| 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 | 58.4 | Low | 67.4 | Low | 237 Ų | 237 | 131 Ų | 131 | 100% | 1.167 | 66% | 0.659 | S | S | * | * | 0 | 51.5 | 0 | -66 | 147.3 | 172.4 | 0 | 0 | 111.4 | |||||
| 2 | A | 61.5 | Low | 68 | Low | 69 Ų | 69 | 127.7 Ų | 127.7 | 57% | 0.57 | 65% | 0.65 | S | S | * | * | trans | -127.2 | -11.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | W4 I5 | A2-W4 VanDerWaalsContact C-N 3.3Å; A2-W4 PolarHBondContact O-N 3.42Å; A2-I5 PolarHBondContact O-N 3.34Å | ||
| 3 | L | 59.8 | Low | 68 | Low | 150 Ų | 150 | 126.2 Ų | 126.2 | 79% | 0.785 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -68.8 | -30.1 | -178.2 | -63.6 | 172.6 | 0 | 0 | 0 | 112.3 | R6 S7 | L3-R6 PolarHBondContact O-N 2.94Å; L3-S7 PolarHBondContact O-N 3.14Å; L3-S7 VanDerWaalsContact O-N 3.14Å |
| 4 | W | 63.5 | Low | 67.8 | Low | 214 Ų | 214 | 125.9 Ų | 125.9 | 81% | 0.811 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -72.9 | -28.4 | 179.6 | -71.5 | 64.6 | 0 | 0 | 0 | 113.3 | A2 R6 S7 L8 | A2-W4 VanDerWaalsContact C-N 3.3Å; A2-W4 PolarHBondContact O-N 3.42Å; W4-R6 VanDerWaalsContact C-N 3.32Å; W4-S7 WeakPolarHBondContact CA-OG 3.45Å; W4-S7 PolarHBondContact O-OG 3.48Å; W4-L8 PolarHBondContact O-N 3.41Å |
| 5 | I | 67.9 | Low | 67.4 | Low | 122 Ų | 122 | 122.8 Ų | 122.8 | 63% | 0.626 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -74.3 | -30 | 179.8 | -53.5 | 169.5 | 0 | 0 | 0 | 110.2 | A2 P9 | A2-I5 PolarHBondContact O-N 3.34Å; I5-P9 WeakPolarHBondContact O-CD 3.29Å |
| 6 | R | 67.3 | Low | 66.9 | Low | 196 Ų | 196 | 124.6 Ų | 124.6 | 74% | 0.74 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -88.3 | -23 | 179.1 | -168.5 | 163.3 | 158.1 | 167.6 | -7.1 | 112.9 | L3 W4 P9 | L3-R6 PolarHBondContact O-N 2.94Å; W4-R6 VanDerWaalsContact C-N 3.32Å; R6-P9 WeakPolarHBondContact O-CD 3.41Å; R6-P9 WeakPolarHBondContact O-CG 3.37Å |
| 7 | S | 71.9 | Confident | 66.3 | Low | 50 Ų | 50 | 122.1 Ų | 122.1 | 35% | 0.35 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -72.9 | -36.9 | 172.4 | 62.6 | 0 | 0 | 0 | 0 | 112.1 | L3 W4 L10 L11 | L3-S7 PolarHBondContact O-N 3.14Å; L3-S7 VanDerWaalsContact O-N 3.14Å; W4-S7 WeakPolarHBondContact CA-OG 3.45Å; W4-S7 PolarHBondContact O-OG 3.48Å; S7-L10 WeakPolarHBondContact O-CB 3.45Å; S7-L10 PolarHBondContact O-N 3.41Å; S7-L11 WeakPolarHBondContact O-CB 2.98Å; S7-L11 PolarHBondContact O-N 3.24Å |
| 8 | L | 73.3 | Confident | 65.4 | Low | 114 Ų | 114 | 117 Ų | 117 | 60% | 0.597 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -51.9 | -54.3 | 177.8 | -86.2 | 163.1 | 0 | 0 | 0 | 114.6 | W4 L10 L11 V12 | W4-L8 PolarHBondContact O-N 3.41Å; L8-L10 VanDerWaalsContact C-N 3.33Å; L8-L10 PolarHBondContact O-N 2.82Å; L8-L11 PolarHBondContact O-N 2.82Å; L8-V12 WeakPolarHBondContact O-CG2 3.33Å; L8-V12 PolarHBondContact O-N 3.45Å |
| 9 | P | 75.2 | Confident | 64.5 | Low | 68 Ų | 68 | 117.1 Ų | 117.1 | 44% | 0.442 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -67.5 | -33.5 | 178.9 | 25.9 | -34.2 | 0 | 0 | 0 | 112.1 | I5 R6 L11 V12 L13 | I5-P9 WeakPolarHBondContact O-CD 3.29Å; R6-P9 WeakPolarHBondContact O-CD 3.41Å; R6-P9 WeakPolarHBondContact O-CG 3.37Å; P9-L11 VanDerWaalsContact C-N 3.34Å; P9-V12 PolarHBondContact O-N 2.83Å; P9-L13 VanDerWaalsContact O-CB 3.29Å; P9-L13 WeakPolarHBondContact O-CB 3.49Å; P9-L13 PolarHBondContact O-N 3.21Å |
| 10 | L | 72.7 | Confident | 63.6 | Low | 103 Ų | 103 | 114.1 Ų | 114.1 | 54% | 0.539 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -64.8 | -38.1 | 173.6 | -84.6 | 166.9 | 0 | 0 | 0 | 111.9 | S7 L8 L14 | S7-L10 WeakPolarHBondContact O-CB 3.45Å; S7-L10 PolarHBondContact O-N 3.41Å; L8-L10 VanDerWaalsContact C-N 3.33Å; L8-L10 PolarHBondContact O-N 2.82Å; L10-L14 WeakPolarHBondContact O-CB 3.34Å; L10-L14 PolarHBondContact O-N 2.79Å |
| 11 | L | 70.1 | Confident | 62.7 | Low | 118 Ų | 118 | 115.1 Ų | 115.1 | 62% | 0.618 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -73.7 | -38 | 179 | -140.5 | 155.1 | 0 | 0 | 0 | 111 | S7 L8 P9 L14 A15 | S7-L11 WeakPolarHBondContact O-CB 2.98Å; S7-L11 PolarHBondContact O-N 3.24Å; L8-L11 PolarHBondContact O-N 2.82Å; P9-L11 VanDerWaalsContact C-N 3.34Å; L11-L14 PolarHBondContact O-N 2.84Å; L11-A15 VanDerWaalsContact O-CB 3.24Å; L11-A15 WeakPolarHBondContact O-CB 3.24Å; L11-A15 PolarHBondContact O-N 2.68Å |
