| 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 | 33.8 | Very low | 39.6 | Very low | 158 Ų | 158 | 129.2 Ų | 129.2 | 78% | 0.778 | 64% | 0.643 | S | S | * | * | 0 | 124.8 | 0 | -80.8 | 154.3 | 170.8 | 0 | 0 | 107.9 | Y3 K20 | M1-Y3 HydrophobicContact CB-CE2 3.99Å; M1-Y3 WeakPolarHBondContact O-CD2 3.47Å; M1-Y3 PolarHBondContact O-N 3.11Å; M1-K20 WeakPolarHBondContact CE-O 3.43Å | |||
| 2 | K | 28.4 | Very low | 40 | Very low | 216 Ų | 216 | 131.3 Ų | 131.3 | 94% | 0.939 | 65% | 0.653 | S | S | * | * | trans | -75.9 | 107.2 | 170.9 | -69.2 | -176 | -179.6 | -179 | 0 | 106.6 | ||||
| 3 | Y | 33.1 | Very low | 40.1 | Very low | 162 Ų | 162 | 127 Ų | 127 | 64% | 0.635 | 66% | 0.662 | S | S | * | * | trans | -79.4 | 118.6 | 171.5 | -62.9 | -83.3 | 0 | 0 | 0 | 107.1 | M1 Y17 | M1-Y3 HydrophobicContact CB-CE2 3.99Å; M1-Y3 WeakPolarHBondContact O-CD2 3.47Å; M1-Y3 PolarHBondContact O-N 3.11Å; Y3-Y17 HydrophobicContact CD1-CD1 4.41Å | ||
| 4 | Y | 37.1 | Very low | 40.1 | Very low | 199 Ų | 199 | 127 Ų | 127 | 78% | 0.78 | 66% | 0.661 | S | S | * | * | trans | -82.1 | 125.8 | 176 | -163.8 | -95.3 | 0 | 0 | 0 | 108.2 | D6 | Y4-D6 PolarHBondContact O-N 3.06Š| ||
| 5 | Q | 41.4 | Very low | 40.1 | Very low | 118 Ų | 118 | 127.1 Ų | 127.1 | 55% | 0.551 | 66% | 0.657 | S | S | * | * | trans | -75.6 | 110.2 | 165.2 | -85.5 | 169.2 | -32.7 | 0 | 0 | 107 | P7 Q10 | Q5-P7 VanDerWaalsContact O-CD 3.3Å; Q5-P7 WeakPolarHBondContact O-CD 3.28Å; Q5-Q10 VanDerWaalsContact CD-NE2 3.27Å | ||
| 6 | D | 40.3 | Very low | 39.9 | Very low | 87 Ų | 87 | 124.9 Ų | 124.9 | 47% | 0.465 | 66% | 0.664 | S | S | . | * | trans | -64.9 | 118.9 | 166.6 | -165.3 | -38.5 | 0 | 0 | 0 | 108.1 | Y4 V8 C9 | Y4-D6 PolarHBondContact O-N 3.06Å; D6-V8 PolarHBondContact O-N 2.77Å; D6-V8 VanDerWaalsContact O-N 3.1Å; D6-V8 WeakPolarHBondContact OD1-CB 3.3Å; D6-V8 WeakPolarHBondContact OD1-CG2 3.37Å; D6-V8 PolarHBondContact OD1-N 2.92Å; D6-C9 PolarHBondContact O-N 2.76Å; D6-C9 VanDerWaalsContact O-N 3.15Å | ||
| 7 | P | 44.5 | Very low | 40 | Very low | 85 Ų | 85 | 125.6 Ų | 125.6 | 55% | 0.552 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -21 | -179.1 | -21.6 | 32.5 | 0 | 0 | 0 | 113.3 | Q5 | Q5-P7 VanDerWaalsContact O-CD 3.3Å; Q5-P7 WeakPolarHBondContact O-CD 3.28Å |
| 8 | V | 42.8 | Very low | 39.8 | Very low | 109 Ų | 109 | 122.2 Ų | 122.2 | 66% | 0.661 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -27.1 | -179.4 | -175 | 0 | 0 | 0 | 0 | 111.8 | D6 S11 | D6-V8 PolarHBondContact O-N 2.77Å; D6-V8 VanDerWaalsContact O-N 3.1Å; D6-V8 WeakPolarHBondContact OD1-CB 3.3Å; D6-V8 WeakPolarHBondContact OD1-CG2 3.37Å; D6-V8 PolarHBondContact OD1-N 2.92Å; V8-S11 PolarHBondContact O-OG 2.9Å |
| 9 | C | 45.5 | Very low | 39.3 | Very low | 63 Ų | 63 | 122.6 Ų | 122.6 | 43% | 0.426 | 67% | 0.666 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.1 | -15.5 | -179.5 | -69 | 0 | 0 | 0 | 0 | 114.1 | D6 S11 | D6-C9 PolarHBondContact O-N 2.76Å; D6-C9 VanDerWaalsContact O-N 3.15Å; C9-S11 PolarHBondContact O-N 3.49Å |
| 10 | Q | 44 | Very low | 39.2 | Very low | 122 Ų | 122 | 125.9 Ų | 125.9 | 57% | 0.57 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -24 | -179 | -82.2 | -179.4 | 5 | 0 | 0 | 113.7 | Q5 | Q5-Q10 VanDerWaalsContact CD-NE2 3.27Š|
| 11 | S | 44.5 | Very low | 39.2 | Very low | 102 Ų | 102 | 128.8 Ų | 128.8 | 71% | 0.713 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -14.7 | -179.4 | 59.7 | 0 | 0 | 0 | 0 | 114 | V8 C9 | V8-S11 PolarHBondContact O-OG 2.9Å; C9-S11 PolarHBondContact O-N 3.49Å |
| 12 | M | 45.2 | Very low | 39.5 | Very low | 155 Ų | 155 | 125.8 Ų | 125.8 | 76% | 0.764 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.5 | 2 | -177.6 | -68 | -174.9 | 175.6 | 0 | 0 | 114 | I14 | M12-I14 VanDerWaalsContact C-N 3.3Å; M12-I14 VanDerWaalsContact O-CG1 3.31Å; M12-I14 WeakPolarHBondContact O-CG1 3.45Å; M12-I14 PolarHBondContact O-N 3.45Å |
| 13 | G | 41.1 | Very low | 39.7 | Very low | 75 Ų | 75 | 120.8 Ų | 120.8 | 77% | 0.773 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.1 | 15.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 14 | I | 39.4 | Very low | 40 | Very low | 127 Ų | 127 | 118.1 Ų | 118.1 | 65% | 0.651 | 68% | 0.675 | S | S | * | * | trans | -120 | 131.4 | 179.4 | -27 | -180 | 0 | 0 | 0 | 109.6 | M12 | M12-I14 VanDerWaalsContact C-N 3.3Å; M12-I14 VanDerWaalsContact O-CG1 3.31Å; M12-I14 WeakPolarHBondContact O-CG1 3.45Å; M12-I14 PolarHBondContact O-N 3.45Å | ||
| 15 | Q | 40.6 | Very low | 39.9 | Very low | 128 Ų | 128 | 114.2 Ų | 114.2 | 60% | 0.598 | 68% | 0.677 | S | S | * | * | trans | -107.9 | 109.4 | 173.9 | -69.7 | -175.1 | -26.9 | 0 | 0 | 110.2 | Y17 | Q15-Y17 HydrophobicContact CB-CD2 4.4Å; Q15-Y17 HydrophobicContact CB-CE2 3.65Å; Q15-Y17 HydrophobicContact CG-CE2 4.44Å; Q15-Y17 PolarHBondContact NE2-OH 3.07Å; Q15-Y17 PolarHBondContact OE1-OH 2.94Å | ||
| 16 | A | 36.6 | Very low | 39.9 | Very low | 92 Ų | 92 | 113.7 Ų | 113.7 | 76% | 0.76 | 69% | 0.686 | S | S | * | * | trans | -95.4 | 134.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 17 | Y | 41.4 | Very low | 39.3 | Very low | 138 Ų | 138 | 114.8 Ų | 114.8 | 54% | 0.541 | 70% | 0.7 | S | S | . | * | trans | -128.7 | 125 | 175.6 | -63.8 | -72.2 | 0 | 0 | 0 | 110.8 | Y3 Q15 | Y3-Y17 HydrophobicContact CD1-CD1 4.41Å; Q15-Y17 HydrophobicContact CB-CD2 4.4Å; Q15-Y17 HydrophobicContact CB-CE2 3.65Å; Q15-Y17 HydrophobicContact CG-CE2 4.44Å; Q15-Y17 PolarHBondContact NE2-OH 3.07Å; Q15-Y17 PolarHBondContact OE1-OH 2.94Å | ||
| 18 | G | 36.8 | Very low | 39 | Very low | 64 Ų | 64 | 115.9 Ų | 115.9 | 66% | 0.66 | 72% | 0.716 | S | S | * | * | trans | -117.6 | 155.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 19 | P | 31.2 | Very low | 38.5 | Very low | 129 Ų | 129 | 118 Ų | 118 | 84% | 0.838 | 72% | 0.718 | S | S | * | * | trans | -82.6 | 144 | -172.6 | 32.3 | -32.1 | 0 | 0 | 0 | 112.3 | ||||
| 20 | K | 36.2 | Very low | 38.1 | Very low | 189 Ų | 189 | 120.6 Ų | 120.6 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | trans | -111.1 | 131.9 | 155.9 | -99.4 | -167.5 | 176.2 | -176.9 | 0 | 109.5 | M1 | M1-K20 WeakPolarHBondContact CE-O 3.43Š| ||
| 21 | E | 38.9 | Very low | 37.6 | Very low | 187 Ų | 187 | 120 Ų | 120 | 87% | 0.874 | 75% | 0.746 | S | S | * | * | trans | -66.9 | 162.2 | 179 | -62.9 | -150.1 | 162.2 | 0 | 0 | 113.8 | ||||
| 22 | S | 41 | Very low | 37 | Very low | 95 Ų | 95 | 120.2 Ų | 120.2 | 66% | 0.664 | 75% | 0.745 | S | S | * | * | trans | -47.8 | 147.8 | -167.5 | 53.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 23 | S | 33.2 | Very low | 36.6 | Very low | 111 Ų | 111 | 121.1 Ų | 121.1 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | -166.7 | 125.7 | 117 | 40.7 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 24 | S | 39.4 | Very low | 36.4 | Very low | 105 Ų | 105 | 124.5 Ų | 124.5 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | trans | 18.4 | 125.4 | 148.8 | 58 | 0 | 0 | 0 | 0 | 121 | ||||
| 25 | S | 33.6 | Very low | 35.8 | Very low | 118 Ų | 118 | 126.8 Ų | 126.8 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | 171.6 | 150.5 | 101.5 | 48.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 26 | S | 42.2 | Very low | 35.4 | Very low | 106 Ų | 106 | 126.4 Ų | 126.4 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | trans | -41.5 | 139.9 | -177.7 | 52.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 27 | C | 28.1 | Very low | 35.5 | Very low | 111 Ų | 111 | 128 Ų | 128 | 75% | 0.75 | 76% | 0.761 | S | S | * | * | trans | -165.9 | 122.9 | 134.9 | -95.9 | 0 | 0 | 0 | 0 | 110.3 | H29 | C27-H29 PolarHBondContact O-N 3.3Š| ||
| 28 | A | 37.9 | Very low | 35.2 | Very low | 108 Ų | 108 | 132.4 Ų | 132.4 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | trans | -68.7 | 109.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 29 | H | 31.8 | Very low | 35.1 | Very low | 153 Ų | 153 | 134.6 Ų | 134.6 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | trans | -128.3 | 130.2 | 164.1 | -73.9 | 48.2 | 0 | 0 | 0 | 106.2 | C27 S31 | C27-H29 PolarHBondContact O-N 3.3Å; H29-S31 PolarHBondContact O-N 3.07Å; H29-S31 VanDerWaalsContact O-N 3.08Å | ||
| 30 | S | 36.1 | Very low | 35.5 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | -33.9 | 114.6 | 176.9 | -58 | 0 | 0 | 0 | 0 | 110.9 | P32 | S30-P32 VanDerWaalsContact O-CD 3.27Å; S30-P32 WeakPolarHBondContact O-CD 3.11Å | ||
| 31 | S | 34 | Very low | 35.8 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | -52.3 | 115.5 | -177.9 | -59.3 | 0 | 0 | 0 | 0 | 108.7 | H29 Q33 | H29-S31 PolarHBondContact O-N 3.07Å; H29-S31 VanDerWaalsContact O-N 3.08Å; S31-Q33 PolarHBondContact O-N 3.34Å; S31-Q33 VanDerWaalsContact O-N 3.14Å | ||
| 32 | P | 33.2 | Very low | 36.4 | Very low | 108 Ų | 108 | 127.8 Ų | 127.8 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | trans | -60.3 | 124.5 | 166.4 | -7.3 | 21.2 | 0 | 0 | 0 | 104.6 | S30 I34 | S30-P32 VanDerWaalsContact O-CD 3.27Å; S30-P32 WeakPolarHBondContact O-CD 3.11Å; P32-I34 PolarHBondContact O-N 3.14Å | ||
| 33 | Q | 35.1 | Very low | 37.8 | Very low | 174 Ų | 174 | 126.1 Ų | 126.1 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | trans | -57.9 | 95.3 | 169.2 | -67.8 | -74.8 | 12.5 | 0 | 0 | 106.5 | S31 K35 | S31-Q33 PolarHBondContact O-N 3.34Å; S31-Q33 VanDerWaalsContact O-N 3.14Å; Q33-K35 PolarHBondContact O-N 3.07Å | ||
| 34 | I | 37.5 | Very low | 39.7 | Very low | 145 Ų | 145 | 123 Ų | 123 | 74% | 0.744 | 71% | 0.707 | S | S | * | * | trans | -66 | 95.7 | 172.2 | -60.8 | 175.1 | 0 | 0 | 0 | 103.5 | P32 | P32-I34 PolarHBondContact O-N 3.14Š| ||
| 35 | K | 26.7 | Very low | 41.3 | Very low | 176 Ų | 176 | 120.4 Ų | 120.4 | 77% | 0.765 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 131.2 | 170.5 | -54.4 | -171.9 | -174.6 | -175.8 | 0 | 105.3 | Q33 V37 | Q33-K35 PolarHBondContact O-N 3.07Å; K35-V37 PolarHBondContact O-N 3.35Å |
| 36 | P | 32.1 | Very low | 43.2 | Very low | 119 Ų | 119 | 119 Ų | 119 | 77% | 0.773 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -49 | 121.3 | -178.4 | 18.4 | -30 | 0 | 0 | 0 | 107.3 | R38 | P36-R38 PolarHBondContact O-N 3.26Š|
| 37 | V | 38.3 | Very low | 45.1 | Very low | 127 Ų | 127 | 115.7 Ų | 115.7 | 77% | 0.77 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 119.4 | 175.2 | -153.9 | 0 | 0 | 0 | 0 | 104 | K35 S39 | K35-V37 PolarHBondContact O-N 3.35Å; V37-S39 PolarHBondContact O-N 3.47Å |
| 38 | R | 35.2 | Very low | 47.8 | Very low | 229 Ų | 229 | 110.4 Ų | 110.4 | 86% | 0.864 | 61% | 0.607 | S | S | * | * | trans | -42.6 | 116.7 | -176.5 | -78.6 | 178.7 | 167.3 | 148.9 | -4.8 | 106.3 | P36 V40 | P36-R38 PolarHBondContact O-N 3.26Å; R38-V40 PolarHBondContact O-N 3.3Å | ||
| 39 | S | 35.1 | Very low | 49.9 | Very low | 111 Ų | 111 | 106.1 Ų | 106.1 | 78% | 0.776 | 57% | 0.569 | S | S | * | * | trans | -46.7 | 111 | 174.9 | -179.8 | 0 | 0 | 0 | 0 | 105.1 | V37 H41 | V37-S39 PolarHBondContact O-N 3.47Å; S39-H41 PolarHBondContact O-N 3.15Å | ||
| 40 | V | 40.8 | Very low | 52.4 | Low | 98 Ų | 98 | 101.9 Ų | 101.9 | 59% | 0.594 | 55% | 0.551 | S | S | * | * | trans | -70.3 | 93 | 179.3 | -170.3 | 0 | 0 | 0 | 0 | 103.1 | R38 F42 | R38-V40 PolarHBondContact O-N 3.3Å; V40-F42 HydrophobicContact CB-CD2 4.24Å; V40-F42 HydrophobicContact CB-CE2 3.75Å; V40-F42 HydrophobicContact CB-CZ 4.11Å; V40-F42 HydrophobicContact CG1-CD1 4.27Å; V40-F42 HydrophobicContact CG1-CD2 4Å; V40-F42 HydrophobicContact CG1-CE1 3.8Å; V40-F42 HydrophobicContact CG1-CE2 3.5Å; V40-F42 HydrophobicContact CG1-CG 4.37Å; V40-F42 HydrophobicContact CG1-CZ 3.4Å; V40-F42 WeakPolarHBondContact O-CD2 3.47Å; V40-F42 PolarHBondContact O-N 3.47Å | ||
| 41 | H | 41.4 | Very low | 54.9 | Low | 146 Ų | 146 | 98.1 Ų | 98.1 | 68% | 0.676 | 52% | 0.519 | S | S | * | . | trans | -73.9 | 85.7 | 176.8 | -173.9 | 65.9 | 0 | 0 | 0 | 105.5 | S39 | S39-H41 PolarHBondContact O-N 3.15Š| ||
| 42 | F | 51.9 | Low | 57.5 | Low | 118 Ų | 118 | 93 Ų | 93 | 52% | 0.518 | 48% | 0.483 | S | S | . | . | trans | -63.2 | 129.5 | 162.9 | -64.2 | -75.7 | 0 | 0 | 0 | 106.4 | V40 N44 V47 | V40-F42 HydrophobicContact CB-CD2 4.24Å; V40-F42 HydrophobicContact CB-CE2 3.75Å; V40-F42 HydrophobicContact CB-CZ 4.11Å; V40-F42 HydrophobicContact CG1-CD1 4.27Å; V40-F42 HydrophobicContact CG1-CD2 4Å; V40-F42 HydrophobicContact CG1-CE1 3.8Å; V40-F42 HydrophobicContact CG1-CE2 3.5Å; V40-F42 HydrophobicContact CG1-CG 4.37Å; V40-F42 HydrophobicContact CG1-CZ 3.4Å; V40-F42 WeakPolarHBondContact O-CD2 3.47Å; V40-F42 PolarHBondContact O-N 3.47Å; F42-N44 PolarHBondContact O-N 3.27Å; F42-V47 HydrophobicContact CB-CG2 3.61Å | ||
