| 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 | 53.5 | Low | 53.4 | Low | 227 Ų | 227 | 143.7 Ų | 143.7 | 100% | 1.118 | 82% | 0.816 | S | S | * | * | 0 | 74.7 | 0 | -58.5 | 166 | 175.3 | 0 | 0 | 105.2 | |||||
| 2 | D | 57.4 | Low | 53.3 | Low | 157 Ų | 157 | 139.9 Ų | 139.9 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | cis | -148.6 | 151.9 | 21 | -68.8 | -59 | 0 | 0 | 0 | 110.3 | ||||
| 3 | D | 58.6 | Low | 54.2 | Low | 130 Ų | 130 | 137.5 Ų | 137.5 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | trans | -64.6 | 133.9 | -177.5 | -70.9 | -77.8 | 0 | 0 | 0 | 112.9 | ||||
| 4 | L | 59.1 | Low | 54.8 | Low | 136 Ų | 136 | 136.8 Ų | 136.8 | 71% | 0.712 | 80% | 0.8 | S | S | * | * | 84.7 | 134.4 | 99.2 | -69.2 | -177.3 | 0 | 0 | 0 | 116.3 | |||||
| 5 | L | 60.8 | Low | 54.5 | Low | 154 Ų | 154 | 134.9 Ų | 134.9 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | trans | 77.1 | 150.2 | 153.2 | -53.5 | 145.5 | 0 | 0 | 0 | 116.1 | ||||
| 6 | S | 63.6 | Low | 55.1 | Low | 102 Ų | 102 | 133.4 Ų | 133.4 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | cis | -175.7 | 145.7 | -21 | -96.7 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 7 | P | 45.5 | Very low | 54.6 | Low | 118 Ų | 118 | 131.3 Ų | 131.3 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | trans | -93.8 | 166.8 | -177.5 | 35.7 | -31 | 0 | 0 | 0 | 113.3 | ||||
| 8 | C | 42.8 | Very low | 54.1 | Low | 133 Ų | 133 | 129.8 Ų | 129.8 | 90% | 0.899 | 78% | 0.78 | S | S | * | * | trans | 73.6 | 104.9 | 165.9 | -69.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 9 | S | 49.8 | Very low | 53.8 | Low | 117 Ų | 117 | 132.8 Ų | 132.8 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -134.7 | 120.5 | 143.4 | 60.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 10 | S | 49.9 | Very low | 52.9 | Low | 101 Ų | 101 | 135.5 Ų | 135.5 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | trans | -54.2 | 132 | -179.1 | -165.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 11 | F | 46.5 | Very low | 52.3 | Low | 206 Ų | 206 | 134.3 Ų | 134.3 | 90% | 0.904 | 78% | 0.784 | S | S | * | * | trans | -130.5 | 93.2 | 155.9 | -111 | -88.7 | 0 | 0 | 0 | 107.2 | P13 | F11-P13 WeakPolarHBondContact O-CD 3.46Š| ||
| 12 | S | 51.9 | Low | 51.6 | Low | 98 Ų | 98 | 131.6 Ų | 131.6 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 117.2 | 167.3 | -59.4 | 0 | 0 | 0 | 0 | 108.2 | ||
| 13 | P | 65.9 | Low | 50.7 | Low | 109 Ų | 109 | 129 Ų | 129 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -73 | 147.5 | 164.5 | 30.4 | -30.6 | 0 | 0 | 0 | 109.3 | F11 S15 | F11-P13 WeakPolarHBondContact O-CD 3.46Å; P13-S15 PolarHBondContact O-N 3.4Å |
| 14 | P | 62.1 | Low | 49.8 | Very low | 127 Ų | 127 | 128.3 Ų | 128.3 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -66 | 131 | 175.6 | 28.2 | -32.3 | 0 | 0 | 0 | 109.6 | ||
| 15 | S | 50.2 | Low | 48.9 | Very low | 109 Ų | 109 | 129.3 Ų | 129.3 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 137.7 | 174.8 | -43.5 | 0 | 0 | 0 | 0 | 110.8 | P13 | P13-S15 PolarHBondContact O-N 3.4Š|
| 16 | P | 64.2 | Low | 48.1 | Very low | 111 Ų | 111 | 127.2 Ų | 127.2 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -62 | 147.4 | 168.9 | 28 | -32.5 | 0 | 0 | 0 | 109 | S18 | P16-S18 PolarHBondContact O-N 3.05Š|
| 17 | P | 46.7 | Very low | 46.9 | Very low | 97 Ų | 97 | 128.3 Ų | 128.3 | 63% | 0.63 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 127.9 | 175.7 | 25.3 | -33.3 | 0 | 0 | 0 | 109.3 | F19 | P17-F19 VanDerWaalsContact C-N 3.31Å; P17-F19 HydrophobicContact CB-CD2 4.38Å; P17-F19 HydrophobicContact CB-CE2 4.21Å; P17-F19 HydrophobicContact CG-CD2 4.02Å; P17-F19 HydrophobicContact CG-CE2 3.63Å; P17-F19 WeakPolarHBondContact O-CD2 3.1Å; P17-F19 PolarHBondContact O-N 3.48Å |
| 18 | S | 45.3 | Very low | 47 | Very low | 105 Ų | 105 | 128.2 Ų | 128.2 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | trans | -56.6 | 91.4 | 168 | 169.9 | 0 | 0 | 0 | 0 | 109.5 | P16 F20 | P16-S18 PolarHBondContact O-N 3.05Å; S18-F20 PolarHBondContact O-N 3.37Å; S18-F20 VanDerWaalsContact O-N 3.14Å | ||
| 19 | F | 48.5 | Very low | 46.7 | Very low | 186 Ų | 186 | 129.9 Ų | 129.9 | 82% | 0.816 | 75% | 0.753 | S | S | * | * | trans | -83.9 | 62.1 | 165 | -79.8 | -79.7 | 0 | 0 | 0 | 109.3 | P17 | P17-F19 VanDerWaalsContact C-N 3.31Å; P17-F19 HydrophobicContact CB-CD2 4.38Å; P17-F19 HydrophobicContact CB-CE2 4.21Å; P17-F19 HydrophobicContact CG-CD2 4.02Å; P17-F19 HydrophobicContact CG-CE2 3.63Å; P17-F19 WeakPolarHBondContact O-CD2 3.1Å; P17-F19 PolarHBondContact O-N 3.48Å | ||
| 20 | F | 35.4 | Very low | 46.1 | Very low | 186 Ų | 186 | 132.4 Ų | 132.4 | 82% | 0.816 | 75% | 0.749 | S | S | * | * | trans | -122.2 | 90.6 | 160.9 | -84 | -77.5 | 0 | 0 | 0 | 107.2 | S18 | S18-F20 PolarHBondContact O-N 3.37Å; S18-F20 VanDerWaalsContact O-N 3.14Å | ||
| 21 | S | 40.1 | Very low | 45.6 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | trans | -167 | 127.9 | 161 | -85.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 22 | H | 39.3 | Very low | 45.4 | Very low | 170 Ų | 170 | 126.6 Ų | 126.6 | 79% | 0.787 | 74% | 0.74 | S | S | * | * | trans | 73.2 | 94.9 | 177.1 | -71.6 | -97 | 0 | 0 | 0 | 117 | V24 | H22-V24 HydrophobicContact CB-CG2 4.09Å; H22-V24 PolarHBondContact O-N 3.03Å | ||
| 23 | A | 37.5 | Very low | 45.2 | Very low | 101 Ų | 101 | 127.6 Ų | 127.6 | 84% | 0.835 | 75% | 0.745 | S | S | * | * | trans | -50.5 | 94.2 | 146.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 24 | V | 41.4 | Very low | 44.5 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 71% | 0.709 | 74% | 0.743 | S | S | * | * | trans | -116.2 | 104.9 | 158.4 | -170.1 | 0 | 0 | 0 | 0 | 103.6 | H22 | H22-V24 HydrophobicContact CB-CG2 4.09Å; H22-V24 PolarHBondContact O-N 3.03Å | ||
| 25 | H | 40.2 | Very low | 44.1 | Very low | 157 Ų | 157 | 127.7 Ų | 127.7 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | -47.3 | 127.2 | 171 | -69.5 | -82.2 | 0 | 0 | 0 | 108.1 | V27 | H25-V27 PolarHBondContact O-N 3.27Š| ||
| 26 | P | 43.2 | Very low | 44.4 | Very low | 109 Ų | 109 | 125.2 Ų | 125.2 | 71% | 0.708 | 71% | 0.713 | S | S | * | * | trans | -61.3 | 105.5 | 158 | 27 | -28.7 | 0 | 0 | 0 | 104.3 | I28 | P26-I28 PolarHBondContact O-N 3.28Š| ||
| 27 | V | 39.1 | Very low | 44 | Very low | 125 Ų | 125 | 125.9 Ų | 125.9 | 76% | 0.758 | 71% | 0.706 | S | S | * | * | trans | -56.7 | 97.1 | 159.5 | 170.7 | 0 | 0 | 0 | 0 | 103.5 | H25 E29 | H25-V27 PolarHBondContact O-N 3.27Å; V27-E29 HydrophobicContact CG1-CB 4.18Å; V27-E29 PolarHBondContact O-N 3.3Å | ||