| 12 | V | 73.9 | Confident | 61.9 | Low | 91 Ų | 91 | 109 Ų | 109 | 55% | 0.552 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -65.1 | -43.7 | 171.1 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | L8 P9 A15 L16 | L8-V12 WeakPolarHBondContact O-CG2 3.33Å; L8-V12 PolarHBondContact O-N 3.45Å; P9-V12 PolarHBondContact O-N 2.83Å; V12-A15 PolarHBondContact O-N 3.22Å; V12-L16 VanDerWaalsContact O-CB 3.24Å; V12-L16 WeakPolarHBondContact O-CB 3.18Å; V12-L16 PolarHBondContact O-N 3.38Å |
| 13 | L | 69.1 | Low | 61 | Low | 108 Ų | 108 | 114.6 Ų | 114.6 | 57% | 0.565 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -60.2 | -47.9 | 172.6 | -96.9 | 143.9 | 0 | 0 | 0 | 110.6 | P9 A15 L16 S17 | P9-L13 VanDerWaalsContact O-CB 3.29Å; P9-L13 WeakPolarHBondContact O-CB 3.49Å; P9-L13 PolarHBondContact O-N 3.21Å; L13-A15 VanDerWaalsContact C-N 3.31Å; L13-A15 PolarHBondContact O-N 3.49Å; L13-L16 CarbonylContact O-C 3.59Å; L13-L16 PolarHBondContact O-N 2.91Å; L13-S17 WeakPolarHBondContact O-CA 3.08Å; L13-S17 WeakPolarHBondContact O-CB 3.4Å; L13-S17 PolarHBondContact O-N 2.88Å; L13-S17 PolarHBondContact O-OG 3.31Å |
| 14 | L | 64.2 | Low | 59.8 | Low | 123 Ų | 123 | 111.9 Ų | 111.9 | 64% | 0.644 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -63.9 | -33 | 176.8 | -114.6 | 79.7 | 0 | 0 | 0 | 113.4 | L10 L11 G18 | L10-L14 WeakPolarHBondContact O-CB 3.34Å; L10-L14 PolarHBondContact O-N 2.79Å; L11-L14 PolarHBondContact O-N 2.84Å; L14-G18 WeakPolarHBondContact O-CA 3.24Å; L14-G18 PolarHBondContact O-N 2.83Å |
| 15 | A | 62.4 | Low | 58.6 | Low | 79 Ų | 79 | 105.1 Ų | 105.1 | 65% | 0.653 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -74 | -33.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L11 V12 L13 | L11-A15 VanDerWaalsContact O-CB 3.24Å; L11-A15 WeakPolarHBondContact O-CB 3.24Å; L11-A15 PolarHBondContact O-N 2.68Å; V12-A15 PolarHBondContact O-N 3.22Å; L13-A15 VanDerWaalsContact C-N 3.31Å; L13-A15 PolarHBondContact O-N 3.49Å |
| 16 | L | 59.8 | Low | 57.3 | Low | 152 Ų | 152 | 102.7 Ų | 102.7 | 80% | 0.796 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -86.2 | -30.7 | 178.9 | -167.6 | 65.1 | 0 | 0 | 0 | 112.8 | V12 L13 | V12-L16 VanDerWaalsContact O-CB 3.24Å; V12-L16 WeakPolarHBondContact O-CB 3.18Å; V12-L16 PolarHBondContact O-N 3.38Å; L13-L16 CarbonylContact O-C 3.59Å; L13-L16 PolarHBondContact O-N 2.91Å |
| 17 | S | 55.8 | Low | 56.1 | Low | 81 Ų | 81 | 98.1 Ų | 98.1 | 57% | 0.566 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -100.4 | -9.9 | -179.4 | 82 | 0 | 0 | 0 | 0 | 113 | L13 | L13-S17 WeakPolarHBondContact O-CA 3.08Å; L13-S17 WeakPolarHBondContact O-CB 3.4Å; L13-S17 PolarHBondContact O-N 2.88Å; L13-S17 PolarHBondContact O-OG 3.31Å |
| 18 | G | 50 | Low | 54.6 | Low | 31 Ų | 31 | 103 Ų | 103 | 32% | 0.32 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -63.5 | 132.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | L14 G20 | L14-G18 WeakPolarHBondContact O-CA 3.24Å; L14-G18 PolarHBondContact O-N 2.83Å; G18-G20 VanDerWaalsContact C-N 3.28Å; G18-G20 PolarHBondContact O-N 3.02Å |
| 19 | P | 47.8 | Very low | 53.2 | Low | 119 Ų | 119 | 103.8 Ų | 103.8 | 77% | 0.773 | 63% | 0.634 | S | S | * | * | trans | -58 | 105 | 162.6 | 24.4 | -28.9 | 0 | 0 | 0 | 105.1 | T21 | P19-T21 PolarHBondContact O-N 2.81Š| ||
| 20 | G | 46.8 | Very low | 51.7 | Low | 57 Ų | 57 | 106.4 Ų | 106.4 | 59% | 0.588 | 64% | 0.643 | S | S | * | * | trans | -44.3 | 121.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 107 | G18 S22 | G18-G20 VanDerWaalsContact C-N 3.28Å; G18-G20 PolarHBondContact O-N 3.02Å; G20-S22 VanDerWaalsContact C-N 3.29Å; G20-S22 WeakPolarHBondContact O-CA 3.44Å; G20-S22 PolarHBondContact O-N 3.47Å; G20-S22 PolarHBondContact O-OG 2.67Å | ||
| 21 | T | 44.9 | Very low | 50.7 | Low | 135 Ų | 135 | 106.6 Ų | 106.6 | 83% | 0.828 | 65% | 0.652 | S | S | * | * | trans | -31.2 | 94 | -172.6 | 47.7 | 0 | 0 | 0 | 0 | 109.8 | P19 H23 | P19-T21 PolarHBondContact O-N 2.81Å; T21-H23 PolarHBondContact O-N 2.89Å | ||
| 22 | S | 41.1 | Very low | 49.9 | Very low | 108 Ų | 108 | 103.4 Ų | 103.4 | 76% | 0.755 | 65% | 0.647 | S | S | * | * | trans | -83.5 | 56.7 | -177.6 | -63.1 | 0 | 0 | 0 | 0 | 106.5 | G20 | G20-S22 VanDerWaalsContact C-N 3.29Å; G20-S22 WeakPolarHBondContact O-CA 3.44Å; G20-S22 PolarHBondContact O-N 3.47Å; G20-S22 PolarHBondContact O-OG 2.67Å | ||
| 23 | H | 43.1 | Very low | 48.5 | Very low | 187 Ų | 187 | 105 Ų | 105 | 87% | 0.866 | 66% | 0.663 | S | S | * | * | trans | -121.6 | 58.9 | 178 | -106.1 | -145.4 | 0 | 0 | 0 | 106.6 | T21 | T21-H23 PolarHBondContact O-N 2.89Š| ||