| 43 | P | 70.7 | Confident | 60 | Low | 60 Ų | 60 | 93 Ų | 93 | 39% | 0.39 | 47% | 0.469 | S | S | . | . | trans | -47.3 | 136.1 | 170 | -22.7 | 30.3 | 0 | 0 | 0 | 109 | D45 I46 V47 | P43-D45 PolarHBondContact O-N 3.24Å; P43-I46 HydrophobicContact CB-CG1 4.27Å; P43-I46 HydrophobicContact CG-CD1 3.97Å; P43-I46 HydrophobicContact CG-CG1 4.23Å; P43-I46 PolarHBondContact O-N 2.97Å; P43-V47 PolarHBondContact O-N 3.19Å | ||
| 44 | N | 73.1 | Confident | 62.4 | Low | 44 Ų | 44 | 90 Ų | 90 | 24% | 0.235 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -55.1 | -27.8 | -178.3 | -67 | -40.8 | 0 | 0 | 0 | 111.3 | F42 F48 F63 R68 V69 | F42-N44 PolarHBondContact O-N 3.27Å; N44-F48 WeakPolarHBondContact O-CB 3.42Å; N44-F48 PolarHBondContact O-N 2.89Å; N44-F63 HydrophobicContact CB-CE1 4.2Å; N44-R68 HydrophobicContact CB-CB 4.43Å; N44-R68 WeakPolarHBondContact CB-O 3.32Å; N44-R68 PolarHBondContact ND2-O 3.28Å; N44-R68 VanDerWaalsContact ND2-O 3.14Å; N44-V69 HydrophobicContact CB-CG2 3.69Å |
| 45 | D | 72.4 | Confident | 64.8 | Low | 51 Ų | 51 | 83.9 Ų | 83.9 | 27% | 0.273 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 177.7 | -50 | -55.5 | 0 | 0 | 0 | 112.4 | P43 F48 Q49 V69 T73 Y75 | P43-D45 PolarHBondContact O-N 3.24Å; D45-F48 PolarHBondContact O-N 3.45Å; D45-Q49 WeakPolarHBondContact O-CB 3.48Å; D45-Q49 PolarHBondContact O-N 3.13Å; D45-V69 WeakPolarHBondContact OD1-CG1 3.48Å; D45-T73 HydrophobicContact CB-CG2 3.93Å; D45-T73 PolarHBondContact OD1-OG1 2.93Å; D45-Y75 HydrophobicContact CB-CE1 4.25Å; D45-Y75 WeakPolarHBondContact O-CE1 3.43Å |
| 46 | I | 74.6 | Confident | 67.7 | Low | 90 Ų | 90 | 77.9 Ų | 77.9 | 46% | 0.462 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 178.1 | -60.9 | -173.7 | 0 | 0 | 0 | 110.6 | P43 F48 Q49 D50 | P43-I46 HydrophobicContact CB-CG1 4.27Å; P43-I46 HydrophobicContact CG-CD1 3.97Å; P43-I46 HydrophobicContact CG-CG1 4.23Å; P43-I46 PolarHBondContact O-N 2.97Å; I46-F48 VanDerWaalsContact C-N 3.31Å; I46-F48 PolarHBondContact O-N 3.26Å; I46-Q49 PolarHBondContact O-N 2.64Å; I46-D50 PolarHBondContact O-N 3.41Å |
| 47 | V | 81.9 | Confident | 70.5 | Confident | 35 Ų | 35 | 75.4 Ų | 75.4 | 21% | 0.212 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67 | -37.6 | 179.7 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | F42 P43 D50 Y51 F63 | F42-V47 HydrophobicContact CB-CG2 3.61Å; P43-V47 PolarHBondContact O-N 3.19Å; V47-D50 PolarHBondContact O-N 3.45Å; V47-Y51 HydrophobicContact CG1-CD2 4.26Å; V47-Y51 HydrophobicContact CG1-CE1 4.38Å; V47-Y51 HydrophobicContact CG1-CE2 3.45Å; V47-Y51 VanDerWaalsContact CG1-CE2 3.45Å; V47-Y51 WeakPolarHBondContact CG1-OH 3.27Å; V47-Y51 VanDerWaalsContact O-CD2 3.27Å; V47-Y51 WeakPolarHBondContact O-CD2 3.2Å; V47-Y51 PolarHBondContact O-N 2.89Å; V47-F63 HydrophobicContact CB-CE1 4.43Å; V47-F63 HydrophobicContact CB-CZ 4.49Å; V47-F63 HydrophobicContact CG1-CE1 4.31Å; V47-F63 HydrophobicContact CG1-CZ 3.91Å |
| 48 | F | 84.3 | Confident | 72.9 | Confident | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -68 | -40.7 | 176.9 | -179.3 | -107.4 | 0 | 0 | 0 | 112.2 | N44 D45 I46 D50 Y51 V52 I60 F63 I64 V69 L71 Y75 A81 L97 | N44-F48 WeakPolarHBondContact O-CB 3.42Å; N44-F48 PolarHBondContact O-N 2.89Å; D45-F48 PolarHBondContact O-N 3.45Å; I46-F48 VanDerWaalsContact C-N 3.31Å; I46-F48 PolarHBondContact O-N 3.26Å; F48-D50 VanDerWaalsContact C-N 3.3Å; F48-D50 PolarHBondContact O-N 2.87Å; F48-Y51 PolarHBondContact O-N 3.34Å; F48-V52 HydrophobicContact CD1-CG2 4.34Å; F48-V52 HydrophobicContact CE1-CG2 4.02Å; F48-V52 HydrophobicContact CZ-CG2 4.12Å; F48-V52 WeakPolarHBondContact O-CG2 3.4Å; F48-V52 PolarHBondContact O-N 3.15Å; F48-I60 HydrophobicContact CE2-CB 4.25Å; F48-I60 HydrophobicContact CE2-CG2 3.75Å; F48-I60 HydrophobicContact CZ-CG2 4.02Å; F48-F63 HydrophobicContact CB-CD1 4.02Å; F48-F63 HydrophobicContact CB-CE1 4.49Å; F48-F63 HydrophobicContact CD2-CB 3.57Å; F48-F63 HydrophobicContact CD2-CD1 4.12Å; F48-F63 HydrophobicContact CD2-CG 4.05Å; F48-F63 HydrophobicContact CE2-CB 3.96Å; F48-F63 HydrophobicContact CG-CD1 4.49Å; F48-I64 HydrophobicContact CE2-CD1 4.26Å; F48-I64 HydrophobicContact CE2-CG1 3.85Å; F48-I64 HydrophobicContact CZ-CD1 4.09Å; F48-I64 HydrophobicContact CZ-CG1 3.89Å; F48-V69 HydrophobicContact CB-CG1 4.37Å; F48-V69 HydrophobicContact CB-CG2 3.81Å; F48-V69 HydrophobicContact CD1-CB 4.31Å; F48-V69 HydrophobicContact CD1-CG1 3.6Å; F48-V69 HydrophobicContact CD1-CG2 4.47Å; F48-V69 HydrophobicContact CE1-CG1 4.02Å; F48-V69 HydrophobicContact CG-CB 4.29Å; F48-V69 HydrophobicContact CG-CG1 4.03Å; F48-V69 HydrophobicContact CG-CG2 4.08Å; F48-L71 HydrophobicContact CE1-CD2 4.3Å; F48-L71 HydrophobicContact CZ-CD2 4.03Å; F48-Y75 WeakPolarHBondContact CD1-OH 3.49Å; F48-A81 HydrophobicContact CE1-CB 3.76Å; F48-L97 HydrophobicContact CZ-CD2 3.94Å |
| 49 | Q | 82.3 | Confident | 75.4 | Confident | 19 Ų | 19 | 71 Ų | 71 | 9% | 0.089 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -56.8 | -45 | 174.2 | -168.4 | -169.1 | 15.5 | 0 | 0 | 111.6 | D45 I46 Y51 V52 R53 Y75 H76 E84 | D45-Q49 WeakPolarHBondContact O-CB 3.48Å; D45-Q49 PolarHBondContact O-N 3.13Å; I46-Q49 PolarHBondContact O-N 2.64Å; Q49-Y51 VanDerWaalsContact C-N 3.32Å; Q49-Y51 PolarHBondContact O-N 2.93Å; Q49-V52 PolarHBondContact O-N 3.1Å; Q49-R53 PolarHBondContact O-N 3.33Å; Q49-Y75 HydrophobicContact CB-CD1 4.23Å; Q49-Y75 HydrophobicContact CB-CE1 3.79Å; Q49-Y75 HydrophobicContact CG-CD1 4.28Å; Q49-Y75 HydrophobicContact CG-CD2 4.35Å; Q49-Y75 HydrophobicContact CG-CE1 4.2Å; Q49-Y75 HydrophobicContact CG-CE2 4.28Å; Q49-Y75 HydrophobicContact CG-CG 4.37Å; Q49-H76 PolarHBondContact NE2-NE2 3.37Å; Q49-H76 VanDerWaalsContact NE2-NE2 3.13Å; Q49-E84 PolarHBondContact NE2-OE2 2.84Å |
| 50 | D | 84.2 | Confident | 77.9 | Confident | 64 Ų | 64 | 65.8 Ų | 65.8 | 34% | 0.342 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.1 | -41.2 | 178.1 | -173.6 | 49.2 | 0 | 0 | 0 | 112.1 | I46 V47 F48 R53 Q54 | I46-D50 PolarHBondContact O-N 3.41Å; V47-D50 PolarHBondContact O-N 3.45Å; F48-D50 VanDerWaalsContact C-N 3.3Å; F48-D50 PolarHBondContact O-N 2.87Å; D50-R53 PolarHBondContact O-N 3.44Å; D50-Q54 WeakPolarHBondContact O-CB 3.17Å; D50-Q54 VanDerWaalsContact O-CG 3.32Å; D50-Q54 WeakPolarHBondContact O-CG 3.46Å; D50-Q54 PolarHBondContact O-N 2.9Å; D50-Q54 PolarHBondContact OD1-NE2 3.31Å; D50-Q54 PolarHBondContact OD2-NE2 3.48Å |
| 51 | Y | 88.3 | Confident | 80.1 | Confident | 39 Ų | 39 | 61.9 Ų | 61.9 | 15% | 0.153 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.1 | -38.4 | 174.8 | -60.9 | -32.5 | 0 | 0 | 0 | 113.4 | V47 F48 Q49 Q54 G55 E56 R59 F63 | V47-Y51 HydrophobicContact CG1-CD2 4.26Å; V47-Y51 HydrophobicContact CG1-CE1 4.38Å; V47-Y51 HydrophobicContact CG1-CE2 3.45Å; V47-Y51 VanDerWaalsContact CG1-CE2 3.45Å; V47-Y51 WeakPolarHBondContact CG1-OH 3.27Å; V47-Y51 VanDerWaalsContact O-CD2 3.27Å; V47-Y51 WeakPolarHBondContact O-CD2 3.2Å; V47-Y51 PolarHBondContact O-N 2.89Å; F48-Y51 PolarHBondContact O-N 3.34Å; Q49-Y51 VanDerWaalsContact C-N 3.32Å; Q49-Y51 PolarHBondContact O-N 2.93Å; Y51-Q54 PolarHBondContact O-N 3.41Å; Y51-G55 PolarHBondContact O-N 2.97Å; Y51-E56 WeakPolarHBondContact CD1-OE1 3.16Å; Y51-E56 PolarHBondContact O-N 3.11Å; Y51-R59 HydrophobicContact CD1-CB 4.22Å; Y51-R59 HydrophobicContact CD2-CB 3.74Å; Y51-R59 HydrophobicContact CE2-CB 4.04Å; Y51-R59 HydrophobicContact CG-CB 3.84Å; Y51-F63 HydrophobicContact CD2-CD2 4.31Å; Y51-F63 HydrophobicContact CD2-CE2 4.19Å; Y51-F63 HydrophobicContact CE2-CD2 4.06Å; Y51-F63 AromaticContact CE2-CE2 3.51Å; Y51-F63 HydrophobicContact CE2-CE2 3.51Å; Y51-F63 AromaticContact CE2-CZ 3.77Å; Y51-F63 HydrophobicContact CE2-CZ 3.77Å |
| 52 | V | 88.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.1 | -48.5 | 174.8 | 173.9 | 0 | 0 | 0 | 0 | 110.2 | F48 Q49 Q54 G55 I60 E84 A85 | F48-V52 HydrophobicContact CD1-CG2 4.34Å; F48-V52 HydrophobicContact CE1-CG2 4.02Å; F48-V52 HydrophobicContact CZ-CG2 4.12Å; F48-V52 WeakPolarHBondContact O-CG2 3.4Å; F48-V52 PolarHBondContact O-N 3.15Å; Q49-V52 PolarHBondContact O-N 3.1Å; V52-Q54 VanDerWaalsContact C-N 3.3Å; V52-Q54 PolarHBondContact O-N 3.39Å; V52-G55 PolarHBondContact O-N 2.74Å; V52-I60 HydrophobicContact CB-CD1 4.48Å; V52-I60 HydrophobicContact CG2-CD1 4.1Å; V52-I60 HydrophobicContact CG2-CG1 4.13Å; V52-E84 HydrophobicContact CG1-CB 4.03Å; V52-E84 HydrophobicContact CG1-CG 4.1Å; V52-A85 HydrophobicContact CG1-CB 3.88Å |
| 53 | R | 84.8 | Confident | 83.8 | Confident | 108 Ų | 108 | 54.5 Ų | 54.5 | 41% | 0.408 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.7 | -39.4 | 177.9 | -174.4 | 179.2 | -63.2 | 117.9 | 2.3 | 113 | Q49 D50 G55 E84 | Q49-R53 PolarHBondContact O-N 3.33Å; D50-R53 PolarHBondContact O-N 3.44Å; R53-G55 VanDerWaalsContact C-N 3.3Å; R53-E84 HydrophobicContact CB-CG 4.36Å; R53-E84 IonicContact CZ-OE1 3.27Å; R53-E84 VanDerWaalsContact CZ-OE1 3.27Å; R53-E84 IonicContact NE-OE1 2.82Å; R53-E84 PolarHBondContact NE-OE1 3.24Å; R53-E84 VanDerWaalsContact NH2-CD 3.28Å; R53-E84 IonicContact NH2-OE1 2.93Å; R53-E84 PolarHBondContact NH2-OE1 3.28Å; R53-E84 IonicContact NH2-OE2 3.07Å; R53-E84 PolarHBondContact NH2-OE2 3.22Å |
| 54 | Q | 86.5 | Confident | 84.6 | Confident | 112 Ų | 112 | 52.7 Ų | 52.7 | 52% | 0.523 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -79.6 | -10.8 | 177.8 | -69.5 | 178.4 | 47.7 | 0 | 0 | 113.6 | D50 Y51 V52 E56 | D50-Q54 WeakPolarHBondContact O-CB 3.17Å; D50-Q54 VanDerWaalsContact O-CG 3.32Å; D50-Q54 WeakPolarHBondContact O-CG 3.46Å; D50-Q54 PolarHBondContact O-N 2.9Å; D50-Q54 PolarHBondContact OD1-NE2 3.31Å; D50-Q54 PolarHBondContact OD2-NE2 3.48Å; Y51-Q54 PolarHBondContact O-N 3.41Å; V52-Q54 VanDerWaalsContact C-N 3.3Å; V52-Q54 PolarHBondContact O-N 3.39Å; Q54-E56 HydrophobicContact CB-CG 4.05Å; Q54-E56 PolarHBondContact OE1-OE1 2.67Å |
| 55 | G | 87.3 | Confident | 85.2 | Confident | 16 Ų | 16 | 60.6 Ų | 60.6 | 17% | 0.165 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 25.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y51 V52 R53 L57 C93 | Y51-G55 PolarHBondContact O-N 2.97Å; V52-G55 PolarHBondContact O-N 2.74Å; R53-G55 VanDerWaalsContact C-N 3.3Å; G55-L57 VanDerWaalsContact C-N 3.31Å; G55-L57 PolarHBondContact O-N 3.35Å; G55-C93 VanDerWaalsContact CA-SG 3.5Å |
| 56 | E | 88.9 | Confident | 85.8 | Confident | 49 Ų | 49 | 64.2 Ų | 64.2 | 23% | 0.229 | 30% | 0.302 | C | S | . | . | trans | -77 | 74.2 | -177.6 | -68.4 | -163 | -103 | 0 | 0 | 112.2 | Y51 Q54 D58 R59 I60 | Y51-E56 WeakPolarHBondContact CD1-OE1 3.16Å; Y51-E56 PolarHBondContact O-N 3.11Å; Q54-E56 HydrophobicContact CB-CG 4.05Å; Q54-E56 PolarHBondContact OE1-OE1 2.67Å; E56-D58 VanDerWaalsContact C-N 3.29Å; E56-D58 PolarHBondContact O-N 3.03Å; E56-D58 VanDerWaalsContact O-N 3.13Å; E56-R59 HydrophobicContact CB-CB 4.09Å; E56-R59 HydrophobicContact CB-CG 4.25Å; E56-R59 VanDerWaalsContact CD-NH1 3.29Å; E56-R59 PolarHBondContact O-N 2.98Å; E56-R59 IonicContact OE1-CZ 3.54Å; E56-R59 IonicContact OE1-NE 3.91Å; E56-R59 IonicContact OE1-NH1 2.73Å; E56-R59 PolarHBondContact OE1-NH1 3.46Å; E56-R59 WeakPolarHBondContact OE2-CD 3.3Å; E56-R59 IonicContact OE2-CZ 2.97Å; E56-R59 IonicContact OE2-NE 2.95Å; E56-R59 PolarHBondContact OE2-NE 2.88Å; E56-R59 IonicContact OE2-NH1 3.02Å; E56-R59 PolarHBondContact OE2-NH1 3.35Å; E56-R59 IonicContact OE2-NH2 3.72Å; E56-I60 WeakPolarHBondContact O-CG1 3.42Å; E56-I60 PolarHBondContact O-N 3.39Å | ||
| 57 | L | 89.8 | Confident | 85.8 | Confident | 68 Ų | 68 | 70.9 Ų | 70.9 | 36% | 0.356 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -48 | -44.1 | -174.5 | -62.1 | 176.6 | 0 | 0 | 0 | 114.2 | G55 R59 I60 G61 E92 C93 L96 | G55-L57 VanDerWaalsContact C-N 3.31Å; G55-L57 PolarHBondContact O-N 3.35Å; L57-R59 PolarHBondContact O-N 3.38Å; L57-I60 PolarHBondContact O-N 3.47Å; L57-G61 PolarHBondContact O-N 2.9Å; L57-E92 HydrophobicContact CD1-CB 4.04Å; L57-E92 HydrophobicContact CD2-CB 4.33Å; L57-C93 HydrophobicContact CD2-CB 4.25Å; L57-C93 WeakPolarHBondContact CD2-SG 3.44Å; L57-L96 HydrophobicContact CB-CD2 4.18Å; L57-L96 HydrophobicContact CD2-CB 4.34Å; L57-L96 HydrophobicContact CD2-CD2 3.85Å; L57-L96 WeakPolarHBondContact O-CD2 3.38Å |
