| 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 | 42.8 | Very low | 46.9 | Very low | 243 Ų | 243 | 141.5 Ų | 141.5 | 100% | 1.197 | 74% | 0.735 | S | S | * | * | 0 | 113.3 | 0 | -67.2 | -172.4 | -160.2 | 0 | 0 | 107.9 | D3 | M1-D3 PolarHBondContact O-N 2.98Š| |||
| 2 | T | 54.2 | Low | 47.3 | Very low | 151 Ų | 151 | 145.8 Ų | 145.8 | 93% | 0.926 | 74% | 0.744 | S | S | * | * | trans | -84.8 | 88.2 | 177.6 | 44 | 0 | 0 | 0 | 0 | 109 | ||||
| 3 | D | 45.5 | Very low | 47.8 | Very low | 97 Ų | 97 | 137.8 Ų | 137.8 | 52% | 0.519 | 72% | 0.721 | S | S | . | * | trans | -156.7 | 64.6 | 168.9 | -166.7 | -131.7 | 0 | 0 | 0 | 110.9 | M1 K5 | M1-D3 PolarHBondContact O-N 2.98Å; D3-K5 IonicContact OD1-NZ 3.7Å; D3-K5 WeakPolarHBondContact OD2-CB 3.49Å | ||
| 4 | S | 51.1 | Low | 48.3 | Very low | 134 Ų | 134 | 134.9 Ų | 134.9 | 94% | 0.937 | 70% | 0.701 | S | S | * | * | trans | -99.7 | 47.7 | 147.4 | -68.2 | 0 | 0 | 0 | 0 | 108.7 | Y6 | S4-Y6 PolarHBondContact O-N 3.41Š| ||
| 5 | K | 49.5 | Very low | 49.3 | Very low | 143 Ų | 143 | 129.1 Ų | 129.1 | 62% | 0.622 | 67% | 0.671 | S | S | * | * | 29.4 | 84.2 | 125 | -150.7 | 171.4 | -157.5 | 154.4 | 0 | 113.8 | D3 F7 | D3-K5 IonicContact OD1-NZ 3.7Å; D3-K5 WeakPolarHBondContact OD2-CB 3.49Å; K5-F7 PolarHBondContact O-N 3.1Å | |||
| 6 | Y | 42.6 | Very low | 50 | Low | 167 Ų | 167 | 130.6 Ų | 130.6 | 66% | 0.655 | 67% | 0.671 | S | S | * | * | 42.2 | 44.2 | 112.1 | -77.3 | -82.5 | 0 | 0 | 0 | 116.4 | S4 T9 | S4-Y6 PolarHBondContact O-N 3.41Å; Y6-T9 HydrophobicContact CD1-CG2 3.63Å; Y6-T9 HydrophobicContact CE1-CG2 4.17Å; Y6-T9 PolarHBondContact O-OG1 3.11Å | |||
| 7 | F | 35.6 | Very low | 50.9 | Low | 192 Ų | 192 | 131.4 Ų | 131.4 | 84% | 0.842 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -84 | 15.2 | 148.2 | -134.2 | -90.3 | 0 | 0 | 0 | 110.8 | K5 | K5-F7 PolarHBondContact O-N 3.1Š|
| 8 | T | 48.4 | Very low | 51.7 | Low | 113 Ų | 113 | 125.8 Ų | 125.8 | 69% | 0.693 | 64% | 0.643 | S | S | * | * | trans | -100.1 | 8.3 | 175.9 | 46.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 9 | T | 47.2 | Very low | 52.6 | Low | 103 Ų | 103 | 125.9 Ų | 125.9 | 63% | 0.632 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -96.8 | -0.1 | -175.9 | 21.4 | 0 | 0 | 0 | 0 | 116.7 | Y6 | Y6-T9 HydrophobicContact CD1-CG2 3.63Å; Y6-T9 HydrophobicContact CE1-CG2 4.17Å; Y6-T9 PolarHBondContact O-OG1 3.11Å |
| 10 | N | 46.5 | Very low | 53.5 | Low | 140 Ų | 140 | 122.6 Ų | 122.6 | 75% | 0.749 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -95 | -10.1 | 180 | -151.7 | -99.4 | 0 | 0 | 0 | 114.9 | ||
| 11 | K | 51.8 | Low | 54.2 | Low | 73 Ų | 73 | 119.5 Ų | 119.5 | 32% | 0.317 | 61% | 0.614 | S | S | . | * | trans | -120.9 | 6.9 | -155.4 | -63.7 | 161.2 | 165.8 | -174.7 | 0 | 116.1 | G13 I15 K45 | K11-G13 VanDerWaalsContact C-N 3.3Å; K11-I15 WeakPolarHBondContact O-CG1 3.41Å; K11-I15 PolarHBondContact O-N 3.4Å; K11-K45 HydrophobicContact CD-CD 3.81Å; K11-K45 HydrophobicContact CD-CG 4.07Å; K11-K45 VanDerWaalsContact CE-CE 3.44Å; K11-K45 HydrophobicContact CG-CD 4.45Å; K11-K45 VanDerWaalsContact CG-CE 3.41Å | ||
| 12 | K | 52.5 | Low | 55.3 | Low | 193 Ų | 193 | 110 Ų | 110 | 84% | 0.839 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.8 | -32.5 | 177.2 | -133.7 | -176.3 | -174.7 | -167.3 | 0 | 111.6 | F16 | K12-F16 WeakPolarHBondContact O-CB 3.3Å; K12-F16 PolarHBondContact O-N 3.39Å |
| 13 | G | 54.1 | Low | 56 | Low | 43 Ų | 43 | 108.4 Ų | 108.4 | 44% | 0.443 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -70.4 | -51 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | K11 I15 F16 E17 | K11-G13 VanDerWaalsContact C-N 3.3Å; G13-I15 PolarHBondContact O-N 3.31Å; G13-F16 CarbonylContact O-C 3.6Å; G13-F16 WeakPolarHBondContact O-CB 3.49Å; G13-F16 PolarHBondContact O-N 2.92Å; G13-F16 VanDerWaalsContact O-N 3.08Å; G13-E17 PolarHBondContact O-N 3.12Å |
| 14 | E | 54.4 | Low | 57.3 | Low | 96 Ų | 96 | 106.4 Ų | 106.4 | 45% | 0.449 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62 | -41.5 | -179.3 | -74.5 | -168.5 | 93.3 | 0 | 0 | 113.1 | F16 E17 L18 K45 | E14-F16 VanDerWaalsContact C-N 3.28Å; E14-F16 PolarHBondContact O-N 3.37Å; E14-E17 PolarHBondContact O-N 3.21Å; E14-L18 WeakPolarHBondContact O-CB 3.49Å; E14-L18 WeakPolarHBondContact O-CD1 3.46Å; E14-L18 WeakPolarHBondContact O-CG 3.19Å; E14-L18 PolarHBondContact O-N 2.72Å; E14-K45 IonicContact OE1-NZ 3.93Å; E14-K45 IonicContact OE2-NZ 3.76Å; E14-K45 PolarHBondContact OE2-NZ 3.29Å |