| 24 | A | 34.1 | Very low | 47.3 | Very low | 94 Ų | 94 | 105.7 Ų | 105.7 | 78% | 0.777 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -169.1 | 141.3 | 155.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 25 | A | 38.7 | Very low | 46.6 | Very low | 72 Ų | 72 | 104.5 Ų | 104.5 | 60% | 0.595 | 66% | 0.657 | S | S | * | * | trans | 86 | 68.5 | 158.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | N27 | A25-N27 PolarHBondContact O-N 3.22Š| ||
| 26 | A | 42.1 | Very low | 45.8 | Very low | 70 Ų | 70 | 104.6 Ų | 104.6 | 58% | 0.579 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -54.9 | 41 | 141.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 27 | N | 41.4 | Very low | 45 | Very low | 101 Ų | 101 | 103.1 Ų | 103.1 | 54% | 0.54 | 64% | 0.638 | S | S | . | * | trans | -153.6 | 55.5 | -177.7 | -70.5 | -55.4 | 0 | 0 | 0 | 112.2 | A25 | A25-N27 PolarHBondContact O-N 3.22Š| ||
| 28 | Q | 40.8 | Very low | 44.5 | Very low | 153 Ų | 153 | 102.1 Ų | 102.1 | 72% | 0.715 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -131.8 | 133.6 | 162.9 | -71.3 | -170.8 | -13.2 | 0 | 0 | 109.5 | L30 | Q28-L30 WeakPolarHBondContact O-CD1 3.43Å; Q28-L30 WeakPolarHBondContact O-CG 3.4Å; Q28-L30 PolarHBondContact O-N 2.82Å |
| 29 | H | 42.3 | Very low | 44.4 | Very low | 130 Ų | 130 | 103.1 Ų | 103.1 | 60% | 0.602 | 63% | 0.632 | S | S | * | * | trans | -59.4 | 103 | -175.2 | -72.5 | -102.7 | 0 | 0 | 0 | 110.7 | ||||
| 30 | L | 44.9 | Very low | 44.1 | Very low | 122 Ų | 122 | 105.7 Ų | 105.7 | 64% | 0.639 | 63% | 0.628 | S | S | * | * | trans | -105.1 | 80.4 | -178.3 | -76.5 | 136.8 | 0 | 0 | 0 | 109.6 | Q28 | Q28-L30 WeakPolarHBondContact O-CD1 3.43Å; Q28-L30 WeakPolarHBondContact O-CG 3.4Å; Q28-L30 PolarHBondContact O-N 2.82Å | ||
| 31 | C | 51.1 | Low | 44.1 | Very low | 108 Ų | 108 | 109.9 Ų | 109.9 | 73% | 0.73 | 64% | 0.636 | S | S | * | * | trans | -89.4 | 113 | 164 | -172.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 32 | G | 54.4 | Low | 44.3 | Very low | 50 Ų | 50 | 108 Ų | 108 | 52% | 0.515 | 62% | 0.624 | S | S | . | * | S | Bend | trans | 117.4 | 129.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | H34 | G32-H34 VanDerWaalsContact C-N 3.25Å; G32-H34 PolarHBondContact O-N 3.45Å |
| 33 | S | 43.1 | Very low | 44.7 | Very low | 126 Ų | 126 | 103.9 Ų | 103.9 | 88% | 0.881 | 60% | 0.595 | S | S | * | * | S | Bend | trans | 44.3 | -25.9 | 167.9 | 61.7 | 0 | 0 | 0 | 0 | 122.2 | ||
| 34 | H | 45.4 | Very low | 45 | Very low | 122 Ų | 122 | 97.4 Ų | 97.4 | 57% | 0.565 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -99.2 | 4.3 | -177.4 | -123.3 | -68.9 | 0 | 0 | 0 | 114.3 | G32 E37 | G32-H34 VanDerWaalsContact C-N 3.25Å; G32-H34 PolarHBondContact O-N 3.45Å; H34-E37 IonicContact CE1-OE2 3.59Å; H34-E37 PolarHBondContact CE1-OE2 3.03Å |
| 35 | L | 48.1 | Very low | 45.3 | Very low | 98 Ų | 98 | 102.4 Ų | 102.4 | 51% | 0.513 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -77.7 | -24.6 | -178 | -155.6 | 82.9 | 0 | 0 | 0 | 113 | L39 | L35-L39 HydrophobicContact CG-CD1 4.42Å; L35-L39 WeakPolarHBondContact O-CD1 3.32Å; L35-L39 WeakPolarHBondContact O-CG 3.42Å; L35-L39 PolarHBondContact O-N 3.31Å |
| 36 | V | 45.3 | Very low | 45.7 | Very low | 80 Ų | 80 | 107.8 Ų | 107.8 | 49% | 0.485 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -78.5 | -32 | -177.3 | 172.3 | 0 | 0 | 0 | 0 | 111.6 | Y40 F48 | V36-Y40 WeakPolarHBondContact O-CB 3.46Å; V36-Y40 PolarHBondContact O-N 2.82Å; V36-F48 HydrophobicContact CG1-CZ 4.16Å |
| 37 | E | 44.3 | Very low | 45.8 | Very low | 122 Ų | 122 | 106.9 Ų | 106.9 | 57% | 0.57 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -79.5 | -32 | -175.5 | -158.6 | 155.3 | -154.2 | 0 | 0 | 112.7 | H34 L41 | H34-E37 IonicContact CE1-OE2 3.59Å; H34-E37 PolarHBondContact CE1-OE2 3.03Å; E37-L41 PolarHBondContact O-N 2.75Å |
| 38 | A | 45.8 | Very low | 45.9 | Very low | 59 Ų | 59 | 105.4 Ų | 105.4 | 49% | 0.488 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -74.2 | -33.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L41 V42 | A38-L41 PolarHBondContact O-N 3.04Å; A38-V42 WeakPolarHBondContact O-CB 3.13Å; A38-V42 VanDerWaalsContact O-CG2 3.32Å; A38-V42 WeakPolarHBondContact O-CG2 3.21Å; A38-V42 PolarHBondContact O-N 2.89Å |