| 28 | I | 46.3 | Very low | 44.6 | Very low | 116 Ų | 116 | 123.9 Ų | 123.9 | 60% | 0.595 | 69% | 0.689 | S | S | * | * | trans | -70.8 | 86.1 | 161.6 | -58.2 | 175.4 | 0 | 0 | 0 | 102.3 | P26 F30 | P26-I28 PolarHBondContact O-N 3.28Å; I28-F30 HydrophobicContact CB-CD2 4.42Å; I28-F30 HydrophobicContact CB-CE2 4.21Å; I28-F30 HydrophobicContact CG2-CD2 3.8Å; I28-F30 HydrophobicContact CG2-CE1 4.4Å; I28-F30 HydrophobicContact CG2-CE2 3.61Å; I28-F30 HydrophobicContact CG2-CG 4.29Å; I28-F30 HydrophobicContact CG2-CZ 3.93Å; I28-F30 PolarHBondContact O-N 2.83Å | ||
| 29 | E | 36.7 | Very low | 45.5 | Very low | 169 Ų | 169 | 122.4 Ų | 122.4 | 79% | 0.79 | 67% | 0.667 | S | S | * | * | trans | -63.5 | 89.6 | 164.2 | -163.1 | 176.7 | -168.2 | 0 | 0 | 104.3 | V27 A31 | V27-E29 HydrophobicContact CG1-CB 4.18Å; V27-E29 PolarHBondContact O-N 3.3Å; E29-A31 PolarHBondContact O-N 3.4Å | ||
| 30 | F | 38.2 | Very low | 46.1 | Very low | 169 Ų | 169 | 119.8 Ų | 119.8 | 74% | 0.741 | 66% | 0.661 | S | S | * | * | trans | -59.4 | 100.9 | 159.2 | -75.2 | -84.9 | 0 | 0 | 0 | 103.7 | I28 S32 | I28-F30 HydrophobicContact CB-CD2 4.42Å; I28-F30 HydrophobicContact CB-CE2 4.21Å; I28-F30 HydrophobicContact CG2-CD2 3.8Å; I28-F30 HydrophobicContact CG2-CE1 4.4Å; I28-F30 HydrophobicContact CG2-CE2 3.61Å; I28-F30 HydrophobicContact CG2-CG 4.29Å; I28-F30 HydrophobicContact CG2-CZ 3.93Å; I28-F30 PolarHBondContact O-N 2.83Å; F30-S32 PolarHBondContact O-N 3.1Å | ||
| 31 | A | 38.7 | Very low | 47.3 | Very low | 80 Ų | 80 | 115 Ų | 115 | 66% | 0.661 | 64% | 0.643 | S | S | * | * | trans | -53.7 | 104.7 | 160.3 | 0 | 0 | 0 | 0 | 0 | 104.3 | E29 C33 | E29-A31 PolarHBondContact O-N 3.4Å; A31-C33 VanDerWaalsContact C-N 3.31Å; A31-C33 PolarHBondContact O-N 3.31Å | ||
| 32 | S | 43.2 | Very low | 48.2 | Very low | 106 Ų | 106 | 112.3 Ų | 112.3 | 74% | 0.741 | 62% | 0.62 | S | S | * | * | trans | -48 | 107.6 | 170.2 | -84.6 | 0 | 0 | 0 | 0 | 105.2 | F30 E34 | F30-S32 PolarHBondContact O-N 3.1Å; S32-E34 PolarHBondContact O-N 2.78Å | ||
| 33 | C | 46.9 | Very low | 49.1 | Very low | 119 Ų | 119 | 109.2 Ų | 109.2 | 80% | 0.804 | 61% | 0.609 | S | S | * | * | trans | -72.4 | 76.2 | 164.9 | -65.3 | 0 | 0 | 0 | 0 | 103.7 | A31 V35 | A31-C33 VanDerWaalsContact C-N 3.31Å; A31-C33 PolarHBondContact O-N 3.31Å; C33-V35 VanDerWaalsContact C-N 3.27Å; C33-V35 PolarHBondContact O-N 3.33Å | ||
| 34 | E | 52.2 | Low | 50.1 | Low | 141 Ų | 141 | 110.8 Ų | 110.8 | 66% | 0.659 | 60% | 0.603 | S | S | * | * | trans | -50.9 | 103.8 | 165.4 | -162.4 | 97 | -138.4 | 0 | 0 | 103.8 | S32 P36 | S32-E34 PolarHBondContact O-N 2.78Å; E34-P36 WeakPolarHBondContact O-CD 3.19Å | ||
| 35 | V | 52.8 | Low | 50.6 | Low | 96 Ų | 96 | 110 Ų | 110 | 58% | 0.582 | 60% | 0.599 | S | S | * | * | trans | -56.3 | 110.4 | 171 | 172.2 | 0 | 0 | 0 | 0 | 102.7 | C33 E37 L40 | C33-V35 VanDerWaalsContact C-N 3.27Å; C33-V35 PolarHBondContact O-N 3.33Å; V35-E37 PolarHBondContact O-N 2.9Å; V35-L40 HydrophobicContact CG1-CD1 4.28Å | ||
| 36 | P | 55.9 | Low | 51 | Low | 58 Ų | 58 | 107.9 Ų | 107.9 | 38% | 0.377 | 60% | 0.596 | S | S | . | * | trans | -58.7 | 120.4 | -163.5 | -23.4 | 32 | 0 | 0 | 0 | 106.7 | E34 Q38 W39 | E34-P36 WeakPolarHBondContact O-CD 3.19Å; P36-Q38 HydrophobicContact CB-CG 3.64Å; P36-Q38 PolarHBondContact O-N 2.87Å; P36-W39 PolarHBondContact O-N 3.12Å | ||
| 37 | E | 56.8 | Low | 51.1 | Low | 124 Ų | 124 | 106.4 Ų | 106.4 | 58% | 0.579 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | -24.6 | -168.8 | -69.2 | -170.7 | 142 | 0 | 0 | 111.2 | V35 W39 L40 L41 | V35-E37 PolarHBondContact O-N 2.9Å; E37-W39 PolarHBondContact O-N 2.87Å; E37-W39 VanDerWaalsContact O-N 3.1Å; E37-L40 PolarHBondContact O-N 3.41Å; E37-L41 WeakPolarHBondContact O-CB 3.16Å; E37-L41 PolarHBondContact O-N 3.33Å |
| 38 | Q | 59.6 | Low | 51.2 | Low | 56 Ų | 56 | 108.8 Ų | 108.8 | 26% | 0.262 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -48.4 | -30.7 | 168.8 | 64.5 | 179.7 | 32.7 | 0 | 0 | 114.7 | P36 L40 D42 D138 | P36-Q38 HydrophobicContact CB-CG 3.64Å; P36-Q38 PolarHBondContact O-N 2.87Å; Q38-L40 VanDerWaalsContact C-N 3.31Å; Q38-L40 PolarHBondContact O-N 3.2Å; Q38-D42 WeakPolarHBondContact O-CB 3.49Å; Q38-D42 VanDerWaalsContact O-CG 3.23Å; Q38-D42 PolarHBondContact O-N 3.09Å; Q38-D138 PolarHBondContact NE2-OD2 3.44Å |
| 39 | W | 64.2 | Low | 50.8 | Low | 74 Ų | 74 | 110.5 Ų | 110.5 | 28% | 0.28 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -68.4 | -33.9 | 177.9 | -69.9 | 73.5 | 0 | 0 | 0 | 112 | P36 E37 R135 D138 L139 | P36-W39 PolarHBondContact O-N 3.12Å; E37-W39 PolarHBondContact O-N 2.87Å; E37-W39 VanDerWaalsContact O-N 3.1Å; W39-R135 PolarHBondContact O-NH1 2.93Å; W39-D138 HydrophobicContact CH2-CB 4.16Å; W39-D138 HydrophobicContact CZ2-CB 3.33Å; W39-L139 HydrophobicContact CH2-CB 3.95Å; W39-L139 HydrophobicContact CH2-CD1 4.3Å |
| 40 | L | 60.5 | Low | 51 | Low | 131 Ų | 131 | 111.8 Ų | 111.8 | 69% | 0.686 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -97.5 | -37.1 | -175.1 | -71.9 | 162 | 0 | 0 | 0 | 112.3 | V35 E37 Q38 | V35-L40 HydrophobicContact CG1-CD1 4.28Å; E37-L40 PolarHBondContact O-N 3.41Å; Q38-L40 VanDerWaalsContact C-N 3.31Å; Q38-L40 PolarHBondContact O-N 3.2Å |
| 41 | L | 61.5 | Low | 51 | Low | 86 Ų | 86 | 107.6 Ų | 107.6 | 45% | 0.45 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -87.6 | -25.4 | -173.4 | -101.9 | 68.6 | 0 | 0 | 0 | 114.3 | E37 D43 L44 | E37-L41 WeakPolarHBondContact O-CB 3.16Å; E37-L41 PolarHBondContact O-N 3.33Å; L41-D43 PolarHBondContact O-N 3.26Å; L41-L44 PolarHBondContact O-N 2.82Å |
| 42 | D | 59.2 | Low | 50.9 | Low | 55 Ų | 55 | 114.4 Ų | 114.4 | 29% | 0.294 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.4 | -14.3 | -173.1 | -85.4 | -19.9 | 0 | 0 | 0 | 113.9 | Q38 K131 | Q38-D42 WeakPolarHBondContact O-CB 3.49Å; Q38-D42 VanDerWaalsContact O-CG 3.23Å; Q38-D42 PolarHBondContact O-N 3.09Å; D42-K131 PolarHBondContact O-NZ 3.07Å |
| 43 | D | 57.5 | Low | 50.8 | Low | 105 Ų | 105 | 116.6 Ų | 116.6 | 56% | 0.561 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -14.2 | 173.8 | -68.6 | -40.4 | 0 | 0 | 0 | 112.8 | L41 K131 R135 | L41-D43 PolarHBondContact O-N 3.26Å; D43-K131 IonicContact OD1-NZ 3.11Å; D43-K131 PolarHBondContact OD1-NZ 3.36Å; D43-R135 IonicContact OD1-NH2 2.6Å; D43-R135 IonicContact OD2-CZ 2.65Å; D43-R135 IonicContact OD2-NH2 3.78Å; D43-R135 PolarHBondContact OD2-NH2 3.4Å |