| 15 | I | 62.6 | Low | 58.4 | Low | 48 Ų | 48 | 108.7 Ų | 108.7 | 25% | 0.246 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -66.9 | -34.6 | 176.6 | -66 | 178.7 | 0 | 0 | 0 | 110.6 | K11 G13 K19 | K11-I15 WeakPolarHBondContact O-CG1 3.41Å; K11-I15 PolarHBondContact O-N 3.4Å; G13-I15 PolarHBondContact O-N 3.31Å; I15-K19 WeakPolarHBondContact O-CB 3.47Å; I15-K19 PolarHBondContact O-N 3.31Å |
| 16 | F | 61.2 | Low | 59.7 | Low | 154 Ų | 154 | 108.3 Ų | 108.3 | 68% | 0.675 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -70.9 | -41.7 | 177.9 | -169.9 | -96.2 | 0 | 0 | 0 | 112.2 | K12 G13 E14 K19 A20 | K12-F16 WeakPolarHBondContact O-CB 3.3Å; K12-F16 PolarHBondContact O-N 3.39Å; G13-F16 CarbonylContact O-C 3.6Å; G13-F16 WeakPolarHBondContact O-CB 3.49Å; G13-F16 PolarHBondContact O-N 2.92Å; G13-F16 VanDerWaalsContact O-N 3.08Å; E14-F16 VanDerWaalsContact C-N 3.28Å; E14-F16 PolarHBondContact O-N 3.37Å; F16-K19 PolarHBondContact O-N 3.16Å; F16-A20 PolarHBondContact O-N 2.88Å; F16-A20 VanDerWaalsContact O-N 3.1Å |
| 17 | E | 64.4 | Low | 61.3 | Low | 143 Ų | 143 | 107.8 Ų | 107.8 | 67% | 0.668 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.3 | -44.1 | 171.9 | -94.6 | 178.9 | 72 | 0 | 0 | 112 | G13 E14 K19 A20 E21 | G13-E17 PolarHBondContact O-N 3.12Å; E14-E17 PolarHBondContact O-N 3.21Å; E17-K19 VanDerWaalsContact C-N 3.26Å; E17-K19 PolarHBondContact O-N 3.24Å; E17-A20 WeakPolarHBondContact O-CB 3.49Å; E17-A20 PolarHBondContact O-N 3.26Å; E17-A20 VanDerWaalsContact O-N 3.11Å; E17-E21 PolarHBondContact O-N 3.08Å |
| 18 | L | 65.6 | Low | 63.4 | Low | 31 Ų | 31 | 105.5 Ų | 105.5 | 16% | 0.162 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -59.8 | -37.5 | 175.7 | -74.9 | 166.6 | 0 | 0 | 0 | 111.7 | E14 E21 L22 K36 | E14-L18 WeakPolarHBondContact O-CB 3.49Å; E14-L18 WeakPolarHBondContact O-CD1 3.46Å; E14-L18 WeakPolarHBondContact O-CG 3.19Å; E14-L18 PolarHBondContact O-N 2.72Å; L18-E21 PolarHBondContact O-N 3.46Å; L18-L22 WeakPolarHBondContact O-CB 3.31Å; L18-L22 VanDerWaalsContact O-CG 3.31Å; L18-L22 WeakPolarHBondContact O-CG 3.16Å; L18-L22 PolarHBondContact O-N 3.32Å; L18-K36 HydrophobicContact CD2-CB 3.64Å; L18-K36 HydrophobicContact CD2-CD 3.76Å; L18-K36 HydrophobicContact CD2-CG 4.36Å |
| 19 | K | 68.4 | Low | 64.7 | Low | 128 Ų | 128 | 103.9 Ų | 103.9 | 56% | 0.557 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.4 | -38.7 | 175.4 | -168.7 | 179 | -177.1 | -175.1 | 0 | 112.3 | I15 F16 E17 N23 | I15-K19 WeakPolarHBondContact O-CB 3.47Å; I15-K19 PolarHBondContact O-N 3.31Å; F16-K19 PolarHBondContact O-N 3.16Å; E17-K19 VanDerWaalsContact C-N 3.26Å; E17-K19 PolarHBondContact O-N 3.24Å; K19-N23 PolarHBondContact O-N 3.37Å; K19-N23 VanDerWaalsContact O-N 3.12Å; K19-N23 PolarHBondContact O-ND2 3.32Å |
| 20 | A | 70.9 | Confident | 66 | Low | 60 Ų | 60 | 103.3 Ų | 103.3 | 50% | 0.496 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.1 | -38 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F16 E17 N23 N24 | F16-A20 PolarHBondContact O-N 2.88Å; F16-A20 VanDerWaalsContact O-N 3.1Å; E17-A20 WeakPolarHBondContact O-CB 3.49Å; E17-A20 PolarHBondContact O-N 3.26Å; E17-A20 VanDerWaalsContact O-N 3.11Å; A20-N23 PolarHBondContact O-N 2.83Å; A20-N24 PolarHBondContact O-N 3.39Å |
| 21 | E | 67.8 | Low | 67.5 | Low | 58 Ų | 58 | 101.9 Ų | 101.9 | 27% | 0.271 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -71.4 | -32.8 | 177 | -164.5 | 144 | 64.7 | 0 | 0 | 112.4 | E17 L18 N24 A33 K36 | E17-E21 PolarHBondContact O-N 3.08Å; L18-E21 PolarHBondContact O-N 3.46Å; E21-N24 VanDerWaalsContact O-CB 3.3Å; E21-N24 WeakPolarHBondContact O-CB 3.49Å; E21-N24 PolarHBondContact O-N 2.91Å; E21-A33 HydrophobicContact CB-CB 4.22Å; E21-A33 HydrophobicContact CG-CB 4.05Å; E21-K36 IonicContact OE1-NZ 2.91Å; E21-K36 PolarHBondContact OE1-NZ 3.45Å |
