 HydrophobicContact CD2-CE3 4.08Å; F98-W101 HydrophobicContact CD2-CZ3 4.38Å; F98-W101 HydrophobicContact CE2-CE3 4.45Å; F98-W101 HydrophobicContact CE2-CZ3 4.45Å; F98-W101 PolarHBondContact O-N 2.97Å; F98-R102 HydrophobicContact CD1-CG 4.05Å; F98-R102 HydrophobicContact CE1-CG 3.8Å; F98-R102 HydrophobicContact CE2-CG 4.33Å; F98-R102 HydrophobicContact CG-CG 4.45Å; F98-R102 HydrophobicContact CZ-CG 3.97Å; F98-R102 VanDerWaalsContact O-CB 3.3Å; F98-R102 WeakPolarHBondContact O-CB 3.43Å; F98-R102 WeakPolarHBondContact O-CG 3.35Å; F98-R102 PolarHBondContact O-N 2.68Å |
| 99 | I | 95.9 | Very high | 90.6 | Very high | 94 Ų | 94 | 96 Ų | 96 | 48% | 0.482 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.1 | -47.1 | 175 | -67.3 | 167.4 | 0 | 0 | 0 | 109.9 | I95 A96 W101 R102 C103 | I95-I99 HydrophobicContact CG2-CD1 3.78Å; I95-I99 HydrophobicContact CG2-CG1 4.4Å; I95-I99 VanDerWaalsContact O-CG1 3.3Å; I95-I99 WeakPolarHBondContact O-CG1 3.49Å; I95-I99 PolarHBondContact O-N 3.24Å; A96-I99 PolarHBondContact O-N 3.44Å; I99-W101 PolarHBondContact O-N 2.96Å; I99-R102 PolarHBondContact O-N 3.5Å; I99-C103 WeakPolarHBondContact O-CB 3.33Å; I99-C103 PolarHBondContact O-N 3.44Å; I99-C103 PolarHBondContact O-SG 3.27Å |
| 100 | I | 95.4 | Very high | 88.9 | Confident | 98 Ų | 98 | 102.3 Ų | 102.3 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.9 | -47.3 | 176.7 | -68 | 163.7 | 0 | 0 | 0 | 110.2 | A96 L97 R102 C103 Q104 | A96-I100 WeakPolarHBondContact O-CB 3.38Å; A96-I100 WeakPolarHBondContact O-CD1 3.47Å; A96-I100 WeakPolarHBondContact O-CG1 2.96Å; A96-I100 PolarHBondContact O-N 3.02Å; L97-I100 PolarHBondContact O-N 3.25Å; I100-R102 VanDerWaalsContact C-N 3.34Å; I100-R102 PolarHBondContact O-N 3.1Å; I100-C103 CarbonylContact O-C 3.56Å; I100-C103 WeakPolarHBondContact O-CB 3.49Å; I100-C103 PolarHBondContact O-N 2.96Å; I100-Q104 HydrophobicContact CG2-CG 4.13Å; I100-Q104 WeakPolarHBondContact O-CB 3.12Å; I100-Q104 WeakPolarHBondContact O-CG 3.32Å; I100-Q104 PolarHBondContact O-N 2.79Å |
| 101 | W | 95.3 | Very high | 86.8 | Confident | 161 Ų | 161 | 106.4 Ų | 106.4 | 61% | 0.61 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.6 | -42.7 | 178.6 | 178.8 | 34.5 | 0 | 0 | 0 | 111.6 | L97 F98 I99 Q104 L105 | L97-W101 WeakPolarHBondContact O-CB 3.41Å; L97-W101 PolarHBondContact O-N 3.43Å; F98-W101 HydrophobicContact CD2-CE3 4.08Å; F98-W101 HydrophobicContact CD2-CZ3 4.38Å; F98-W101 HydrophobicContact CE2-CE3 4.45Å; F98-W101 HydrophobicContact CE2-CZ3 4.45Å; F98-W101 PolarHBondContact O-N 2.97Å; I99-W101 PolarHBondContact O-N 2.96Å; W101-Q104 PolarHBondContact O-N 3.24Å; W101-L105 WeakPolarHBondContact O-CB 3.2Å; W101-L105 PolarHBondContact O-N 3.31Å |
| 102 | R | 93.6 | Very high | 84.4 | Confident | 130 Ų | 130 | 109.4 Ų | 109.4 | 49% | 0.491 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 174.3 | -73.3 | -72 | -174.1 | 163.9 | 0.3 | 111.6 | F98 I99 I100 L105 Q106 | F98-R102 HydrophobicContact CD1-CG 4.05Å; F98-R102 HydrophobicContact CE1-CG 3.8Å; F98-R102 HydrophobicContact CE2-CG 4.33Å; F98-R102 HydrophobicContact CG-CG 4.45Å; F98-R102 HydrophobicContact CZ-CG 3.97Å; F98-R102 VanDerWaalsContact O-CB 3.3Å; F98-R102 WeakPolarHBondContact O-CB 3.43Å; F98-R102 WeakPolarHBondContact O-CG 3.35Å; F98-R102 PolarHBondContact O-N 2.68Å; I99-R102 PolarHBondContact O-N 3.5Å; I100-R102 VanDerWaalsContact C-N 3.34Å; I100-R102 PolarHBondContact O-N 3.1Å; R102-L105 PolarHBondContact O-N 3.15Å; R102-Q106 VanDerWaalsContact O-CB 3.28Å; R102-Q106 WeakPolarHBondContact O-CB 3.33Å; R102-Q106 WeakPolarHBondContact O-CG 3.48Å; R102-Q106 PolarHBondContact O-N 3.15Å |
| 103 | C | 89.6 | Confident | 82.3 | Confident | 52 Ų | 52 | 109.3 Ų | 109.3 | 35% | 0.351 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 174.3 | -71.3 | 0 | 0 | 0 | 0 | 111.6 | I99 I100 Q106 K107 | I99-C103 WeakPolarHBondContact O-CB 3.33Å; I99-C103 PolarHBondContact O-N 3.44Å; I99-C103 PolarHBondContact O-SG 3.27Å; I100-C103 CarbonylContact O-C 3.56Å; I100-C103 WeakPolarHBondContact O-CB 3.49Å; I100-C103 PolarHBondContact O-N 2.96Å; C103-Q106 PolarHBondContact O-N 3.43Å; C103-K107 WeakPolarHBondContact O-CB 3.01Å; C103-K107 WeakPolarHBondContact O-CG 3.42Å; C103-K107 PolarHBondContact O-N 3.07Å |
| 104 | Q | 87.9 | Confident | 79.9 | Confident | 107 Ų | 107 | 109.7 Ų | 109.7 | 50% | 0.5 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -71.3 | -35.7 | 178.1 | -67.5 | -70.6 | 62.7 | 0 | 0 | 111.7 | I100 W101 K107 A108 | I100-Q104 HydrophobicContact CG2-CG 4.13Å; I100-Q104 WeakPolarHBondContact O-CB 3.12Å; I100-Q104 WeakPolarHBondContact O-CG 3.32Å; I100-Q104 PolarHBondContact O-N 2.79Å; W101-Q104 PolarHBondContact O-N 3.24Å; Q104-K107 CarbonylContact O-C 3.49Å; Q104-K107 PolarHBondContact O-N 3.18Å; Q104-A108 VanDerWaalsContact O-CB 3.32Å; Q104-A108 WeakPolarHBondContact O-CB 3.37Å; Q104-A108 PolarHBondContact O-N 3.33Å |