| 44 | L | 57.5 | Low | 50.4 | Low | 134 Ų | 134 | 117.9 Ų | 117.9 | 70% | 0.702 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -20.9 | 178.7 | -157.8 | 69.9 | 0 | 0 | 0 | 113.3 | L41 | L41-L44 PolarHBondContact O-N 2.82Š|
| 45 | V | 52.8 | Low | 50.4 | Low | 101 Ų | 101 | 117.5 Ų | 117.5 | 61% | 0.612 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -95 | -17.4 | -171.6 | -173.6 | 0 | 0 | 0 | 0 | 113.5 | A47 | V45-A47 VanDerWaalsContact C-N 3.32Š|
| 46 | V | 49.4 | Very low | 49.9 | Very low | 111 Ų | 111 | 119.3 Ų | 119.3 | 67% | 0.673 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -11.4 | 173.7 | -178.8 | 0 | 0 | 0 | 0 | 112.3 | ||
| 47 | A | 43.6 | Very low | 49.2 | Very low | 78 Ų | 78 | 123.4 Ų | 123.4 | 65% | 0.645 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | 14.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | V45 N49 | V45-A47 VanDerWaalsContact C-N 3.32Å; A47-N49 PolarHBondContact O-N 2.91Å |
| 48 | K | 42.4 | Very low | 48.6 | Very low | 176 Ų | 176 | 124.4 Ų | 124.4 | 77% | 0.765 | 67% | 0.667 | S | S | * | * | trans | -97.6 | 63.3 | 172.8 | -83.4 | -172.6 | 173.8 | 176.8 | 0 | 111.6 | ||||
| 49 | N | 36.9 | Very low | 47.8 | Very low | 151 Ų | 151 | 133.9 Ų | 133.9 | 81% | 0.807 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -164 | 135.5 | 151.1 | -88 | -31.3 | 0 | 0 | 0 | 105 | A47 | A47-N49 PolarHBondContact O-N 2.91Š|
| 50 | E | 41 | Very low | 46.8 | Very low | 197 Ų | 197 | 135.7 Ų | 135.7 | 92% | 0.921 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 99.3 | 106.6 | 177.1 | -40.7 | -134.5 | 134.7 | 0 | 0 | 115.7 | ||
| 51 | G | 37.5 | Very low | 45.5 | Very low | 80 Ų | 80 | 135.8 Ų | 135.8 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | trans | 77.5 | 92.9 | 132.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | D53 | G51-D53 PolarHBondContact O-N 3.47Š| ||
| 52 | Y | 36.7 | Very low | 44.4 | Very low | 224 Ų | 224 | 142.4 Ų | 142.4 | 88% | 0.878 | 75% | 0.746 | S | S | * | * | trans | -71.9 | 110.7 | 159.3 | -167.6 | -86.2 | 0 | 0 | 0 | 108.8 | ||||
| 53 | D | 42.3 | Very low | 43.3 | Very low | 152 Ų | 152 | 145 Ų | 145 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | -163.9 | 100.4 | 153.2 | -85.8 | -47.3 | 0 | 0 | 0 | 109.1 | G51 | G51-D53 PolarHBondContact O-N 3.47Š| ||
| 54 | D | 38.9 | Very low | 42.4 | Very low | 145 Ų | 145 | 145.7 Ų | 145.7 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | trans | 29.5 | 105.2 | 135.2 | -156.3 | 66.7 | 0 | 0 | 0 | 118.3 | ||||
| 55 | V | 52.6 | Low | 41.4 | Very low | 134 Ų | 134 | 147.9 Ų | 147.9 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | -162.3 | 131 | 132 | -84.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 56 | D | 41.1 | Very low | 40.9 | Very low | 134 Ų | 134 | 148.4 Ų | 148.4 | 72% | 0.717 | 80% | 0.802 | S | S | * | * | trans | -22.6 | 141 | 171.1 | -70.1 | -101.2 | 0 | 0 | 0 | 119 | ||||
| 57 | D | 41.7 | Very low | 40.4 | Very low | 143 Ų | 143 | 148.3 Ų | 148.3 | 77% | 0.765 | 80% | 0.804 | S | S | * | * | trans | 31.8 | 154.3 | 131 | -87 | -68.9 | 0 | 0 | 0 | 121.3 | ||||
| 58 | L | 42.8 | Very low | 40.2 | Very low | 146 Ų | 146 | 152 Ų | 152 | 76% | 0.764 | 81% | 0.813 | S | S | * | * | trans | 105.2 | 72.2 | 162.6 | -50 | 166 | 0 | 0 | 0 | 115.8 | ||||
| 59 | W | 44.2 | Very low | 40.4 | Very low | 254 Ų | 254 | 148.9 Ų | 148.9 | 96% | 0.962 | 81% | 0.813 | S | S | * | * | trans | -96.7 | 106.5 | 135.7 | -104.4 | 11.6 | 0 | 0 | 0 | 109.2 | V61 | W59-V61 PolarHBondContact O-N 3.4Å; W59-V61 VanDerWaalsContact O-N 3.13Å | ||
| 60 | P | 42.2 | Very low | 40.7 | Very low | 112 Ų | 112 | 150.2 Ų | 150.2 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | trans | -74.2 | 109.4 | -178.6 | -2.7 | 17.9 | 0 | 0 | 0 | 110.2 | R62 | P60-R62 PolarHBondContact O-N 2.81Š| ||
| 61 | V | 34 | Very low | 40.7 | Very low | 134 Ų | 134 | 147.1 Ų | 147.1 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | trans | -60 | 109.9 | 148.5 | 167.1 | 0 | 0 | 0 | 0 | 108 | W59 | W59-V61 PolarHBondContact O-N 3.4Å; W59-V61 VanDerWaalsContact O-N 3.13Å | ||
| 62 | R | 38.4 | Very low | 41 | Very low | 224 Ų | 224 | 149 Ų | 149 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | trans | 171.3 | 111.2 | 149.2 | -97.6 | 161.3 | 163.4 | -122.9 | -5.9 | 109.5 | P60 | P60-R62 PolarHBondContact O-N 2.81Š| ||
| 63 | S | 34.8 | Very low | 41.1 | Very low | 109 Ų | 109 | 147.1 Ų | 147.1 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | 56.6 | 97.7 | 90.6 | -63.6 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 64 | S | 39.7 | Very low | 40.9 | Very low | 120 Ų | 120 | 149.1 Ų | 149.1 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | 165.2 | 99.6 | 121.8 | 35.9 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 65 | L | 37.1 | Very low | 41 | Very low | 180 Ų | 180 | 147.9 Ų | 147.9 | 94% | 0.942 | 81% | 0.812 | S | S | * | * | trans | -76.5 | 117.3 | 162.4 | -69.3 | 164.7 | 0 | 0 | 0 | 107.5 | ||||
| 66 | S | 42.1 | Very low | 40.8 | Very low | 113 Ų | 113 | 149.3 Ų | 149.3 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | trans | -120.7 | 125 | 154.4 | -84.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 67 | P | 39.1 | Very low | 41.9 | Very low | 109 Ų | 109 | 148.5 Ų | 148.5 | 71% | 0.708 | 82% | 0.817 | S | S | * | * | trans | -87.5 | 144.1 | 170.4 | 35.4 | -28.4 | 0 | 0 | 0 | 109.5 | ||||
| 68 | D | 37.7 | Very low | 42.7 | Very low | 156 Ų | 156 | 147.8 Ų | 147.8 | 83% | 0.834 | 82% | 0.82 | S | S | * | * | trans | 158.4 | 120.2 | 139.7 | -80.9 | -32.5 | 0 | 0 | 0 | 110 | ||||
| 69 | S | 48.5 | Very low | 43.3 | Very low | 110 Ų | 110 | 149.6 Ų | 149.6 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | trans | 147.7 | 109.3 | 138.3 | -65.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 70 | E | 42.9 | Very low | 44.4 | Very low | 178 Ų | 178 | 143 Ų | 143 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | 62.7 | 105.3 | 135.4 | -62.8 | -168 | 91 | 0 | 0 | 122 | ||||
| 71 | V | 40.2 | Very low | 45.8 | Very low | 132 Ų | 132 | 143.4 Ų | 143.4 | 80% | 0.8 | 82% | 0.817 | S | S | * | * | 30 | 107.6 | 118.8 | -177.6 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 72 | S | 44.1 | Very low | 47.2 | Very low | 120 Ų | 120 | 142.4 Ų | 142.4 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | trans | -158.7 | 121.7 | 135.2 | -91 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 73 | E | 39.2 | Very low | 48.1 | Very low | 185 Ų | 185 | 138 Ų | 138 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | trans | -57.2 | 136.1 | 169 | -76.4 | 174.3 | 62.1 | 0 | 0 | 111.5 | ||||