| 22 | L | 66.8 | Low | 68.7 | Low | 43 Ų | 43 | 104 Ų | 104 | 23% | 0.225 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -67.8 | -32.8 | 170 | -77.1 | 168.5 | 0 | 0 | 0 | 113.2 | L18 N24 R30 A33 V34 V37 | L18-L22 WeakPolarHBondContact O-CB 3.31Å; L18-L22 VanDerWaalsContact O-CG 3.31Å; L18-L22 WeakPolarHBondContact O-CG 3.16Å; L18-L22 PolarHBondContact O-N 3.32Å; L22-N24 PolarHBondContact O-N 3.48Å; L22-R30 WeakPolarHBondContact O-CD 3.39Å; L22-R30 WeakPolarHBondContact O-CG 3.44Å; L22-R30 PolarHBondContact O-NE 3.05Å; L22-A33 HydrophobicContact CD2-CB 3.67Å; L22-A33 HydrophobicContact CG-CB 3.78Å; L22-V34 HydrophobicContact CD2-CG2 3.72Å; L22-V37 HydrophobicContact CD1-CG2 4.23Å |
| 23 | N | 69 | Low | 69.8 | Low | 118 Ų | 118 | 94.8 Ų | 94.8 | 63% | 0.631 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | 0.5 | 177.3 | -84 | -82.3 | 0 | 0 | 0 | 113.7 | K19 A20 | K19-N23 PolarHBondContact O-N 3.37Å; K19-N23 VanDerWaalsContact O-N 3.12Å; K19-N23 PolarHBondContact O-ND2 3.32Å; A20-N23 PolarHBondContact O-N 2.83Å |
| 24 | N | 72.6 | Confident | 70.9 | Confident | 55 Ų | 55 | 93.2 Ų | 93.2 | 29% | 0.294 | 44% | 0.44 | S | S | . | . | trans | -63.9 | 145.1 | -179.5 | -140.3 | -78.2 | 0 | 0 | 0 | 111.6 | A20 E21 L22 K26 K29 R30 | A20-N24 PolarHBondContact O-N 3.39Å; E21-N24 VanDerWaalsContact O-CB 3.3Å; E21-N24 WeakPolarHBondContact O-CB 3.49Å; E21-N24 PolarHBondContact O-N 2.91Å; L22-N24 PolarHBondContact O-N 3.48Å; N24-K26 PolarHBondContact O-N 2.88Å; N24-K29 HydrophobicContact CB-CB 4.3Å; N24-R30 VanDerWaalsContact O-CZ 3.23Å; N24-R30 PolarHBondContact O-NE 3.12Å; N24-R30 PolarHBondContact O-NH2 3.46Å | ||
| 25 | E | 74.1 | Confident | 72 | Confident | 182 Ų | 182 | 95.6 Ų | 95.6 | 85% | 0.85 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -69.7 | -24.7 | -179.2 | -167 | 177.7 | 83.4 | 0 | 0 | 112.4 | K27 | E25-K27 PolarHBondContact O-N 3.38Š|
| 26 | K | 78.1 | Confident | 72.6 | Confident | 134 Ų | 134 | 98.1 Ų | 98.1 | 58% | 0.583 | 46% | 0.458 | S | S | * | . | trans | -77.4 | 116.6 | -179.1 | -64.8 | -178.2 | 179 | -177 | 0 | 111.6 | N24 E28 K29 R30 | N24-K26 PolarHBondContact O-N 2.88Å; K26-E28 VanDerWaalsContact C-N 3.26Å; K26-E28 PolarHBondContact O-N 2.89Å; K26-K29 HydrophobicContact CB-CB 4.37Å; K26-K29 HydrophobicContact CB-CD 4.45Å; K26-K29 HydrophobicContact CB-CG 4.17Å; K26-K29 HydrophobicContact CD-CD 4.42Å; K26-K29 PolarHBondContact O-N 3.17Å; K26-K29 VanDerWaalsContact O-N 3.16Å; K26-R30 PolarHBondContact O-N 3.24Å | ||
| 27 | K | 76.3 | Confident | 73.3 | Confident | 157 Ų | 157 | 90.9 Ų | 90.9 | 68% | 0.683 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -56.1 | -34.9 | 177.3 | -69.2 | -177 | 177.3 | 177.5 | 0 | 114 | E25 R30 K31 | E25-K27 PolarHBondContact O-N 3.38Å; K27-R30 PolarHBondContact O-N 3.38Å; K27-K31 PolarHBondContact O-N 2.96Å |
| 28 | E | 77.9 | Confident | 73.9 | Confident | 144 Ų | 144 | 85.9 Ų | 85.9 | 67% | 0.673 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -60.8 | -47.8 | 176.6 | -74.5 | -86.7 | 88.8 | 0 | 0 | 111.9 | K26 R30 K31 E32 | K26-E28 VanDerWaalsContact C-N 3.26Å; K26-E28 PolarHBondContact O-N 2.89Å; E28-R30 VanDerWaalsContact C-N 3.31Å; E28-R30 PolarHBondContact O-N 3.43Å; E28-K31 WeakPolarHBondContact O-CB 3.21Å; E28-K31 PolarHBondContact O-N 2.93Å; E28-K31 VanDerWaalsContact O-N 3.17Å; E28-E32 PolarHBondContact O-N 3.25Å |
| 29 | K | 76.6 | Confident | 74.3 | Confident | 79 Ų | 79 | 87 Ų | 87 | 34% | 0.343 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.5 | -34.4 | -179.8 | -67.5 | -166.7 | 170.6 | -164.7 | 0 | 112.5 | N24 K26 E32 A33 | N24-K29 HydrophobicContact CB-CB 4.3Å; K26-K29 HydrophobicContact CB-CB 4.37Å; K26-K29 HydrophobicContact CB-CD 4.45Å; K26-K29 HydrophobicContact CB-CG 4.17Å; K26-K29 HydrophobicContact CD-CD 4.42Å; K26-K29 PolarHBondContact O-N 3.17Å; K26-K29 VanDerWaalsContact O-N 3.16Å; K29-E32 PolarHBondContact O-N 3.42Å; K29-A33 WeakPolarHBondContact O-CB 3.33Å; K29-A33 PolarHBondContact O-N 2.91Å |
| 30 | R | 75.1 | Confident | 74.4 | Confident | 91 Ų | 91 | 81.7 Ų | 81.7 | 34% | 0.343 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 173.5 | -67.6 | -170 | -176 | 176 | 1.5 | 111.8 | L22 N24 K26 K27 E28 E32 A33 V34 | L22-R30 WeakPolarHBondContact O-CD 3.39Å; L22-R30 WeakPolarHBondContact O-CG 3.44Å; L22-R30 PolarHBondContact O-NE 3.05Å; N24-R30 VanDerWaalsContact O-CZ 3.23Å; N24-R30 PolarHBondContact O-NE 3.12Å; N24-R30 PolarHBondContact O-NH2 3.46Å; K26-R30 PolarHBondContact O-N 3.24Å; K27-R30 PolarHBondContact O-N 3.38Å; E28-R30 VanDerWaalsContact C-N 3.31Å; E28-R30 PolarHBondContact O-N 3.43Å; R30-E32 VanDerWaalsContact C-N 3.32Å; R30-E32 PolarHBondContact O-N 3Å; R30-A33 PolarHBondContact O-N 3.37Å; R30-V34 WeakPolarHBondContact O-CB 3.45Å; R30-V34 WeakPolarHBondContact O-CG2 3.43Å; R30-V34 PolarHBondContact O-N 3.24Å |