| 105 | L | 83.3 | Confident | 77.9 | Confident | 78 Ų | 78 | 116 Ų | 116 | 41% | 0.408 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -70.4 | -39.3 | 174.7 | -175.2 | 63.3 | 0 | 0 | 0 | 111.1 | W101 R102 K107 A108 T109 | W101-L105 WeakPolarHBondContact O-CB 3.2Å; W101-L105 PolarHBondContact O-N 3.31Å; R102-L105 PolarHBondContact O-N 3.15Å; L105-K107 VanDerWaalsContact C-N 3.31Å; L105-A108 PolarHBondContact O-N 3.13Å; L105-T109 HydrophobicContact CD1-CG2 4.41Å; L105-T109 WeakPolarHBondContact O-CB 3.39Å; L105-T109 VanDerWaalsContact O-CG2 3.26Å; L105-T109 WeakPolarHBondContact O-CG2 3.46Å; L105-T109 PolarHBondContact O-N 3.4Å; L105-T109 PolarHBondContact O-OG1 3.37Å |
| 106 | Q | 75.1 | Confident | 75.9 | Confident | 120 Ų | 120 | 115.2 Ų | 115.2 | 56% | 0.561 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.5 | -37.9 | 170.9 | -76 | 177.6 | -17.4 | 0 | 0 | 111.5 | R102 C103 T109 R110 | R102-Q106 VanDerWaalsContact O-CB 3.28Å; R102-Q106 WeakPolarHBondContact O-CB 3.33Å; R102-Q106 WeakPolarHBondContact O-CG 3.48Å; R102-Q106 PolarHBondContact O-N 3.15Å; C103-Q106 PolarHBondContact O-N 3.43Å; Q106-T109 WeakPolarHBondContact CA-OG1 3.16Å; Q106-T109 PolarHBondContact O-OG1 3.24Å; Q106-R110 WeakPolarHBondContact O-CB 3.48Å; Q106-R110 VanDerWaalsContact O-CG 3.3Å; Q106-R110 WeakPolarHBondContact O-CG 3.33Å; Q106-R110 PolarHBondContact O-N 2.75Å |
| 107 | K | 73.3 | Confident | 73.7 | Confident | 118 Ų | 118 | 120 Ų | 120 | 51% | 0.513 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.8 | -44.9 | 172.7 | -76.7 | 170.9 | 179.8 | -176.7 | 0 | 111.1 | C103 Q104 L105 T109 R110 H111 | C103-K107 WeakPolarHBondContact O-CB 3.01Å; C103-K107 WeakPolarHBondContact O-CG 3.42Å; C103-K107 PolarHBondContact O-N 3.07Å; Q104-K107 CarbonylContact O-C 3.49Å; Q104-K107 PolarHBondContact O-N 3.18Å; L105-K107 VanDerWaalsContact C-N 3.31Å; K107-T109 PolarHBondContact O-N 3.39Å; K107-R110 CarbonylContact O-C 3.59Å; K107-R110 PolarHBondContact O-N 3.15Å; K107-R110 VanDerWaalsContact O-N 3.15Å; K107-H111 WeakPolarHBondContact O-CA 3.44Å; K107-H111 WeakPolarHBondContact O-CB 3.43Å; K107-H111 PolarHBondContact O-CD2 3.09Å; K107-H111 VanDerWaalsContact O-CD2 3.24Å; K107-H111 PolarHBondContact O-N 3.47Å |
| 108 | A | 70.8 | Confident | 71.5 | Confident | 60 Ų | 60 | 121.9 Ų | 121.9 | 50% | 0.496 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.6 | -36.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q104 L105 R110 | Q104-A108 VanDerWaalsContact O-CB 3.32Å; Q104-A108 WeakPolarHBondContact O-CB 3.37Å; Q104-A108 PolarHBondContact O-N 3.33Å; L105-A108 PolarHBondContact O-N 3.13Å; A108-R110 VanDerWaalsContact C-N 3.29Å; A108-R110 PolarHBondContact O-N 2.95Å |
| 109 | T | 66.4 | Low | 69.5 | Low | 108 Ų | 108 | 127.2 Ų | 127.2 | 66% | 0.663 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -73.4 | -20.1 | 173.3 | 52.7 | 0 | 0 | 0 | 0 | 112.7 | L105 Q106 K107 | L105-T109 HydrophobicContact CD1-CG2 4.41Å; L105-T109 WeakPolarHBondContact O-CB 3.39Å; L105-T109 VanDerWaalsContact O-CG2 3.26Å; L105-T109 WeakPolarHBondContact O-CG2 3.46Å; L105-T109 PolarHBondContact O-N 3.4Å; L105-T109 PolarHBondContact O-OG1 3.37Å; Q106-T109 WeakPolarHBondContact CA-OG1 3.16Å; Q106-T109 PolarHBondContact O-OG1 3.24Å; K107-T109 PolarHBondContact O-N 3.39Å |
| 110 | R | 62.8 | Low | 67.2 | Low | 216 Ų | 216 | 131.7 Ų | 131.7 | 82% | 0.815 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -97.9 | -15.3 | 171.4 | -68.3 | -165.3 | -165.5 | -134.1 | 10.4 | 115.2 | Q106 K107 A108 | Q106-R110 WeakPolarHBondContact O-CB 3.48Å; Q106-R110 VanDerWaalsContact O-CG 3.3Å; Q106-R110 WeakPolarHBondContact O-CG 3.33Å; Q106-R110 PolarHBondContact O-N 2.75Å; K107-R110 CarbonylContact O-C 3.59Å; K107-R110 PolarHBondContact O-N 3.15Å; K107-R110 VanDerWaalsContact O-N 3.15Å; A108-R110 VanDerWaalsContact C-N 3.29Å; A108-R110 PolarHBondContact O-N 2.95Å |
| 111 | H | 52.7 | Low | 65.3 | Low | 131 Ų | 131 | 132.8 Ų | 132.8 | 61% | 0.606 | 64% | 0.64 | S | S | * | * | trans | -104.6 | 36.9 | -175.2 | -84.3 | -79.7 | 0 | 0 | 0 | 114.6 | K107 | K107-H111 WeakPolarHBondContact O-CA 3.44Å; K107-H111 WeakPolarHBondContact O-CB 3.43Å; K107-H111 PolarHBondContact O-CD2 3.09Å; K107-H111 VanDerWaalsContact O-CD2 3.24Å; K107-H111 PolarHBondContact O-N 3.47Å | ||
| 112 | H | 48.1 | Very low | 63.3 | Low | 175 Ų | 175 | 129 Ų | 129 | 81% | 0.81 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -118.1 | 117.7 | 147.7 | -84.4 | -92.1 | 0 | 0 | 0 | 107.7 | ||
| 113 | P | 52.5 | Low | 61.3 | Low | 119 Ų | 119 | 127.5 Ų | 127.5 | 77% | 0.773 | 65% | 0.653 | S | S | * | * | S | Bend | cis | -125.2 | 139 | 2.2 | 36.7 | -19.5 | 0 | 0 | 0 | 114.1 | ||