| 58 | D | 89.3 | Confident | 85.3 | Confident | 151 Ų | 151 | 74.9 Ų | 74.9 | 81% | 0.807 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -64.4 | -40.9 | -179.5 | -71.4 | -29.2 | 0 | 0 | 0 | 112.2 | E56 L62 | E56-D58 VanDerWaalsContact C-N 3.29Å; E56-D58 PolarHBondContact O-N 3.03Å; E56-D58 VanDerWaalsContact O-N 3.13Å; D58-L62 VanDerWaalsContact O-CB 3.29Å; D58-L62 WeakPolarHBondContact O-CB 3.37Å; D58-L62 PolarHBondContact O-N 3.24Å |
| 59 | R | 87.9 | Confident | 84.8 | Confident | 113 Ų | 113 | 75.8 Ų | 75.8 | 43% | 0.426 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -71.6 | -42.3 | 178.9 | -65.2 | -163.7 | 178.5 | 158.6 | -0.9 | 111 | Y51 E56 L57 L62 F63 | Y51-R59 HydrophobicContact CD1-CB 4.22Å; Y51-R59 HydrophobicContact CD2-CB 3.74Å; Y51-R59 HydrophobicContact CE2-CB 4.04Å; Y51-R59 HydrophobicContact CG-CB 3.84Å; E56-R59 HydrophobicContact CB-CB 4.09Å; E56-R59 HydrophobicContact CB-CG 4.25Å; E56-R59 VanDerWaalsContact CD-NH1 3.29Å; E56-R59 PolarHBondContact O-N 2.98Å; E56-R59 IonicContact OE1-CZ 3.54Å; E56-R59 IonicContact OE1-NE 3.91Å; E56-R59 IonicContact OE1-NH1 2.73Å; E56-R59 PolarHBondContact OE1-NH1 3.46Å; E56-R59 WeakPolarHBondContact OE2-CD 3.3Å; E56-R59 IonicContact OE2-CZ 2.97Å; E56-R59 IonicContact OE2-NE 2.95Å; E56-R59 PolarHBondContact OE2-NE 2.88Å; E56-R59 IonicContact OE2-NH1 3.02Å; E56-R59 PolarHBondContact OE2-NH1 3.35Å; E56-R59 IonicContact OE2-NH2 3.72Å; L57-R59 PolarHBondContact O-N 3.38Å; R59-L62 PolarHBondContact O-N 3.09Å; R59-F63 WeakPolarHBondContact O-CD2 3.37Å; R59-F63 PolarHBondContact O-N 3.06Å |
| 60 | I | 87.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -56.4 | -54.1 | 174.3 | -64.4 | 166.3 | 0 | 0 | 0 | 109.4 | F48 V52 E56 L57 L62 F63 I64 L96 L97 | F48-I60 HydrophobicContact CE2-CB 4.25Å; F48-I60 HydrophobicContact CE2-CG2 3.75Å; F48-I60 HydrophobicContact CZ-CG2 4.02Å; V52-I60 HydrophobicContact CB-CD1 4.48Å; V52-I60 HydrophobicContact CG2-CD1 4.1Å; V52-I60 HydrophobicContact CG2-CG1 4.13Å; E56-I60 WeakPolarHBondContact O-CG1 3.42Å; E56-I60 PolarHBondContact O-N 3.39Å; L57-I60 PolarHBondContact O-N 3.47Å; I60-L62 VanDerWaalsContact C-N 3.29Å; I60-L62 PolarHBondContact O-N 3.36Å; I60-F63 PolarHBondContact O-N 3.15Å; I60-F63 VanDerWaalsContact O-N 3.15Å; I60-I64 HydrophobicContact CG2-CD1 3.77Å; I60-I64 WeakPolarHBondContact O-CG1 3.47Å; I60-I64 PolarHBondContact O-N 3.17Å; I60-I64 VanDerWaalsContact O-N 3.08Å; I60-L96 HydrophobicContact CB-CD2 3.93Å; I60-L96 HydrophobicContact CG2-CD2 3.68Å; I60-L96 HydrophobicContact CG2-CG 4.44Å; I60-L97 HydrophobicContact CG2-CD2 3.91Å |
| 61 | G | 87.1 | Confident | 84.3 | Confident | 16 Ų | 16 | 75.8 Ų | 75.8 | 17% | 0.165 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.3 | -38.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | L57 R65 | L57-G61 PolarHBondContact O-N 2.9Å; G61-R65 WeakPolarHBondContact O-CB 3.33Å; G61-R65 PolarHBondContact O-N 3.47Å |
| 62 | L | 86.8 | Confident | 83.5 | Confident | 85 Ų | 85 | 80.3 Ų | 80.3 | 45% | 0.445 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.2 | -41.8 | 176.4 | -175.4 | 64.5 | 0 | 0 | 0 | 112.7 | D58 R59 I60 K66 | D58-L62 VanDerWaalsContact O-CB 3.29Å; D58-L62 WeakPolarHBondContact O-CB 3.37Å; D58-L62 PolarHBondContact O-N 3.24Å; R59-L62 PolarHBondContact O-N 3.09Å; I60-L62 VanDerWaalsContact C-N 3.29Å; I60-L62 PolarHBondContact O-N 3.36Å; L62-K66 HydrophobicContact CD1-CD 4.1Å; L62-K66 HydrophobicContact CD1-CG 4.38Å; L62-K66 HydrophobicContact CG-CD 4.29Å; L62-K66 WeakPolarHBondContact O-CB 2.98Å; L62-K66 WeakPolarHBondContact O-CG 3.19Å; L62-K66 PolarHBondContact O-N 2.92Å |
| 63 | F | 84.5 | Confident | 82.7 | Confident | 24 Ų | 24 | 81.8 Ų | 81.8 | 11% | 0.105 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.8 | -46.1 | 179.7 | -95.9 | -116.8 | 0 | 0 | 0 | 111.8 | N44 V47 F48 Y51 R59 I60 K66 R67 R68 V69 | N44-F63 HydrophobicContact CB-CE1 4.2Å; V47-F63 HydrophobicContact CB-CE1 4.43Å; V47-F63 HydrophobicContact CB-CZ 4.49Å; V47-F63 HydrophobicContact CG1-CE1 4.31Å; V47-F63 HydrophobicContact CG1-CZ 3.91Å; F48-F63 HydrophobicContact CB-CD1 4.02Å; F48-F63 HydrophobicContact CB-CE1 4.49Å; F48-F63 HydrophobicContact CD2-CB 3.57Å; F48-F63 HydrophobicContact CD2-CD1 4.12Å; F48-F63 HydrophobicContact CD2-CG 4.05Å; F48-F63 HydrophobicContact CE2-CB 3.96Å; F48-F63 HydrophobicContact CG-CD1 4.49Å; Y51-F63 HydrophobicContact CD2-CD2 4.31Å; Y51-F63 HydrophobicContact CD2-CE2 4.19Å; Y51-F63 HydrophobicContact CE2-CD2 4.06Å; Y51-F63 AromaticContact CE2-CE2 3.51Å; Y51-F63 HydrophobicContact CE2-CE2 3.51Å; Y51-F63 AromaticContact CE2-CZ 3.77Å; Y51-F63 HydrophobicContact CE2-CZ 3.77Å; R59-F63 WeakPolarHBondContact O-CD2 3.37Å; R59-F63 PolarHBondContact O-N 3.06Å; I60-F63 PolarHBondContact O-N 3.15Å; I60-F63 VanDerWaalsContact O-N 3.15Å; F63-K66 PolarHBondContact O-N 2.96Å; F63-R67 PolarHBondContact O-N 2.94Å; F63-R68 HydrophobicContact CD1-CB 4.26Å; F63-R68 PolarHBondContact O-N 3.34Å; F63-R68 VanDerWaalsContact O-N 3.09Å; F63-V69 HydrophobicContact CD1-CG2 3.99Å |
| 64 | I | 86.3 | Confident | 82.1 | Confident | 22 Ų | 22 | 81.6 Ų | 81.6 | 11% | 0.113 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.6 | -48.8 | 176.5 | -63.2 | 168.5 | 0 | 0 | 0 | 110.3 | F48 I60 K66 R67 L71 L97 H100 | F48-I64 HydrophobicContact CE2-CD1 4.26Å; F48-I64 HydrophobicContact CE2-CG1 3.85Å; F48-I64 HydrophobicContact CZ-CD1 4.09Å; F48-I64 HydrophobicContact CZ-CG1 3.89Å; I60-I64 HydrophobicContact CG2-CD1 3.77Å; I60-I64 WeakPolarHBondContact O-CG1 3.47Å; I60-I64 PolarHBondContact O-N 3.17Å; I60-I64 VanDerWaalsContact O-N 3.08Å; I64-K66 VanDerWaalsContact C-N 3.27Å; I64-K66 PolarHBondContact O-N 3.25Å; I64-R67 WeakPolarHBondContact O-CA 3.39Å; I64-R67 PolarHBondContact O-N 3.21Å; I64-L71 HydrophobicContact CD1-CD2 3.89Å; I64-L71 HydrophobicContact CG1-CD2 3.96Å; I64-L97 HydrophobicContact CD1-CD2 3.93Å; I64-H100 HydrophobicContact CD1-CB 4.08Å; I64-H100 HydrophobicContact CG2-CB 3.69Å |
| 65 | R | 85.4 | Confident | 81.5 | Confident | 210 Ų | 210 | 77.9 Ų | 77.9 | 79% | 0.792 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -62.2 | -34.8 | -178.6 | -174.9 | 170.7 | -178.1 | 97.3 | 0.1 | 112.6 | G61 R67 | G61-R65 WeakPolarHBondContact O-CB 3.33Å; G61-R65 PolarHBondContact O-N 3.47Å; R65-R67 PolarHBondContact O-N 3.45Å |
| 66 | K | 85.6 | Confident | 80.8 | Confident | 127 Ų | 127 | 81.8 Ų | 81.8 | 55% | 0.552 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | 3.9 | 174.9 | -72 | -176 | 174.8 | 177.1 | 0 | 113.3 | L62 F63 I64 R68 | L62-K66 HydrophobicContact CD1-CD 4.1Å; L62-K66 HydrophobicContact CD1-CG 4.38Å; L62-K66 HydrophobicContact CG-CD 4.29Å; L62-K66 WeakPolarHBondContact O-CB 2.98Å; L62-K66 WeakPolarHBondContact O-CG 3.19Å; L62-K66 PolarHBondContact O-N 2.92Å; F63-K66 PolarHBondContact O-N 2.96Å; I64-K66 VanDerWaalsContact C-N 3.27Å; I64-K66 PolarHBondContact O-N 3.25Å; K66-R68 HydrophobicContact CB-CG 3.63Å; K66-R68 PolarHBondContact O-N 3.13Å |
| 67 | R | 75.6 | Confident | 80.1 | Confident | 230 Ų | 230 | 82.4 Ų | 82.4 | 87% | 0.868 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.3 | 41.1 | -177 | -64.3 | -177.3 | 176.5 | -112.4 | 0.8 | 112.3 | F63 I64 R65 V69 | F63-R67 PolarHBondContact O-N 2.94Å; I64-R67 WeakPolarHBondContact O-CA 3.39Å; I64-R67 PolarHBondContact O-N 3.21Å; R65-R67 PolarHBondContact O-N 3.45Å; R67-V69 VanDerWaalsContact C-N 3.34Å |
| 68 | R | 71.1 | Confident | 79.5 | Confident | 119 Ų | 119 | 79.5 Ų | 79.5 | 45% | 0.449 | 37% | 0.372 | S | S | . | . | trans | -85 | -12.9 | -177.7 | -59.9 | -171.8 | 81 | 156.1 | 6.8 | 113 | N44 F63 K66 | N44-R68 HydrophobicContact CB-CB 4.43Å; N44-R68 WeakPolarHBondContact CB-O 3.32Å; N44-R68 PolarHBondContact ND2-O 3.28Å; N44-R68 VanDerWaalsContact ND2-O 3.14Å; F63-R68 HydrophobicContact CD1-CB 4.26Å; F63-R68 PolarHBondContact O-N 3.34Å; F63-R68 VanDerWaalsContact O-N 3.09Å; K66-R68 HydrophobicContact CB-CG 3.63Å; K66-R68 PolarHBondContact O-N 3.13Å | ||
| 69 | V | 74 | Confident | 79.3 | Confident | 20 Ų | 20 | 73.2 Ų | 73.2 | 12% | 0.121 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -146.6 | 147.9 | -174.1 | 175.3 | 0 | 0 | 0 | 0 | 109.3 | N44 D45 F48 F63 R67 | N44-V69 HydrophobicContact CB-CG2 3.69Å; D45-V69 WeakPolarHBondContact OD1-CG1 3.48Å; F48-V69 HydrophobicContact CB-CG1 4.37Å; F48-V69 HydrophobicContact CB-CG2 3.81Å; F48-V69 HydrophobicContact CD1-CB 4.31Å; F48-V69 HydrophobicContact CD1-CG1 3.6Å; F48-V69 HydrophobicContact CD1-CG2 4.47Å; F48-V69 HydrophobicContact CE1-CG1 4.02Å; F48-V69 HydrophobicContact CG-CB 4.29Å; F48-V69 HydrophobicContact CG-CG1 4.03Å; F48-V69 HydrophobicContact CG-CG2 4.08Å; F63-V69 HydrophobicContact CD1-CG2 3.99Å; R67-V69 VanDerWaalsContact C-N 3.34Å |
| 70 | S | 76.4 | Confident | 79.3 | Confident | 59 Ų | 59 | 67.9 Ų | 67.9 | 41% | 0.413 | 32% | 0.319 | S | S | . | . | trans | -89.5 | 138.4 | 167.6 | -169.3 | 0 | 0 | 0 | 0 | 109.8 | E72 T73 | S70-E72 PolarHBondContact O-N 2.96Å; S70-E72 PolarHBondContact OG-N 3.16Å; S70-T73 WeakPolarHBondContact CB-OG1 3.35Å; S70-T73 VanDerWaalsContact O-CB 3.3Å; S70-T73 WeakPolarHBondContact O-CB 3.43Å; S70-T73 PolarHBondContact O-N 3.45Å; S70-T73 VanDerWaalsContact O-N 3.1Å; S70-T73 PolarHBondContact O-OG1 3Å | ||
| 71 | L | 78.3 | Confident | 79.3 | Confident | 23 Ų | 23 | 68 Ų | 68 | 12% | 0.12 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -19.6 | 175.7 | -65.4 | 178.1 | 0 | 0 | 0 | 112.5 | F48 I64 T73 L97 H100 A102 | F48-L71 HydrophobicContact CE1-CD2 4.3Å; F48-L71 HydrophobicContact CZ-CD2 4.03Å; I64-L71 HydrophobicContact CD1-CD2 3.89Å; I64-L71 HydrophobicContact CG1-CD2 3.96Å; L71-T73 VanDerWaalsContact C-N 3.28Å; L71-L97 HydrophobicContact CD2-CD2 3.82Å; L71-H100 HydrophobicContact CD1-CB 3.95Å; L71-H100 WeakPolarHBondContact CD1-O 3.46Å; L71-A102 HydrophobicContact CB-CB 4.26Å; L71-A102 HydrophobicContact CD1-CB 4.08Å |
| 72 | E | 72.1 | Confident | 79.6 | Confident | 134 Ų | 134 | 67.3 Ų | 67.3 | 63% | 0.626 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -0.7 | 172.2 | -60.3 | 172.7 | -172.9 | 0 | 0 | 112.4 | S70 I74 | S70-E72 PolarHBondContact O-N 2.96Å; S70-E72 PolarHBondContact OG-N 3.16Å; E72-I74 PolarHBondContact O-N 3.16Å |
| 73 | T | 70.9 | Confident | 79.8 | Confident | 31 Ų | 31 | 63.2 Ų | 63.2 | 19% | 0.19 | 29% | 0.29 | C | S | . | . | trans | -59.1 | 118.9 | 176.4 | -63.7 | 0 | 0 | 0 | 0 | 108.7 | D45 S70 L71 Y75 | D45-T73 HydrophobicContact CB-CG2 3.93Å; D45-T73 PolarHBondContact OD1-OG1 2.93Å; S70-T73 WeakPolarHBondContact CB-OG1 3.35Å; S70-T73 VanDerWaalsContact O-CB 3.3Å; S70-T73 WeakPolarHBondContact O-CB 3.43Å; S70-T73 PolarHBondContact O-N 3.45Å; S70-T73 VanDerWaalsContact O-N 3.1Å; S70-T73 PolarHBondContact O-OG1 3Å; L71-T73 VanDerWaalsContact C-N 3.28Å; T73-Y75 HydrophobicContact CG2-CE1 4.34Å | ||
| 74 | I | 72.9 | Confident | 80 | Confident | 104 Ų | 104 | 62.9 Ų | 62.9 | 53% | 0.533 | 29% | 0.289 | S | S | . | . | trans | -83.3 | 136.3 | 173.2 | 59.3 | 176 | 0 | 0 | 0 | 109.8 | E72 G78 M79 | E72-I74 PolarHBondContact O-N 3.16Å; I74-G78 WeakPolarHBondContact CG2-O 3.39Å; I74-M79 CarbonylContact C-O 3.57Å; I74-M79 WeakPolarHBondContact CA-O 3.49Å | ||
| 75 | Y | 74.1 | Confident | 80.3 | Confident | 35 Ų | 35 | 61.8 Ų | 61.8 | 14% | 0.137 | 28% | 0.284 | C | S | . | . | trans | -98.7 | -137.2 | 176.8 | -54.7 | -69.1 | 0 | 0 | 0 | 109.9 | D45 F48 Q49 T73 M79 A81 | D45-Y75 HydrophobicContact CB-CE1 4.25Å; D45-Y75 WeakPolarHBondContact O-CE1 3.43Å; F48-Y75 WeakPolarHBondContact CD1-OH 3.49Å; Q49-Y75 HydrophobicContact CB-CD1 4.23Å; Q49-Y75 HydrophobicContact CB-CE1 3.79Å; Q49-Y75 HydrophobicContact CG-CD1 4.28Å; Q49-Y75 HydrophobicContact CG-CD2 4.35Å; Q49-Y75 HydrophobicContact CG-CE1 4.2Å; Q49-Y75 HydrophobicContact CG-CE2 4.28Å; Q49-Y75 HydrophobicContact CG-CG 4.37Å; T73-Y75 HydrophobicContact CG2-CE1 4.34Å; Y75-M79 WeakPolarHBondContact CD2-O 3.41Å; Y75-M79 PolarHBondContact N-O 2.89Å; Y75-A81 HydrophobicContact CE2-CB 4.23Å | ||
| 76 | H | 72.1 | Confident | 80.7 | Confident | 97 Ų | 97 | 51.8 Ų | 51.8 | 45% | 0.449 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -72.5 | 141.6 | 169.2 | 49.9 | 78.6 | 0 | 0 | 0 | 110.2 | Q49 G78 M79 | Q49-H76 PolarHBondContact NE2-NE2 3.37Å; Q49-H76 VanDerWaalsContact NE2-NE2 3.13Å; H76-G78 VanDerWaalsContact C-N 3.31Å; H76-G78 PolarHBondContact O-N 3.16Å; H76-M79 WeakPolarHBondContact CE1-CE 3.06Å; H76-M79 WeakPolarHBondContact ND1-CE 3.42Å; H76-M79 PolarHBondContact O-N 3.37Å |