| 31 | K | 77 | Confident | 74.4 | Confident | 110 Ų | 110 | 82.7 Ų | 82.7 | 48% | 0.478 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.5 | -39.8 | 177.7 | -71.4 | 179.5 | 178.9 | -179.6 | 0 | 112.2 | K27 E28 K35 Y58 | K27-K31 PolarHBondContact O-N 2.96Å; E28-K31 WeakPolarHBondContact O-CB 3.21Å; E28-K31 PolarHBondContact O-N 2.93Å; E28-K31 VanDerWaalsContact O-N 3.17Å; K31-K35 WeakPolarHBondContact O-CG 3.16Å; K31-K35 PolarHBondContact O-N 2.91Å; K31-K35 VanDerWaalsContact O-N 3.16Å; K31-Y58 HydrophobicContact CG-CE1 3.88Å |
| 32 | E | 78.1 | Confident | 74.3 | Confident | 116 Ų | 116 | 84.1 Ų | 84.1 | 54% | 0.542 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 174.7 | -74.3 | -163.6 | 88.2 | 0 | 0 | 112.4 | E28 K29 R30 V34 K35 K36 | E28-E32 PolarHBondContact O-N 3.25Å; K29-E32 PolarHBondContact O-N 3.42Å; R30-E32 VanDerWaalsContact C-N 3.32Å; R30-E32 PolarHBondContact O-N 3Å; E32-V34 VanDerWaalsContact C-N 3.34Å; E32-V34 PolarHBondContact O-N 2.91Å; E32-K35 PolarHBondContact O-N 3.17Å; E32-K36 WeakPolarHBondContact O-CG 3.48Å; E32-K36 PolarHBondContact O-N 3.06Å; E32-K36 VanDerWaalsContact O-N 3.11Å |
| 33 | A | 75.6 | Confident | 74.4 | Confident | 0 Ų | 0 | 87.6 Ų | 87.6 | 0% | 0 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -60.8 | -43.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E21 L22 K29 R30 K35 K36 V37 | E21-A33 HydrophobicContact CB-CB 4.22Å; E21-A33 HydrophobicContact CG-CB 4.05Å; L22-A33 HydrophobicContact CD2-CB 3.67Å; L22-A33 HydrophobicContact CG-CB 3.78Å; K29-A33 WeakPolarHBondContact O-CB 3.33Å; K29-A33 PolarHBondContact O-N 2.91Å; R30-A33 PolarHBondContact O-N 3.37Å; A33-K35 PolarHBondContact O-N 3.32Å; A33-K36 WeakPolarHBondContact O-CB 3.41Å; A33-K36 PolarHBondContact O-N 2.74Å; A33-V37 WeakPolarHBondContact O-CG2 3.32Å; A33-V37 PolarHBondContact O-N 3.09Å |
| 34 | V | 75.8 | Confident | 74.1 | Confident | 10 Ų | 10 | 85.2 Ų | 85.2 | 6% | 0.061 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -57.5 | -47.1 | 174.9 | 164.8 | 0 | 0 | 0 | 0 | 110.4 | L22 R30 E32 K36 V37 I38 F55 L59 | L22-V34 HydrophobicContact CD2-CG2 3.72Å; R30-V34 WeakPolarHBondContact O-CB 3.45Å; R30-V34 WeakPolarHBondContact O-CG2 3.43Å; R30-V34 PolarHBondContact O-N 3.24Å; E32-V34 VanDerWaalsContact C-N 3.34Å; E32-V34 PolarHBondContact O-N 2.91Å; V34-K36 VanDerWaalsContact C-N 3.35Å; V34-K36 PolarHBondContact O-N 3.47Å; V34-V37 WeakPolarHBondContact O-CB 3.48Å; V34-V37 PolarHBondContact O-N 3.21Å; V34-V37 VanDerWaalsContact O-N 3.09Å; V34-I38 WeakPolarHBondContact O-CG1 3.34Å; V34-I38 PolarHBondContact O-N 3.31Å; V34-F55 HydrophobicContact CB-CE2 4.24Å; V34-F55 HydrophobicContact CB-CZ 4.02Å; V34-F55 HydrophobicContact CG1-CE1 3.63Å; V34-F55 HydrophobicContact CG1-CE2 3.73Å; V34-F55 HydrophobicContact CG1-CZ 3.17Å; V34-F55 HydrophobicContact CG2-CE2 4.19Å; V34-F55 HydrophobicContact CG2-CZ 4.44Å; V34-F55 WeakPolarHBondContact O-CZ 3.4Å; V34-L59 HydrophobicContact CG1-CD1 3.67Å |
| 35 | K | 77.8 | Confident | 73.7 | Confident | 146 Ų | 146 | 84.4 Ų | 84.4 | 64% | 0.635 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -59.2 | -42.5 | 176.1 | -71.5 | 175.3 | -177.8 | 178.7 | 0 | 112.7 | K31 E32 A33 V37 I38 A39 | K31-K35 WeakPolarHBondContact O-CG 3.16Å; K31-K35 PolarHBondContact O-N 2.91Å; K31-K35 VanDerWaalsContact O-N 3.16Å; E32-K35 PolarHBondContact O-N 3.17Å; A33-K35 PolarHBondContact O-N 3.32Å; K35-V37 VanDerWaalsContact C-N 3.29Å; K35-V37 PolarHBondContact O-N 3.38Å; K35-I38 PolarHBondContact O-N 3.45Å; K35-A39 PolarHBondContact O-N 3.25Å; K35-A39 VanDerWaalsContact O-N 3.08Å |