| 74 | Q | 38.5 | Very low | 48.9 | Very low | 193 Ų | 193 | 138.7 Ų | 138.7 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | trans | -151.9 | 137.1 | 142.1 | -126.4 | -177.3 | -73.8 | 0 | 0 | 112 | ||||
| 75 | P | 39.1 | Very low | 49 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 163.2 | -159.1 | -4.9 | 27.1 | 0 | 0 | 0 | 115.5 | ||
| 76 | L | 48.8 | Very low | 49.4 | Very low | 165 Ų | 165 | 142.3 Ų | 142.3 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 146.3 | -178 | -66 | 157.4 | 0 | 0 | 0 | 115.8 | ||
| 77 | P | 64.7 | Low | 49.4 | Very low | 117 Ų | 117 | 145 Ų | 145 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -77 | 147.1 | 167.7 | 31.2 | -32 | 0 | 0 | 0 | 112.2 | ||
| 78 | P | 58.4 | Low | 49.6 | Very low | 127 Ų | 127 | 146.2 Ų | 146.2 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 145.1 | -166.4 | 32.5 | -34.1 | 0 | 0 | 0 | 114.1 | ||
| 79 | Q | 55.9 | Low | 49.9 | Very low | 185 Ų | 185 | 145 Ų | 145 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 147.8 | 168.2 | -80.1 | -167.3 | -10.5 | 0 | 0 | 112.1 | ||
| 80 | P | 66.6 | Low | 49.6 | Very low | 116 Ų | 116 | 145 Ų | 145 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 143.4 | 172.7 | 32.2 | -32.2 | 0 | 0 | 0 | 112.2 | ||
| 81 | P | 71.2 | Confident | 50 | Low | 120 Ų | 120 | 142.5 Ų | 142.5 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 155.4 | 179.9 | 32.3 | -34.4 | 0 | 0 | 0 | 113.4 | ||
| 82 | P | 65.2 | Low | 50.1 | Low | 113 Ų | 113 | 147.7 Ų | 147.7 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 151.5 | 179.7 | 32.8 | -34.1 | 0 | 0 | 0 | 112.9 | ||
| 83 | P | 55.6 | Low | 50.1 | Low | 132 Ų | 132 | 146.9 Ų | 146.9 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 126.7 | -177.6 | 31.3 | -31.8 | 0 | 0 | 0 | 111.9 | ||
| 84 | S | 52.6 | Low | 50.6 | Low | 122 Ų | 122 | 142.9 Ų | 142.9 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 144.9 | 169.8 | -65.4 | 0 | 0 | 0 | 0 | 111 | ||
| 85 | Q | 41.2 | Very low | 50.9 | Low | 188 Ų | 188 | 139.7 Ų | 139.7 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 144.5 | -168.5 | -59.3 | 166 | -17.5 | 0 | 0 | 113.2 | ||
| 86 | Q | 46 | Very low | 51.1 | Low | 189 Ų | 189 | 138.1 Ų | 138.1 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -161.5 | 96.8 | 155.2 | -99.1 | 169.6 | 18.7 | 0 | 0 | 106.6 | ||||
| 87 | E | 40.9 | Very low | 51 | Low | 168 Ų | 168 | 138.9 Ų | 138.9 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | 63.9 | 120.6 | 92.5 | -98.3 | -168.3 | 113 | 0 | 0 | 116.9 | |||||
| 88 | L | 45.1 | Very low | 50.1 | Low | 135 Ų | 135 | 141.8 Ų | 141.8 | 71% | 0.707 | 81% | 0.812 | S | S | * | * | trans | 74.1 | 103.9 | 146.3 | -64.1 | 156.1 | 0 | 0 | 0 | 119.2 | ||||
| 89 | T | 43.8 | Very low | 49.5 | Very low | 132 Ų | 132 | 144.1 Ų | 144.1 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | 170 | 135.3 | 91.8 | 40.6 | 0 | 0 | 0 | 0 | 113 | |||||
| 90 | S | 42.2 | Very low | 49.1 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | trans | 11.6 | 135.9 | 144.6 | -136.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 91 | V | 50.1 | Low | 48.2 | Very low | 126 Ų | 126 | 148.1 Ų | 148.1 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | -166.4 | 125.7 | 58.7 | -176.6 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 92 | R | 42.6 | Very low | 46.8 | Very low | 241 Ų | 241 | 150.8 Ų | 150.8 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | trans | 10.2 | 122.9 | 141.7 | -179.7 | 173.1 | 165.1 | -175.2 | -4.2 | 120.7 | ||||
| 93 | A | 43.7 | Very low | 46.1 | Very low | 103 Ų | 103 | 149.1 Ų | 149.1 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | -176 | 141.1 | 126 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 94 | A | 49.7 | Very low | 45.6 | Very low | 100 Ų | 100 | 152.2 Ų | 152.2 | 83% | 0.826 | 82% | 0.821 | S | S | * | * | trans | -94 | 175.6 | -165.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 95 | P | 44.8 | Very low | 45.4 | Very low | 126 Ų | 126 | 157.6 Ų | 157.6 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -104.8 | 161.1 | -145.6 | 40.3 | -36.7 | 0 | 0 | 0 | 116.1 | ||||
| 96 | A | 43.8 | Very low | 45.3 | Very low | 87 Ų | 87 | 160.2 Ų | 160.2 | 72% | 0.719 | 83% | 0.825 | S | S | * | * | trans | -162.2 | 123.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 97 | Q | 46.2 | Very low | 45.3 | Very low | 181 Ų | 181 | 154.8 Ų | 154.8 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | trans | 62.8 | 111.9 | 131 | -58.9 | 177.7 | -13.8 | 0 | 0 | 122.2 | ||||
| 98 | Q | 45.8 | Very low | 46.1 | Very low | 177 Ų | 177 | 158.6 Ų | 158.6 | 83% | 0.827 | 83% | 0.826 | S | S | * | * | 179.6 | 100.4 | 124.5 | -112.3 | 166.7 | -17.3 | 0 | 0 | 109.5 | |||||
| 99 | Q | 45.6 | Very low | 46.7 | Very low | 176 Ų | 176 | 161.9 Ų | 161.9 | 82% | 0.822 | 84% | 0.835 | S | S | * | * | 40.4 | 112.3 | 86.1 | -72.1 | -177.8 | 9 | 0 | 0 | 114.9 | |||||
| 100 | Q | 48.4 | Very low | 47.5 | Very low | 160 Ų | 160 | 161.9 Ų | 161.9 | 75% | 0.748 | 84% | 0.837 | S | S | * | * | trans | 149.2 | 129.2 | 144.2 | -80.5 | 168.7 | 51.6 | 0 | 0 | 108.3 | ||||
| 101 | R | 46.8 | Very low | 48 | Very low | 225 Ų | 225 | 159 Ų | 159 | 85% | 0.849 | 83% | 0.825 | S | S | * | * | cis | -167.8 | 135 | 11.7 | -110 | 166.8 | 159.7 | -149.5 | -8.1 | 108.9 | G103 | R101-G103 PolarHBondContact O-N 2.96Š| ||
| 102 | L | 42.6 | Very low | 48.5 | Very low | 176 Ų | 176 | 159.3 Ų | 159.3 | 92% | 0.921 | 83% | 0.829 | S | S | * | * | trans | -69.9 | 115.9 | 168.6 | -71.9 | 163.8 | 0 | 0 | 0 | 110.1 | ||||
| 103 | G | 51.2 | Low | 49.1 | Very low | 78 Ų | 78 | 157.2 Ų | 157.2 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | trans | -106.9 | 96.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R101 | R101-G103 PolarHBondContact O-N 2.96Š| ||
| 104 | K | 45.3 | Very low | 49.7 | Very low | 197 Ų | 197 | 158.7 Ų | 158.7 | 86% | 0.857 | 82% | 0.822 | S | S | * | * | trans | -72.1 | 117.5 | 171.7 | -73.2 | 156.9 | 174.1 | 177 | 0 | 110.6 | ||||
| 105 | R | 46.7 | Very low | 49.7 | Very low | 236 Ų | 236 | 159.9 Ų | 159.9 | 89% | 0.891 | 82% | 0.815 | S | S | * | * | trans | -137.5 | 91.4 | 163.7 | -76.2 | -76.4 | 167.8 | 179.4 | -5.7 | 111.7 | ||||
| 106 | R | 39.8 | Very low | 50.2 | Low | 243 Ų | 243 | 156.3 Ų | 156.3 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | trans | 14.6 | 122.3 | 142.9 | -61.9 | 177.4 | 177.6 | -128.1 | -0.7 | 118.9 | ||||