| 77 | S | 73.9 | Confident | 81 | Confident | 63 Ų | 63 | 48.8 Ų | 48.8 | 44% | 0.441 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | 62.7 | 31.3 | 176.4 | -48.6 | 0 | 0 | 0 | 0 | 114.4 | M79 E109 | S77-M79 PolarHBondContact O-N 2.65Å; S77-E109 VanDerWaalsContact CA-CD 3.43Å; S77-E109 WeakPolarHBondContact CA-OE1 3.3Å; S77-E109 WeakPolarHBondContact CA-OE2 3.39Å; S77-E109 WeakPolarHBondContact O-CB 3.47Å; S77-E109 PolarHBondContact O-N 3.12Å; S77-E109 VanDerWaalsContact O-N 3.09Å |
| 78 | G | 78.4 | Confident | 81.6 | Confident | 6 Ų | 6 | 40 Ų | 40 | 6% | 0.062 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | 69.1 | 1.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | I74 H76 A80 E109 | I74-G78 WeakPolarHBondContact CG2-O 3.39Å; H76-G78 VanDerWaalsContact C-N 3.31Å; H76-G78 PolarHBondContact O-N 3.16Å; G78-A80 PolarHBondContact O-N 3.32Å; G78-E109 PolarHBondContact N-OE1 3.21Å |
| 79 | M | 83.4 | Confident | 82.6 | Confident | 20 Ų | 20 | 35.9 Ų | 35.9 | 10% | 0.099 | 20% | 0.204 | C | C | . | . | trans | -69.2 | 130.4 | -176.3 | -72.3 | -169.6 | -71.1 | 0 | 0 | 111.9 | I74 Y75 H76 S77 H83 L87 D108 M117 | I74-M79 CarbonylContact C-O 3.57Å; I74-M79 WeakPolarHBondContact CA-O 3.49Å; Y75-M79 WeakPolarHBondContact CD2-O 3.41Å; Y75-M79 PolarHBondContact N-O 2.89Å; H76-M79 WeakPolarHBondContact CE1-CE 3.06Å; H76-M79 WeakPolarHBondContact ND1-CE 3.42Å; H76-M79 PolarHBondContact O-N 3.37Å; S77-M79 PolarHBondContact O-N 2.65Å; M79-H83 HydrophobicContact CB-CB 4.08Å; M79-H83 HydrophobicContact CG-CB 4.18Å; M79-H83 HydrophobicContact SD-CB 4.37Å; M79-L87 HydrophobicContact SD-CD1 3.91Å; M79-D108 HydrophobicContact CG-CB 4.05Å; M79-M117 HydrophobicContact CG-CE 4.03Å; M79-M117 HydrophobicContact SD-CE 3.72Å | ||
| 80 | A | 88.5 | Confident | 83.4 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | trans | -89.5 | 174.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G78 I82 H83 E84 Q106 | G78-A80 PolarHBondContact O-N 3.32Å; A80-I82 HydrophobicContact CB-CG2 4.37Å; A80-I82 PolarHBondContact O-N 3.32Å; A80-I82 VanDerWaalsContact O-N 3.16Å; A80-H83 PolarHBondContact N-ND1 2.86Å; A80-H83 VanDerWaalsContact N-ND1 3.17Å; A80-H83 WeakPolarHBondContact O-CB 3.43Å; A80-H83 PolarHBondContact O-N 2.94Å; A80-E84 PolarHBondContact O-N 3.22Å; A80-Q106 HydrophobicContact CB-CG 3.73Å | ||
| 81 | A | 88.8 | Confident | 84.3 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.1 | -32.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | F48 Y75 H83 A85 L97 | F48-A81 HydrophobicContact CE1-CB 3.76Å; Y75-A81 HydrophobicContact CE2-CB 4.23Å; A81-H83 VanDerWaalsContact C-N 3.35Å; A81-A85 PolarHBondContact O-N 3.47Å; A81-A85 VanDerWaalsContact O-N 3.09Å; A81-L97 HydrophobicContact CB-CD1 4.11Å; A81-L97 HydrophobicContact CB-CD2 4.41Å; A81-L97 VanDerWaalsContact O-CD1 3.31Å; A81-L97 WeakPolarHBondContact O-CD1 3.37Å |
| 82 | I | 92.1 | Very high | 85.1 | Confident | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.7 | -34.9 | 178.2 | -169.4 | 164 | 0 | 0 | 0 | 112.1 | A80 A85 V86 V98 A102 I104 Q106 P114 | A80-I82 HydrophobicContact CB-CG2 4.37Å; A80-I82 PolarHBondContact O-N 3.32Å; A80-I82 VanDerWaalsContact O-N 3.16Å; I82-A85 PolarHBondContact O-N 2.99Å; I82-V86 WeakPolarHBondContact O-CG2 3.36Å; I82-V86 PolarHBondContact O-N 3.39Å; I82-V98 HydrophobicContact CD1-CG2 3.79Å; I82-A102 HydrophobicContact CB-CB 4.4Å; I82-A102 HydrophobicContact CD1-CB 4.3Å; I82-I104 HydrophobicContact CD1-CG2 4.2Å; I82-Q106 HydrophobicContact CG2-CB 4.48Å; I82-P114 HydrophobicContact CB-CG 4.4Å; I82-P114 HydrophobicContact CD1-CB 4.41Å; I82-P114 HydrophobicContact CD1-CG 4.01Å; I82-P114 HydrophobicContact CG1-CB 4.2Å; I82-P114 HydrophobicContact CG1-CG 3.91Å; I82-P114 HydrophobicContact CG2-CG 3.71Å |
| 83 | H | 91.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.8 | -50.1 | 176.5 | -65.7 | 98.9 | 0 | 0 | 0 | 110.7 | M79 A80 A81 A85 V86 L87 Q106 W112 M117 | M79-H83 HydrophobicContact CB-CB 4.08Å; M79-H83 HydrophobicContact CG-CB 4.18Å; M79-H83 HydrophobicContact SD-CB 4.37Å; A80-H83 PolarHBondContact N-ND1 2.86Å; A80-H83 VanDerWaalsContact N-ND1 3.17Å; A80-H83 WeakPolarHBondContact O-CB 3.43Å; A80-H83 PolarHBondContact O-N 2.94Å; A81-H83 VanDerWaalsContact C-N 3.35Å; H83-A85 VanDerWaalsContact C-N 3.28Å; H83-A85 PolarHBondContact O-N 3.49Å; H83-V86 WeakPolarHBondContact O-CB 3.47Å; H83-V86 PolarHBondContact O-N 3.28Å; H83-L87 WeakPolarHBondContact O-CG 3.39Å; H83-L87 PolarHBondContact O-N 3.06Å; H83-Q106 PolarHBondContact CE1-O 2.93Å; H83-Q106 VanDerWaalsContact CE1-O 3.28Å; H83-Q106 PolarHBondContact NE2-O 2.88Å; H83-W112 PolarHBondContact NE2-O 3.26Å; H83-M117 HydrophobicContact CB-CE 3.86Å; H83-M117 HydrophobicContact CB-SD 3.58Å; H83-M117 VanDerWaalsContact CB-SD 3.58Å; H83-M117 VanDerWaalsContact CD2-SD 3.58Å |
| 84 | E | 89.6 | Confident | 87.4 | Confident | 16 Ų | 16 | 31.9 Ų | 31.9 | 8% | 0.075 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.6 | -37.9 | 177.1 | -169.9 | 87.3 | -146.9 | 0 | 0 | 112 | Q49 V52 R53 A80 V86 L87 S88 | Q49-E84 PolarHBondContact NE2-OE2 2.84Å; V52-E84 HydrophobicContact CG1-CB 4.03Å; V52-E84 HydrophobicContact CG1-CG 4.1Å; R53-E84 HydrophobicContact CB-CG 4.36Å; R53-E84 IonicContact CZ-OE1 3.27Å; R53-E84 VanDerWaalsContact CZ-OE1 3.27Å; R53-E84 IonicContact NE-OE1 2.82Å; R53-E84 PolarHBondContact NE-OE1 3.24Å; R53-E84 VanDerWaalsContact NH2-CD 3.28Å; R53-E84 IonicContact NH2-OE1 2.93Å; R53-E84 PolarHBondContact NH2-OE1 3.28Å; R53-E84 IonicContact NH2-OE2 3.07Å; R53-E84 PolarHBondContact NH2-OE2 3.22Å; A80-E84 PolarHBondContact O-N 3.22Å; E84-V86 VanDerWaalsContact C-N 3.31Å; E84-V86 PolarHBondContact O-N 2.98Å; E84-L87 PolarHBondContact O-N 3.04Å; E84-S88 WeakPolarHBondContact O-CB 3.33Å; E84-S88 PolarHBondContact O-N 3.41Å |
| 85 | A | 92.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.9 | -38.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V52 A81 I82 H83 S88 N90 C93 V94 L97 | V52-A85 HydrophobicContact CG1-CB 3.88Å; A81-A85 PolarHBondContact O-N 3.47Å; A81-A85 VanDerWaalsContact O-N 3.09Å; I82-A85 PolarHBondContact O-N 2.99Å; H83-A85 VanDerWaalsContact C-N 3.28Å; H83-A85 PolarHBondContact O-N 3.49Å; A85-S88 PolarHBondContact O-OG 2.84Å; A85-N90 PolarHBondContact O-N 3.49Å; A85-C93 HydrophobicContact CB-CB 4.06Å; A85-V94 HydrophobicContact CB-CG2 3.82Å; A85-L97 HydrophobicContact CB-CD1 3.6Å |
| 86 | V | 94.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.1 | -48.7 | 173.8 | 175.8 | 0 | 0 | 0 | 0 | 110.9 | I82 H83 E84 S88 G89 V94 P114 M117 A118 F123 I126 | I82-V86 WeakPolarHBondContact O-CG2 3.36Å; I82-V86 PolarHBondContact O-N 3.39Å; H83-V86 WeakPolarHBondContact O-CB 3.47Å; H83-V86 PolarHBondContact O-N 3.28Å; E84-V86 VanDerWaalsContact C-N 3.31Å; E84-V86 PolarHBondContact O-N 2.98Å; V86-S88 PolarHBondContact O-N 3.05Å; V86-G89 WeakPolarHBondContact O-CA 3.4Å; V86-G89 PolarHBondContact O-N 3.09Å; V86-V94 HydrophobicContact CG2-CG2 3.89Å; V86-P114 HydrophobicContact CG2-CB 4.03Å; V86-M117 HydrophobicContact CB-CB 4.48Å; V86-M117 HydrophobicContact CG1-CB 3.82Å; V86-A118 HydrophobicContact CG1-CB 3.86Å; V86-F123 HydrophobicContact CG1-CD2 4.32Å; V86-F123 WeakPolarHBondContact O-CD2 3.43Å; V86-F123 WeakPolarHBondContact O-CE2 3.31Å; V86-I126 HydrophobicContact CG1-CG2 4.22Å; V86-I126 HydrophobicContact CG2-CG2 3.91Å |
| 87 | L | 90.5 | Very high | 90.4 | Very high | 63 Ų | 63 | 25.4 Ų | 25.4 | 33% | 0.33 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -57.7 | -33.3 | 178.3 | -67.5 | 177.3 | 0 | 0 | 0 | 112.5 | M79 H83 E84 G89 M117 D121 | M79-L87 HydrophobicContact SD-CD1 3.91Å; H83-L87 WeakPolarHBondContact O-CG 3.39Å; H83-L87 PolarHBondContact O-N 3.06Å; E84-L87 PolarHBondContact O-N 3.04Å; L87-G89 PolarHBondContact O-N 3.47Å; L87-M117 HydrophobicContact CD1-SD 4.24Å; L87-M117 HydrophobicContact CD2-CB 4.46Å; L87-M117 HydrophobicContact CD2-CG 4.34Å; L87-M117 HydrophobicContact CD2-SD 3.88Å; L87-M117 HydrophobicContact CG-SD 3.84Å; L87-D121 WeakPolarHBondContact CD2-OD2 3.38Å |
| 88 | S | 89.1 | Confident | 91.4 | Very high | 46 Ų | 46 | 23.7 Ų | 23.7 | 32% | 0.322 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -8 | 174.7 | 75.3 | 0 | 0 | 0 | 0 | 114.3 | E84 A85 V86 N90 | E84-S88 WeakPolarHBondContact O-CB 3.33Å; E84-S88 PolarHBondContact O-N 3.41Å; A85-S88 PolarHBondContact O-OG 2.84Å; V86-S88 PolarHBondContact O-N 3.05Å; S88-N90 PolarHBondContact O-N 3.47Å; S88-N90 WeakPolarHBondContact OG-CB 3.47Å; S88-N90 PolarHBondContact OG-N 2.92Å |
| 89 | G | 90.8 | Very high | 92.1 | Very high | 33 Ų | 33 | 31.7 Ų | 31.7 | 34% | 0.34 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 13.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114 | V86 L87 L91 | V86-G89 WeakPolarHBondContact O-CA 3.4Å; V86-G89 PolarHBondContact O-N 3.09Å; L87-G89 PolarHBondContact O-N 3.47Å; G89-L91 PolarHBondContact O-N 3.26Å |
| 90 | N | 92.3 | Very high | 92.4 | Very high | 47 Ų | 47 | 34.4 Ų | 34.4 | 25% | 0.251 | 18% | 0.178 | S | C | . | . | trans | -95.7 | 91.5 | -172.7 | -168.2 | -29.4 | 0 | 0 | 0 | 111.9 | A85 S88 E92 C93 V94 | A85-N90 PolarHBondContact O-N 3.49Å; S88-N90 PolarHBondContact O-N 3.47Å; S88-N90 WeakPolarHBondContact OG-CB 3.47Å; S88-N90 PolarHBondContact OG-N 2.92Å; N90-E92 PolarHBondContact O-N 3.06Å; N90-E92 PolarHBondContact OD1-N 3.49Å; N90-E92 VanDerWaalsContact OD1-N 3.16Å; N90-C93 HydrophobicContact CB-CB 4.01Å; N90-C93 PolarHBondContact ND2-SG 3.32Å; N90-C93 VanDerWaalsContact ND2-SG 3.36Å; N90-C93 WeakPolarHBondContact O-CB 3.34Å; N90-C93 PolarHBondContact O-N 3.12Å; N90-C93 PolarHBondContact OD1-N 3.09Å; N90-C93 VanDerWaalsContact OD1-N 3.1Å; N90-V94 PolarHBondContact O-N 3.3Å; N90-V94 VanDerWaalsContact O-N 3.12Å | ||
| 91 | L | 95 | Very high | 92.4 | Very high | 39 Ų | 39 | 37.1 Ų | 37.1 | 20% | 0.204 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -54.8 | -37.3 | 178.5 | 176.5 | 62.1 | 0 | 0 | 0 | 113.4 | G89 C93 V94 K95 D125 I126 Y129 | G89-L91 PolarHBondContact O-N 3.26Å; L91-C93 VanDerWaalsContact C-N 3.33Å; L91-V94 PolarHBondContact O-N 3.3Å; L91-K95 HydrophobicContact CD1-CD 4.48Å; L91-K95 HydrophobicContact CD1-CG 4.32Å; L91-K95 HydrophobicContact CG-CD 4.21Å; L91-K95 WeakPolarHBondContact O-CG 3.08Å; L91-K95 PolarHBondContact O-N 3.49Å; L91-D125 HydrophobicContact CD2-CB 4.33Å; L91-I126 HydrophobicContact CB-CG1 4.16Å; L91-I126 HydrophobicContact CD1-CG1 4.21Å; L91-Y129 HydrophobicContact CD1-CD1 4Å; L91-Y129 HydrophobicContact CD1-CG 3.92Å |
| 92 | E | 95.4 | Very high | 92.5 | Very high | 97 Ų | 97 | 37.5 Ų | 37.5 | 45% | 0.453 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -70 | -32.7 | -179.7 | -63.7 | -55.1 | 128.3 | 0 | 0 | 111.9 | L57 N90 K95 L96 | L57-E92 HydrophobicContact CD1-CB 4.04Å; L57-E92 HydrophobicContact CD2-CB 4.33Å; N90-E92 PolarHBondContact O-N 3.06Å; N90-E92 PolarHBondContact OD1-N 3.49Å; N90-E92 VanDerWaalsContact OD1-N 3.16Å; E92-K95 IonicContact OE1-NZ 2.74Å; E92-K95 PolarHBondContact OE1-NZ 3.37Å; E92-L96 WeakPolarHBondContact O-CB 3.17Å; E92-L96 PolarHBondContact O-N 3.32Å |
| 93 | C | 94.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.5 | -46.1 | 170.6 | -73.8 | 0 | 0 | 0 | 0 | 111.5 | G55 L57 A85 N90 L91 K95 L96 L97 | G55-C93 VanDerWaalsContact CA-SG 3.5Å; L57-C93 HydrophobicContact CD2-CB 4.25Å; L57-C93 WeakPolarHBondContact CD2-SG 3.44Å; A85-C93 HydrophobicContact CB-CB 4.06Å; N90-C93 HydrophobicContact CB-CB 4.01Å; N90-C93 PolarHBondContact ND2-SG 3.32Å; N90-C93 VanDerWaalsContact ND2-SG 3.36Å; N90-C93 WeakPolarHBondContact O-CB 3.34Å; N90-C93 PolarHBondContact O-N 3.12Å; N90-C93 PolarHBondContact OD1-N 3.09Å; N90-C93 VanDerWaalsContact OD1-N 3.1Å; L91-C93 VanDerWaalsContact C-N 3.33Å; C93-K95 PolarHBondContact O-N 2.91Å; C93-L96 WeakPolarHBondContact O-CB 3.42Å; C93-L96 PolarHBondContact O-N 2.82Å; C93-L96 VanDerWaalsContact O-N 3.16Å; C93-L97 WeakPolarHBondContact O-CG 3.34Å; C93-L97 PolarHBondContact O-N 3.12Å |
| 94 | V | 95.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.9 | -50.5 | 176.5 | 177.6 | 0 | 0 | 0 | 0 | 110.2 | A85 V86 N90 L91 L96 L97 V98 I126 Y129 L130 | A85-V94 HydrophobicContact CB-CG2 3.82Å; V86-V94 HydrophobicContact CG2-CG2 3.89Å; N90-V94 PolarHBondContact O-N 3.3Å; N90-V94 VanDerWaalsContact O-N 3.12Å; L91-V94 PolarHBondContact O-N 3.3Å; V94-L96 VanDerWaalsContact C-N 3.31Å; V94-L96 PolarHBondContact O-N 3.48Å; V94-L97 PolarHBondContact O-N 3.09Å; V94-V98 HydrophobicContact CG1-CG2 4.39Å; V94-V98 WeakPolarHBondContact O-CG2 3.4Å; V94-V98 PolarHBondContact O-N 3.14Å; V94-I126 HydrophobicContact CG2-CD1 4.46Å; V94-I126 HydrophobicContact CG2-CG2 4.28Å; V94-Y129 HydrophobicContact CG1-CD1 4.08Å; V94-Y129 HydrophobicContact CG1-CE1 4.11Å; V94-L130 HydrophobicContact CG1-CD2 4.22Å |