| 39 | L | 46.9 | Very low | 46 | Very low | 52 Ų | 52 | 108.7 Ų | 108.7 | 27% | 0.272 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -72.2 | -31.5 | 173.4 | -79 | 169.4 | 0 | 0 | 0 | 112.5 | L35 L41 C43 F48 L102 | L35-L39 HydrophobicContact CG-CD1 4.42Å; L35-L39 WeakPolarHBondContact O-CD1 3.32Å; L35-L39 WeakPolarHBondContact O-CG 3.42Å; L35-L39 PolarHBondContact O-N 3.31Å; L39-L41 VanDerWaalsContact C-N 3.34Å; L39-C43 PolarHBondContact O-N 3.45Å; L39-C43 VanDerWaalsContact O-N 3.07Å; L39-F48 HydrophobicContact CB-CD1 4.48Å; L39-F48 HydrophobicContact CB-CE1 4.21Å; L39-F48 HydrophobicContact CB-CZ 4.42Å; L39-L102 HydrophobicContact CD2-CD2 3.84Å |
| 40 | Y | 41.1 | Very low | 46 | Very low | 174 Ų | 174 | 108.2 Ų | 108.2 | 68% | 0.682 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.2 | -35.8 | 172.9 | -150.8 | -88.9 | 0 | 0 | 0 | 112 | V36 G44 F48 | V36-Y40 WeakPolarHBondContact O-CB 3.46Å; V36-Y40 PolarHBondContact O-N 2.82Å; Y40-G44 PolarHBondContact O-N 3.07Å; Y40-F48 AromaticContact CD2-CE1 3.82Å; Y40-F48 HydrophobicContact CD2-CE1 3.82Å; Y40-F48 HydrophobicContact CD2-CZ 4.41Å; Y40-F48 HydrophobicContact CG-CE1 4.45Å |
| 41 | L | 46.6 | Very low | 45.5 | Very low | 144 Ų | 144 | 107.4 Ų | 107.4 | 75% | 0.754 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -78.2 | -30.2 | 177.4 | -100.9 | 146 | 0 | 0 | 0 | 113.8 | E37 A38 L39 | E37-L41 PolarHBondContact O-N 2.75Å; A38-L41 PolarHBondContact O-N 3.04Å; L39-L41 VanDerWaalsContact C-N 3.34Å |
| 42 | V | 49.1 | Very low | 44.8 | Very low | 95 Ų | 95 | 106.5 Ų | 106.5 | 58% | 0.576 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -87.2 | -35.4 | -178.4 | 170.6 | 0 | 0 | 0 | 0 | 113 | A38 G44 | A38-V42 WeakPolarHBondContact O-CB 3.13Å; A38-V42 VanDerWaalsContact O-CG2 3.32Å; A38-V42 WeakPolarHBondContact O-CG2 3.21Å; A38-V42 PolarHBondContact O-N 2.89Å; V42-G44 VanDerWaalsContact C-N 3.35Å |
| 43 | C | 49.5 | Very low | 43.9 | Very low | 22 Ų | 22 | 113.1 Ų | 113.1 | 15% | 0.149 | 60% | 0.596 | C | S | . | * | H | α-helix | trans | -82.3 | -15 | 173.2 | -111.2 | 0 | 0 | 0 | 0 | 113.3 | L39 E45 R46 | L39-C43 PolarHBondContact O-N 3.45Å; L39-C43 VanDerWaalsContact O-N 3.07Å; C43-E45 PolarHBondContact O-N 3.11Å; C43-R46 PolarHBondContact O-N 2.98Å |
| 44 | G | 50 | Low | 43.6 | Very low | 51 Ų | 51 | 111.7 Ų | 111.7 | 53% | 0.526 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 45.8 | -95.1 | 171 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y40 V42 | Y40-G44 PolarHBondContact O-N 3.07Å; V42-G44 VanDerWaalsContact C-N 3.35Å |
| 45 | E | 41 | Very low | 43.2 | Very low | 200 Ų | 200 | 114 Ų | 114 | 94% | 0.935 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -10.1 | -172.3 | -25 | -176.3 | -158.7 | 0 | 0 | 114.2 | C43 | C43-E45 PolarHBondContact O-N 3.11Š|
| 46 | R | 46.7 | Very low | 42.7 | Very low | 184 Ų | 184 | 121 Ų | 121 | 69% | 0.694 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -95.6 | -8.5 | -174.1 | -66.2 | -158 | 176.8 | -162.1 | 0.2 | 114.8 | C43 N107 | C43-R46 PolarHBondContact O-N 2.98Å; R46-N107 WeakPolarHBondContact CD-O 3.46Å; R46-N107 VanDerWaalsContact NH1-C 3.26Å; R46-N107 PolarHBondContact NH1-O 3.07Å; R46-N107 PolarHBondContact NH1-OXT 3.14Å; R46-N107 VanDerWaalsContact NH1-OXT 3.13Å |
| 47 | G | 43.1 | Very low | 42.3 | Very low | 52 Ų | 52 | 121.6 Ų | 121.6 | 54% | 0.536 | 62% | 0.615 | S | S | . | * | trans | 65 | 152.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 48 | F | 45.1 | Very low | 42 | Very low | 69 Ų | 69 | 122.9 Ų | 122.9 | 30% | 0.303 | 62% | 0.624 | S | S | . | * | trans | -131 | 134.2 | 168.5 | 71 | -89.3 | 0 | 0 | 0 | 108.8 | V36 L39 Y40 | V36-F48 HydrophobicContact CG1-CZ 4.16Å; L39-F48 HydrophobicContact CB-CD1 4.48Å; L39-F48 HydrophobicContact CB-CE1 4.21Å; L39-F48 HydrophobicContact CB-CZ 4.42Å; Y40-F48 AromaticContact CD2-CE1 3.82Å; Y40-F48 HydrophobicContact CD2-CE1 3.82Å; Y40-F48 HydrophobicContact CD2-CZ 4.41Å; Y40-F48 HydrophobicContact CG-CE1 4.45Å | ||
| 49 | F | 41.3 | Very low | 41.4 | Very low | 223 Ų | 223 | 128.2 Ų | 128.2 | 98% | 0.978 | 64% | 0.639 | S | S | * | * | trans | -92.3 | 95.5 | 171.3 | -89.7 | -91 | 0 | 0 | 0 | 108.7 | ||||
| 50 | Y | 42.8 | Very low | 41.1 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 47% | 0.467 | 67% | 0.666 | S | S | . | * | trans | -99.1 | 105.3 | 167.5 | -170 | -104.2 | 0 | 0 | 0 | 109.5 | P52 V89 | Y50-P52 HydrophobicContact CD1-CB 4.27Å; Y50-P52 HydrophobicContact CD1-CG 4.42Å; Y50-P52 HydrophobicContact CE1-CB 3.72Å; Y50-P52 HydrophobicContact CE1-CG 4.31Å; Y50-P52 WeakPolarHBondContact O-CD 3.41Å; Y50-V89 HydrophobicContact CE2-CG2 3.98Å | ||