| 107 | G | 45.7 | Very low | 51 | Low | 74 Ų | 74 | 158 Ų | 158 | 76% | 0.763 | 81% | 0.805 | S | S | * | * | 96.3 | 85.9 | 124.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 108 | R | 58.7 | Low | 51.8 | Low | 248 Ų | 248 | 154 Ų | 154 | 94% | 0.936 | 80% | 0.803 | S | S | * | * | trans | -165.8 | 129.8 | 144.7 | -101.5 | 160.3 | -167.8 | -163.8 | 3 | 108.4 | ||||
| 109 | K | 56.9 | Low | 52.8 | Low | 204 Ų | 204 | 149.5 Ų | 149.5 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | trans | -56.3 | 131.1 | -178.9 | -67.6 | -175.8 | 175.2 | -174.3 | 0 | 110 | G111 | K109-G111 PolarHBondContact O-N 3.08Š| ||
| 110 | P | 60.9 | Low | 54.8 | Low | 132 Ų | 132 | 143.9 Ų | 143.9 | 86% | 0.857 | 77% | 0.767 | S | S | * | * | trans | -67.5 | 100.3 | 163.6 | -9.9 | 25.7 | 0 | 0 | 0 | 107 | ||||
| 111 | G | 53.5 | Low | 56.9 | Low | 49 Ų | 49 | 143.7 Ų | 143.7 | 51% | 0.505 | 77% | 0.766 | S | S | . | * | trans | -62.5 | 149.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | K109 R113 | K109-G111 PolarHBondContact O-N 3.08Å; G111-R113 PolarHBondContact O-N 2.84Å | ||
| 112 | P | 59.3 | Low | 59.1 | Low | 133 Ų | 133 | 137.5 Ų | 137.5 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | trans | -65.4 | 100.1 | 175.2 | 10.6 | 0.4 | 0 | 0 | 0 | 107.1 | ||||
| 113 | R | 55 | Low | 61.5 | Low | 197 Ų | 197 | 134.2 Ų | 134.2 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | trans | -65 | 133.3 | 162.2 | -64.6 | -110.7 | -159.4 | -165.3 | 7.5 | 105.8 | G111 D115 | G111-R113 PolarHBondContact O-N 2.84Å; R113-D115 HydrophobicContact CB-CB 4.32Å; R113-D115 WeakPolarHBondContact CB-OD1 3.47Å; R113-D115 WeakPolarHBondContact CB-OD2 3.37Å; R113-D115 PolarHBondContact O-N 2.81Å | ||
| 114 | P | 57.3 | Low | 63.3 | Low | 133 Ų | 133 | 132.9 Ų | 132.9 | 86% | 0.864 | 71% | 0.711 | S | S | * | * | trans | -72 | 59.8 | 166.8 | 32.2 | -31.6 | 0 | 0 | 0 | 108.4 | G116 | P114-G116 PolarHBondContact O-N 2.89Š| ||
| 115 | D | 48.3 | Very low | 65.7 | Low | 125 Ų | 125 | 126 Ų | 126 | 67% | 0.668 | 68% | 0.682 | S | S | * | * | trans | -80.2 | 69.1 | 172.4 | -62 | -28.1 | 0 | 0 | 0 | 106.5 | R113 | R113-D115 HydrophobicContact CB-CB 4.32Å; R113-D115 WeakPolarHBondContact CB-OD1 3.47Å; R113-D115 WeakPolarHBondContact CB-OD2 3.37Å; R113-D115 PolarHBondContact O-N 2.81Å | ||
| 116 | G | 57.2 | Low | 68 | Low | 51 Ų | 51 | 121.7 Ų | 121.7 | 53% | 0.526 | 67% | 0.666 | S | S | . | * | trans | -51.7 | 139.7 | 147.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | P114 A118 | P114-G116 PolarHBondContact O-N 2.89Å; G116-A118 PolarHBondContact O-N 3.03Å | ||
| 117 | P | 60.2 | Low | 70.6 | Confident | 124 Ų | 124 | 115.5 Ų | 115.5 | 81% | 0.805 | 65% | 0.647 | S | S | * | * | trans | -55.1 | 104.5 | -168.7 | 22.4 | -31.7 | 0 | 0 | 0 | 108.2 | V119 | P117-V119 VanDerWaalsContact C-N 3.32Å; P117-V119 PolarHBondContact O-N 3.28Å | ||
| 118 | A | 62.9 | Low | 73 | Confident | 97 Ų | 97 | 119.1 Ų | 119.1 | 80% | 0.802 | 64% | 0.638 | S | S | * | * | trans | -59.9 | 105.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 104.4 | G116 S120 | G116-A118 PolarHBondContact O-N 3.03Å; A118-S120 PolarHBondContact O-N 2.96Å | ||
| 119 | V | 67.4 | Low | 74.8 | Confident | 81 Ų | 81 | 114.4 Ų | 114.4 | 49% | 0.491 | 62% | 0.62 | S | S | . | * | trans | -46.5 | 121.1 | -174.8 | 175.3 | 0 | 0 | 0 | 0 | 106.5 | P117 H121 E123 | P117-V119 VanDerWaalsContact C-N 3.32Å; P117-V119 PolarHBondContact O-N 3.28Å; V119-H121 PolarHBondContact O-N 3.45Å; V119-E123 HydrophobicContact CG1-CB 3.37Å | ||
| 120 | S | 86.1 | Confident | 76.7 | Confident | 58 Ų | 58 | 109.9 Ų | 109.9 | 41% | 0.406 | 60% | 0.602 | S | S | . | * | trans | -54.3 | 143.7 | -175.5 | 170.7 | 0 | 0 | 0 | 0 | 108.8 | A118 V122 E123 S124 | A118-S120 PolarHBondContact O-N 2.96Å; S120-V122 CarbonylContact O-C 3.58Å; S120-V122 PolarHBondContact O-N 2.82Å; S120-V122 PolarHBondContact OG-N 3.14Å; S120-E123 PolarHBondContact N-OE2 2.89Å; S120-E123 VanDerWaalsContact N-OE2 3.1Å; S120-E123 CarbonylContact O-C 3.56Å; S120-E123 WeakPolarHBondContact O-CA 3.2Å; S120-E123 WeakPolarHBondContact O-CB 3.44Å; S120-E123 PolarHBondContact O-N 3.11Å; S120-S124 PolarHBondContact O-N 3.23Å | ||
| 121 | H | 92.7 | Very high | 78.3 | Confident | 156 Ų | 156 | 106.4 Ų | 106.4 | 72% | 0.722 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -48.8 | -31.2 | 175.3 | 174.8 | -84.3 | 0 | 0 | 0 | 112.4 | V119 S124 E125 | V119-H121 PolarHBondContact O-N 3.45Å; H121-S124 WeakPolarHBondContact CA-OG 3.35Å; H121-S124 PolarHBondContact O-OG 2.91Å; H121-E125 PolarHBondContact O-N 2.81Å |
| 122 | V | 93.6 | Very high | 80.2 | Confident | 96 Ų | 96 | 107.6 Ų | 107.6 | 58% | 0.582 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69.3 | -41.2 | 174.8 | -179.6 | 0 | 0 | 0 | 0 | 112.2 | S120 R126 | S120-V122 CarbonylContact O-C 3.58Å; S120-V122 PolarHBondContact O-N 2.82Å; S120-V122 PolarHBondContact OG-N 3.14Å; V122-R126 WeakPolarHBondContact O-CB 3.42Å; V122-R126 PolarHBondContact O-N 3.21Å |
| 123 | E | 91.9 | Very high | 81.9 | Confident | 107 Ų | 107 | 104.8 Ų | 104.8 | 50% | 0.5 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -71.7 | -37.4 | 177.5 | -68.5 | 174.1 | 159.2 | 0 | 0 | 111.6 | V119 S120 R126 Q127 | V119-E123 HydrophobicContact CG1-CB 3.37Å; S120-E123 PolarHBondContact N-OE2 2.89Å; S120-E123 VanDerWaalsContact N-OE2 3.1Å; S120-E123 CarbonylContact O-C 3.56Å; S120-E123 WeakPolarHBondContact O-CA 3.2Å; S120-E123 WeakPolarHBondContact O-CB 3.44Å; S120-E123 PolarHBondContact O-N 3.11Å; E123-R126 WeakPolarHBondContact O-CB 3.18Å; E123-R126 PolarHBondContact O-N 2.89Å; E123-Q127 WeakPolarHBondContact O-CB 3.36Å; E123-Q127 PolarHBondContact O-N 3Å |
| 124 | S | 89.8 | Confident | 83.8 | Confident | 50 Ų | 50 | 101.9 Ų | 101.9 | 35% | 0.35 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66 | -43.6 | 177.2 | 65.8 | 0 | 0 | 0 | 0 | 111.7 | S120 H121 Q127 R128 | S120-S124 PolarHBondContact O-N 3.23Å; H121-S124 WeakPolarHBondContact CA-OG 3.35Å; H121-S124 PolarHBondContact O-OG 2.91Å; S124-Q127 PolarHBondContact O-N 3.21Å; S124-R128 PolarHBondContact O-N 2.81Å |
| 125 | E | 95.2 | Very high | 85.6 | Confident | 52 Ų | 52 | 98.2 Ų | 98.2 | 24% | 0.243 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -68 | -34.5 | 173.9 | 173.3 | 58.9 | -172 | 0 | 0 | 112.1 | H121 R128 R129 | H121-E125 PolarHBondContact O-N 2.81Å; E125-R128 PolarHBondContact O-N 3.06Å; E125-R128 IonicContact OE1-NH1 3.44Å; E125-R128 PolarHBondContact OE1-NH1 2.76Å; E125-R128 WeakPolarHBondContact OE2-CD 3.36Å; E125-R128 IonicContact OE2-NH1 3.14Å; E125-R128 PolarHBondContact OE2-NH1 2.92Å; E125-R128 VanDerWaalsContact OE2-NH1 3.14Å; E125-R129 WeakPolarHBondContact O-CG 3.33Å; E125-R129 PolarHBondContact O-N 2.79Å; E125-R129 IonicContact OE1-CZ 2.99Å; E125-R129 IonicContact OE1-NE 3.49Å; E125-R129 PolarHBondContact OE1-NE 2.88Å; E125-R129 IonicContact OE1-NH2 3.57Å; E125-R129 PolarHBondContact OE1-NH2 2.82Å; E125-R129 VanDerWaalsContact OE1-NH2 3.12Å |