| 114 | S | 48.6 | Very low | 59.4 | Low | 103 Ų | 103 | 135 Ų | 135 | 72% | 0.72 | 67% | 0.674 | S | S | * | * | trans | -157.1 | 51.2 | 158 | -73.1 | 0 | 0 | 0 | 0 | 111.7 | A116 | S114-A116 VanDerWaalsContact C-N 3.33Š| ||
| 115 | Y | 55.8 | Low | 57.5 | Low | 224 Ų | 224 | 134.7 Ų | 134.7 | 88% | 0.878 | 69% | 0.689 | S | S | * | * | trans | -95.5 | 24.8 | 167 | -162.5 | -100.5 | 0 | 0 | 0 | 112.4 | ||||
| 116 | A | 55.1 | Low | 55.8 | Low | 76 Ų | 76 | 133.7 Ų | 133.7 | 63% | 0.628 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -108 | -6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | S114 | S114-A116 VanDerWaalsContact C-N 3.33Š|
| 117 | Q | 51.5 | Low | 55 | Low | 148 Ų | 148 | 136 Ų | 136 | 69% | 0.692 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -100.1 | -25 | -170.6 | -162 | 167.5 | -22.4 | 0 | 0 | 114.7 | R119 | Q117-R119 VanDerWaalsContact C-N 3.3Å; Q117-R119 PolarHBondContact O-N 3.24Å |
| 118 | N | 51.6 | Low | 53.9 | Low | 144 Ų | 144 | 136.8 Ų | 136.8 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -1.9 | -176.9 | -87.6 | -5.8 | 0 | 0 | 0 | 115.3 | ||
| 119 | R | 54.9 | Low | 53.1 | Low | 210 Ų | 210 | 141 Ų | 141 | 79% | 0.792 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -14.5 | 173 | -92.9 | -169.6 | -174.6 | 168.2 | 2.7 | 114.7 | Q117 | Q117-R119 VanDerWaalsContact C-N 3.3Å; Q117-R119 PolarHBondContact O-N 3.24Å |
| 120 | Y | 46.8 | Very low | 52.1 | Low | 188 Ų | 188 | 141.9 Ų | 141.9 | 74% | 0.737 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | -19.9 | -175.7 | -68.3 | -79.7 | 0 | 0 | 0 | 114.3 | ||
| 121 | L | 56.7 | Low | 51.5 | Low | 121 Ų | 121 | 142.3 Ų | 142.3 | 63% | 0.634 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -83.4 | -22.2 | 177.5 | -72.5 | 171.7 | 0 | 0 | 0 | 113.3 | S123 R124 | L121-S123 VanDerWaalsContact C-N 3.29Å; L121-S123 PolarHBondContact O-N 3.01Å; L121-R124 PolarHBondContact O-N 3.46Å |
| 122 | A | 52.4 | Low | 51.4 | Low | 82 Ų | 82 | 142.3 Ų | 142.3 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -22 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 123 | S | 52 | Low | 51.7 | Low | 98 Ų | 98 | 143 Ų | 143 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -6.4 | 177.2 | -64 | 0 | 0 | 0 | 0 | 114.3 | L121 | L121-S123 VanDerWaalsContact C-N 3.29Å; L121-S123 PolarHBondContact O-N 3.01Å |
| 124 | R | 50 | Low | 51.5 | Low | 210 Ų | 210 | 142.8 Ų | 142.8 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -104.4 | -6.8 | -174.7 | -147.5 | 171.4 | -177.1 | 147.5 | -0.3 | 114.5 | L121 G126 | L121-R124 PolarHBondContact O-N 3.46Å; R124-G126 PolarHBondContact O-N 3.42Å |
| 125 | A | 47.1 | Very low | 50.8 | Low | 100 Ų | 100 | 148.5 Ų | 148.5 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 13.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 126 | G | 48.6 | Very low | 49.8 | Very low | 56 Ų | 56 | 148.6 Ų | 148.6 | 58% | 0.577 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | -7.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | R124 | R124-G126 PolarHBondContact O-N 3.42Š|
| 127 | H | 57.2 | Low | 48.9 | Very low | 168 Ų | 168 | 148.2 Ų | 148.2 | 78% | 0.778 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -139.6 | 77.6 | -172.3 | -58.7 | -58.1 | 0 | 0 | 0 | 112.5 | ||
| 128 | T | 51.3 | Low | 48 | Very low | 135 Ų | 135 | 148 Ų | 148 | 83% | 0.828 | 78% | 0.775 | S | S | * | * | trans | -171.4 | 82.4 | 153.4 | 27.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 129 | L | 52.7 | Low | 47.1 | Very low | 150 Ų | 150 | 149.2 Ų | 149.2 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -134.9 | 124 | 154.3 | -75.1 | 177.9 | 0 | 0 | 0 | 108.1 | R131 | L129-R131 PolarHBondContact O-N 2.82Š| ||
| 130 | P | 46.8 | Very low | 45.9 | Very low | 126 Ų | 126 | 148 Ų | 148 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -80.2 | 101.6 | 174.6 | 31.2 | -27.4 | 0 | 0 | 0 | 107.9 | ||||
| 131 | R | 49.4 | Very low | 45 | Very low | 225 Ų | 225 | 143.6 Ų | 143.6 | 85% | 0.849 | 78% | 0.778 | S | S | * | * | trans | -92.8 | 102.1 | 167.2 | -98.5 | -175.1 | 151.3 | 99.6 | -1.2 | 108.7 | L129 M133 | L129-R131 PolarHBondContact O-N 2.82Å; R131-M133 PolarHBondContact O-N 2.02Å | ||
| 132 | V | 50.2 | Low | 43.6 | Very low | 131 Ų | 131 | 147 Ų | 147 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | -55.1 | 116.8 | 160.7 | 174.9 | 0 | 0 | 0 | 0 | 107.6 | V134 | V132-V134 HydrophobicContact CG1-CG2 4Š| ||
| 133 | M | 54.3 | Low | 42.5 | Very low | 188 Ų | 188 | 146.8 Ų | 146.8 | 93% | 0.926 | 80% | 0.796 | S | S | * | * | trans | -126.1 | 102.9 | 163.7 | -146.5 | -172.6 | -130.2 | 0 | 0 | 107.5 | R131 | R131-M133 PolarHBondContact O-N 2.02Š| ||
| 134 | V | 49.1 | Very low | 41.4 | Very low | 116 Ų | 116 | 151.4 Ų | 151.4 | 70% | 0.703 | 81% | 0.807 | S | S | * | * | trans | -81 | 120.9 | 172.4 | 173.1 | 0 | 0 | 0 | 0 | 107.7 | V132 | V132-V134 HydrophobicContact CG1-CG2 4Š| ||