| 51 | S | 35 | Very low | 40.9 | Very low | 105 Ų | 105 | 131.5 Ų | 131.5 | 73% | 0.734 | 67% | 0.67 | S | S | * | * | trans | -99.2 | 104.2 | 168.8 | -174.6 | 0 | 0 | 0 | 0 | 108.6 | K53 | S51-K53 PolarHBondContact O-N 3.13Å; S51-K53 VanDerWaalsContact O-N 3.17Å | ||
| 52 | P | 37 | Very low | 41.1 | Very low | 89 Ų | 89 | 132.2 Ų | 132.2 | 58% | 0.578 | 67% | 0.674 | S | S | * | * | trans | -77.1 | 104.6 | 179.8 | 28.1 | -28.6 | 0 | 0 | 0 | 109.2 | Y50 A54 | Y50-P52 HydrophobicContact CD1-CB 4.27Å; Y50-P52 HydrophobicContact CD1-CG 4.42Å; Y50-P52 HydrophobicContact CE1-CB 3.72Å; Y50-P52 HydrophobicContact CE1-CG 4.31Å; Y50-P52 WeakPolarHBondContact O-CD 3.41Å; P52-A54 PolarHBondContact O-N 2.82Å; P52-A54 VanDerWaalsContact O-N 3.11Å | ||
| 53 | K | 35.3 | Very low | 40.5 | Very low | 189 Ų | 189 | 134 Ų | 134 | 82% | 0.822 | 68% | 0.684 | S | S | * | * | trans | -71.2 | 103.9 | 160.1 | -76.3 | -153.7 | 178.5 | -178 | 0 | 107.9 | S51 R55 | S51-K53 PolarHBondContact O-N 3.13Å; S51-K53 VanDerWaalsContact O-N 3.17Å; K53-R55 PolarHBondContact O-N 3.05Å | ||
| 54 | A | 35.4 | Very low | 39.9 | Very low | 96 Ų | 96 | 138.2 Ų | 138.2 | 79% | 0.793 | 71% | 0.714 | S | S | * | * | trans | -56.1 | 108.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | P52 R56 | P52-A54 PolarHBondContact O-N 2.82Å; P52-A54 VanDerWaalsContact O-N 3.11Å; A54-R56 PolarHBondContact O-N 2.69Å; A54-R56 VanDerWaalsContact O-N 3.14Å | ||
| 55 | R | 37.8 | Very low | 39 | Very low | 171 Ų | 171 | 139.3 Ų | 139.3 | 65% | 0.645 | 73% | 0.725 | S | S | * | * | trans | -70.2 | 103.2 | 172.9 | -150.5 | -175.2 | -155.7 | -133.1 | 21.4 | 107.1 | K53 D57 E90 | K53-R55 PolarHBondContact O-N 3.05Å; R55-D57 VanDerWaalsContact C-N 3.33Å; R55-D57 IonicContact CZ-OD1 3.72Å; R55-D57 IonicContact NE-OD1 3.97Å; R55-D57 IonicContact NH1-OD1 2.8Å; R55-D57 PolarHBondContact NH1-OD1 3.05Å; R55-D57 IonicContact NH1-OD2 2.76Å; R55-D57 PolarHBondContact O-N 3.17Å; R55-E90 IonicContact CZ-OE1 3.87Å; R55-E90 IonicContact NE-OE1 3.47Å; R55-E90 IonicContact NH2-OE1 3.77Å; R55-E90 PolarHBondContact NH2-OE1 3.14Å | ||
| 56 | R | 37.1 | Very low | 39.4 | Very low | 244 Ų | 244 | 135.6 Ų | 135.6 | 92% | 0.921 | 72% | 0.719 | S | S | * | * | trans | -83 | 90.9 | 155.9 | -71 | -172.2 | -175.4 | -179.8 | 2 | 106 | A54 | A54-R56 PolarHBondContact O-N 2.69Å; A54-R56 VanDerWaalsContact O-N 3.14Å | ||
| 57 | D | 37.4 | Very low | 39 | Very low | 94 Ų | 94 | 134.9 Ų | 134.9 | 50% | 0.503 | 73% | 0.728 | S | S | . | * | trans | -61.6 | 142 | 155.8 | -61.1 | -65 | 0 | 0 | 0 | 107.8 | R55 | R55-D57 VanDerWaalsContact C-N 3.33Å; R55-D57 IonicContact CZ-OD1 3.72Å; R55-D57 IonicContact NE-OD1 3.97Å; R55-D57 IonicContact NH1-OD1 2.8Å; R55-D57 PolarHBondContact NH1-OD1 3.05Å; R55-D57 IonicContact NH1-OD2 2.76Å; R55-D57 PolarHBondContact O-N 3.17Å | ||
| 58 | I | 38.7 | Very low | 38.6 | Very low | 148 Ų | 148 | 142.5 Ų | 142.5 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | trans | 163.1 | 113.1 | 136.5 | -82.8 | 154.5 | 0 | 0 | 0 | 109.8 | ||||
| 59 | E | 32.7 | Very low | 38.1 | Very low | 171 Ų | 171 | 142.1 Ų | 142.1 | 80% | 0.799 | 76% | 0.756 | S | S | * | * | trans | 86.9 | 91.3 | 148.7 | -64.7 | 174 | 131 | 0 | 0 | 119.6 | ||||
| 60 | Q | 40.5 | Very low | 37.6 | Very low | 177 Ų | 177 | 139.7 Ų | 139.7 | 83% | 0.827 | 75% | 0.747 | S | S | * | * | trans | -62.6 | 133.2 | 141.3 | -62.5 | 171.6 | 17.4 | 0 | 0 | 108.7 | ||||
| 61 | P | 37.7 | Very low | 37.7 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | -131.4 | 128.1 | 123.7 | 3.2 | 18.2 | 0 | 0 | 0 | 112.7 | V63 | P61-V63 PolarHBondContact O-N 3.27Š| |||
| 62 | L | 48.9 | Very low | 37.6 | Very low | 159 Ų | 159 | 142.2 Ų | 142.2 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | -60.9 | 118 | 164.1 | -76.1 | 88.2 | 0 | 0 | 0 | 110.5 | ||||
| 63 | V | 38.1 | Very low | 37.6 | Very low | 131 Ų | 131 | 147 Ų | 147 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | -162.9 | 114.6 | 143.1 | 79.9 | 0 | 0 | 0 | 0 | 107.9 | P61 | P61-V63 PolarHBondContact O-N 3.27Š| ||
| 64 | S | 36.8 | Very low | 37.8 | Very low | 111 Ų | 111 | 143.9 Ų | 143.9 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | 175.4 | 144.5 | 102.5 | -68.6 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 65 | G | 29.7 | Very low | 37.8 | Very low | 74 Ų | 74 | 145.3 Ų | 145.3 | 76% | 0.763 | 78% | 0.775 | S | S | * | * | trans | -74.2 | -165.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 66 | P | 50.4 | Low | 37.5 | Very low | 123 Ų | 123 | 145 Ų | 145 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | trans | -98.5 | 137 | -152.8 | 36.1 | -31 | 0 | 0 | 0 | 113.7 | ||||