| 126 | R | 96.4 | Very high | 87.8 | Confident | 146 Ų | 146 | 93.5 Ų | 93.5 | 55% | 0.551 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -59 | -50.9 | 171.1 | 173.9 | -173.9 | -60.1 | -79.2 | -0.5 | 110.7 | V122 E123 R128 R129 E130 | V122-R126 WeakPolarHBondContact O-CB 3.42Å; V122-R126 PolarHBondContact O-N 3.21Å; E123-R126 WeakPolarHBondContact O-CB 3.18Å; E123-R126 PolarHBondContact O-N 2.89Å; R126-R128 VanDerWaalsContact C-N 3.29Å; R126-R128 PolarHBondContact O-N 3.46Å; R126-R129 PolarHBondContact O-N 3.39Å; R126-R129 VanDerWaalsContact O-N 3.12Å; R126-E130 WeakPolarHBondContact CD-OE1 3.38Å; R126-E130 HydrophobicContact CG-CG 4.48Å; R126-E130 WeakPolarHBondContact CG-OE1 3.48Å; R126-E130 WeakPolarHBondContact O-CG 3.35Å; R126-E130 PolarHBondContact O-N 2.75Å |
| 127 | Q | 93.3 | Very high | 89.5 | Confident | 113 Ų | 113 | 94.5 Ų | 94.5 | 53% | 0.528 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59.4 | -41.7 | 178.6 | -172.9 | 178.1 | 23.7 | 0 | 0 | 111.3 | E123 S124 R129 E130 K131 | E123-Q127 WeakPolarHBondContact O-CB 3.36Å; E123-Q127 PolarHBondContact O-N 3Å; S124-Q127 PolarHBondContact O-N 3.21Å; Q127-R129 PolarHBondContact O-N 3.3Å; Q127-E130 PolarHBondContact O-N 2.83Å; Q127-K131 WeakPolarHBondContact O-CB 3.44Å; Q127-K131 PolarHBondContact O-N 2.65Å |
| 128 | R | 96.3 | Very high | 91.1 | Very high | 150 Ų | 150 | 90.7 Ų | 90.7 | 57% | 0.566 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -58.4 | -45 | 174.5 | 178.6 | 175 | 167.2 | -81.1 | -6.6 | 112.1 | S124 E125 R126 L132 | S124-R128 PolarHBondContact O-N 2.81Å; E125-R128 PolarHBondContact O-N 3.06Å; E125-R128 IonicContact OE1-NH1 3.44Å; E125-R128 PolarHBondContact OE1-NH1 2.76Å; E125-R128 WeakPolarHBondContact OE2-CD 3.36Å; E125-R128 IonicContact OE2-NH1 3.14Å; E125-R128 PolarHBondContact OE2-NH1 2.92Å; E125-R128 VanDerWaalsContact OE2-NH1 3.14Å; R126-R128 VanDerWaalsContact C-N 3.29Å; R126-R128 PolarHBondContact O-N 3.46Å; R128-L132 WeakPolarHBondContact O-CB 3.33Å; R128-L132 PolarHBondContact O-N 2.77Å |
| 129 | R | 96.9 | Very high | 92.7 | Very high | 149 Ų | 149 | 87.6 Ų | 87.6 | 56% | 0.562 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -67.3 | -39.8 | 177.9 | -71.2 | 177.6 | -173.8 | -173.9 | 3.2 | 112.6 | E125 R126 Q127 L132 N133 | E125-R129 WeakPolarHBondContact O-CG 3.33Å; E125-R129 PolarHBondContact O-N 2.79Å; E125-R129 IonicContact OE1-CZ 2.99Å; E125-R129 IonicContact OE1-NE 3.49Å; E125-R129 PolarHBondContact OE1-NE 2.88Å; E125-R129 IonicContact OE1-NH2 3.57Å; E125-R129 PolarHBondContact OE1-NH2 2.82Å; E125-R129 VanDerWaalsContact OE1-NH2 3.12Å; R126-R129 PolarHBondContact O-N 3.39Å; R126-R129 VanDerWaalsContact O-N 3.12Å; Q127-R129 PolarHBondContact O-N 3.3Å; R129-L132 PolarHBondContact O-N 3.06Å; R129-N133 WeakPolarHBondContact O-CB 3.4Å; R129-N133 VanDerWaalsContact O-CG 3.24Å; R129-N133 PolarHBondContact O-N 2.85Å; R129-N133 PolarHBondContact O-ND2 2.9Å |
| 130 | E | 96.3 | Very high | 93.9 | Very high | 108 Ų | 108 | 88 Ų | 88 | 51% | 0.505 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.9 | -46.5 | 176 | -73.8 | 170.4 | -168.1 | 0 | 0 | 111.1 | R126 Q127 L132 N133 R134 | R126-E130 WeakPolarHBondContact CD-OE1 3.38Å; R126-E130 HydrophobicContact CG-CG 4.48Å; R126-E130 WeakPolarHBondContact CG-OE1 3.48Å; R126-E130 WeakPolarHBondContact O-CG 3.35Å; R126-E130 PolarHBondContact O-N 2.75Å; Q127-E130 PolarHBondContact O-N 2.83Å; E130-L132 PolarHBondContact O-N 2.82Å; E130-N133 PolarHBondContact O-N 3.45Å; E130-R134 PolarHBondContact O-N 2.98Å |
| 131 | K | 93.7 | Very high | 94.2 | Very high | 60 Ų | 60 | 89.5 Ų | 89.5 | 26% | 0.261 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -57.1 | -48 | 173.9 | -171.6 | -179 | -169.1 | 179.3 | 0 | 111.6 | D42 D43 Q127 N133 R134 R135 | D42-K131 PolarHBondContact O-NZ 3.07Å; D43-K131 IonicContact OD1-NZ 3.11Å; D43-K131 PolarHBondContact OD1-NZ 3.36Å; Q127-K131 WeakPolarHBondContact O-CB 3.44Å; Q127-K131 PolarHBondContact O-N 2.65Å; K131-N133 PolarHBondContact O-N 3.36Å; K131-R134 PolarHBondContact O-N 2.96Å; K131-R135 PolarHBondContact O-N 3.4Å; K131-R135 VanDerWaalsContact O-N 3.13Å |
| 132 | L | 94.9 | Very high | 94.3 | Very high | 73 Ų | 73 | 85 Ų | 85 | 38% | 0.382 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 178.1 | -174.6 | 66.5 | 0 | 0 | 0 | 111.5 | R128 R129 E130 R134 R135 F136 | R128-L132 WeakPolarHBondContact O-CB 3.33Å; R128-L132 PolarHBondContact O-N 2.77Å; R129-L132 PolarHBondContact O-N 3.06Å; E130-L132 PolarHBondContact O-N 2.82Å; L132-R134 VanDerWaalsContact C-N 3.33Å; L132-R134 PolarHBondContact O-N 3.29Å; L132-R135 PolarHBondContact O-N 3.3Å; L132-F136 HydrophobicContact CD1-CD2 4.32Å; L132-F136 HydrophobicContact CD1-CE2 3.98Å; L132-F136 HydrophobicContact CD2-CE2 4.33Å; L132-F136 HydrophobicContact CG-CD2 4.03Å; L132-F136 HydrophobicContact CG-CE2 3.9Å; L132-F136 VanDerWaalsContact O-CD2 3.32Å; L132-F136 WeakPolarHBondContact O-CD2 3.47Å; L132-F136 PolarHBondContact O-N 2.87Å |
| 133 | N | 95.3 | Very high | 94.3 | Very high | 75 Ų | 75 | 80.9 Ų | 80.9 | 40% | 0.401 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.8 | -35.5 | 179.4 | -73.4 | -21.7 | 0 | 0 | 0 | 112.4 | R129 E130 K131 F136 C137 K151 | R129-N133 WeakPolarHBondContact O-CB 3.4Å; R129-N133 VanDerWaalsContact O-CG 3.24Å; R129-N133 PolarHBondContact O-N 2.85Å; R129-N133 PolarHBondContact O-ND2 2.9Å; E130-N133 PolarHBondContact O-N 3.45Å; K131-N133 PolarHBondContact O-N 3.36Å; N133-F136 WeakPolarHBondContact O-CB 3.5Å; N133-F136 PolarHBondContact O-N 2.79Å; N133-C137 PolarHBondContact O-N 3.3Å; N133-C137 PolarHBondContact O-SG 3.44Å; N133-C137 VanDerWaalsContact O-SG 3.39Å; N133-K151 PolarHBondContact OD1-NZ 2.82Å; N133-K151 VanDerWaalsContact OD1-NZ 3.11Å |
| 134 | R | 94.2 | Very high | 94.4 | Very high | 135 Ų | 135 | 80 Ų | 80 | 51% | 0.509 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.2 | -50 | 171.6 | -177 | 177 | 176.1 | 178.3 | -3.8 | 111.3 | E130 K131 L132 F136 C137 D138 | E130-R134 PolarHBondContact O-N 2.98Å; K131-R134 PolarHBondContact O-N 2.96Å; L132-R134 VanDerWaalsContact C-N 3.33Å; L132-R134 PolarHBondContact O-N 3.29Å; R134-F136 VanDerWaalsContact C-N 3.26Å; R134-F136 PolarHBondContact O-N 3.06Å; R134-C137 WeakPolarHBondContact O-CA 3.45Å; R134-C137 WeakPolarHBondContact O-CB 3.3Å; R134-C137 PolarHBondContact O-N 2.91Å; R134-D138 PolarHBondContact O-N 2.8Å |