| 135 | Y | 32.9 | Very low | 41.2 | Very low | 222 Ų | 222 | 146.1 Ų | 146.1 | 87% | 0.871 | 80% | 0.8 | S | S | * | * | trans | -150 | 109.7 | 149.2 | -126.5 | -91.2 | 0 | 0 | 0 | 112.1 | ||||
| 136 | R | 35.3 | Very low | 40.2 | Very low | 227 Ų | 227 | 147.1 Ų | 147.1 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | trans | 15.5 | 114 | 144.7 | -154.5 | 174.2 | -166 | 146.9 | 1.1 | 120 | ||||
| 137 | G | 36.6 | Very low | 39.2 | Very low | 67 Ų | 67 | 147.2 Ų | 147.2 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | 77.7 | 118.1 | 123.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 138 | T | 32.4 | Very low | 37.7 | Very low | 145 Ų | 145 | 147.1 Ų | 147.1 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | 180 | 127 | 117.4 | -61.7 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 139 | M | 32.7 | Very low | 36.7 | Very low | 168 Ų | 168 | 151.4 Ų | 151.4 | 83% | 0.828 | 80% | 0.802 | S | S | * | * | trans | -79.6 | 141.1 | 172.6 | -61.9 | -140 | 92.1 | 0 | 0 | 110.5 | ||||
| 140 | H | 30 | Very low | 35.4 | Very low | 186 Ų | 186 | 152.4 Ų | 152.4 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | 174.2 | 141.1 | 128.1 | -101.6 | -55.1 | 0 | 0 | 0 | 114.1 | |||||
| 141 | S | 28 | Very low | 34.5 | Very low | 94 Ų | 94 | 150.8 Ų | 150.8 | 66% | 0.657 | 80% | 0.8 | S | S | * | * | trans | 66.1 | 117.6 | 146.6 | -109.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 142 | Q | 26.9 | Very low | 33.4 | Very low | 192 Ų | 192 | 146.7 Ų | 146.7 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | 91 | 125 | 76.6 | -170.8 | -171.1 | 67.5 | 0 | 0 | 111.8 | |||||
| 143 | G | 28.6 | Very low | 32.4 | Very low | 78 Ų | 78 | 145.9 Ų | 145.9 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | 148.3 | 109.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 144 | E | 29.3 | Very low | 31.6 | Very low | 195 Ų | 195 | 142.5 Ų | 142.5 | 91% | 0.911 | 80% | 0.795 | S | S | * | * | trans | -77.1 | -179.9 | -175.9 | -117.1 | -125.5 | 121.1 | 0 | 0 | 114.1 | ||||
| 145 | P | 46.7 | Very low | 30.9 | Very low | 99 Ų | 99 | 142.3 Ų | 142.3 | 64% | 0.643 | 80% | 0.796 | S | S | * | * | trans | -107.1 | 179.3 | -152 | 43.1 | -36.9 | 0 | 0 | 0 | 114.3 | ||||
| 146 | S | 25.9 | Very low | 30.6 | Very low | 121 Ų | 121 | 139.7 Ų | 139.7 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | -178.3 | 140.9 | 148.9 | -169.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 147 | G | 27.8 | Very low | 30.7 | Very low | 58 Ų | 58 | 134.4 Ų | 134.4 | 60% | 0.598 | 79% | 0.785 | S | S | * | * | cis | -178.1 | 172.3 | 6.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 148 | H | 26 | Very low | 30.5 | Very low | 167 Ų | 167 | 138.2 Ų | 138.2 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | 42.7 | 134.3 | 147.1 | -73.1 | -72.5 | 0 | 0 | 0 | 119.7 | ||||
| 149 | R | 29.2 | Very low | 30.8 | Very low | 224 Ų | 224 | 137.6 Ų | 137.6 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | cis | -168.7 | 153.8 | 39.3 | -138.3 | 173.1 | -179.8 | 140 | 0.2 | 111.5 | ||||
| 150 | E | 25.9 | Very low | 30.8 | Very low | 172 Ų | 172 | 132.9 Ų | 132.9 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -60.8 | 153.3 | 179.1 | -59.5 | 151 | 122.5 | 0 | 0 | 114.7 | ||||
| 151 | A | 27.2 | Very low | 31.2 | Very low | 92 Ų | 92 | 129.8 Ų | 129.8 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | 169.6 | 106.2 | 110.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 152 | V | 27.6 | Very low | 31.4 | Very low | 139 Ų | 139 | 130.8 Ų | 130.8 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | 26.6 | 119.3 | 127.1 | -173.5 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 153 | S | 28.2 | Very low | 31.6 | Very low | 114 Ų | 114 | 133.8 Ų | 133.8 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | -175.1 | 133 | 115.7 | 52.7 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 154 | S | 37.9 | Very low | 31.7 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -113.3 | 139.4 | 165.1 | -166.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 155 | P | 34.7 | Very low | 31.8 | Very low | 111 Ų | 111 | 128.5 Ų | 128.5 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | trans | -131.7 | 128 | 144 | 19.2 | 0.7 | 0 | 0 | 0 | 110.3 | ||||
| 156 | Q | 26.5 | Very low | 31.1 | Very low | 168 Ų | 168 | 135.4 Ų | 135.4 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | 62.4 | 100.4 | 78 | -76.1 | -87.2 | -0 | 0 | 0 | 114.6 | |||||