| 67 | L | 39 | Very low | 37.5 | Very low | 169 Ų | 169 | 142.3 Ų | 142.3 | 89% | 0.885 | 78% | 0.777 | S | S | * | * | trans | -174.1 | 146.2 | 154.6 | -116.2 | 140.1 | 0 | 0 | 0 | 112.9 | ||||
| 68 | R | 33.1 | Very low | 37.5 | Very low | 212 Ų | 212 | 146.4 Ų | 146.4 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | 83.7 | 116.1 | 176.4 | -59.2 | 175.4 | 87.5 | 138 | 0.8 | 113.5 | ||||
| 69 | G | 34.7 | Very low | 37.5 | Very low | 60 Ų | 60 | 149 Ų | 149 | 62% | 0.619 | 80% | 0.802 | S | S | * | * | cis | 89.9 | 120.2 | 32.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 70 | E | 32.5 | Very low | 38 | Very low | 173 Ų | 173 | 149 Ų | 149 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | trans | 79.1 | 102.7 | 167.8 | 78.7 | -137.4 | 57.4 | 0 | 0 | 120.7 | ||||
| 71 | A | 43.9 | Very low | 38 | Very low | 93 Ų | 93 | 149.9 Ų | 149.9 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -2.8 | 111.6 | 145.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 72 | E | 32.6 | Very low | 38.1 | Very low | 184 Ų | 184 | 149.6 Ų | 149.6 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -135.7 | 118.7 | 132.9 | -106.5 | -178.7 | 92.8 | 0 | 0 | 107.7 | L74 | E72-L74 PolarHBondContact O-N 3.1Å; E72-L74 VanDerWaalsContact O-N 3.14Å | ||
| 73 | E | 37.6 | Very low | 37.8 | Very low | 188 Ų | 188 | 151.4 Ų | 151.4 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | -80.6 | 92.3 | -172.7 | -57.9 | 179.3 | 107.8 | 0 | 0 | 109.6 | ||||
| 74 | L | 40.1 | Very low | 38.3 | Very low | 125 Ų | 125 | 150 Ų | 150 | 65% | 0.654 | 78% | 0.78 | S | S | * | * | trans | -138.6 | 95.9 | 164.5 | -102.2 | 151.3 | 0 | 0 | 0 | 108 | E72 F76 | E72-L74 PolarHBondContact O-N 3.1Å; E72-L74 VanDerWaalsContact O-N 3.14Å; L74-F76 HydrophobicContact CD2-CD2 4Å; L74-F76 HydrophobicContact CD2-CE2 4.03Å; L74-F76 PolarHBondContact O-N 3.01Å | ||
| 75 | P | 33.5 | Very low | 38.7 | Very low | 126 Ų | 126 | 153.7 Ų | 153.7 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -78.8 | 81.1 | 167.5 | 29 | -25.2 | 0 | 0 | 0 | 107.8 | Q77 | P75-Q77 VanDerWaalsContact C-N 3.33Å; P75-Q77 PolarHBondContact O-N 3.33Å | ||
| 76 | F | 31.9 | Very low | 39.4 | Very low | 164 Ų | 164 | 159.5 Ų | 159.5 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | trans | -57.4 | 103.5 | 154.3 | -103.7 | -97.6 | 0 | 0 | 0 | 107.4 | L74 Q78 | L74-F76 HydrophobicContact CD2-CD2 4Å; L74-F76 HydrophobicContact CD2-CE2 4.03Å; L74-F76 PolarHBondContact O-N 3.01Å; F76-Q78 PolarHBondContact O-N 3.22Å; F76-Q78 VanDerWaalsContact O-N 3.07Å | ||
| 77 | Q | 36.8 | Very low | 39.5 | Very low | 187 Ų | 187 | 155.6 Ų | 155.6 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 14.7 | 83.2 | 150.1 | -61.8 | -176.5 | -36.8 | 0 | 0 | 115.2 | P75 | P75-Q77 VanDerWaalsContact C-N 3.33Å; P75-Q77 PolarHBondContact O-N 3.33Å |
| 78 | Q | 39.1 | Very low | 39.9 | Very low | 181 Ų | 181 | 151 Ų | 151 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | trans | -127.9 | 24.9 | 168.9 | -141.6 | 170.1 | -49.6 | 0 | 0 | 112 | F76 E80 | F76-Q78 PolarHBondContact O-N 3.22Å; F76-Q78 VanDerWaalsContact O-N 3.07Å; Q78-E80 VanDerWaalsContact C-N 3.27Å | ||
| 79 | E | 37.7 | Very low | 40.5 | Very low | 203 Ų | 203 | 144.6 Ų | 144.6 | 95% | 0.949 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -86.8 | 2.5 | 168.2 | -67.4 | -169.3 | 96.4 | 0 | 0 | 112.9 | ||
| 80 | E | 43.4 | Very low | 41.2 | Very low | 170 Ų | 170 | 146.9 Ų | 146.9 | 79% | 0.794 | 72% | 0.717 | S | S | * | * | trans | -111.7 | 52.7 | 173.8 | -155.5 | 179 | 120.8 | 0 | 0 | 110.7 | Q78 E82 | Q78-E80 VanDerWaalsContact C-N 3.27Å; E80-E82 PolarHBondContact O-N 3.29Å | ||
| 81 | Y | 39.7 | Very low | 41.8 | Very low | 196 Ų | 196 | 143.5 Ų | 143.5 | 77% | 0.769 | 70% | 0.702 | S | S | * | * | trans | -81.7 | 75.4 | 150.2 | -160.4 | -103.6 | 0 | 0 | 0 | 107.3 | K83 | Y81-K83 PolarHBondContact O-N 3.49Š| ||
| 82 | E | 40.6 | Very low | 42.2 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 53% | 0.528 | 68% | 0.68 | S | S | . | * | trans | 21.8 | 105.1 | 148.2 | -74.7 | 169.6 | 102.5 | 0 | 0 | 112.2 | E80 V84 | E80-E82 PolarHBondContact O-N 3.29Å; E82-V84 WeakPolarHBondContact O-CG2 3.26Å; E82-V84 PolarHBondContact O-N 3.23Å | ||