| 95 | K | 95.9 | Very high | 92.8 | Very high | 67 Ų | 67 | 45.2 Ų | 45.2 | 29% | 0.291 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -57 | -42.5 | 176.1 | -73.8 | 171.2 | -177.1 | 165.6 | 0 | 112.5 | L91 E92 C93 K99 Y129 | L91-K95 HydrophobicContact CD1-CD 4.48Å; L91-K95 HydrophobicContact CD1-CG 4.32Å; L91-K95 HydrophobicContact CG-CD 4.21Å; L91-K95 WeakPolarHBondContact O-CG 3.08Å; L91-K95 PolarHBondContact O-N 3.49Å; E92-K95 IonicContact OE1-NZ 2.74Å; E92-K95 PolarHBondContact OE1-NZ 3.37Å; C93-K95 PolarHBondContact O-N 2.91Å; K95-K99 WeakPolarHBondContact O-CB 3.4Å; K95-K99 PolarHBondContact O-N 2.89Å; K95-Y129 HydrophobicContact CB-CE1 4.4Å; K95-Y129 HydrophobicContact CG-CD1 4.15Å; K95-Y129 HydrophobicContact CG-CD2 4.3Å; K95-Y129 HydrophobicContact CG-CE1 3.7Å; K95-Y129 HydrophobicContact CG-CE2 3.89Å; K95-Y129 HydrophobicContact CG-CG 4.42Å |
| 96 | L | 94.4 | Very high | 92.7 | Very high | 33 Ų | 33 | 47.3 Ų | 47.3 | 17% | 0.173 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63 | -47.2 | 179.1 | -178.8 | 66.4 | 0 | 0 | 0 | 111.1 | L57 I60 E92 C93 V94 K99 H100 | L57-L96 HydrophobicContact CB-CD2 4.18Å; L57-L96 HydrophobicContact CD2-CB 4.34Å; L57-L96 HydrophobicContact CD2-CD2 3.85Å; L57-L96 WeakPolarHBondContact O-CD2 3.38Å; I60-L96 HydrophobicContact CB-CD2 3.93Å; I60-L96 HydrophobicContact CG2-CD2 3.68Å; I60-L96 HydrophobicContact CG2-CG 4.44Å; E92-L96 WeakPolarHBondContact O-CB 3.17Å; E92-L96 PolarHBondContact O-N 3.32Å; C93-L96 WeakPolarHBondContact O-CB 3.42Å; C93-L96 PolarHBondContact O-N 2.82Å; C93-L96 VanDerWaalsContact O-N 3.16Å; V94-L96 VanDerWaalsContact C-N 3.31Å; V94-L96 PolarHBondContact O-N 3.48Å; L96-K99 PolarHBondContact O-N 3.05Å; L96-H100 PolarHBondContact O-CD2 3.36Å; L96-H100 PolarHBondContact O-N 3.04Å |
| 97 | L | 92.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.4 | -47 | 179.2 | -66.3 | 176.8 | 0 | 0 | 0 | 111.5 | F48 I60 I64 L71 A81 A85 C93 V94 K99 H100 G101 A102 | F48-L97 HydrophobicContact CZ-CD2 3.94Å; I60-L97 HydrophobicContact CG2-CD2 3.91Å; I64-L97 HydrophobicContact CD1-CD2 3.93Å; L71-L97 HydrophobicContact CD2-CD2 3.82Å; A81-L97 HydrophobicContact CB-CD1 4.11Å; A81-L97 HydrophobicContact CB-CD2 4.41Å; A81-L97 VanDerWaalsContact O-CD1 3.31Å; A81-L97 WeakPolarHBondContact O-CD1 3.37Å; A85-L97 HydrophobicContact CB-CD1 3.6Å; C93-L97 WeakPolarHBondContact O-CG 3.34Å; C93-L97 PolarHBondContact O-N 3.12Å; V94-L97 PolarHBondContact O-N 3.09Å; L97-K99 PolarHBondContact O-N 3.45Å; L97-H100 CarbonylContact O-C 3.5Å; L97-H100 WeakPolarHBondContact O-CA 3.29Å; L97-H100 PolarHBondContact O-N 2.75Å; L97-G101 PolarHBondContact O-N 3.21Å; L97-A102 HydrophobicContact CB-CB 3.92Å; L97-A102 WeakPolarHBondContact O-CB 3.34Å; L97-A102 PolarHBondContact O-N 3.42Å |
| 98 | V | 93.9 | Very high | 92.5 | Very high | 27 Ų | 27 | 51 Ų | 51 | 16% | 0.164 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.5 | -45.5 | 177.1 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | I82 V94 H100 G101 I104 Y129 I133 | I82-V98 HydrophobicContact CD1-CG2 3.79Å; V94-V98 HydrophobicContact CG1-CG2 4.39Å; V94-V98 WeakPolarHBondContact O-CG2 3.4Å; V94-V98 PolarHBondContact O-N 3.14Å; V98-H100 PolarHBondContact O-N 3.43Å; V98-H100 VanDerWaalsContact O-N 3.09Å; V98-G101 PolarHBondContact O-N 2.83Å; V98-I104 HydrophobicContact CG1-CG2 4.26Å; V98-I104 HydrophobicContact CG2-CG2 3.74Å; V98-Y129 HydrophobicContact CG2-CE1 4.34Å; V98-I133 HydrophobicContact CG1-CD1 3.74Å; V98-I133 HydrophobicContact CG2-CD1 4.15Å |
| 99 | K | 93.6 | Very high | 92.6 | Very high | 173 Ų | 173 | 54.5 Ų | 54.5 | 75% | 0.752 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -57.1 | -28.4 | 176.1 | 180 | -179.9 | 179.7 | -179.4 | 0 | 112.6 | K95 L96 L97 | K95-K99 WeakPolarHBondContact O-CB 3.4Å; K95-K99 PolarHBondContact O-N 2.89Å; L96-K99 PolarHBondContact O-N 3.05Å; L97-K99 PolarHBondContact O-N 3.45Å |
| 100 | H | 89.9 | Confident | 92.5 | Very high | 78 Ų | 78 | 58.5 Ų | 58.5 | 36% | 0.361 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 4.6 | 178.4 | -80.5 | -65.3 | 0 | 0 | 0 | 114.4 | I64 L71 L96 L97 V98 | I64-H100 HydrophobicContact CD1-CB 4.08Å; I64-H100 HydrophobicContact CG2-CB 3.69Å; L71-H100 HydrophobicContact CD1-CB 3.95Å; L71-H100 WeakPolarHBondContact CD1-O 3.46Å; L96-H100 PolarHBondContact O-CD2 3.36Å; L96-H100 PolarHBondContact O-N 3.04Å; L97-H100 CarbonylContact O-C 3.5Å; L97-H100 WeakPolarHBondContact O-CA 3.29Å; L97-H100 PolarHBondContact O-N 2.75Å; V98-H100 PolarHBondContact O-N 3.43Å; V98-H100 VanDerWaalsContact O-N 3.09Å |
| 101 | G | 89.4 | Confident | 92.5 | Very high | 58 Ų | 58 | 56.5 Ų | 56.5 | 60% | 0.598 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.1 | 22.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L97 V98 | L97-G101 PolarHBondContact O-N 3.21Å; V98-G101 PolarHBondContact O-N 2.83Å |
| 102 | A | 90.6 | Very high | 92.5 | Very high | 8 Ų | 8 | 56.9 Ų | 56.9 | 7% | 0.066 | 28% | 0.279 | C | S | . | . | trans | -62.9 | 137.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | L71 I82 L97 I104 | L71-A102 HydrophobicContact CB-CB 4.26Å; L71-A102 HydrophobicContact CD1-CB 4.08Å; I82-A102 HydrophobicContact CB-CB 4.4Å; I82-A102 HydrophobicContact CD1-CB 4.3Å; L97-A102 HydrophobicContact CB-CB 3.92Å; L97-A102 WeakPolarHBondContact O-CB 3.34Å; L97-A102 PolarHBondContact O-N 3.42Å; A102-I104 PolarHBondContact O-N 3.04Å | ||
| 103 | D | 91.3 | Very high | 92.5 | Very high | 70 Ų | 70 | 52.7 Ų | 52.7 | 37% | 0.374 | 26% | 0.259 | S | S | . | . | trans | -75.5 | 122.8 | 177 | -175.7 | 7.5 | 0 | 0 | 0 | 110.5 | H105 Q106 | D103-H105 VanDerWaalsContact C-N 3.28Å; D103-H105 IonicContact OD1-CD2 3.9Å; D103-H105 PolarHBondContact OD1-N 3.29Å; D103-Q106 HydrophobicContact CB-CB 4.21Å; D103-Q106 WeakPolarHBondContact O-CB 3.34Å; D103-Q106 PolarHBondContact O-N 3.42Å | ||
| 104 | I | 94.3 | Very high | 92.5 | Very high | 22 Ų | 22 | 52.7 Ų | 52.7 | 11% | 0.113 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -14.4 | 179.4 | 64.1 | 170.1 | 0 | 0 | 0 | 112.6 | I82 V98 A102 P114 I133 | I82-I104 HydrophobicContact CD1-CG2 4.2Å; V98-I104 HydrophobicContact CG1-CG2 4.26Å; V98-I104 HydrophobicContact CG2-CG2 3.74Å; A102-I104 PolarHBondContact O-N 3.04Å; I104-P114 WeakPolarHBondContact O-CD 3.44Å; I104-I133 HydrophobicContact CD1-CD1 4.29Å; I104-I133 HydrophobicContact CD1-CG1 3.99Å; I104-I133 HydrophobicContact CG2-CD1 3.62Å; I104-I133 HydrophobicContact CG2-CG1 4.46Å |
| 105 | H | 93.3 | Very high | 92.6 | Very high | 89 Ų | 89 | 52.7 Ų | 52.7 | 41% | 0.412 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 7.3 | 176.4 | -55.9 | -70.9 | 0 | 0 | 0 | 112.1 | D103 R107 G134 | D103-H105 VanDerWaalsContact C-N 3.28Å; D103-H105 IonicContact OD1-CD2 3.9Å; D103-H105 PolarHBondContact OD1-N 3.29Å; H105-R107 PolarHBondContact O-N 3.08Å; H105-G134 PolarHBondContact CE1-O 2.95Å; H105-G134 VanDerWaalsContact CE1-O 3.3Å |
| 106 | Q | 91.3 | Very high | 92.5 | Very high | 43 Ų | 43 | 49.5 Ų | 49.5 | 20% | 0.201 | 25% | 0.246 | C | C | . | . | trans | -53.4 | 129.8 | 176.2 | -177.2 | 62.3 | 61.1 | 0 | 0 | 109.2 | A80 I82 H83 D103 P114 | A80-Q106 HydrophobicContact CB-CG 3.73Å; I82-Q106 HydrophobicContact CG2-CB 4.48Å; H83-Q106 PolarHBondContact CE1-O 2.93Å; H83-Q106 VanDerWaalsContact CE1-O 3.28Å; H83-Q106 PolarHBondContact NE2-O 2.88Å; D103-Q106 HydrophobicContact CB-CB 4.21Å; D103-Q106 WeakPolarHBondContact O-CB 3.34Å; D103-Q106 PolarHBondContact O-N 3.42Å; Q106-P114 WeakPolarHBondContact O-CD 3.31Å | ||
| 107 | R | 91.2 | Very high | 92.5 | Very high | 124 Ų | 124 | 48.4 Ų | 48.4 | 47% | 0.468 | 24% | 0.24 | S | C | . | . | trans | -100.5 | 141.5 | 174.4 | -75.1 | -177.2 | 154.1 | 150.5 | -1 | 110.8 | H105 G111 W112 T113 E140 | H105-R107 PolarHBondContact O-N 3.08Å; R107-G111 PolarHBondContact NE-O 3.15Å; R107-W112 VanDerWaalsContact CA-O 3.3Å; R107-W112 WeakPolarHBondContact CA-O 3.3Å; R107-T113 HydrophobicContact CG-CG2 4.08Å; R107-E140 PolarHBondContact NH2-O 3.41Å | ||
| 108 | D | 88.9 | Confident | 92.6 | Very high | 16 Ų | 16 | 48.4 Ų | 48.4 | 9% | 0.086 | 24% | 0.24 | C | C | . | . | trans | -85.3 | -171.2 | 167.1 | 74.4 | 3.5 | 0 | 0 | 0 | 111.8 | M79 E110 G111 W112 M117 | M79-D108 HydrophobicContact CG-CB 4.05Å; D108-E110 PolarHBondContact O-N 3.3Å; D108-E110 PolarHBondContact OD1-N 3.36Å; D108-G111 PolarHBondContact O-N 3.1Å; D108-G111 VanDerWaalsContact O-N 3.13Å; D108-G111 PolarHBondContact OD1-N 3.06Å; D108-G111 VanDerWaalsContact OD1-N 3.15Å; D108-W112 PolarHBondContact N-O 2.98Å; D108-W112 WeakPolarHBondContact OD1-CB 3.37Å; D108-W112 PolarHBondContact OD1-N 3.24Å; D108-M117 WeakPolarHBondContact OD2-CE 3.4Å | ||
| 109 | E | 89.8 | Confident | 92.6 | Very high | 120 Ų | 120 | 47.1 Ų | 47.1 | 56% | 0.561 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -18.5 | -179.3 | -83.5 | 169.6 | -148 | 0 | 0 | 114.1 | S77 G78 | S77-E109 VanDerWaalsContact CA-CD 3.43Å; S77-E109 WeakPolarHBondContact CA-OE1 3.3Å; S77-E109 WeakPolarHBondContact CA-OE2 3.39Å; S77-E109 WeakPolarHBondContact O-CB 3.47Å; S77-E109 PolarHBondContact O-N 3.12Å; S77-E109 VanDerWaalsContact O-N 3.09Å; G78-E109 PolarHBondContact N-OE1 3.21Å |
| 110 | E | 89.6 | Confident | 92.6 | Very high | 118 Ų | 118 | 40.4 Ų | 40.4 | 55% | 0.551 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | 7.5 | 176.4 | -62.3 | -175.2 | 104.4 | 0 | 0 | 111.2 | D108 W112 E142 | D108-E110 PolarHBondContact O-N 3.3Å; D108-E110 PolarHBondContact OD1-N 3.36Å; E110-W112 PolarHBondContact O-N 3.45Å; E110-E142 WeakPolarHBondContact O-CB 3.47Å; E110-E142 WeakPolarHBondContact O-CG 3.49Å; E110-E142 PolarHBondContact O-N 3.09Å |
| 111 | G | 91.9 | Very high | 92.6 | Very high | 5 Ų | 5 | 40 Ų | 40 | 5% | 0.052 | 21% | 0.207 | C | C | . | . | trans | 75.4 | 9.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | R107 D108 | R107-G111 PolarHBondContact NE-O 3.15Å; D108-G111 PolarHBondContact O-N 3.1Å; D108-G111 VanDerWaalsContact O-N 3.13Å; D108-G111 PolarHBondContact OD1-N 3.06Å; D108-G111 VanDerWaalsContact OD1-N 3.15Å | ||
| 112 | W | 94.6 | Very high | 92.7 | Very high | 47 Ų | 47 | 37.9 Ų | 37.9 | 18% | 0.178 | 19% | 0.186 | C | C | . | . | trans | -71.6 | 138.6 | 179.2 | -73.7 | 42 | 0 | 0 | 0 | 109.9 | H83 R107 D108 E110 H116 M117 N141 L150 | H83-W112 PolarHBondContact NE2-O 3.26Å; R107-W112 VanDerWaalsContact CA-O 3.3Å; R107-W112 WeakPolarHBondContact CA-O 3.3Å; D108-W112 PolarHBondContact N-O 2.98Å; D108-W112 WeakPolarHBondContact OD1-CB 3.37Å; D108-W112 PolarHBondContact OD1-N 3.24Å; E110-W112 PolarHBondContact O-N 3.45Å; W112-H116 HydrophobicContact CB-CB 4.04Å; W112-H116 HydrophobicContact CD2-CB 4Å; W112-H116 HydrophobicContact CE3-CB 3.87Å; W112-H116 HydrophobicContact CG-CB 4.09Å; W112-M117 HydrophobicContact CE3-CG 3.75Å; W112-M117 HydrophobicContact CZ3-CG 4.29Å; W112-N141 PolarHBondContact NE1-ND2 2.96Å; W112-N141 VanDerWaalsContact NE1-ND2 3.18Å; W112-L150 HydrophobicContact CD2-CD1 4.2Å; W112-L150 HydrophobicContact CE3-CD1 4.37Å; W112-L150 HydrophobicContact CH2-CD1 3.85Å; W112-L150 HydrophobicContact CZ2-CD1 3.66Å; W112-L150 HydrophobicContact CZ2-CD2 4.21Å; W112-L150 HydrophobicContact CZ3-CD1 4.21Å | ||
| 113 | T | 95.6 | Very high | 92.9 | Very high | 8 Ų | 8 | 40.1 Ų | 40.1 | 5% | 0.049 | 19% | 0.194 | C | C | . | . | trans | -98.6 | 166.9 | 171.4 | 70.4 | 0 | 0 | 0 | 0 | 109.7 | R107 L115 H116 M117 A139 | R107-T113 HydrophobicContact CG-CG2 4.08Å; T113-L115 PolarHBondContact O-N 3.13Å; T113-L115 PolarHBondContact OG1-N 2.9Å; T113-H116 PolarHBondContact N-ND1 2.87Å; T113-H116 WeakPolarHBondContact O-CB 3.18Å; T113-H116 PolarHBondContact O-N 3.44Å; T113-H116 PolarHBondContact OG1-N 3.04Å; T113-H116 PolarHBondContact OG1-ND1 3.09Å; T113-M117 PolarHBondContact O-N 3.48Å; T113-A139 HydrophobicContact CG2-CB 4.26Å | ||