| 157 | V | 37.6 | Very low | 31.6 | Very low | 116 Ų | 116 | 135.2 Ų | 135.2 | 70% | 0.703 | 80% | 0.795 | S | S | * | * | trans | 23.9 | 125.7 | 136 | -171 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 158 | V | 31.1 | Very low | 32.1 | Very low | 146 Ų | 146 | 139.4 Ų | 139.4 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | trans | -146.8 | 132.2 | 143.4 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 159 | V | 38.5 | Very low | 32.4 | Very low | 133 Ų | 133 | 136.9 Ų | 136.9 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | trans | -98.9 | 147.2 | 174.3 | 169.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 160 | G | 33 | Very low | 32.7 | Very low | 68 Ų | 68 | 136.4 Ų | 136.4 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | trans | -172.4 | 156 | 168 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 161 | P | 39.4 | Very low | 32.9 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | -119 | 159.4 | -118 | 39.1 | -31.1 | 0 | 0 | 0 | 118.6 | |||||
| 162 | S | 31.5 | Very low | 33.4 | Very low | 115 Ų | 115 | 137.9 Ų | 137.9 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | 48.3 | 125.5 | 143.1 | -65.5 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 163 | R | 31.2 | Very low | 33.5 | Very low | 255 Ų | 255 | 135.5 Ų | 135.5 | 96% | 0.962 | 79% | 0.788 | S | S | * | * | 150.5 | 125.1 | 98.3 | -155.3 | 174.6 | -165.5 | -176.1 | 2.9 | 111.2 | |||||
| 164 | G | 30.3 | Very low | 33.8 | Very low | 78 Ų | 78 | 135 Ų | 135 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | 159.6 | 72.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 165 | G | 32.7 | Very low | 33.5 | Very low | 83 Ų | 83 | 137.3 Ų | 137.3 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | trans | -72.4 | 145.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 166 | R | 30.5 | Very low | 33.3 | Very low | 245 Ų | 245 | 142.2 Ų | 142.2 | 93% | 0.925 | 79% | 0.788 | S | S | * | * | trans | -152.3 | 114.6 | 148.3 | -149.6 | 166.1 | 167.2 | 171.2 | -5.5 | 110.6 | ||||
| 167 | T | 36.1 | Very low | 33.5 | Very low | 116 Ų | 116 | 142 Ų | 142 | 71% | 0.712 | 79% | 0.792 | S | S | * | * | trans | -59.7 | 143 | 171.4 | 40.9 | 0 | 0 | 0 | 0 | 111.8 | V169 | T167-V169 PolarHBondContact O-N 2.89Š| ||
| 168 | T | 38.6 | Very low | 33.4 | Very low | 146 Ų | 146 | 141.1 Ų | 141.1 | 90% | 0.896 | 79% | 0.789 | S | S | * | * | trans | -61.1 | 114.7 | 166.8 | 49.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 169 | V | 32.6 | Very low | 33.5 | Very low | 114 Ų | 114 | 142.1 Ų | 142.1 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | trans | -125.6 | 113.1 | 169.6 | 177.4 | 0 | 0 | 0 | 0 | 108.3 | T167 L171 | T167-V169 PolarHBondContact O-N 2.89Å; V169-L171 PolarHBondContact O-N 3.02Å | ||
| 170 | R | 35.4 | Very low | 33.4 | Very low | 215 Ų | 215 | 143 Ų | 143 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | trans | -42.4 | 121.1 | 157 | 173.9 | -178.7 | 175.9 | 98.3 | -0.5 | 109.7 | ||||
| 171 | L | 30.4 | Very low | 33.5 | Very low | 145 Ų | 145 | 144 Ų | 144 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | -112.1 | 92.2 | 173.7 | -157.7 | 84.3 | 0 | 0 | 0 | 109.4 | V169 | V169-L171 PolarHBondContact O-N 3.02Š| ||
| 172 | E | 37.3 | Very low | 33.3 | Very low | 149 Ų | 149 | 145.5 Ų | 145.5 | 70% | 0.696 | 78% | 0.78 | S | S | * | * | trans | -62.3 | 131.6 | 139.6 | -101.6 | -179.1 | 124.8 | 0 | 0 | 107.2 | ||||
| 173 | S | 29.5 | Very low | 33.6 | Very low | 90 Ų | 90 | 145.4 Ų | 145.4 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | trans | -146 | 84.6 | 163.1 | -127.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 174 | T | 34 | Very low | 34.5 | Very low | 103 Ų | 103 | 144.4 Ų | 144.4 | 63% | 0.632 | 78% | 0.775 | S | S | * | * | trans | -58.9 | 120.2 | 150.6 | -3.9 | 0 | 0 | 0 | 0 | 108.5 | Y176 | T174-Y176 HydrophobicContact CG2-CE2 4.37Š| ||
| 175 | L | 33.3 | Very low | 35 | Very low | 166 Ų | 166 | 148.8 Ų | 148.8 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | trans | -111.7 | 110.7 | 157.5 | -79 | 178.7 | 0 | 0 | 0 | 108.1 | ||||
| 176 | Y | 29.3 | Very low | 35.5 | Very low | 213 Ų | 213 | 150.6 Ų | 150.6 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | -69.8 | 141.1 | 166.8 | -89.1 | -99.1 | 0 | 0 | 0 | 110.4 | T174 | T174-Y176 HydrophobicContact CG2-CE2 4.37Š| ||
| 177 | L | 31 | Very low | 36.5 | Very low | 163 Ų | 163 | 144.3 Ų | 144.3 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | trans | -135.8 | 139.6 | 147 | -156.7 | 145.2 | 0 | 0 | 0 | 108.1 | ||||
| 178 | P | 36.7 | Very low | 36.9 | Very low | 99 Ų | 99 | 144.5 Ų | 144.5 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | trans | -75.7 | 129.7 | -154.6 | -17.8 | 32.7 | 0 | 0 | 0 | 115.4 | L180 | P178-L180 PolarHBondContact O-N 3.26Š| ||
| 179 | E | 33.1 | Very low | 38 | Very low | 167 Ų | 167 | 144 Ų | 144 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | trans | -71.1 | 97.6 | 162 | -86.3 | -77.8 | 155.3 | 0 | 0 | 109.5 | ||||