| 83 | K | 42.8 | Very low | 42.9 | Very low | 197 Ų | 197 | 135.4 Ų | 135.4 | 86% | 0.857 | 66% | 0.658 | S | S | * | * | trans | -45 | 95.6 | 142.5 | -79.9 | 177.9 | 179.2 | 179.9 | 0 | 105.5 | Y81 K85 | Y81-K83 PolarHBondContact O-N 3.49Å; K83-K85 PolarHBondContact O-N 3.01Å | ||
| 84 | V | 48.6 | Very low | 43.1 | Very low | 101 Ų | 101 | 134.2 Ų | 134.2 | 61% | 0.612 | 65% | 0.652 | S | S | * | * | trans | -66 | 83.4 | 175.1 | -179.4 | 0 | 0 | 0 | 0 | 104 | E82 R86 | E82-V84 WeakPolarHBondContact O-CG2 3.26Å; E82-V84 PolarHBondContact O-N 3.23Å; V84-R86 PolarHBondContact O-N 3.36Å | ||
| 85 | K | 45.7 | Very low | 43.2 | Very low | 188 Ų | 188 | 133.7 Ų | 133.7 | 82% | 0.817 | 65% | 0.65 | S | S | * | * | trans | -62.3 | 87.9 | 165.6 | -76.5 | -176.9 | 176.9 | -177.8 | 0 | 103 | K83 G87 | K83-K85 PolarHBondContact O-N 3.01Å; K85-G87 PolarHBondContact O-N 2.94Å | ||
| 86 | R | 44.7 | Very low | 43.5 | Very low | 196 Ų | 196 | 131.8 Ų | 131.8 | 74% | 0.74 | 64% | 0.637 | S | S | * | * | trans | -43.8 | 110.4 | -179.4 | -74.4 | 179.7 | 176.1 | 169.3 | -1.9 | 106.2 | V84 I88 | V84-R86 PolarHBondContact O-N 3.36Å; R86-I88 PolarHBondContact O-N 2.76Å | ||
| 87 | G | 51.1 | Low | 44.2 | Very low | 41 Ų | 41 | 125.3 Ų | 125.3 | 42% | 0.423 | 61% | 0.611 | S | S | . | * | trans | -56.4 | 144 | -176.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | K85 V89 E90 | K85-G87 PolarHBondContact O-N 2.94Å; G87-V89 PolarHBondContact O-N 3.11Å; G87-E90 PolarHBondContact O-N 2.88Å | ||
| 88 | I | 47.9 | Very low | 44.6 | Very low | 73 Ų | 73 | 119.2 Ų | 119.2 | 37% | 0.374 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -48.9 | -21.6 | 174.8 | -165.7 | 163.1 | 0 | 0 | 0 | 113.2 | R86 C92 L102 Y105 | R86-I88 PolarHBondContact O-N 2.76Å; I88-C92 PolarHBondContact O-N 3.24Å; I88-L102 HydrophobicContact CD1-CD1 3.81Å; I88-L102 HydrophobicContact CD1-CG 4.3Å; I88-L102 HydrophobicContact CG1-CD1 4.24Å; I88-Y105 HydrophobicContact CD1-CD2 4.07Å; I88-Y105 HydrophobicContact CD1-CG 4.24Å |
| 89 | V | 46 | Very low | 44.9 | Very low | 78 Ų | 78 | 115.1 Ų | 115.1 | 47% | 0.473 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -70.3 | -33.3 | 179 | -173.3 | 0 | 0 | 0 | 0 | 113.1 | Y50 G87 C93 | Y50-V89 HydrophobicContact CE2-CG2 3.98Å; G87-V89 PolarHBondContact O-N 3.11Å; V89-C93 VanDerWaalsContact O-CB 3.26Å; V89-C93 WeakPolarHBondContact O-CB 3.37Å |
| 90 | E | 48.7 | Very low | 45.2 | Very low | 107 Ų | 107 | 114.3 Ų | 114.3 | 50% | 0.5 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -81.3 | -23.2 | 179.7 | -71 | -154.8 | 174.4 | 0 | 0 | 112.8 | R55 G87 | R55-E90 IonicContact CZ-OE1 3.87Å; R55-E90 IonicContact NE-OE1 3.47Å; R55-E90 IonicContact NH2-OE1 3.77Å; R55-E90 PolarHBondContact NH2-OE1 3.14Å; G87-E90 PolarHBondContact O-N 2.88Å |
| 91 | Q | 45.8 | Very low | 45.4 | Very low | 103 Ų | 103 | 111 Ų | 111 | 48% | 0.481 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -84.8 | -40 | -176.2 | -163.6 | 127.7 | -33.1 | 0 | 0 | 113 | N95 | Q91-N95 PolarHBondContact O-N 3.49Å; Q91-N95 VanDerWaalsContact O-O 3.06Å |
| 92 | C | 51.8 | Low | 45.8 | Very low | 45 Ų | 45 | 104.1 Ų | 104.1 | 30% | 0.304 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -99.9 | -5.5 | -173.5 | -57.7 | 0 | 0 | 0 | 0 | 115.2 | I88 N95 C97 | I88-C92 PolarHBondContact O-N 3.24Å; C92-N95 CarbonylContact C-O 3.51Å; C92-N95 WeakPolarHBondContact CA-O 3.27Å; C92-C97 WeakPolarHBondContact CA-SG 2.87Å; C92-C97 HydrophobicContact CB-CB 3.66Å; C92-C97 WeakPolarHBondContact CB-SG 3.06Å; C92-C97 WeakPolarHBondContact SG-CB 3.42Å; C92-C97 CovalentContact SG-SG 2.04Å; C92-C97 PolarHBondContact SG-SG 3.49Å |
| 93 | C | 48.2 | Very low | 46.1 | Very low | 61 Ų | 61 | 103.8 Ų | 103.8 | 41% | 0.412 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -90.5 | -34.5 | 170.3 | -161.8 | 0 | 0 | 0 | 0 | 111.7 | V89 | V89-C93 VanDerWaalsContact O-CB 3.26Å; V89-C93 WeakPolarHBondContact O-CB 3.37Å |
| 94 | H | 41.4 | Very low | 46.4 | Very low | 163 Ų | 163 | 101.1 Ų | 101.1 | 76% | 0.755 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -96.1 | -20.2 | -179.6 | -117.5 | 156.1 | 0 | 0 | 0 | 114.5 | ||
| 95 | N | 42.4 | Very low | 46.4 | Very low | 114 Ų | 114 | 104.8 Ų | 104.8 | 61% | 0.61 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -133 | 142.6 | 172 | -73.5 | -62.9 | 0 | 0 | 0 | 109.9 | Q91 C92 C97 | Q91-N95 PolarHBondContact O-N 3.49Å; Q91-N95 VanDerWaalsContact O-O 3.06Å; C92-N95 CarbonylContact C-O 3.51Å; C92-N95 WeakPolarHBondContact CA-O 3.27Å; N95-C97 PolarHBondContact O-N 2.87Å; N95-C97 VanDerWaalsContact O-N 3.11Å |