| 114 | P | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -53 | -29.3 | 171.7 | -29.5 | 37.4 | 0 | 0 | 0 | 113.7 | I82 V86 I104 Q106 A118 L130 | I82-P114 HydrophobicContact CB-CG 4.4Å; I82-P114 HydrophobicContact CD1-CB 4.41Å; I82-P114 HydrophobicContact CD1-CG 4.01Å; I82-P114 HydrophobicContact CG1-CB 4.2Å; I82-P114 HydrophobicContact CG1-CG 3.91Å; I82-P114 HydrophobicContact CG2-CG 3.71Å; V86-P114 HydrophobicContact CG2-CB 4.03Å; I104-P114 WeakPolarHBondContact O-CD 3.44Å; Q106-P114 WeakPolarHBondContact O-CD 3.31Å; P114-A118 WeakPolarHBondContact O-CB 3.49Å; P114-A118 PolarHBondContact O-N 3.15Å; P114-A118 VanDerWaalsContact O-N 3.09Å; P114-L130 HydrophobicContact CB-CD1 3.86Å; P114-L130 HydrophobicContact CB-CD2 4.31Å |
| 115 | L | 96.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -72.6 | -38.9 | 176.9 | -173.8 | 60.8 | 0 | 0 | 0 | 112.2 | T113 M117 A118 C119 A127 L130 L131 A135 P147 L165 | T113-L115 PolarHBondContact O-N 3.13Å; T113-L115 PolarHBondContact OG1-N 2.9Å; L115-M117 VanDerWaalsContact C-N 3.34Å; L115-M117 PolarHBondContact O-N 3.13Å; L115-A118 PolarHBondContact O-N 3.24Å; L115-C119 PolarHBondContact O-N 2.92Å; L115-C119 PolarHBondContact O-SG 2.89Å; L115-C119 VanDerWaalsContact O-SG 3.35Å; L115-A127 HydrophobicContact CD1-CB 3.88Å; L115-L130 HydrophobicContact CB-CD1 4.34Å; L115-L130 HydrophobicContact CD1-CB 4.34Å; L115-L130 HydrophobicContact CD1-CD1 4.46Å; L115-L131 HydrophobicContact CD1-CG 4.24Å; L115-L131 HydrophobicContact CD2-CD2 3.8Å; L115-L131 HydrophobicContact CD2-CG 4.38Å; L115-A135 HydrophobicContact CB-CB 4.5Å; L115-A135 HydrophobicContact CD2-CB 4.15Å; L115-P147 HydrophobicContact CB-CG 4.31Å; L115-P147 HydrophobicContact CD2-CB 4.3Å; L115-P147 HydrophobicContact CD2-CG 3.99Å; L115-P147 HydrophobicContact CG-CB 3.91Å; L115-P147 HydrophobicContact CG-CG 3.92Å; L115-L165 HydrophobicContact CD2-CD2 4.37Å |
| 116 | H | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.2 | -48.6 | 173.4 | -69.7 | 87.2 | 0 | 0 | 0 | 110.9 | W112 T113 A118 C119 S120 A139 E145 L150 | W112-H116 HydrophobicContact CB-CB 4.04Å; W112-H116 HydrophobicContact CD2-CB 4Å; W112-H116 HydrophobicContact CE3-CB 3.87Å; W112-H116 HydrophobicContact CG-CB 4.09Å; T113-H116 PolarHBondContact N-ND1 2.87Å; T113-H116 WeakPolarHBondContact O-CB 3.18Å; T113-H116 PolarHBondContact O-N 3.44Å; T113-H116 PolarHBondContact OG1-N 3.04Å; T113-H116 PolarHBondContact OG1-ND1 3.09Å; H116-A118 PolarHBondContact O-N 2.93Å; H116-C119 PolarHBondContact O-N 2.84Å; H116-S120 WeakPolarHBondContact O-CB 3.47Å; H116-S120 PolarHBondContact O-N 3.39Å; H116-A139 PolarHBondContact CE1-O 3.36Å; H116-A139 PolarHBondContact NE2-O 3.06Å; H116-E145 PolarHBondContact NE2-O 3.35Å; H116-L150 HydrophobicContact CB-CD1 3.91Å |
| 117 | M | 94 | Very high | 93.5 | Very high | 9 Ų | 9 | 35.5 Ų | 35.5 | 4% | 0.044 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.2 | -43.2 | 177.7 | -70.5 | -173.9 | 179.7 | 0 | 0 | 112.4 | M79 H83 V86 L87 D108 W112 T113 L115 C119 S120 D121 | M79-M117 HydrophobicContact CG-CE 4.03Å; M79-M117 HydrophobicContact SD-CE 3.72Å; H83-M117 HydrophobicContact CB-CE 3.86Å; H83-M117 HydrophobicContact CB-SD 3.58Å; H83-M117 VanDerWaalsContact CB-SD 3.58Å; H83-M117 VanDerWaalsContact CD2-SD 3.58Å; V86-M117 HydrophobicContact CB-CB 4.48Å; V86-M117 HydrophobicContact CG1-CB 3.82Å; L87-M117 HydrophobicContact CD1-SD 4.24Å; L87-M117 HydrophobicContact CD2-CB 4.46Å; L87-M117 HydrophobicContact CD2-CG 4.34Å; L87-M117 HydrophobicContact CD2-SD 3.88Å; L87-M117 HydrophobicContact CG-SD 3.84Å; D108-M117 WeakPolarHBondContact OD2-CE 3.4Å; W112-M117 HydrophobicContact CE3-CG 3.75Å; W112-M117 HydrophobicContact CZ3-CG 4.29Å; T113-M117 PolarHBondContact O-N 3.48Å; L115-M117 VanDerWaalsContact C-N 3.34Å; L115-M117 PolarHBondContact O-N 3.13Å; M117-C119 PolarHBondContact O-N 3.18Å; M117-S120 PolarHBondContact O-N 3.03Å; M117-D121 WeakPolarHBondContact O-CB 3.32Å; M117-D121 PolarHBondContact O-N 3.32Å |
| 118 | A | 94.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.4 | -34.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V86 P114 L115 H116 G122 F123 I126 A127 L130 | V86-A118 HydrophobicContact CG1-CB 3.86Å; P114-A118 WeakPolarHBondContact O-CB 3.49Å; P114-A118 PolarHBondContact O-N 3.15Å; P114-A118 VanDerWaalsContact O-N 3.09Å; L115-A118 PolarHBondContact O-N 3.24Å; H116-A118 PolarHBondContact O-N 2.93Å; A118-G122 PolarHBondContact O-N 3.1Å; A118-F123 PolarHBondContact O-N 3.31Å; A118-I126 HydrophobicContact CB-CB 4.29Å; A118-I126 HydrophobicContact CB-CG2 4.02Å; A118-A127 HydrophobicContact CB-CB 4.09Å; A118-L130 HydrophobicContact CB-CD1 4.33Å |
| 119 | C | 93.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -75.7 | -45.6 | 176.5 | -69.9 | 0 | 0 | 0 | 0 | 112.4 | L115 H116 M117 D121 G122 P147 I151 | L115-C119 PolarHBondContact O-N 2.92Å; L115-C119 PolarHBondContact O-SG 2.89Å; L115-C119 VanDerWaalsContact O-SG 3.35Å; H116-C119 PolarHBondContact O-N 2.84Å; M117-C119 PolarHBondContact O-N 3.18Å; C119-D121 PolarHBondContact O-N 3.47Å; C119-G122 PolarHBondContact O-N 3.04Å; C119-P147 HydrophobicContact CB-CB 4.23Å; C119-P147 WeakPolarHBondContact CB-O 3.21Å; C119-I151 HydrophobicContact CB-CG1 3.91Å |
| 120 | S | 92.9 | Very high | 94.4 | Very high | 33 Ų | 33 | 30.5 Ų | 30.5 | 23% | 0.231 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.8 | -45.4 | 176.4 | 176.6 | 0 | 0 | 0 | 0 | 112.3 | H116 M117 G122 L150 | H116-S120 WeakPolarHBondContact O-CB 3.47Å; H116-S120 PolarHBondContact O-N 3.39Å; M117-S120 PolarHBondContact O-N 3.03Å; S120-G122 VanDerWaalsContact C-N 3.32Å; S120-G122 PolarHBondContact O-N 3.38Å; S120-L150 WeakPolarHBondContact CA-O 3.38Å |
| 121 | D | 91.1 | Very high | 94.7 | Very high | 68 Ų | 68 | 26.8 Ų | 26.8 | 36% | 0.364 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -2.2 | -176.6 | -71.6 | 4.2 | 0 | 0 | 0 | 113.4 | L87 M117 C119 F123 | L87-D121 WeakPolarHBondContact CD2-OD2 3.38Å; M117-D121 WeakPolarHBondContact O-CB 3.32Å; M117-D121 PolarHBondContact O-N 3.32Å; C119-D121 PolarHBondContact O-N 3.47Å; D121-F123 HydrophobicContact CB-CD2 3.7Å; D121-F123 HydrophobicContact CB-CE2 3.38Å; D121-F123 HydrophobicContact CB-CG 4.5Å; D121-F123 HydrophobicContact CB-CZ 3.97Å |
| 122 | G | 92.1 | Very high | 94.9 | Very high | 14 Ų | 14 | 30.8 Ų | 30.8 | 14% | 0.144 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 39.4 | 175 | 0 | 0 | 0 | 0 | 0 | 114.7 | A118 C119 S120 P124 | A118-G122 PolarHBondContact O-N 3.1Å; C119-G122 PolarHBondContact O-N 3.04Å; S120-G122 VanDerWaalsContact C-N 3.32Å; S120-G122 PolarHBondContact O-N 3.38Å; G122-P124 VanDerWaalsContact C-CD 3.44Å; G122-P124 WeakPolarHBondContact O-CD 3.36Å |
| 123 | F | 94.6 | Very high | 94.9 | Very high | 56 Ų | 56 | 31.5 Ų | 31.5 | 25% | 0.246 | 17% | 0.171 | C | C | . | . | trans | -102.8 | 77.7 | 179.2 | -60.2 | -45.4 | 0 | 0 | 0 | 112.8 | V86 A118 D121 D125 I126 A127 | V86-F123 HydrophobicContact CG1-CD2 4.32Å; V86-F123 WeakPolarHBondContact O-CD2 3.43Å; V86-F123 WeakPolarHBondContact O-CE2 3.31Å; A118-F123 PolarHBondContact O-N 3.31Å; D121-F123 HydrophobicContact CB-CD2 3.7Å; D121-F123 HydrophobicContact CB-CE2 3.38Å; D121-F123 HydrophobicContact CB-CG 4.5Å; D121-F123 HydrophobicContact CB-CZ 3.97Å; F123-D125 VanDerWaalsContact C-N 3.32Å; F123-D125 PolarHBondContact O-N 3.17Å; F123-I126 HydrophobicContact CB-CB 4Å; F123-I126 HydrophobicContact CB-CD1 3.94Å; F123-I126 HydrophobicContact CB-CG1 4.08Å; F123-I126 HydrophobicContact CD2-CD1 4.14Å; F123-I126 HydrophobicContact CG-CD1 4.1Å; F123-I126 PolarHBondContact O-N 3.16Å; F123-I126 VanDerWaalsContact O-N 3.13Å; F123-A127 PolarHBondContact O-N 3.47Å | ||
| 124 | P | 94.1 | Very high | 94.8 | Very high | 19 Ų | 19 | 33.4 Ų | 33.4 | 12% | 0.123 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.3 | -37.4 | -176.4 | 24.6 | -34.8 | 0 | 0 | 0 | 113.4 | G122 I126 A127 K128 E160 L161 | G122-P124 VanDerWaalsContact C-CD 3.44Å; G122-P124 WeakPolarHBondContact O-CD 3.36Å; P124-I126 VanDerWaalsContact C-N 3.3Å; P124-I126 PolarHBondContact O-N 3Å; P124-A127 PolarHBondContact O-N 3.05Å; P124-K128 WeakPolarHBondContact O-CB 3.33Å; P124-K128 PolarHBondContact O-N 3.31Å; P124-E160 HydrophobicContact CB-CB 4.03Å; P124-E160 HydrophobicContact CB-CG 3.81Å; P124-L161 HydrophobicContact CB-CD2 4.19Å; P124-L161 HydrophobicContact CB-CG 4.16Å |
| 125 | D | 95.8 | Very high | 94.8 | Very high | 104 Ų | 104 | 33.8 Ų | 33.8 | 56% | 0.556 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -62.8 | -37.7 | 178.5 | -71.8 | -42.3 | 0 | 0 | 0 | 112.4 | L91 F123 Y129 | L91-D125 HydrophobicContact CD2-CB 4.33Å; F123-D125 VanDerWaalsContact C-N 3.32Å; F123-D125 PolarHBondContact O-N 3.17Å; D125-Y129 PolarHBondContact O-N 3.36Å; D125-Y129 VanDerWaalsContact O-N 3.15Å |
| 126 | I | 96.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.015 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -74.1 | -47.7 | 177.5 | -61 | -178.9 | 0 | 0 | 0 | 109.8 | V86 L91 V94 A118 F123 P124 K128 Y129 L130 | V86-I126 HydrophobicContact CG1-CG2 4.22Å; V86-I126 HydrophobicContact CG2-CG2 3.91Å; L91-I126 HydrophobicContact CB-CG1 4.16Å; L91-I126 HydrophobicContact CD1-CG1 4.21Å; V94-I126 HydrophobicContact CG2-CD1 4.46Å; V94-I126 HydrophobicContact CG2-CG2 4.28Å; A118-I126 HydrophobicContact CB-CB 4.29Å; A118-I126 HydrophobicContact CB-CG2 4.02Å; F123-I126 HydrophobicContact CB-CB 4Å; F123-I126 HydrophobicContact CB-CD1 3.94Å; F123-I126 HydrophobicContact CB-CG1 4.08Å; F123-I126 HydrophobicContact CD2-CD1 4.14Å; F123-I126 HydrophobicContact CG-CD1 4.1Å; F123-I126 PolarHBondContact O-N 3.16Å; F123-I126 VanDerWaalsContact O-N 3.13Å; P124-I126 VanDerWaalsContact C-N 3.3Å; P124-I126 PolarHBondContact O-N 3Å; I126-K128 VanDerWaalsContact C-N 3.31Å; I126-K128 PolarHBondContact O-N 2.95Å; I126-Y129 WeakPolarHBondContact O-CB 3.44Å; I126-Y129 PolarHBondContact O-N 2.9Å; I126-Y129 VanDerWaalsContact O-N 3.1Å; I126-L130 HydrophobicContact CG2-CD1 3.96Å; I126-L130 HydrophobicContact CG2-CG 4.28Å; I126-L130 WeakPolarHBondContact O-CG 3.39Å; I126-L130 PolarHBondContact O-N 3.21Å |
| 127 | A | 95.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.4 | -46.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L115 A118 F123 P124 Y129 L130 L131 L161 | L115-A127 HydrophobicContact CD1-CB 3.88Å; A118-A127 HydrophobicContact CB-CB 4.09Å; F123-A127 PolarHBondContact O-N 3.47Å; P124-A127 PolarHBondContact O-N 3.05Å; A127-Y129 VanDerWaalsContact C-N 3.34Å; A127-Y129 PolarHBondContact O-N 3.09Å; A127-L130 PolarHBondContact O-N 3.09Å; A127-L131 WeakPolarHBondContact O-CB 3.39Å; A127-L131 VanDerWaalsContact O-CG 3.3Å; A127-L131 WeakPolarHBondContact O-CG 3.07Å; A127-L131 PolarHBondContact O-N 3.28Å; A127-L161 HydrophobicContact CB-CD2 3.44Å; A127-L161 VanDerWaalsContact CB-CD2 3.44Å |
| 128 | K | 95.5 | Very high | 94.6 | Very high | 107 Ų | 107 | 44.6 Ų | 44.6 | 47% | 0.465 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.3 | -44.1 | 175 | -174.7 | 175.4 | -172.5 | 168.9 | 0 | 112.5 | P124 I126 S132 L164 | P124-K128 WeakPolarHBondContact O-CB 3.33Å; P124-K128 PolarHBondContact O-N 3.31Å; I126-K128 VanDerWaalsContact C-N 3.31Å; I126-K128 PolarHBondContact O-N 2.95Å; K128-S132 WeakPolarHBondContact O-CB 3.42Å; K128-S132 PolarHBondContact O-N 3.01Å; K128-L164 HydrophobicContact CB-CD1 3.8Å; K128-L164 HydrophobicContact CB-CD2 4.14Å; K128-L164 HydrophobicContact CD-CD2 4.38Å; K128-L164 HydrophobicContact CG-CD1 4.48Å; K128-L164 HydrophobicContact CG-CD2 3.97Å |
| 129 | Y | 97.1 | Very high | 94.5 | Very high | 48 Ų | 48 | 45.1 Ų | 45.1 | 19% | 0.188 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.2 | -48.1 | 176.5 | 174.7 | -111.5 | 0 | 0 | 0 | 111.5 | L91 V94 K95 V98 D125 I126 A127 L131 S132 I133 | L91-Y129 HydrophobicContact CD1-CD1 4Å; L91-Y129 HydrophobicContact CD1-CG 3.92Å; V94-Y129 HydrophobicContact CG1-CD1 4.08Å; V94-Y129 HydrophobicContact CG1-CE1 4.11Å; K95-Y129 HydrophobicContact CB-CE1 4.4Å; K95-Y129 HydrophobicContact CG-CD1 4.15Å; K95-Y129 HydrophobicContact CG-CD2 4.3Å; K95-Y129 HydrophobicContact CG-CE1 3.7Å; K95-Y129 HydrophobicContact CG-CE2 3.89Å; K95-Y129 HydrophobicContact CG-CG 4.42Å; V98-Y129 HydrophobicContact CG2-CE1 4.34Å; D125-Y129 PolarHBondContact O-N 3.36Å; D125-Y129 VanDerWaalsContact O-N 3.15Å; I126-Y129 WeakPolarHBondContact O-CB 3.44Å; I126-Y129 PolarHBondContact O-N 2.9Å; I126-Y129 VanDerWaalsContact O-N 3.1Å; A127-Y129 VanDerWaalsContact C-N 3.34Å; A127-Y129 PolarHBondContact O-N 3.09Å; Y129-L131 PolarHBondContact O-N 3.19Å; Y129-S132 WeakPolarHBondContact O-CB 3.45Å; Y129-S132 PolarHBondContact O-N 3.41Å; Y129-S132 VanDerWaalsContact O-N 3.13Å; Y129-S132 PolarHBondContact O-OG 3.28Å; Y129-I133 HydrophobicContact CD1-CD1 4.41Å; Y129-I133 HydrophobicContact CD2-CG2 4.47Å; Y129-I133 HydrophobicContact CE1-CD1 3.89Å; Y129-I133 HydrophobicContact CE2-CG2 3.9Å; Y129-I133 WeakPolarHBondContact O-CG1 3.47Å; Y129-I133 PolarHBondContact O-N 3.36Å |