| 36 | K | 76.2 | Confident | 73.1 | Confident | 101 Ų | 101 | 80 Ų | 80 | 44% | 0.439 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.6 | -36.9 | 175.5 | -65.3 | 174.8 | -172.1 | 174.1 | 0 | 111.5 | L18 E21 E32 A33 V34 A39 A40 | L18-K36 HydrophobicContact CD2-CB 3.64Å; L18-K36 HydrophobicContact CD2-CD 3.76Å; L18-K36 HydrophobicContact CD2-CG 4.36Å; E21-K36 IonicContact OE1-NZ 2.91Å; E21-K36 PolarHBondContact OE1-NZ 3.45Å; E32-K36 WeakPolarHBondContact O-CG 3.48Å; E32-K36 PolarHBondContact O-N 3.06Å; E32-K36 VanDerWaalsContact O-N 3.11Å; A33-K36 WeakPolarHBondContact O-CB 3.41Å; A33-K36 PolarHBondContact O-N 2.74Å; V34-K36 VanDerWaalsContact C-N 3.35Å; V34-K36 PolarHBondContact O-N 3.47Å; K36-A39 PolarHBondContact O-N 2.95Å; K36-A40 WeakPolarHBondContact O-CB 3.43Å; K36-A40 PolarHBondContact O-N 2.98Å |
| 37 | V | 75.3 | Confident | 72.3 | Confident | 3 Ų | 3 | 75 Ų | 75 | 2% | 0.018 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -66.4 | -42.8 | 175.2 | 168.7 | 0 | 0 | 0 | 0 | 111.8 | L22 A33 V34 K35 A39 A40 M41 V47 T50 F55 | L22-V37 HydrophobicContact CD1-CG2 4.23Å; A33-V37 WeakPolarHBondContact O-CG2 3.32Å; A33-V37 PolarHBondContact O-N 3.09Å; V34-V37 WeakPolarHBondContact O-CB 3.48Å; V34-V37 PolarHBondContact O-N 3.21Å; V34-V37 VanDerWaalsContact O-N 3.09Å; K35-V37 VanDerWaalsContact C-N 3.29Å; K35-V37 PolarHBondContact O-N 3.38Å; V37-A39 VanDerWaalsContact C-N 3.35Å; V37-A39 PolarHBondContact O-N 3.11Å; V37-A40 WeakPolarHBondContact O-CB 3.43Å; V37-A40 PolarHBondContact O-N 2.98Å; V37-A40 VanDerWaalsContact O-N 3.15Å; V37-M41 HydrophobicContact CG1-CG 4.28Å; V37-M41 HydrophobicContact CG1-SD 3.99Å; V37-M41 VanDerWaalsContact O-CG 3.29Å; V37-M41 WeakPolarHBondContact O-CG 3.16Å; V37-M41 PolarHBondContact O-N 2.65Å; V37-V47 HydrophobicContact CG1-CG1 4.01Å; V37-T50 HydrophobicContact CG1-CG2 4.26Å; V37-F55 HydrophobicContact CB-CE2 4.33Å; V37-F55 HydrophobicContact CG1-CE2 3.95Å; V37-F55 HydrophobicContact CG1-CZ 4.35Å |
| 38 | I | 76.9 | Confident | 71.4 | Confident | 38 Ų | 38 | 76.9 Ų | 76.9 | 20% | 0.195 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 175.5 | -57.8 | 168.9 | 0 | 0 | 0 | 110.3 | V34 K35 A40 M41 T42 F55 L59 | V34-I38 WeakPolarHBondContact O-CG1 3.34Å; V34-I38 PolarHBondContact O-N 3.31Å; K35-I38 PolarHBondContact O-N 3.45Å; I38-A40 PolarHBondContact O-N 2.68Å; I38-M41 PolarHBondContact O-N 2.98Å; I38-M41 VanDerWaalsContact O-N 3.12Å; I38-T42 HydrophobicContact CG2-CG2 4.17Å; I38-T42 VanDerWaalsContact O-CG2 3.27Å; I38-T42 WeakPolarHBondContact O-CG2 2.79Å; I38-T42 PolarHBondContact O-N 3.41Å; I38-T42 PolarHBondContact O-OG1 3.48Å; I38-F55 HydrophobicContact CD1-CE1 3.62Å; I38-F55 HydrophobicContact CD1-CZ 4Å; I38-F55 HydrophobicContact CG1-CE1 3.37Å; I38-F55 HydrophobicContact CG1-CZ 3.43Å; I38-F55 VanDerWaalsContact CG1-CZ 3.43Å; I38-L59 HydrophobicContact CD1-CD1 4.26Å; I38-L59 HydrophobicContact CD1-CD2 3.91Å |
| 39 | A | 73.3 | Confident | 70.1 | Confident | 55 Ų | 55 | 79.3 Ų | 79.3 | 46% | 0.455 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.8 | -33.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | K35 K36 V37 T42 V43 | K35-A39 PolarHBondContact O-N 3.25Å; K35-A39 VanDerWaalsContact O-N 3.08Å; K36-A39 PolarHBondContact O-N 2.95Å; V37-A39 VanDerWaalsContact C-N 3.35Å; V37-A39 PolarHBondContact O-N 3.11Å; A39-T42 WeakPolarHBondContact CA-OG1 3.29Å; A39-T42 PolarHBondContact O-OG1 2.76Å; A39-V43 WeakPolarHBondContact O-CB 3.43Å; A39-V43 VanDerWaalsContact O-CG2 3.27Å; A39-V43 WeakPolarHBondContact O-CG2 3.49Å; A39-V43 PolarHBondContact O-N 3.16Å |
| 40 | A | 72 | Confident | 68.8 | Low | 15 Ų | 15 | 77 Ų | 77 | 12% | 0.124 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -70.7 | -41 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | K36 V37 I38 V43 G44 K45 V47 | K36-A40 WeakPolarHBondContact O-CB 3.43Å; K36-A40 PolarHBondContact O-N 2.98Å; V37-A40 WeakPolarHBondContact O-CB 3.43Å; V37-A40 PolarHBondContact O-N 2.98Å; V37-A40 VanDerWaalsContact O-N 3.15Å; I38-A40 PolarHBondContact O-N 2.68Å; A40-V43 PolarHBondContact O-N 2.97Å; A40-G44 PolarHBondContact O-N 3.22Å; A40-K45 HydrophobicContact CB-CB 4.17Å; A40-K45 WeakPolarHBondContact O-CA 3.46Å; A40-K45 WeakPolarHBondContact O-CB 3.43Å; A40-K45 PolarHBondContact O-N 3.35Å; A40-V47 HydrophobicContact CB-CG2 4.12Å |