| 180 | L | 36.4 | Very low | 39.5 | Very low | 152 Ų | 152 | 143.9 Ų | 143.9 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | trans | -106.1 | 104 | 164.5 | -107 | 151 | 0 | 0 | 0 | 108.3 | P178 | P178-L180 PolarHBondContact O-N 3.26Š| ||
| 181 | S | 34.8 | Very low | 40.7 | Very low | 87 Ų | 87 | 139.2 Ų | 139.2 | 61% | 0.608 | 77% | 0.77 | S | S | * | * | trans | 79 | 70.1 | 146.2 | -50.6 | 0 | 0 | 0 | 0 | 118.6 | S183 | S181-S183 PolarHBondContact O-N 2.99Š| ||
| 182 | L | 35.2 | Very low | 42.3 | Very low | 155 Ų | 155 | 136.2 Ų | 136.2 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | trans | -82.9 | 17.3 | 155.6 | -106.2 | 165.5 | 0 | 0 | 0 | 113.6 | R184 | L182-R184 VanDerWaalsContact C-N 3.34Å; L182-R184 PolarHBondContact O-N 3.16Å | ||
| 183 | S | 36.9 | Very low | 43.5 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | 14.5 | -172.7 | -35.3 | 0 | 0 | 0 | 0 | 115.3 | S181 | S181-S183 PolarHBondContact O-N 2.99Š|
| 184 | R | 49.7 | Very low | 44.7 | Very low | 235 Ų | 235 | 137.3 Ų | 137.3 | 89% | 0.887 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.9 | 26.1 | -169.1 | -134.8 | -166.7 | -172.9 | -140.5 | 2 | 118.6 | L182 | L182-R184 VanDerWaalsContact C-N 3.34Å; L182-R184 PolarHBondContact O-N 3.16Å |
| 185 | L | 41.2 | Very low | 46.2 | Very low | 170 Ų | 170 | 140 Ų | 140 | 89% | 0.89 | 76% | 0.761 | S | S | * | * | trans | -142.2 | 60.2 | 163.3 | -77.2 | 168.4 | 0 | 0 | 0 | 110.5 | ||||
| 186 | S | 43.7 | Very low | 47.5 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 84% | 0.839 | 75% | 0.752 | S | S | * | * | trans | -133 | 68.4 | 162.3 | -164.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 187 | S | 51.9 | Low | 48.8 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | trans | -130.4 | 64.1 | 165.7 | 66.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 188 | T | 44.1 | Very low | 49.8 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 74% | 0.736 | 73% | 0.726 | S | S | * | * | trans | -146.3 | 96.8 | 168.5 | 11.9 | 0 | 0 | 0 | 0 | 106.1 | P190 | T188-P190 WeakPolarHBondContact O-CD 3.38Š| ||
| 189 | T | 60.5 | Low | 50.2 | Low | 136 Ų | 136 | 128.9 Ų | 128.9 | 83% | 0.834 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 121.9 | 159.5 | 39.1 | 0 | 0 | 0 | 0 | 107.5 | ||
| 190 | P | 64.1 | Low | 50.6 | Low | 111 Ų | 111 | 126.7 Ų | 126.7 | 72% | 0.721 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 146.3 | 171.4 | 26.5 | -32.1 | 0 | 0 | 0 | 109.2 | T188 | T188-P190 WeakPolarHBondContact O-CD 3.38Š|
| 191 | P | 60.6 | Low | 50.7 | Low | 118 Ų | 118 | 128 Ų | 128 | 77% | 0.766 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 144.9 | 171.6 | 26.2 | -32.9 | 0 | 0 | 0 | 109.7 | ||
| 192 | P | 65.1 | Low | 51.3 | Low | 82 Ų | 82 | 133.3 Ų | 133.3 | 53% | 0.532 | 74% | 0.741 | S | S | . | * | P | Polyproline II helix | trans | -60.7 | 145.2 | -176.1 | 24.8 | -33.4 | 0 | 0 | 0 | 111.1 | E196 V197 | P192-E196 HydrophobicContact CB-CB 4.28Å; P192-V197 HydrophobicContact CG-CG2 4.49Å |
| 193 | S | 62.1 | Low | 51.3 | Low | 74 Ų | 74 | 130.6 Ų | 130.6 | 52% | 0.517 | 74% | 0.735 | S | S | . | * | P | Polyproline II helix | trans | -70.1 | 152.2 | 173.7 | 70.6 | 0 | 0 | 0 | 0 | 110 | E195 E196 | S193-E195 PolarHBondContact O-N 3.27Å; S193-E196 PolarHBondContact O-N 3.04Å |
| 194 | Y | 54.9 | Low | 51.6 | Low | 188 Ų | 188 | 131.2 Ų | 131.2 | 74% | 0.737 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -53.3 | -27.2 | -174.8 | -175.8 | -99 | 0 | 0 | 0 | 114.1 | E196 V197 T198 | Y194-E196 VanDerWaalsContact C-N 3.32Å; Y194-E196 PolarHBondContact O-N 3.33Å; Y194-V197 PolarHBondContact O-N 3.09Å; Y194-T198 HydrophobicContact CE1-CG2 4.1Å; Y194-T198 PolarHBondContact O-N 3.48Å; Y194-T198 PolarHBondContact O-OG1 3.06Å |
| 195 | E | 65.3 | Low | 50.9 | Low | 160 Ų | 160 | 124.6 Ų | 124.6 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -70.2 | -24.5 | 179.3 | -63.4 | -172.5 | 146.3 | 0 | 0 | 113.3 | S193 | S193-E195 PolarHBondContact O-N 3.27Å |
| 196 | E | 61.3 | Low | 50.9 | Low | 147 Ų | 147 | 125.2 Ų | 125.2 | 69% | 0.687 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -78.5 | -25.4 | 177 | -166.8 | 173.4 | 145.3 | 0 | 0 | 112.3 | P192 S193 Y194 | P192-E196 HydrophobicContact CB-CB 4.28Å; S193-E196 PolarHBondContact O-N 3.04Å; Y194-E196 VanDerWaalsContact C-N 3.32Å; Y194-E196 PolarHBondContact O-N 3.33Å |
| 197 | V | 55.3 | Low | 51 | Low | 110 Ų | 110 | 128 Ų | 128 | 67% | 0.667 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -88.5 | -19.9 | -178.9 | 178.8 | 0 | 0 | 0 | 0 | 112.5 | P192 Y194 | P192-V197 HydrophobicContact CG-CG2 4.49Å; Y194-V197 PolarHBondContact O-N 3.09Å |
| 198 | T | 53.3 | Low | 50.3 | Low | 78 Ų | 78 | 127.3 Ų | 127.3 | 48% | 0.479 | 73% | 0.728 | S | S | . | * | S | Bend | trans | -107 | 4.2 | -177 | 39.7 | 0 | 0 | 0 | 0 | 114.6 | Y194 P200 | Y194-T198 HydrophobicContact CE1-CG2 4.1Å; Y194-T198 PolarHBondContact O-N 3.48Å; Y194-T198 PolarHBondContact O-OG1 3.06Å; T198-P200 WeakPolarHBondContact O-CD 3.2Å |