| 130 | L | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59 | -44.8 | 178.3 | -69 | 173.6 | 0 | 0 | 0 | 111.8 | V94 P114 L115 A118 I126 A127 S132 I133 G134 A135 | V94-L130 HydrophobicContact CG1-CD2 4.22Å; P114-L130 HydrophobicContact CB-CD1 3.86Å; P114-L130 HydrophobicContact CB-CD2 4.31Å; L115-L130 HydrophobicContact CB-CD1 4.34Å; L115-L130 HydrophobicContact CD1-CB 4.34Å; L115-L130 HydrophobicContact CD1-CD1 4.46Å; A118-L130 HydrophobicContact CB-CD1 4.33Å; I126-L130 HydrophobicContact CG2-CD1 3.96Å; I126-L130 HydrophobicContact CG2-CG 4.28Å; I126-L130 WeakPolarHBondContact O-CG 3.39Å; I126-L130 PolarHBondContact O-N 3.21Å; A127-L130 PolarHBondContact O-N 3.09Å; L130-S132 VanDerWaalsContact C-N 3.33Å; L130-S132 PolarHBondContact O-N 2.94Å; L130-I133 HydrophobicContact CD2-CD1 4.35Å; L130-I133 WeakPolarHBondContact O-CG1 3.08Å; L130-I133 PolarHBondContact O-N 3.04Å; L130-G134 PolarHBondContact O-N 2.97Å; L130-A135 VanDerWaalsContact C-CB 3.48Å; L130-A135 HydrophobicContact CB-CB 3.88Å; L130-A135 WeakPolarHBondContact O-CB 3.16Å; L130-A135 PolarHBondContact O-N 3.45Å |
| 131 | L | 95.3 | Very high | 94.5 | Very high | 39 Ų | 39 | 49.4 Ų | 49.4 | 20% | 0.204 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.6 | -40.1 | 174.8 | -69.7 | 167.6 | 0 | 0 | 0 | 111.9 | L115 A127 Y129 I133 G134 P137 L164 L165 | L115-L131 HydrophobicContact CD1-CG 4.24Å; L115-L131 HydrophobicContact CD2-CD2 3.8Å; L115-L131 HydrophobicContact CD2-CG 4.38Å; A127-L131 WeakPolarHBondContact O-CB 3.39Å; A127-L131 VanDerWaalsContact O-CG 3.3Å; A127-L131 WeakPolarHBondContact O-CG 3.07Å; A127-L131 PolarHBondContact O-N 3.28Å; Y129-L131 PolarHBondContact O-N 3.19Å; L131-I133 PolarHBondContact O-N 2.98Å; L131-G134 PolarHBondContact O-N 2.98Å; L131-P137 HydrophobicContact CD2-CB 3.91Å; L131-P137 HydrophobicContact CD2-CG 4.3Å; L131-L164 HydrophobicContact CD1-CB 3.86Å; L131-L165 HydrophobicContact CD1-CD2 4.03Å; L131-L165 HydrophobicContact CD2-CD2 4.17Å |
| 132 | S | 96 | Very high | 94.6 | Very high | 89 Ų | 89 | 53.4 Ų | 53.4 | 62% | 0.622 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63.7 | -23.1 | 179.6 | 79.1 | 0 | 0 | 0 | 0 | 114 | K128 Y129 L130 | K128-S132 WeakPolarHBondContact O-CB 3.42Å; K128-S132 PolarHBondContact O-N 3.01Å; Y129-S132 WeakPolarHBondContact O-CB 3.45Å; Y129-S132 PolarHBondContact O-N 3.41Å; Y129-S132 VanDerWaalsContact O-N 3.13Å; Y129-S132 PolarHBondContact O-OG 3.28Å; L130-S132 VanDerWaalsContact C-N 3.33Å; L130-S132 PolarHBondContact O-N 2.94Å |
| 133 | I | 95.6 | Very high | 94.6 | Very high | 62 Ų | 62 | 57.5 Ų | 57.5 | 32% | 0.318 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 7.5 | 178 | 63.6 | 178 | 0 | 0 | 0 | 112.9 | V98 I104 Y129 L130 L131 | V98-I133 HydrophobicContact CG1-CD1 3.74Å; V98-I133 HydrophobicContact CG2-CD1 4.15Å; I104-I133 HydrophobicContact CD1-CD1 4.29Å; I104-I133 HydrophobicContact CD1-CG1 3.99Å; I104-I133 HydrophobicContact CG2-CD1 3.62Å; I104-I133 HydrophobicContact CG2-CG1 4.46Å; Y129-I133 HydrophobicContact CD1-CD1 4.41Å; Y129-I133 HydrophobicContact CD2-CG2 4.47Å; Y129-I133 HydrophobicContact CE1-CD1 3.89Å; Y129-I133 HydrophobicContact CE2-CG2 3.9Å; Y129-I133 WeakPolarHBondContact O-CG1 3.47Å; Y129-I133 PolarHBondContact O-N 3.36Å; L130-I133 HydrophobicContact CD2-CD1 4.35Å; L130-I133 WeakPolarHBondContact O-CG1 3.08Å; L130-I133 PolarHBondContact O-N 3.04Å; L131-I133 PolarHBondContact O-N 2.98Å |
| 134 | G | 94.1 | Very high | 94.6 | Very high | 48 Ų | 48 | 56.8 Ų | 56.8 | 50% | 0.495 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.1 | 20.6 | 172 | 0 | 0 | 0 | 0 | 0 | 115.7 | H105 L130 L131 | H105-G134 PolarHBondContact CE1-O 2.95Å; H105-G134 VanDerWaalsContact CE1-O 3.3Å; L130-G134 PolarHBondContact O-N 2.97Å; L131-G134 PolarHBondContact O-N 2.98Å |
| 135 | A | 95 | Very high | 94.5 | Very high | 8 Ų | 8 | 59.3 Ų | 59.3 | 7% | 0.066 | 33% | 0.333 | C | S | . | . | trans | -58.6 | 142.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | L115 L130 P137 | L115-A135 HydrophobicContact CB-CB 4.5Å; L115-A135 HydrophobicContact CD2-CB 4.15Å; L130-A135 VanDerWaalsContact C-CB 3.48Å; L130-A135 HydrophobicContact CB-CB 3.88Å; L130-A135 WeakPolarHBondContact O-CB 3.16Å; L130-A135 PolarHBondContact O-N 3.45Å; A135-P137 VanDerWaalsContact O-CD 3.28Å; A135-P137 WeakPolarHBondContact O-CD 3.13Å | ||
| 136 | D | 93.3 | Very high | 94.5 | Very high | 77 Ų | 77 | 55.1 Ų | 55.1 | 41% | 0.412 | 31% | 0.312 | S | S | . | . | trans | -84 | 112.3 | -177.8 | -176.8 | 2.5 | 0 | 0 | 0 | 110.4 | Q138 A139 | D136-Q138 PolarHBondContact O-N 3.02Å; D136-Q138 PolarHBondContact OD1-N 3Å; D136-A139 HydrophobicContact CB-CB 4.17Å; D136-A139 PolarHBondContact O-N 2.94Å | ||
| 137 | P | 92.9 | Very high | 94.3 | Very high | 41 Ų | 41 | 55 Ų | 55 | 27% | 0.266 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -12.4 | 177.6 | 29.7 | -34.6 | 0 | 0 | 0 | 113.6 | L131 A135 P147 L165 | L131-P137 HydrophobicContact CD2-CB 3.91Å; L131-P137 HydrophobicContact CD2-CG 4.3Å; A135-P137 VanDerWaalsContact O-CD 3.28Å; A135-P137 WeakPolarHBondContact O-CD 3.13Å; P137-P147 WeakPolarHBondContact O-CD 3.49Å; P137-L165 HydrophobicContact CB-CD2 3.59Å |
| 138 | Q | 94.1 | Very high | 94.2 | Very high | 119 Ų | 119 | 56 Ų | 56 | 56% | 0.556 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | 11.3 | -178.3 | -59.9 | -61.8 | -43 | 0 | 0 | 112.1 | D136 E140 | D136-Q138 PolarHBondContact O-N 3.02Å; D136-Q138 PolarHBondContact OD1-N 3Å; Q138-E140 PolarHBondContact O-N 2.95Å |
| 139 | A | 93.3 | Very high | 94 | Very high | 11 Ų | 11 | 56 Ų | 56 | 9% | 0.091 | 32% | 0.324 | C | S | . | . | trans | -63.4 | 127.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | T113 H116 D136 P147 | T113-A139 HydrophobicContact CG2-CB 4.26Å; H116-A139 PolarHBondContact CE1-O 3.36Å; H116-A139 PolarHBondContact NE2-O 3.06Å; D136-A139 HydrophobicContact CB-CB 4.17Å; D136-A139 PolarHBondContact O-N 2.94Å; A139-P147 VanDerWaalsContact O-CD 3.27Å; A139-P147 WeakPolarHBondContact O-CD 3.44Å | ||
| 140 | E | 94.1 | Very high | 93.7 | Very high | 114 Ų | 114 | 54.9 Ų | 54.9 | 53% | 0.533 | 32% | 0.321 | S | S | . | . | trans | -92.7 | 139.9 | 177.2 | -66.8 | 172.4 | -174.8 | 0 | 0 | 110.9 | R107 Q138 E145 T146 | R107-E140 PolarHBondContact NH2-O 3.41Å; Q138-E140 PolarHBondContact O-N 2.95Å; E140-E145 WeakPolarHBondContact CA-O 3.32Å; E140-T146 HydrophobicContact CG-CG2 4.35Å | ||
| 141 | N | 92.7 | Very high | 93.4 | Very high | 10 Ų | 10 | 55.8 Ų | 55.8 | 5% | 0.053 | 33% | 0.326 | C | S | . | . | trans | -78 | -175.9 | 167.4 | 74.2 | 2.9 | 0 | 0 | 0 | 111.3 | W112 C143 G144 E145 | W112-N141 PolarHBondContact NE1-ND2 2.96Å; W112-N141 VanDerWaalsContact NE1-ND2 3.18Å; N141-C143 PolarHBondContact O-N 3.35Å; N141-C143 WeakPolarHBondContact OD1-CA 3.17Å; N141-C143 VanDerWaalsContact OD1-CB 3.31Å; N141-C143 WeakPolarHBondContact OD1-CB 3.27Å; N141-C143 PolarHBondContact OD1-N 2.78Å; N141-G144 PolarHBondContact O-N 3.14Å; N141-G144 PolarHBondContact OD1-N 3.01Å; N141-G144 VanDerWaalsContact OD1-N 3.09Å; N141-E145 PolarHBondContact N-O 3.13Å; N141-E145 PolarHBondContact ND2-OE2 3.39Å; N141-E145 WeakPolarHBondContact OD1-CB 3.43Å; N141-E145 PolarHBondContact OD1-N 2.91Å; N141-E145 PolarHBondContact OD1-O 2.93Å | ||
| 142 | E | 93.3 | Very high | 93 | Very high | 151 Ų | 151 | 57.3 Ų | 57.3 | 71% | 0.706 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -20.6 | 178.5 | -71 | -168.6 | 171.8 | 0 | 0 | 114.1 | E110 G144 | E110-E142 WeakPolarHBondContact O-CB 3.47Å; E110-E142 WeakPolarHBondContact O-CG 3.49Å; E110-E142 PolarHBondContact O-N 3.09Å; E142-G144 VanDerWaalsContact C-N 3.32Å |
| 143 | C | 92.6 | Very high | 92.4 | Very high | 100 Ų | 100 | 58.2 Ų | 58.2 | 68% | 0.676 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -5.5 | 174.1 | -64.2 | 0 | 0 | 0 | 0 | 113.2 | N141 E145 | N141-C143 PolarHBondContact O-N 3.35Å; N141-C143 WeakPolarHBondContact OD1-CA 3.17Å; N141-C143 VanDerWaalsContact OD1-CB 3.31Å; N141-C143 WeakPolarHBondContact OD1-CB 3.27Å; N141-C143 PolarHBondContact OD1-N 2.78Å; C143-E145 VanDerWaalsContact C-N 3.33Å; C143-E145 HydrophobicContact CB-CG 3.95Å; C143-E145 WeakPolarHBondContact CB-OE2 3.32Å |
| 144 | G | 93.1 | Very high | 91.9 | Very high | 42 Ų | 42 | 63.7 Ų | 63.7 | 43% | 0.433 | 36% | 0.362 | S | S | . | . | S | Bend | trans | 77.8 | 17.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | N141 E142 | N141-G144 PolarHBondContact O-N 3.14Å; N141-G144 PolarHBondContact OD1-N 3.01Å; N141-G144 VanDerWaalsContact OD1-N 3.09Å; E142-G144 VanDerWaalsContact C-N 3.32Å |
| 145 | E | 92.8 | Very high | 91.4 | Very high | 72 Ų | 72 | 62.2 Ų | 62.2 | 34% | 0.336 | 34% | 0.344 | S | S | . | . | trans | -90.9 | 136.3 | 178.6 | -57.2 | 165.8 | 126.3 | 0 | 0 | 109.4 | H116 E140 N141 C143 D149 L150 | H116-E145 PolarHBondContact NE2-O 3.35Å; E140-E145 WeakPolarHBondContact CA-O 3.32Å; N141-E145 PolarHBondContact N-O 3.13Å; N141-E145 PolarHBondContact ND2-OE2 3.39Å; N141-E145 WeakPolarHBondContact OD1-CB 3.43Å; N141-E145 PolarHBondContact OD1-N 2.91Å; N141-E145 PolarHBondContact OD1-O 2.93Å; C143-E145 VanDerWaalsContact C-N 3.33Å; C143-E145 HydrophobicContact CB-CG 3.95Å; C143-E145 WeakPolarHBondContact CB-OE2 3.32Å; E145-D149 HydrophobicContact CB-CB 4.26Å; E145-L150 HydrophobicContact CB-CD2 4.06Å; E145-L150 HydrophobicContact CB-CG 4.26Å; E145-L150 HydrophobicContact CG-CD2 4.42Å | ||
| 146 | T | 95 | Very high | 90.7 | Very high | 16 Ų | 16 | 69.4 Ų | 69.4 | 10% | 0.098 | 39% | 0.387 | C | S | . | . | trans | -85.7 | 164.9 | 171.4 | 68.9 | 0 | 0 | 0 | 0 | 110.5 | E140 A148 D149 L150 | E140-T146 HydrophobicContact CG-CG2 4.35Å; T146-A148 PolarHBondContact O-N 3.41Å; T146-A148 VanDerWaalsContact O-N 3.11Å; T146-A148 PolarHBondContact OG1-N 2.9Å; T146-D149 WeakPolarHBondContact CB-OD2 3.45Å; T146-D149 PolarHBondContact N-OD2 3.41Å; T146-D149 PolarHBondContact O-N 3.47Å; T146-D149 VanDerWaalsContact OG1-CG 3.29Å; T146-D149 PolarHBondContact OG1-N 2.93Å; T146-D149 PolarHBondContact OG1-OD2 2.82Å; T146-L150 PolarHBondContact O-N 3.07Å | ||
| 147 | P | 93 | Very high | 90.2 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -31 | 173.3 | -26.2 | 33.1 | 0 | 0 | 0 | 113.3 | L115 C119 P137 A139 L150 L165 | L115-P147 HydrophobicContact CB-CG 4.31Å; L115-P147 HydrophobicContact CD2-CB 4.3Å; L115-P147 HydrophobicContact CD2-CG 3.99Å; L115-P147 HydrophobicContact CG-CB 3.91Å; L115-P147 HydrophobicContact CG-CG 3.92Å; C119-P147 HydrophobicContact CB-CB 4.23Å; C119-P147 WeakPolarHBondContact CB-O 3.21Å; P137-P147 WeakPolarHBondContact O-CD 3.49Å; A139-P147 VanDerWaalsContact O-CD 3.27Å; A139-P147 WeakPolarHBondContact O-CD 3.44Å; P147-L150 PolarHBondContact O-N 3.2Å; P147-L165 HydrophobicContact CB-CD1 4.38Å |
| 148 | A | 92.3 | Very high | 89.9 | Confident | 22 Ų | 22 | 65.6 Ų | 65.6 | 18% | 0.182 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -37.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T146 L150 I151 L165 V167 | T146-A148 PolarHBondContact O-N 3.41Å; T146-A148 VanDerWaalsContact O-N 3.11Å; T146-A148 PolarHBondContact OG1-N 2.9Å; A148-L150 PolarHBondContact O-N 3.5Å; A148-I151 WeakPolarHBondContact O-CG1 3.19Å; A148-I151 PolarHBondContact O-N 3.28Å; A148-L165 VanDerWaalsContact CA-CD1 3.48Å; A148-L165 HydrophobicContact CB-CB 4.31Å; A148-L165 HydrophobicContact CB-CD1 3.65Å; A148-V167 HydrophobicContact CB-CG2 3.75Å |
| 149 | D | 91.2 | Very high | 89.6 | Confident | 107 Ų | 107 | 70.2 Ų | 70.2 | 57% | 0.572 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -26.6 | -179.9 | -59.5 | -49.9 | 0 | 0 | 0 | 112 | E145 T146 | E145-D149 HydrophobicContact CB-CB 4.26Å; T146-D149 WeakPolarHBondContact CB-OD2 3.45Å; T146-D149 PolarHBondContact N-OD2 3.41Å; T146-D149 PolarHBondContact O-N 3.47Å; T146-D149 VanDerWaalsContact OG1-CG 3.29Å; T146-D149 PolarHBondContact OG1-N 2.93Å; T146-D149 PolarHBondContact OG1-OD2 2.82Å |