| 41 | M | 70.8 | Confident | 67.4 | Low | 81 Ų | 81 | 76.7 Ų | 76.7 | 40% | 0.399 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.5 | -39.5 | 176.9 | -70.5 | 179.9 | 73 | 0 | 0 | 112.1 | V37 I38 V43 G44 V47 F67 | V37-M41 HydrophobicContact CG1-CG 4.28Å; V37-M41 HydrophobicContact CG1-SD 3.99Å; V37-M41 VanDerWaalsContact O-CG 3.29Å; V37-M41 WeakPolarHBondContact O-CG 3.16Å; V37-M41 PolarHBondContact O-N 2.65Å; I38-M41 PolarHBondContact O-N 2.98Å; I38-M41 VanDerWaalsContact O-N 3.12Å; M41-V43 VanDerWaalsContact C-N 3.33Å; M41-V43 PolarHBondContact O-N 2.88Å; M41-G44 PolarHBondContact O-N 3.42Å; M41-G44 VanDerWaalsContact O-N 3.11Å; M41-V47 HydrophobicContact CG-CB 4.12Å; M41-V47 HydrophobicContact CG-CG2 3.77Å; M41-F67 HydrophobicContact CE-CE2 4.47Å |
| 42 | T | 66.1 | Low | 66.1 | Low | 89 Ų | 89 | 79.1 Ų | 79.1 | 55% | 0.546 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -69 | -30.7 | 177.6 | 58.4 | 0 | 0 | 0 | 0 | 112.7 | I38 A39 G44 I66 | I38-T42 HydrophobicContact CG2-CG2 4.17Å; I38-T42 VanDerWaalsContact O-CG2 3.27Å; I38-T42 WeakPolarHBondContact O-CG2 2.79Å; I38-T42 PolarHBondContact O-N 3.41Å; I38-T42 PolarHBondContact O-OG1 3.48Å; A39-T42 WeakPolarHBondContact CA-OG1 3.29Å; A39-T42 PolarHBondContact O-OG1 2.76Å; T42-G44 PolarHBondContact O-N 2.97Å; T42-I66 HydrophobicContact CG2-CG2 4.29Å |
| 43 | V | 68.1 | Low | 64.6 | Low | 116 Ų | 116 | 80.9 Ų | 80.9 | 70% | 0.703 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -1.8 | 173.8 | 168.8 | 0 | 0 | 0 | 0 | 112.1 | A39 A40 M41 K45 | A39-V43 WeakPolarHBondContact O-CB 3.43Å; A39-V43 VanDerWaalsContact O-CG2 3.27Å; A39-V43 WeakPolarHBondContact O-CG2 3.49Å; A39-V43 PolarHBondContact O-N 3.16Å; A40-V43 PolarHBondContact O-N 2.97Å; M41-V43 VanDerWaalsContact C-N 3.33Å; M41-V43 PolarHBondContact O-N 2.88Å; V43-K45 VanDerWaalsContact C-N 3.3Å |
| 44 | G | 63.2 | Low | 63.5 | Low | 68 Ų | 68 | 86 Ų | 86 | 70% | 0.701 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 21.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A40 M41 T42 | A40-G44 PolarHBondContact O-N 3.22Å; M41-G44 PolarHBondContact O-N 3.42Å; M41-G44 VanDerWaalsContact O-N 3.11Å; T42-G44 PolarHBondContact O-N 2.97Å |
| 45 | K | 64.5 | Low | 62.4 | Low | 38 Ų | 38 | 86.9 Ų | 86.9 | 17% | 0.165 | 45% | 0.449 | C | S | . | . | trans | -78.2 | 128.4 | 174.8 | -162.3 | 158.1 | 162.5 | 172.6 | 0 | 108.1 | K11 E14 A40 V43 V47 | K11-K45 HydrophobicContact CD-CD 3.81Å; K11-K45 HydrophobicContact CD-CG 4.07Å; K11-K45 VanDerWaalsContact CE-CE 3.44Å; K11-K45 HydrophobicContact CG-CD 4.45Å; K11-K45 VanDerWaalsContact CG-CE 3.41Å; E14-K45 IonicContact OE1-NZ 3.93Å; E14-K45 IonicContact OE2-NZ 3.76Å; E14-K45 PolarHBondContact OE2-NZ 3.29Å; A40-K45 HydrophobicContact CB-CB 4.17Å; A40-K45 WeakPolarHBondContact O-CA 3.46Å; A40-K45 WeakPolarHBondContact O-CB 3.43Å; A40-K45 PolarHBondContact O-N 3.35Å; V43-K45 VanDerWaalsContact C-N 3.3Å; K45-V47 WeakPolarHBondContact O-CG2 3.44Å; K45-V47 PolarHBondContact O-N 3.15Å | ||
| 46 | D | 60 | Low | 61 | Low | 88 Ų | 88 | 87 Ų | 87 | 47% | 0.471 | 45% | 0.452 | S | S | . | . | trans | -71.1 | 93.9 | -167.5 | -139.4 | -34.5 | 0 | 0 | 0 | 111.9 | R48 | D46-R48 PolarHBondContact O-N 2.97Å; D46-R48 WeakPolarHBondContact OD1-CD 3.47Å; D46-R48 WeakPolarHBondContact OD1-CG 3.27Å; D46-R48 IonicContact OD1-CZ 3.06Å; D46-R48 IonicContact OD1-NE 2.74Å; D46-R48 PolarHBondContact OD1-NE 3.49Å; D46-R48 IonicContact OD1-NH2 3.32Å; D46-R48 IonicContact OD2-CZ 2.65Å; D46-R48 VanDerWaalsContact OD2-CZ 3.32Å; D46-R48 IonicContact OD2-NE 2.76Å; D46-R48 PolarHBondContact OD2-NE 3.49Å; D46-R48 IonicContact OD2-NH2 3.89Å; D46-R48 PolarHBondContact OD2-NH2 3.11Å | ||
| 47 | V | 61.5 | Low | 59.4 | Low | 31 Ų | 31 | 87.9 Ų | 87.9 | 19% | 0.188 | 47% | 0.469 | C | S | . | . | trans | -97.7 | 52.4 | 178.5 | -161.4 | 0 | 0 | 0 | 0 | 110.7 | V37 A40 M41 K45 Y49 T50 | V37-V47 HydrophobicContact CG1-CG1 4.01Å; A40-V47 HydrophobicContact CB-CG2 4.12Å; M41-V47 HydrophobicContact CG-CB 4.12Å; M41-V47 HydrophobicContact CG-CG2 3.77Å; K45-V47 WeakPolarHBondContact O-CG2 3.44Å; K45-V47 PolarHBondContact O-N 3.15Å; V47-Y49 PolarHBondContact O-N 2.84Å; V47-T50 HydrophobicContact CG1-CG2 3.99Å; V47-T50 PolarHBondContact O-N 3.12Å | ||