| 199 | A | 44.4 | Very low | 50.3 | Low | 71 Ų | 71 | 126.9 Ų | 126.9 | 59% | 0.587 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 121.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q201 | A199-Q201 PolarHBondContact O-N 3.38Š|
| 200 | P | 41.5 | Very low | 49.5 | Very low | 121 Ų | 121 | 128.3 Ų | 128.3 | 79% | 0.786 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 122.6 | 171.8 | -15.2 | 29.3 | 0 | 0 | 0 | 109.1 | T198 E202 | T198-P200 WeakPolarHBondContact O-CD 3.2Å; P200-E202 PolarHBondContact O-N 3.05Å |
| 201 | Q | 39.6 | Very low | 48.4 | Very low | 180 Ų | 180 | 128 Ų | 128 | 84% | 0.841 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 116.5 | 168.7 | -167.7 | 162.2 | 10.5 | 0 | 0 | 107.9 | A199 S203 | A199-Q201 PolarHBondContact O-N 3.38Å; Q201-S203 VanDerWaalsContact C-N 3.32Å; Q201-S203 PolarHBondContact O-N 3Å |
| 202 | E | 47 | Very low | 48 | Very low | 199 Ų | 199 | 132.7 Ų | 132.7 | 93% | 0.93 | 73% | 0.734 | S | S | * | * | trans | -61.4 | 96.8 | 169.3 | -72.1 | -157.6 | 138.4 | 0 | 0 | 108.7 | P200 | P200-E202 PolarHBondContact O-N 3.05Š| ||
| 203 | S | 34.7 | Very low | 47.3 | Very low | 98 Ų | 98 | 133.5 Ų | 133.5 | 69% | 0.685 | 74% | 0.741 | S | S | * | * | trans | -129.1 | 102.3 | 160.9 | 71.2 | 0 | 0 | 0 | 0 | 108.9 | Q201 S205 | Q201-S203 VanDerWaalsContact C-N 3.32Å; Q201-S203 PolarHBondContact O-N 3Å; S203-S205 PolarHBondContact O-N 3.19Å | ||
| 204 | S | 44.1 | Very low | 47.2 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 87% | 0.867 | 75% | 0.753 | S | S | * | * | trans | -37.6 | 117.1 | 160.5 | 151.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 205 | S | 34.5 | Very low | 48 | Very low | 96 Ų | 96 | 132.5 Ų | 132.5 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | trans | -175.6 | 103 | 138.7 | 47.9 | 0 | 0 | 0 | 0 | 110.9 | S203 | S203-S205 PolarHBondContact O-N 3.19Š| ||
| 206 | E | 41.7 | Very low | 47.7 | Very low | 184 Ų | 184 | 130.4 Ų | 130.4 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | trans | 40.6 | 106.4 | 138.3 | -65 | 167.4 | 123.9 | 0 | 0 | 120 | ||||
| 207 | E | 44.5 | Very low | 48 | Very low | 179 Ų | 179 | 127.5 Ų | 127.5 | 84% | 0.836 | 74% | 0.742 | S | S | * | * | 46.9 | 101.9 | 128.5 | -56.7 | -79.3 | 117.3 | 0 | 0 | 119.3 | |||||
| 208 | A | 37.5 | Very low | 48.8 | Very low | 97 Ų | 97 | 129 Ų | 129 | 80% | 0.802 | 74% | 0.74 | S | S | * | * | trans | -147.8 | 88.7 | 135.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | M210 | A208-M210 PolarHBondContact O-N 2.94Š| ||
| 209 | S | 45.3 | Very low | 49 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | trans | -64.1 | 94.3 | 172.6 | 58.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 210 | M | 43.6 | Very low | 50.3 | Low | 167 Ų | 167 | 135 Ų | 135 | 82% | 0.823 | 74% | 0.744 | S | S | * | * | trans | -93.7 | 101.5 | 157.4 | -82.1 | -161.6 | 156.3 | 0 | 0 | 108.3 | A208 Y212 | A208-M210 PolarHBondContact O-N 2.94Å; M210-Y212 VanDerWaalsContact C-N 3.34Å; M210-Y212 PolarHBondContact O-N 3.47Å | ||
| 211 | S | 39.7 | Very low | 51.5 | Low | 105 Ų | 105 | 135.5 Ų | 135.5 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | trans | -64.4 | 92.7 | 171.4 | -169.7 | 0 | 0 | 0 | 0 | 109.1 | S213 | S211-S213 VanDerWaalsContact C-N 3.25Å; S211-S213 PolarHBondContact O-N 3.16Å; S211-S213 PolarHBondContact OG-OG 3.08Å; S211-S213 VanDerWaalsContact OG-OG 3.11Å | ||
| 212 | Y | 52.7 | Low | 52.8 | Low | 215 Ų | 215 | 131.8 Ų | 131.8 | 84% | 0.843 | 72% | 0.721 | S | S | * | * | trans | -71 | 86.6 | 165.7 | -101.3 | -89.7 | 0 | 0 | 0 | 108.2 | M210 | M210-Y212 VanDerWaalsContact C-N 3.34Å; M210-Y212 PolarHBondContact O-N 3.47Å | ||
| 213 | S | 50.3 | Low | 53.7 | Low | 99 Ų | 99 | 127.9 Ų | 127.9 | 69% | 0.692 | 71% | 0.711 | S | S | * | * | trans | -113.1 | 23.3 | 171.3 | -57.6 | 0 | 0 | 0 | 0 | 112.2 | S211 | S211-S213 VanDerWaalsContact C-N 3.25Å; S211-S213 PolarHBondContact O-N 3.16Å; S211-S213 PolarHBondContact OG-OG 3.08Å; S211-S213 VanDerWaalsContact OG-OG 3.11Å | ||
| 214 | D | 60.7 | Low | 55.1 | Low | 143 Ų | 143 | 126.8 Ų | 126.8 | 77% | 0.765 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 120.4 | 172.7 | -125.7 | -9.8 | 0 | 0 | 0 | 109.7 | ||
| 215 | P | 71.9 | Confident | 56.1 | Low | 98 Ų | 98 | 124.4 Ų | 124.4 | 64% | 0.636 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 145.3 | 173 | 27.3 | -32.9 | 0 | 0 | 0 | 109.6 | ||
| 216 | P | 59 | Low | 57.3 | Low | 116 Ų | 116 | 126.2 Ų | 126.2 | 75% | 0.753 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 136.8 | 178.4 | 23 | -32.3 | 0 | 0 | 0 | 110.1 | K218 | P216-K218 PolarHBondContact O-N 3.01Š|