| 96 | T | 39.1 | Very low | 46.5 | Very low | 87 Ų | 87 | 98.3 Ų | 98.3 | 53% | 0.534 | 50% | 0.499 | S | S | . | . | trans | -59.9 | 112.6 | 175.5 | 29.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 97 | C | 47.4 | Very low | 46.7 | Very low | 28 Ų | 28 | 97.8 Ų | 97.8 | 19% | 0.189 | 51% | 0.51 | C | S | . | . | trans | -98.9 | 136.2 | 170.9 | -66.1 | 0 | 0 | 0 | 0 | 110.7 | C92 N95 | C92-C97 WeakPolarHBondContact CA-SG 2.87Å; C92-C97 HydrophobicContact CB-CB 3.66Å; C92-C97 WeakPolarHBondContact CB-SG 3.06Å; C92-C97 WeakPolarHBondContact SG-CB 3.42Å; C92-C97 CovalentContact SG-SG 2.04Å; C92-C97 PolarHBondContact SG-SG 3.49Å; N95-C97 PolarHBondContact O-N 2.87Å; N95-C97 VanDerWaalsContact O-N 3.11Å | ||
| 98 | S | 45.3 | Very low | 46.4 | Very low | 59 Ų | 59 | 100.6 Ų | 100.6 | 41% | 0.413 | 52% | 0.515 | S | S | . | . | trans | -81.1 | 151.1 | 169.8 | 60.6 | 0 | 0 | 0 | 0 | 111.1 | Y100 Q101 | S98-Y100 PolarHBondContact O-N 2.8Å; S98-Q101 PolarHBondContact O-N 2.74Å; S98-Q101 VanDerWaalsContact O-N 3.1Å | ||
| 99 | L | 45.1 | Very low | 46.4 | Very low | 94 Ų | 94 | 102.1 Ų | 102.1 | 49% | 0.492 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -49.3 | -33.1 | -179 | -143.8 | -164.7 | 0 | 0 | 0 | 113.2 | Q101 L102 E103 | L99-Q101 VanDerWaalsContact C-N 3.29Å; L99-Q101 PolarHBondContact O-N 2.65Å; L99-L102 WeakPolarHBondContact O-CB 3.37Å; L99-L102 PolarHBondContact O-N 3.04Å; L99-E103 HydrophobicContact CD2-CG 4.33Å; L99-E103 PolarHBondContact O-N 2.04Å |
| 100 | Y | 44.7 | Very low | 46.4 | Very low | 187 Ų | 187 | 103.4 Ų | 103.4 | 73% | 0.733 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.2 | -27.2 | -177.4 | -164.9 | -100.3 | 0 | 0 | 0 | 114.3 | S98 | S98-Y100 PolarHBondContact O-N 2.8Å |
| 101 | Q | 46.4 | Very low | 46.3 | Very low | 101 Ų | 101 | 103.2 Ų | 103.2 | 47% | 0.472 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -79.9 | -21.5 | 175.1 | -84.5 | 178.9 | -70 | 0 | 0 | 113.2 | S98 L99 | S98-Q101 PolarHBondContact O-N 2.74Å; S98-Q101 VanDerWaalsContact O-N 3.1Å; L99-Q101 VanDerWaalsContact C-N 3.29Å; L99-Q101 PolarHBondContact O-N 2.65Å |
| 102 | L | 49.2 | Very low | 46.3 | Very low | 50 Ų | 50 | 103.2 Ų | 103.2 | 26% | 0.262 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -79.7 | -33.8 | 178.3 | -125.5 | 73 | 0 | 0 | 0 | 111.4 | L39 I88 L99 N104 Y105 C106 | L39-L102 HydrophobicContact CD2-CD2 3.84Å; I88-L102 HydrophobicContact CD1-CD1 3.81Å; I88-L102 HydrophobicContact CD1-CG 4.3Å; I88-L102 HydrophobicContact CG1-CD1 4.24Å; L99-L102 WeakPolarHBondContact O-CB 3.37Å; L99-L102 PolarHBondContact O-N 3.04Å; L102-N104 PolarHBondContact O-N 3.46Å; L102-Y105 PolarHBondContact O-N 2.65Å; L102-C106 PolarHBondContact O-N 3.34Å |
| 103 | E | 46.4 | Very low | 45.9 | Very low | 106 Ų | 106 | 107.1 Ų | 107.1 | 50% | 0.495 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.2 | -25.6 | 177.2 | -73 | -178.9 | 155.7 | 0 | 0 | 113.1 | L99 Y105 C106 | L99-E103 HydrophobicContact CD2-CG 4.33Å; L99-E103 PolarHBondContact O-N 2.04Å; E103-Y105 PolarHBondContact O-N 2.99Å; E103-C106 PolarHBondContact O-N 2.91Å |
| 104 | N | 48.5 | Very low | 45.8 | Very low | 141 Ų | 141 | 110.4 Ų | 110.4 | 75% | 0.754 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -4.7 | 176.1 | -153.8 | 95 | 0 | 0 | 0 | 113.4 | L102 | L102-N104 PolarHBondContact O-N 3.46Š|
| 105 | Y | 48.9 | Very low | 46.1 | Very low | 179 Ų | 179 | 106.3 Ų | 106.3 | 70% | 0.702 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | -5.4 | 171.1 | -72.8 | -81.9 | 0 | 0 | 0 | 112.9 | I88 L102 E103 | I88-Y105 HydrophobicContact CD1-CD2 4.07Å; I88-Y105 HydrophobicContact CD1-CG 4.24Å; L102-Y105 PolarHBondContact O-N 2.65Å; E103-Y105 PolarHBondContact O-N 2.99Å |
| 106 | C | 47.5 | Very low | 46.4 | Very low | 52 Ų | 52 | 105.7 Ų | 105.7 | 35% | 0.351 | 53% | 0.532 | S | S | . | . | trans | -80.6 | 127.9 | 164.1 | -61.2 | 0 | 0 | 0 | 0 | 107.4 | L102 E103 | L102-C106 PolarHBondContact O-N 3.34Å; E103-C106 PolarHBondContact O-N 2.91Å | ||
| 107 | N | 48.3 | Very low | 47.1 | Very low | 184 Ų | 184 | 107.4 Ų | 107.4 | 98% | 0.984 | 53% | 0.532 | S | S | * | . | trans | -72.9 | 0 | 175.6 | -169 | 37 | 0 | 0 | 0 | 110.9 | R46 | R46-N107 WeakPolarHBondContact CD-O 3.46Å; R46-N107 VanDerWaalsContact NH1-C 3.26Å; R46-N107 PolarHBondContact NH1-O 3.07Å; R46-N107 PolarHBondContact NH1-OXT 3.14Å; R46-N107 VanDerWaalsContact NH1-OXT 3.13Å |
Retrieved 107 of 107 residues in 16.2 ms
(Link to these results)