| 48 | R | 56.8 | Low | 58.3 | Low | 195 Ų | 195 | 92 Ų | 92 | 74% | 0.736 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -6.3 | -174.7 | -51.1 | -161.1 | -160.9 | 175.9 | 9.8 | 115.9 | D46 | D46-R48 PolarHBondContact O-N 2.97Å; D46-R48 WeakPolarHBondContact OD1-CD 3.47Å; D46-R48 WeakPolarHBondContact OD1-CG 3.27Å; D46-R48 IonicContact OD1-CZ 3.06Å; D46-R48 IonicContact OD1-NE 2.74Å; D46-R48 PolarHBondContact OD1-NE 3.49Å; D46-R48 IonicContact OD1-NH2 3.32Å; D46-R48 IonicContact OD2-CZ 2.65Å; D46-R48 VanDerWaalsContact OD2-CZ 3.32Å; D46-R48 IonicContact OD2-NE 2.76Å; D46-R48 PolarHBondContact OD2-NE 3.49Å; D46-R48 IonicContact OD2-NH2 3.89Å; D46-R48 PolarHBondContact OD2-NH2 3.11Å |
| 49 | Y | 51.7 | Low | 57.3 | Low | 195 Ų | 195 | 92.5 Ų | 92.5 | 77% | 0.765 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | -3.8 | -172.6 | -58 | -74.4 | 0 | 0 | 0 | 114.3 | V47 | V47-Y49 PolarHBondContact O-N 2.84Š|
| 50 | T | 50 | Low | 56.1 | Low | 32 Ų | 32 | 93.2 Ų | 93.2 | 20% | 0.196 | 50% | 0.501 | C | S | . | . | S | Bend | trans | -96.9 | 105.6 | 172.1 | -150.2 | 0 | 0 | 0 | 0 | 107.7 | V37 V47 R52 | V37-T50 HydrophobicContact CG1-CG2 4.26Å; V47-T50 HydrophobicContact CG1-CG2 3.99Å; V47-T50 PolarHBondContact O-N 3.12Å; T50-R52 PolarHBondContact O-N 2.82Å; T50-R52 VanDerWaalsContact O-N 3.12Å |
| 51 | S | 45.5 | Very low | 54.9 | Low | 83 Ų | 83 | 98.3 Ų | 98.3 | 58% | 0.58 | 54% | 0.535 | S | S | * | . | trans | -52.2 | 121.7 | 173.3 | -52 | 0 | 0 | 0 | 0 | 108 | L53 D54 | S51-L53 PolarHBondContact O-N 3.28Å; S51-D54 WeakPolarHBondContact O-CB 3.44Å; S51-D54 PolarHBondContact O-N 3.47Å | ||
| 52 | R | 49.7 | Very low | 53.7 | Low | 161 Ų | 161 | 100.6 Ų | 100.6 | 61% | 0.608 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -50 | -26.7 | 179.8 | -155.5 | 176.2 | -174.6 | -159.6 | 0.2 | 112.7 | T50 | T50-R52 PolarHBondContact O-N 2.82Å; T50-R52 VanDerWaalsContact O-N 3.12Å |
| 53 | L | 45.1 | Very low | 52.5 | Low | 153 Ų | 153 | 103 Ų | 103 | 80% | 0.801 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68.7 | -26.9 | 176.2 | -75.7 | 128.2 | 0 | 0 | 0 | 115.3 | S51 F55 | S51-L53 PolarHBondContact O-N 3.28Å; L53-F55 VanDerWaalsContact C-N 3.32Å |
| 54 | D | 53.4 | Low | 51.5 | Low | 109 Ų | 109 | 102.6 Ų | 102.6 | 58% | 0.583 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -74.1 | -29.7 | 179.4 | -159.1 | -99.1 | 0 | 0 | 0 | 111.3 | S51 | S51-D54 WeakPolarHBondContact O-CB 3.44Å; S51-D54 PolarHBondContact O-N 3.47Å |
| 55 | F | 52.9 | Low | 50.7 | Low | 28 Ų | 28 | 102.9 Ų | 102.9 | 12% | 0.123 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -78.4 | -41 | -176.1 | -128.7 | -96.2 | 0 | 0 | 0 | 113.3 | V34 V37 I38 L53 C57 Y58 L59 | V34-F55 HydrophobicContact CB-CE2 4.24Å; V34-F55 HydrophobicContact CB-CZ 4.02Å; V34-F55 HydrophobicContact CG1-CE1 3.63Å; V34-F55 HydrophobicContact CG1-CE2 3.73Å; V34-F55 HydrophobicContact CG1-CZ 3.17Å; V34-F55 HydrophobicContact CG2-CE2 4.19Å; V34-F55 HydrophobicContact CG2-CZ 4.44Å; V34-F55 WeakPolarHBondContact O-CZ 3.4Å; V37-F55 HydrophobicContact CB-CE2 4.33Å; V37-F55 HydrophobicContact CG1-CE2 3.95Å; V37-F55 HydrophobicContact CG1-CZ 4.35Å; I38-F55 HydrophobicContact CD1-CE1 3.62Å; I38-F55 HydrophobicContact CD1-CZ 4Å; I38-F55 HydrophobicContact CG1-CE1 3.37Å; I38-F55 HydrophobicContact CG1-CZ 3.43Å; I38-F55 VanDerWaalsContact CG1-CZ 3.43Å; L53-F55 VanDerWaalsContact C-N 3.32Å; F55-C57 PolarHBondContact O-N 3.08Å; F55-Y58 PolarHBondContact O-N 3.38Å; F55-L59 HydrophobicContact CD1-CB 4.19Å; F55-L59 HydrophobicContact CD1-CD2 4.08Å; F55-L59 HydrophobicContact CE1-CD1 4.15Å; F55-L59 HydrophobicContact CE1-CD2 3.92Å; F55-L59 HydrophobicContact CE1-CG 4.46Å; F55-L59 WeakPolarHBondContact O-CB 3.27Å; F55-L59 PolarHBondContact O-N 3.31Å |
| 56 | E | 47.9 | Very low | 50.3 | Low | 147 Ų | 147 | 106 Ų | 106 | 69% | 0.687 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60.8 | -35.3 | 178.8 | -70.2 | -76.9 | 111.6 | 0 | 0 | 111.7 | ||
| 57 | C | 42.4 | Very low | 49.5 | Very low | 120 Ų | 120 | 108.4 Ų | 108.4 | 81% | 0.811 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -76.3 | -26.1 | 179.8 | -149.1 | 0 | 0 | 0 | 0 | 112.8 | F55 | F55-C57 PolarHBondContact O-N 3.08Å |
| 58 | Y | 53.2 | Low | 48.4 | Very low | 91 Ų | 91 | 112.4 Ų | 112.4 | 36% | 0.357 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -94.3 | -22.9 | -179.1 | -141.2 | -95.2 | 0 | 0 | 0 | 113.7 | K31 F55 | K31-Y58 HydrophobicContact CG-CE1 3.88Å; F55-Y58 PolarHBondContact O-N 3.38Å |