| 135 | R | 94.5 | Very high | 94.5 | Very high | 57 Ų | 57 | 82.5 Ų | 82.5 | 22% | 0.215 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -57.2 | -37.5 | 175.8 | -65.7 | -175.8 | -175.1 | -103.4 | 7.2 | 112.3 | W39 D43 K131 L132 D138 L139 | W39-R135 PolarHBondContact O-NH1 2.93Å; D43-R135 IonicContact OD1-NH2 2.6Å; D43-R135 IonicContact OD2-CZ 2.65Å; D43-R135 IonicContact OD2-NH2 3.78Å; D43-R135 PolarHBondContact OD2-NH2 3.4Å; K131-R135 PolarHBondContact O-N 3.4Å; K131-R135 VanDerWaalsContact O-N 3.13Å; L132-R135 PolarHBondContact O-N 3.3Å; R135-D138 PolarHBondContact O-N 2.83Å; R135-L139 WeakPolarHBondContact O-CB 3.43Å; R135-L139 PolarHBondContact O-N 3Å |
| 136 | F | 95 | Very high | 94.3 | Very high | 26 Ų | 26 | 82.5 Ų | 82.5 | 11% | 0.114 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65.8 | -36.9 | 173.5 | -89 | -79 | 0 | 0 | 0 | 113.1 | L132 N133 R134 R140 K151 L154 L155 | L132-F136 HydrophobicContact CD1-CD2 4.32Å; L132-F136 HydrophobicContact CD1-CE2 3.98Å; L132-F136 HydrophobicContact CD2-CE2 4.33Å; L132-F136 HydrophobicContact CG-CD2 4.03Å; L132-F136 HydrophobicContact CG-CE2 3.9Å; L132-F136 VanDerWaalsContact O-CD2 3.32Å; L132-F136 WeakPolarHBondContact O-CD2 3.47Å; L132-F136 PolarHBondContact O-N 2.87Å; N133-F136 WeakPolarHBondContact O-CB 3.5Å; N133-F136 PolarHBondContact O-N 2.79Å; R134-F136 VanDerWaalsContact C-N 3.26Å; R134-F136 PolarHBondContact O-N 3.06Å; F136-R140 WeakPolarHBondContact O-CG 3.32Å; F136-R140 PolarHBondContact O-N 3.44Å; F136-K151 HydrophobicContact CD1-CB 4.44Å; F136-K151 HydrophobicContact CD1-CD 4.48Å; F136-K151 HydrophobicContact CD1-CG 4.09Å; F136-K151 HydrophobicContact CD2-CD 4.36Å; F136-K151 HydrophobicContact CE1-CB 3.73Å; F136-K151 HydrophobicContact CE1-CD 4.11Å; F136-K151 HydrophobicContact CE1-CG 3.79Å; F136-K151 HydrophobicContact CE2-CD 3.96Å; F136-K151 HydrophobicContact CZ-CB 4.03Å; F136-K151 HydrophobicContact CZ-CD 3.84Å; F136-K151 HydrophobicContact CZ-CG 4.04Å; F136-L154 HydrophobicContact CD1-CD2 3.9Å; F136-L155 HydrophobicContact CE1-CD2 4.39Å; F136-L155 HydrophobicContact CE1-CG 4.31Å; F136-L155 HydrophobicContact CZ-CD1 4.49Å |
| 137 | C | 93 | Very high | 94.1 | Very high | 71 Ų | 71 | 79.9 Ų | 79.9 | 48% | 0.48 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.1 | -45.5 | 174.2 | -67.9 | 0 | 0 | 0 | 0 | 111.4 | N133 R134 L139 R140 A141 | N133-C137 PolarHBondContact O-N 3.3Å; N133-C137 PolarHBondContact O-SG 3.44Å; N133-C137 VanDerWaalsContact O-SG 3.39Å; R134-C137 WeakPolarHBondContact O-CA 3.45Å; R134-C137 WeakPolarHBondContact O-CB 3.3Å; R134-C137 PolarHBondContact O-N 2.91Å; C137-L139 VanDerWaalsContact C-N 3.31Å; C137-L139 PolarHBondContact O-N 3.26Å; C137-R140 PolarHBondContact O-N 2.93Å; C137-A141 PolarHBondContact O-N 3.39Å |
| 138 | D | 94.1 | Very high | 93.9 | Very high | 44 Ų | 44 | 82.2 Ų | 82.2 | 24% | 0.235 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63 | -40.3 | 177.8 | -58 | -24.3 | 0 | 0 | 0 | 110.9 | Q38 W39 R134 R135 R140 A141 A142 | Q38-D138 PolarHBondContact NE2-OD2 3.44Å; W39-D138 HydrophobicContact CH2-CB 4.16Å; W39-D138 HydrophobicContact CZ2-CB 3.33Å; R134-D138 PolarHBondContact O-N 2.8Å; R135-D138 PolarHBondContact O-N 2.83Å; D138-R140 VanDerWaalsContact C-N 3.33Å; D138-R140 PolarHBondContact O-N 3.34Å; D138-A141 WeakPolarHBondContact O-CB 3.1Å; D138-A141 PolarHBondContact O-N 3.01Å; D138-A141 VanDerWaalsContact O-N 3.1Å; D138-A142 PolarHBondContact O-N 3Å; D138-A142 VanDerWaalsContact O-N 3.11Å |
| 139 | L | 95.1 | Very high | 93.6 | Very high | 33 Ų | 33 | 82.7 Ų | 82.7 | 17% | 0.173 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -60.3 | -40.6 | 175.5 | -173.8 | 59.6 | 0 | 0 | 0 | 112.2 | W39 R135 C137 A141 A142 V143 L154 L155 A158 | W39-L139 HydrophobicContact CH2-CB 3.95Å; W39-L139 HydrophobicContact CH2-CD1 4.3Å; R135-L139 WeakPolarHBondContact O-CB 3.43Å; R135-L139 PolarHBondContact O-N 3Å; C137-L139 VanDerWaalsContact C-N 3.31Å; C137-L139 PolarHBondContact O-N 3.26Å; L139-A141 PolarHBondContact O-N 2.91Å; L139-A142 PolarHBondContact O-N 3.11Å; L139-V143 HydrophobicContact CD1-CG2 3.97Å; L139-V143 HydrophobicContact CG-CG2 4.31Å; L139-V143 WeakPolarHBondContact O-CG2 3.32Å; L139-V143 PolarHBondContact O-N 3.33Å; L139-V143 VanDerWaalsContact O-N 3.1Å; L139-L154 HydrophobicContact CB-CD2 4.2Å; L139-L154 HydrophobicContact CD2-CD2 3.93Å; L139-L154 HydrophobicContact CD2-CG 3.98Å; L139-L154 HydrophobicContact CG-CD1 4.49Å; L139-L154 HydrophobicContact CG-CD2 4.08Å; L139-L154 HydrophobicContact CG-CG 4.18Å; L139-L155 HydrophobicContact CD2-CD2 4.07Å; L139-A158 HydrophobicContact CD1-CB 4.05Å; L139-A158 HydrophobicContact CD2-CB 4.31Å; L139-A158 HydrophobicContact CG-CB 4.47Å |
| 140 | R | 94.1 | Very high | 93.5 | Very high | 88 Ų | 88 | 78.7 Ų | 78.7 | 33% | 0.332 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.2 | -31.7 | 175.7 | -72.4 | -170.1 | -169.2 | 106.5 | -6.1 | 112.7 | F136 C137 D138 M149 L154 | F136-R140 WeakPolarHBondContact O-CG 3.32Å; F136-R140 PolarHBondContact O-N 3.44Å; C137-R140 PolarHBondContact O-N 2.93Å; D138-R140 VanDerWaalsContact C-N 3.33Å; D138-R140 PolarHBondContact O-N 3.34Å; R140-M149 PolarHBondContact NH2-O 3.09Å; R140-L154 HydrophobicContact CG-CD1 3.84Å; R140-L154 HydrophobicContact CG-CD2 3.47Å; R140-L154 VanDerWaalsContact CG-CD2 3.47Å; R140-L154 HydrophobicContact CG-CG 4.28Å |
| 141 | A | 92.9 | Very high | 93.5 | Very high | 91 Ų | 91 | 78.1 Ų | 78.1 | 75% | 0.752 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -74.4 | -30.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | C137 D138 L139 | C137-A141 PolarHBondContact O-N 3.39Å; D138-A141 WeakPolarHBondContact O-CB 3.1Å; D138-A141 PolarHBondContact O-N 3.01Å; D138-A141 VanDerWaalsContact O-N 3.1Å; L139-A141 PolarHBondContact O-N 2.91Å |
| 142 | A | 93.8 | Very high | 93.6 | Very high | 60 Ų | 60 | 78.6 Ų | 78.6 | 50% | 0.496 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -83.3 | -28.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D138 L139 | D138-A142 PolarHBondContact O-N 3Å; D138-A142 VanDerWaalsContact O-N 3.11Å; L139-A142 PolarHBondContact O-N 3.11Å |