| 150 | L | 91.1 | Very high | 89.5 | Confident | 25 Ų | 25 | 73.8 Ų | 73.8 | 13% | 0.131 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -2.5 | -179.5 | -62.9 | -179.1 | 0 | 0 | 0 | 114.2 | W112 H116 S120 E145 T146 P147 A148 D152 | W112-L150 HydrophobicContact CD2-CD1 4.2Å; W112-L150 HydrophobicContact CE3-CD1 4.37Å; W112-L150 HydrophobicContact CH2-CD1 3.85Å; W112-L150 HydrophobicContact CZ2-CD1 3.66Å; W112-L150 HydrophobicContact CZ2-CD2 4.21Å; W112-L150 HydrophobicContact CZ3-CD1 4.21Å; H116-L150 HydrophobicContact CB-CD1 3.91Å; S120-L150 WeakPolarHBondContact CA-O 3.38Å; E145-L150 HydrophobicContact CB-CD2 4.06Å; E145-L150 HydrophobicContact CB-CG 4.26Å; E145-L150 HydrophobicContact CG-CD2 4.42Å; T146-L150 PolarHBondContact O-N 3.07Å; P147-L150 PolarHBondContact O-N 3.2Å; A148-L150 PolarHBondContact O-N 3.5Å; L150-D152 PolarHBondContact O-N 2.98Å; L150-D152 VanDerWaalsContact O-N 3.12Å |
| 151 | I | 91.4 | Very high | 89.3 | Confident | 18 Ų | 18 | 68.3 Ų | 68.3 | 9% | 0.092 | 37% | 0.37 | C | S | . | . | trans | -63.4 | 118.2 | -179.2 | -63.2 | 169.6 | 0 | 0 | 0 | 109.5 | C119 A148 P153 V158 L161 Q162 L165 | C119-I151 HydrophobicContact CB-CG1 3.91Å; A148-I151 WeakPolarHBondContact O-CG1 3.19Å; A148-I151 PolarHBondContact O-N 3.28Å; I151-P153 WeakPolarHBondContact O-CD 3.31Å; I151-V158 HydrophobicContact CG2-CB 4.32Å; I151-V158 HydrophobicContact CG2-CG2 3.82Å; I151-L161 HydrophobicContact CD1-CB 3.71Å; I151-L161 HydrophobicContact CG1-CB 4.23Å; I151-L161 HydrophobicContact CG2-CB 4.41Å; I151-L161 HydrophobicContact CG2-CD1 4.22Å; I151-Q162 HydrophobicContact CD1-CG 4.1Å; I151-L165 HydrophobicContact CD1-CD1 3.9Å | ||
| 152 | D | 86.6 | Confident | 89.2 | Confident | 72 Ų | 72 | 71.4 Ų | 71.4 | 39% | 0.385 | 38% | 0.384 | S | S | . | . | trans | -63.2 | 120.7 | 173 | -178 | -8.7 | 0 | 0 | 0 | 109.7 | L150 E154 C155 | L150-D152 PolarHBondContact O-N 2.98Å; L150-D152 VanDerWaalsContact O-N 3.12Å; D152-E154 PolarHBondContact O-N 3.4Å; D152-E154 VanDerWaalsContact O-N 3.14Å; D152-E154 PolarHBondContact OD1-N 3.41Å; D152-C155 HydrophobicContact CB-CB 4.24Å; D152-C155 PolarHBondContact O-N 3.2Å; D152-C155 VanDerWaalsContact O-N 3.09Å; D152-C155 PolarHBondContact O-SG 2.73Å | ||
| 153 | P | 83.9 | Confident | 88.9 | Confident | 107 Ų | 107 | 67.1 Ų | 67.1 | 70% | 0.695 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -20 | 179.4 | 26.2 | -36.2 | 0 | 0 | 0 | 113.6 | I151 | I151-P153 WeakPolarHBondContact O-CD 3.31Š|
| 154 | E | 84.4 | Confident | 88.7 | Confident | 177 Ų | 177 | 65 Ų | 65 | 83% | 0.827 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -3 | 179.4 | -59.3 | -166.9 | 170.3 | 0 | 0 | 113.2 | D152 | D152-E154 PolarHBondContact O-N 3.4Å; D152-E154 VanDerWaalsContact O-N 3.14Å; D152-E154 PolarHBondContact OD1-N 3.41Å |
| 155 | C | 83 | Confident | 88.4 | Confident | 17 Ų | 17 | 63.8 Ų | 63.8 | 12% | 0.115 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -71.5 | 142.2 | -178.3 | 78.8 | 0 | 0 | 0 | 0 | 112.5 | D152 G157 V158 | D152-C155 HydrophobicContact CB-CB 4.24Å; D152-C155 PolarHBondContact O-N 3.2Å; D152-C155 VanDerWaalsContact O-N 3.09Å; D152-C155 PolarHBondContact O-SG 2.73Å; C155-G157 PolarHBondContact O-N 2.81Å; C155-V158 PolarHBondContact O-N 3Å; C155-V158 VanDerWaalsContact O-N 3.15Å; C155-V158 PolarHBondContact SG-N 3.35Å; C155-V158 VanDerWaalsContact SG-N 3.36Å |
| 156 | T | 80.6 | Confident | 87.6 | Confident | 159 Ų | 159 | 63 Ų | 63 | 98% | 0.975 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -23.2 | -177.9 | -34.7 | 0 | 0 | 0 | 0 | 113.3 | ||
| 157 | G | 82.9 | Confident | 86.3 | Confident | 9 Ų | 9 | 65.7 Ų | 65.7 | 9% | 0.093 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 7.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | C155 R159 E160 L161 | C155-G157 PolarHBondContact O-N 2.81Å; G157-R159 VanDerWaalsContact C-N 3.31Å; G157-R159 PolarHBondContact O-N 2.87Å; G157-R159 VanDerWaalsContact O-N 3.17Å; G157-E160 PolarHBondContact O-N 3.43Å; G157-L161 PolarHBondContact O-N 2.77Å |
| 158 | V | 87.3 | Confident | 84.3 | Confident | 29 Ų | 29 | 73.3 Ų | 73.3 | 18% | 0.176 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -50.2 | -46.5 | -170.5 | 61.6 | 0 | 0 | 0 | 0 | 113.4 | I151 C155 E160 L161 Q162 | I151-V158 HydrophobicContact CG2-CB 4.32Å; I151-V158 HydrophobicContact CG2-CG2 3.82Å; C155-V158 PolarHBondContact O-N 3Å; C155-V158 VanDerWaalsContact O-N 3.15Å; C155-V158 PolarHBondContact SG-N 3.35Å; C155-V158 VanDerWaalsContact SG-N 3.36Å; V158-E160 VanDerWaalsContact C-N 3.33Å; V158-E160 PolarHBondContact O-N 2.88Å; V158-L161 PolarHBondContact O-N 2.83Å; V158-Q162 HydrophobicContact CG2-CG 4.4Å; V158-Q162 WeakPolarHBondContact O-CB 3.46Å; V158-Q162 VanDerWaalsContact O-CG 3.3Å; V158-Q162 WeakPolarHBondContact O-CG 3.34Å; V158-Q162 PolarHBondContact O-N 2.98Å |
| 159 | R | 87.1 | Confident | 82.4 | Confident | 217 Ų | 217 | 79.3 Ų | 79.3 | 82% | 0.819 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -67 | -34.6 | -178.7 | -59 | -178.8 | 76.7 | 159.4 | 5.6 | 112.6 | G157 G163 | G157-R159 VanDerWaalsContact C-N 3.31Å; G157-R159 PolarHBondContact O-N 2.87Å; G157-R159 VanDerWaalsContact O-N 3.17Å; R159-G163 PolarHBondContact O-N 3.35Å; R159-G163 VanDerWaalsContact O-N 3.15Å |
| 160 | E | 90.4 | Very high | 80.4 | Confident | 85 Ų | 85 | 82.1 Ų | 82.1 | 40% | 0.397 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -73.3 | -44 | 177.3 | -176.1 | 167.8 | -168 | 0 | 0 | 110.2 | P124 G157 V158 G163 L164 | P124-E160 HydrophobicContact CB-CB 4.03Å; P124-E160 HydrophobicContact CB-CG 3.81Å; G157-E160 PolarHBondContact O-N 3.43Å; V158-E160 VanDerWaalsContact C-N 3.33Å; V158-E160 PolarHBondContact O-N 2.88Å; E160-G163 PolarHBondContact O-N 3.5Å; E160-L164 HydrophobicContact CG-CD1 4.04Å; E160-L164 HydrophobicContact CG-CG 4.36Å; E160-L164 WeakPolarHBondContact O-CB 3.3Å; E160-L164 WeakPolarHBondContact O-CG 3.46Å; E160-L164 PolarHBondContact O-N 3.15Å |
| 161 | L | 90.7 | Very high | 78.5 | Confident | 0 Ų | 0 | 83.8 Ų | 83.8 | 0% | 0 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 176.2 | -72.7 | 171.6 | 0 | 0 | 0 | 112.2 | P124 A127 I151 G157 V158 G163 L164 L165 | P124-L161 HydrophobicContact CB-CD2 4.19Å; P124-L161 HydrophobicContact CB-CG 4.16Å; A127-L161 HydrophobicContact CB-CD2 3.44Å; A127-L161 VanDerWaalsContact CB-CD2 3.44Å; I151-L161 HydrophobicContact CD1-CB 3.71Å; I151-L161 HydrophobicContact CG1-CB 4.23Å; I151-L161 HydrophobicContact CG2-CB 4.41Å; I151-L161 HydrophobicContact CG2-CD1 4.22Å; G157-L161 PolarHBondContact O-N 2.77Å; V158-L161 PolarHBondContact O-N 2.83Å; L161-G163 PolarHBondContact O-N 3.28Å; L161-L164 PolarHBondContact O-N 2.9Å; L161-L165 WeakPolarHBondContact O-CG 3.27Å; L161-L165 PolarHBondContact O-N 2.82Å; L161-L165 VanDerWaalsContact O-N 3.07Å |
| 162 | Q | 89.4 | Confident | 76 | Confident | 75 Ų | 75 | 87 Ų | 87 | 35% | 0.35 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.6 | -45.2 | 175.4 | -74.1 | 173.9 | -29.2 | 0 | 0 | 111.8 | I151 V158 L164 L165 G166 V167 | I151-Q162 HydrophobicContact CD1-CG 4.1Å; V158-Q162 HydrophobicContact CG2-CG 4.4Å; V158-Q162 WeakPolarHBondContact O-CB 3.46Å; V158-Q162 VanDerWaalsContact O-CG 3.3Å; V158-Q162 WeakPolarHBondContact O-CG 3.34Å; V158-Q162 PolarHBondContact O-N 2.98Å; Q162-L164 VanDerWaalsContact C-N 3.35Å; Q162-L164 PolarHBondContact O-N 2.98Å; Q162-L165 PolarHBondContact O-N 3.15Å; Q162-G166 PolarHBondContact O-N 3.03Å; Q162-G166 VanDerWaalsContact O-N 3.14Å; Q162-V167 HydrophobicContact CB-CB 4.48Å; Q162-V167 PolarHBondContact O-N 3.38Å |
| 163 | G | 88.1 | Confident | 73.9 | Confident | 60 Ų | 60 | 92 Ų | 92 | 62% | 0.619 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.4 | -34.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | R159 E160 L161 G166 | R159-G163 PolarHBondContact O-N 3.35Å; R159-G163 VanDerWaalsContact O-N 3.15Å; E160-G163 PolarHBondContact O-N 3.5Å; L161-G163 PolarHBondContact O-N 3.28Å; G163-G166 PolarHBondContact O-N 3.45Å |
| 164 | L | 88.1 | Confident | 72.1 | Confident | 56 Ų | 56 | 98 Ų | 98 | 29% | 0.293 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.5 | -36.8 | 176.5 | -75.3 | 169.9 | 0 | 0 | 0 | 112.5 | K128 L131 E160 L161 Q162 G166 | K128-L164 HydrophobicContact CB-CD1 3.8Å; K128-L164 HydrophobicContact CB-CD2 4.14Å; K128-L164 HydrophobicContact CD-CD2 4.38Å; K128-L164 HydrophobicContact CG-CD1 4.48Å; K128-L164 HydrophobicContact CG-CD2 3.97Å; L131-L164 HydrophobicContact CD1-CB 3.86Å; E160-L164 HydrophobicContact CG-CD1 4.04Å; E160-L164 HydrophobicContact CG-CG 4.36Å; E160-L164 WeakPolarHBondContact O-CB 3.3Å; E160-L164 WeakPolarHBondContact O-CG 3.46Å; E160-L164 PolarHBondContact O-N 3.15Å; L161-L164 PolarHBondContact O-N 2.9Å; Q162-L164 VanDerWaalsContact C-N 3.35Å; Q162-L164 PolarHBondContact O-N 2.98Å; L164-G166 VanDerWaalsContact C-N 3.31Å |
| 165 | L | 86.2 | Confident | 71.4 | Confident | 16 Ų | 16 | 94.1 Ų | 94.1 | 8% | 0.084 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -87.3 | -1.3 | -179.2 | -63.5 | 175.5 | 0 | 0 | 0 | 113.2 | L115 L131 P137 P147 A148 I151 L161 Q162 V167 | L115-L165 HydrophobicContact CD2-CD2 4.37Å; L131-L165 HydrophobicContact CD1-CD2 4.03Å; L131-L165 HydrophobicContact CD2-CD2 4.17Å; P137-L165 HydrophobicContact CB-CD2 3.59Å; P147-L165 HydrophobicContact CB-CD1 4.38Å; A148-L165 VanDerWaalsContact CA-CD1 3.48Å; A148-L165 HydrophobicContact CB-CB 4.31Å; A148-L165 HydrophobicContact CB-CD1 3.65Å; I151-L165 HydrophobicContact CD1-CD1 3.9Å; L161-L165 WeakPolarHBondContact O-CG 3.27Å; L161-L165 PolarHBondContact O-N 2.82Å; L161-L165 VanDerWaalsContact O-N 3.07Å; Q162-L165 PolarHBondContact O-N 3.15Å; L165-V167 VanDerWaalsContact C-N 3.28Å; L165-V167 HydrophobicContact CB-CG2 3.97Å; L165-V167 PolarHBondContact O-N 2.72Å |
| 166 | G | 77.6 | Confident | 70.8 | Confident | 55 Ų | 55 | 98.1 Ų | 98.1 | 57% | 0.567 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.4 | 28.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | Q162 G163 L164 E168 | Q162-G166 PolarHBondContact O-N 3.03Å; Q162-G166 VanDerWaalsContact O-N 3.14Å; G163-G166 PolarHBondContact O-N 3.45Å; L164-G166 VanDerWaalsContact C-N 3.31Å; G166-E168 PolarHBondContact O-N 3.1Å |
| 167 | V | 66.5 | Low | 70.3 | Confident | 73 Ų | 73 | 94.7 Ų | 94.7 | 44% | 0.442 | 54% | 0.54 | S | S | . | . | trans | -78.5 | 72.1 | 170.4 | -154.2 | 0 | 0 | 0 | 0 | 106.7 | A148 Q162 L165 | A148-V167 HydrophobicContact CB-CG2 3.75Å; Q162-V167 HydrophobicContact CB-CB 4.48Å; Q162-V167 PolarHBondContact O-N 3.38Å; L165-V167 VanDerWaalsContact C-N 3.28Å; L165-V167 HydrophobicContact CB-CG2 3.97Å; L165-V167 PolarHBondContact O-N 2.72Å | ||
| 168 | E | 52 | Low | 69.5 | Low | 160 Ų | 160 | 99.8 Ų | 99.8 | 75% | 0.748 | 57% | 0.566 | S | S | * | * | trans | -70.4 | 131.2 | 171.2 | -62.3 | -167 | 123.1 | 0 | 0 | 107.5 | G166 D170 | G166-E168 PolarHBondContact O-N 3.1Å; E168-D170 VanDerWaalsContact C-N 3.26Å; E168-D170 PolarHBondContact O-N 3.14Å | ||
| 169 | D | 51.8 | Low | 68.4 | Low | 148 Ų | 148 | 104.2 Ų | 104.2 | 79% | 0.791 | 59% | 0.591 | S | S | * | * | trans | -57.4 | 90 | 171.3 | -92.4 | -75.9 | 0 | 0 | 0 | 109 | G171 | D169-G171 PolarHBondContact O-N 3.28Š| ||
| 170 | D | 48.8 | Very low | 67.2 | Low | 167 Ų | 167 | 96.7 Ų | 96.7 | 89% | 0.893 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | 37.4 | 170.4 | -71.5 | -18.8 | 0 | 0 | 0 | 111.8 | E168 | E168-D170 VanDerWaalsContact C-N 3.26Å; E168-D170 PolarHBondContact O-N 3.14Å |
| 171 | G | 51 | Low | 65.5 | Low | 60 Ų | 60 | 97.5 Ų | 97.5 | 62% | 0.619 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134 | 1.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | D169 L173 | D169-G171 PolarHBondContact O-N 3.28Å; G171-L173 VanDerWaalsContact C-N 3.3Å; G171-L173 PolarHBondContact O-N 3.08Å |
| 172 | A | 38.8 | Very low | 63.6 | Low | 86 Ų | 86 | 105 Ų | 105 | 71% | 0.711 | 63% | 0.633 | S | S | * | * | trans | -82 | 76.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | I174 | A172-I174 PolarHBondContact O-N 3.27Å; A172-I174 VanDerWaalsContact O-N 3.11Å | ||
| 173 | L | 42.6 | Very low | 61.4 | Low | 176 Ų | 176 | 107.5 Ų | 107.5 | 92% | 0.921 | 66% | 0.657 | S | S | * | * | trans | -64.8 | 101 | 155.8 | -79.1 | 167.8 | 0 | 0 | 0 | 108 | G171 | G171-L173 VanDerWaalsContact C-N 3.3Å; G171-L173 PolarHBondContact O-N 3.08Å | ||
| 174 | I | 46 | Very low | 59 | Low | 233 Ų | 233 | 111.8 Ų | 111.8 | 100% | 1.195 | 66% | 0.66 | S | S | * | * | trans | -78.8 | 0 | 157.1 | 51.5 | 166.4 | 0 | 0 | 0 | 110.9 | A172 | A172-I174 PolarHBondContact O-N 3.27Å; A172-I174 VanDerWaalsContact O-N 3.11Å |
Retrieved 174 of 174 residues in 207 ms
(Link to these results)