| 59 | L | 54.7 | Low | 47.5 | Very low | 48 Ų | 48 | 112.9 Ų | 112.9 | 25% | 0.251 | 62% | 0.616 | S | S | . | * | trans | -120.7 | 29.8 | -169.5 | -143.9 | 93.7 | 0 | 0 | 0 | 112.5 | V34 I38 F55 S61 F62 | V34-L59 HydrophobicContact CG1-CD1 3.67Å; I38-L59 HydrophobicContact CD1-CD1 4.26Å; I38-L59 HydrophobicContact CD1-CD2 3.91Å; F55-L59 HydrophobicContact CD1-CB 4.19Å; F55-L59 HydrophobicContact CD1-CD2 4.08Å; F55-L59 HydrophobicContact CE1-CD1 4.15Å; F55-L59 HydrophobicContact CE1-CD2 3.92Å; F55-L59 HydrophobicContact CE1-CG 4.46Å; F55-L59 WeakPolarHBondContact O-CB 3.27Å; F55-L59 PolarHBondContact O-N 3.31Å; L59-S61 PolarHBondContact O-N 3.13Å; L59-F62 HydrophobicContact CD2-CB 3.22Å; L59-F62 HydrophobicContact CD2-CD1 4.16Å; L59-F62 HydrophobicContact CD2-CG 3.78Å; L59-F62 HydrophobicContact CG-CB 3.82Å; L59-F62 PolarHBondContact O-N 2.91Å | ||
| 60 | G | 49.4 | Very low | 47.3 | Very low | 70 Ų | 70 | 108.8 Ų | 108.8 | 72% | 0.722 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | 28.2 | -179 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 61 | S | 46.5 | Very low | 47.2 | Very low | 122 Ų | 122 | 112.8 Ų | 112.8 | 85% | 0.853 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.6 | 0.5 | 168.8 | -50.8 | 0 | 0 | 0 | 0 | 113.4 | L59 H63 | L59-S61 PolarHBondContact O-N 3.13Å; S61-H63 PolarHBondContact O-N 3.45Å |
| 62 | F | 45.3 | Very low | 47.3 | Very low | 128 Ų | 128 | 114.4 Ų | 114.4 | 56% | 0.561 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -94.5 | 104.2 | 178.2 | -138.5 | -107.1 | 0 | 0 | 0 | 109.4 | L59 I66 | L59-F62 HydrophobicContact CD2-CB 3.22Å; L59-F62 HydrophobicContact CD2-CD1 4.16Å; L59-F62 HydrophobicContact CD2-CG 3.78Å; L59-F62 HydrophobicContact CG-CB 3.82Å; L59-F62 PolarHBondContact O-N 2.91Å; F62-I66 HydrophobicContact CD1-CD1 4.11Å; F62-I66 HydrophobicContact CE1-CD1 3.52Å; F62-I66 HydrophobicContact CZ-CD1 4.49Å |
| 63 | H | 40.3 | Very low | 47.1 | Very low | 139 Ų | 139 | 111.7 Ų | 111.7 | 64% | 0.644 | 63% | 0.634 | S | S | * | * | trans | -45 | 132.1 | -177.3 | -159.1 | -110.3 | 0 | 0 | 0 | 112.7 | S61 S65 | S61-H63 PolarHBondContact O-N 3.45Å; H63-S65 WeakPolarHBondContact ND1-CB 3.47Å; H63-S65 PolarHBondContact ND1-OG 3.35Å; H63-S65 PolarHBondContact O-N 2.73Å | ||
| 64 | P | 47.7 | Very low | 47.3 | Very low | 108 Ų | 108 | 109.1 Ų | 109.1 | 70% | 0.701 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -69.3 | 8.4 | -174.4 | 25.9 | -33.6 | 0 | 0 | 0 | 115.2 | I66 F67 | P64-I66 PolarHBondContact O-N 3.38Å; P64-I66 VanDerWaalsContact O-N 3.13Å; P64-F67 PolarHBondContact O-N 2.87Å |
| 65 | S | 47.2 | Very low | 46.8 | Very low | 74 Ų | 74 | 109.1 Ų | 109.1 | 52% | 0.517 | 63% | 0.627 | S | S | . | * | G | 310 helix | trans | -69.8 | -6.8 | -175.9 | 45.7 | 0 | 0 | 0 | 0 | 115.1 | H63 | H63-S65 WeakPolarHBondContact ND1-CB 3.47Å; H63-S65 PolarHBondContact ND1-OG 3.35Å; H63-S65 PolarHBondContact O-N 2.73Å |
| 66 | I | 54.3 | Low | 46.4 | Very low | 104 Ų | 104 | 114.9 Ų | 114.9 | 53% | 0.533 | 66% | 0.663 | S | S | . | * | G | 310 helix | trans | -89.2 | -12.8 | 179.9 | -66.9 | 159.4 | 0 | 0 | 0 | 112.3 | T42 F62 P64 | T42-I66 HydrophobicContact CG2-CG2 4.29Å; F62-I66 HydrophobicContact CD1-CD1 4.11Å; F62-I66 HydrophobicContact CE1-CD1 3.52Å; F62-I66 HydrophobicContact CZ-CD1 4.49Å; P64-I66 PolarHBondContact O-N 3.38Å; P64-I66 VanDerWaalsContact O-N 3.13Å |
| 67 | F | 43.8 | Very low | 46.3 | Very low | 138 Ų | 138 | 112.5 Ų | 112.5 | 61% | 0.605 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -93 | 2.8 | 179.2 | -139.5 | -87.8 | 0 | 0 | 0 | 114 | M41 P64 | M41-F67 HydrophobicContact CE-CE2 4.47Å; P64-F67 PolarHBondContact O-N 2.87Å |
| 68 | C | 38 | Very low | 46.6 | Very low | 116 Ų | 116 | 111.8 Ų | 111.8 | 78% | 0.784 | 65% | 0.648 | S | S | * | * | trans | -121.1 | 59.8 | -176.9 | -124.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 69 | T | 39.1 | Very low | 46 | Very low | 204 Ų | 204 | 113.7 Ų | 113.7 | 100% | 1.252 | 68% | 0.675 | S | S | * | * | trans | -145.8 | 0 | 159 | -64.9 | 0 | 0 | 0 | 0 | 108.4 |
Retrieved 69 of 69 residues in 34.2 ms
(Link to these results)