| 217 | P | 65.9 | Low | 58 | Low | 86 Ų | 86 | 123.5 Ų | 123.5 | 56% | 0.558 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 138.9 | -174.1 | 21.8 | -32 | 0 | 0 | 0 | 110.7 | I222 | P217-I222 HydrophobicContact CG-CD1 4.47Š|
| 218 | K | 72.6 | Confident | 58.6 | Low | 143 Ų | 143 | 118.3 Ų | 118.3 | 62% | 0.622 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 140.9 | 178 | -77 | -175.2 | 175.8 | 179.1 | 0 | 109.6 | P216 E220 E221 | P216-K218 PolarHBondContact O-N 3.01Å; K218-E220 PolarHBondContact O-N 3.08Å; K218-E221 WeakPolarHBondContact O-CB 3.47Å; K218-E221 PolarHBondContact O-N 3.25Å |
| 219 | Y | 58.2 | Low | 59.4 | Low | 167 Ų | 167 | 118.1 Ų | 118.1 | 66% | 0.655 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -49.1 | -32.5 | 178.2 | 66 | -82.8 | 0 | 0 | 0 | 113.4 | E221 I222 V223 | Y219-E221 VanDerWaalsContact C-N 3.3Å; Y219-E221 PolarHBondContact O-N 3Å; Y219-I222 PolarHBondContact O-N 3.05Å; Y219-V223 VanDerWaalsContact O-CG2 3.31Å; Y219-V223 WeakPolarHBondContact O-CG2 3.43Å; Y219-V223 PolarHBondContact O-N 3.02Å |
| 220 | E | 70.4 | Confident | 59.7 | Low | 106 Ų | 106 | 120.9 Ų | 120.9 | 50% | 0.495 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -61.1 | -35.4 | 178.6 | -54.4 | 169.2 | -153.7 | 0 | 0 | 112.6 | K218 A224 | K218-E220 PolarHBondContact O-N 3.08Å; E220-A224 PolarHBondContact O-N 2.69Å |
| 221 | E | 67.4 | Low | 59.7 | Low | 133 Ų | 133 | 126.3 Ų | 126.3 | 62% | 0.621 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -81 | -33.6 | -176.4 | -159.4 | 169.7 | -155.2 | 0 | 0 | 111.8 | K218 Y219 V223 A224 A225 | K218-E221 WeakPolarHBondContact O-CB 3.47Å; K218-E221 PolarHBondContact O-N 3.25Å; Y219-E221 VanDerWaalsContact C-N 3.3Å; Y219-E221 PolarHBondContact O-N 3Å; E221-V223 VanDerWaalsContact C-N 3.3Å; E221-V223 PolarHBondContact O-N 3.45Å; E221-A224 PolarHBondContact O-N 3.18Å; E221-A225 WeakPolarHBondContact O-CB 3.49Å; E221-A225 PolarHBondContact O-N 3.47Å |
| 222 | I | 66.3 | Low | 60.7 | Low | 102 Ų | 102 | 127.4 Ų | 127.4 | 52% | 0.523 | 71% | 0.713 | S | S | . | * | H | α-helix | trans | -67.1 | -35.3 | 175.3 | -53.8 | 171.6 | 0 | 0 | 0 | 110.5 | P217 Y219 | P217-I222 HydrophobicContact CG-CD1 4.47Å; Y219-I222 PolarHBondContact O-N 3.05Å |
| 223 | V | 65.8 | Low | 61.1 | Low | 117 Ų | 117 | 122.7 Ų | 122.7 | 71% | 0.709 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -74.8 | -34.2 | 177.1 | 177.3 | 0 | 0 | 0 | 0 | 111.4 | Y219 E221 | Y219-V223 VanDerWaalsContact O-CG2 3.31Å; Y219-V223 WeakPolarHBondContact O-CG2 3.43Å; Y219-V223 PolarHBondContact O-N 3.02Å; E221-V223 VanDerWaalsContact C-N 3.3Å; E221-V223 PolarHBondContact O-N 3.45Å |
| 224 | A | 65.4 | Low | 61.7 | Low | 75 Ų | 75 | 124.1 Ų | 124.1 | 62% | 0.62 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -75.4 | -24.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E220 E221 N226 | E220-A224 PolarHBondContact O-N 2.69Å; E221-A224 PolarHBondContact O-N 3.18Å; A224-N226 PolarHBondContact O-N 2.89Å |
| 225 | A | 64.2 | Low | 61.8 | Low | 73 Ų | 73 | 122.9 Ų | 122.9 | 60% | 0.603 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -4.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | E221 P227 | E221-A225 WeakPolarHBondContact O-CB 3.49Å; E221-A225 PolarHBondContact O-N 3.47Å; A225-P227 WeakPolarHBondContact O-CD 3.46Å |
| 226 | N | 60.4 | Low | 61.1 | Low | 135 Ų | 135 | 124.5 Ų | 124.5 | 72% | 0.722 | 71% | 0.707 | S | S | * | * | trans | -111.8 | 72.3 | 175.4 | -97.7 | -27.5 | 0 | 0 | 0 | 112.5 | A224 G228 | A224-N226 PolarHBondContact O-N 2.89Å; N226-G228 VanDerWaalsContact C-N 3.3Å; N226-G228 PolarHBondContact O-N 3.3Å; N226-G228 VanDerWaalsContact O-N 3.15Å | ||
| 227 | P | 56.3 | Low | 61.3 | Low | 126 Ų | 126 | 125.1 Ų | 125.1 | 82% | 0.818 | 70% | 0.704 | S | S | * | * | trans | -85.2 | 75.5 | 166.7 | 35.6 | -30.5 | 0 | 0 | 0 | 108.8 | A225 | A225-P227 WeakPolarHBondContact O-CD 3.46Š| ||
| 228 | G | 57.6 | Low | 60.9 | Low | 71 Ų | 71 | 127.9 Ų | 127.9 | 73% | 0.732 | 72% | 0.715 | S | S | * | * | trans | 167.1 | 57.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | N226 | N226-G228 VanDerWaalsContact C-N 3.3Å; N226-G228 PolarHBondContact O-N 3.3Å; N226-G228 VanDerWaalsContact O-N 3.15Å | ||
| 229 | A | 52.9 | Low | 60 | Low | 92 Ų | 92 | 126.7 Ų | 126.7 | 76% | 0.76 | 72% | 0.722 | S | S | * | * | trans | -144.8 | 39 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 230 | D | 53.3 | Low | 60.2 | Low | 169 Ų | 169 | 123.3 Ų | 123.3 | 90% | 0.904 | 73% | 0.728 | S | S | * | * | trans | -126.5 | 88 | 162.3 | -82.8 | -37.9 | 0 | 0 | 0 | 108.3 | ||||
| 231 | K | 42.2 | Very low | 59.2 | Low | 281 Ų | 281 | 124.9 Ų | 124.9 | 100% | 1.222 | 75% | 0.749 | S | S | * | * | trans | -159.4 | 0 | 150.8 | -133.5 | 178.1 | -175.4 | 177.9 | 0 | 111.8 |
Retrieved 231 of 231 residues in 33.4 ms
(Link to these results)