| 143 | V | 94.4 | Very high | 93.7 | Very high | 10 Ų | 10 | 76.2 Ų | 76.2 | 6% | 0.061 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -87.8 | 120.5 | -179.7 | -179.4 | 0 | 0 | 0 | 0 | 109.9 | L139 T145 D157 A158 | L139-V143 HydrophobicContact CD1-CG2 3.97Å; L139-V143 HydrophobicContact CG-CG2 4.31Å; L139-V143 WeakPolarHBondContact O-CG2 3.32Å; L139-V143 PolarHBondContact O-N 3.33Å; L139-V143 VanDerWaalsContact O-N 3.1Å; V143-T145 VanDerWaalsContact C-N 3.3Å; V143-T145 WeakPolarHBondContact CG1-O 3.35Å; V143-T145 PolarHBondContact O-N 2.78Å; V143-D157 HydrophobicContact CG1-CB 4.22Å; V143-A158 HydrophobicContact CG2-CB 3.78Å |
| 144 | P | 94.2 | Very high | 93.8 | Very high | 89 Ų | 89 | 72.6 Ų | 72.6 | 58% | 0.578 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -63.7 | -32.1 | -174.4 | -24.4 | 33.9 | 0 | 0 | 0 | 114.5 | Y161 | P144-Y161 HydrophobicContact CG-CD2 4.2Å; P144-Y161 HydrophobicContact CG-CE1 4.05Å; P144-Y161 HydrophobicContact CG-CE2 3.65Å |
| 145 | T | 90.6 | Very high | 93.9 | Very high | 102 Ų | 102 | 70.7 Ų | 70.7 | 63% | 0.626 | 40% | 0.4 | S | S | * | . | trans | -126.9 | 116 | -177.6 | 55.5 | 0 | 0 | 0 | 0 | 109.8 | V143 | V143-T145 VanDerWaalsContact C-N 3.3Å; V143-T145 WeakPolarHBondContact CG1-O 3.35Å; V143-T145 PolarHBondContact O-N 2.78Å | ||
| 146 | V | 91.6 | Very high | 94 | Very high | 53 Ų | 53 | 70.5 Ų | 70.5 | 32% | 0.321 | 41% | 0.411 | S | S | . | . | trans | -110 | 107.7 | 173.1 | -179.8 | 0 | 0 | 0 | 0 | 107.8 | R148 L154 | V146-R148 WeakPolarHBondContact CG1-O 3.5Å; V146-L154 HydrophobicContact CB-CD1 4.45Å; V146-L154 HydrophobicContact CG1-CD1 4Å; V146-L154 HydrophobicContact CG2-CD1 3.66Å | ||
| 147 | S | 91 | Very high | 94.1 | Very high | 90 Ų | 90 | 70.8 Ų | 70.8 | 63% | 0.629 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -65.3 | -41.6 | -177.5 | 177.7 | 0 | 0 | 0 | 0 | 111.5 | D157 | S147-D157 WeakPolarHBondContact CB-OD2 3.14Å; S147-D157 PolarHBondContact N-OD2 2.83Å |
| 148 | R | 90.9 | Very high | 94.3 | Very high | 163 Ų | 163 | 67.9 Ų | 67.9 | 62% | 0.615 | 40% | 0.395 | S | S | * | . | trans | -143.3 | 149.7 | 177.1 | -62 | 179.6 | 177.3 | 167.7 | -0.2 | 111.2 | V146 D150 | V146-R148 WeakPolarHBondContact CG1-O 3.5Å; R148-D150 WeakPolarHBondContact CB-OD1 3.37Å; R148-D150 WeakPolarHBondContact CD-OD1 3.01Å; R148-D150 PolarHBondContact O-N 2.76Å | ||
| 149 | M | 90 | Very high | 94.4 | Very high | 159 Ų | 159 | 68.6 Ų | 68.6 | 78% | 0.783 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -73.2 | -6.3 | 179.2 | -89.3 | 142.4 | 56.3 | 0 | 0 | 114.5 | R140 | R140-M149 PolarHBondContact NH2-O 3.09Š|
| 150 | D | 94.7 | Very high | 94.5 | Very high | 66 Ų | 66 | 70.7 Ų | 70.7 | 35% | 0.353 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -73.2 | 156.6 | 176.1 | 75 | -91.7 | 0 | 0 | 0 | 112.3 | R148 A152 S153 L154 | R148-D150 WeakPolarHBondContact CB-OD1 3.37Å; R148-D150 WeakPolarHBondContact CD-OD1 3.01Å; R148-D150 PolarHBondContact O-N 2.76Å; D150-A152 PolarHBondContact O-N 3.01Å; D150-A152 PolarHBondContact OD2-N 3.33Å; D150-A152 VanDerWaalsContact OD2-N 3.12Å; D150-S153 VanDerWaalsContact OD1-CB 3.32Å; D150-S153 WeakPolarHBondContact OD1-CB 3.29Å; D150-S153 PolarHBondContact OD1-OG 3.48Å; D150-S153 PolarHBondContact OD2-N 3.01Å; D150-S153 PolarHBondContact OD2-OG 3.36Å; D150-S153 VanDerWaalsContact OD2-OG 3.05Å; D150-L154 PolarHBondContact O-N 3.25Å |
| 151 | K | 95.6 | Very high | 94.7 | Very high | 95 Ų | 95 | 69.6 Ų | 69.6 | 41% | 0.413 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68.3 | -34.3 | -173.2 | -66.9 | -173.4 | 175.7 | -169.3 | 0 | 112.9 | N133 F136 L155 | N133-K151 PolarHBondContact OD1-NZ 2.82Å; N133-K151 VanDerWaalsContact OD1-NZ 3.11Å; F136-K151 HydrophobicContact CD1-CB 4.44Å; F136-K151 HydrophobicContact CD1-CD 4.48Å; F136-K151 HydrophobicContact CD1-CG 4.09Å; F136-K151 HydrophobicContact CD2-CD 4.36Å; F136-K151 HydrophobicContact CE1-CB 3.73Å; F136-K151 HydrophobicContact CE1-CD 4.11Å; F136-K151 HydrophobicContact CE1-CG 3.79Å; F136-K151 HydrophobicContact CE2-CD 3.96Å; F136-K151 HydrophobicContact CZ-CB 4.03Å; F136-K151 HydrophobicContact CZ-CD 3.84Å; F136-K151 HydrophobicContact CZ-CG 4.04Å; K151-L155 VanDerWaalsContact O-CG 3.31Å; K151-L155 WeakPolarHBondContact O-CG 3.34Å; K151-L155 PolarHBondContact O-N 3.41Å |
| 152 | A | 96.7 | Very high | 94.9 | Very high | 71 Ų | 71 | 69.4 Ų | 69.4 | 59% | 0.587 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -72.7 | -46 | -175.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | D150 L154 L155 A156 | D150-A152 PolarHBondContact O-N 3.01Å; D150-A152 PolarHBondContact OD2-N 3.33Å; D150-A152 VanDerWaalsContact OD2-N 3.12Å; A152-L154 PolarHBondContact O-N 2.86Å; A152-L155 PolarHBondContact O-N 3.45Å; A152-A156 PolarHBondContact O-N 2.83Å; A152-A156 VanDerWaalsContact O-N 3.09Å |
| 153 | S | 96.2 | Very high | 95.1 | Very high | 22 Ų | 22 | 69.5 Ų | 69.5 | 15% | 0.154 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 177 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | D150 L155 A156 D157 | D150-S153 VanDerWaalsContact OD1-CB 3.32Å; D150-S153 WeakPolarHBondContact OD1-CB 3.29Å; D150-S153 PolarHBondContact OD1-OG 3.48Å; D150-S153 PolarHBondContact OD2-N 3.01Å; D150-S153 PolarHBondContact OD2-OG 3.36Å; D150-S153 VanDerWaalsContact OD2-OG 3.05Å; S153-L155 VanDerWaalsContact C-N 3.31Å; S153-L155 PolarHBondContact O-N 2.88Å; S153-A156 PolarHBondContact O-N 2.86Å; S153-A156 VanDerWaalsContact O-N 3.16Å; S153-D157 VanDerWaalsContact O-CG 3.25Å; S153-D157 PolarHBondContact O-N 3.27Å |
| 154 | L | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -59.4 | -40.5 | 176.6 | -178.8 | 65.5 | 0 | 0 | 0 | 112.8 | F136 L139 R140 V146 D150 A152 D157 A158 | F136-L154 HydrophobicContact CD1-CD2 3.9Å; L139-L154 HydrophobicContact CB-CD2 4.2Å; L139-L154 HydrophobicContact CD2-CD2 3.93Å; L139-L154 HydrophobicContact CD2-CG 3.98Å; L139-L154 HydrophobicContact CG-CD1 4.49Å; L139-L154 HydrophobicContact CG-CD2 4.08Å; L139-L154 HydrophobicContact CG-CG 4.18Å; R140-L154 HydrophobicContact CG-CD1 3.84Å; R140-L154 HydrophobicContact CG-CD2 3.47Å; R140-L154 VanDerWaalsContact CG-CD2 3.47Å; R140-L154 HydrophobicContact CG-CG 4.28Å; V146-L154 HydrophobicContact CB-CD1 4.45Å; V146-L154 HydrophobicContact CG1-CD1 4Å; V146-L154 HydrophobicContact CG2-CD1 3.66Å; D150-L154 PolarHBondContact O-N 3.25Å; A152-L154 PolarHBondContact O-N 2.86Å; L154-D157 PolarHBondContact O-N 3.13Å; L154-A158 WeakPolarHBondContact O-CB 3.44Å; L154-A158 PolarHBondContact O-N 3.15Å |
| 155 | L | 97.3 | Very high | 95.3 | Very high | 94 Ų | 94 | 72.3 Ų | 72.3 | 49% | 0.492 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67.2 | -38.1 | 177.9 | -68.9 | 172.8 | 0 | 0 | 0 | 111.6 | F136 L139 K151 A152 S153 A159 | F136-L155 HydrophobicContact CE1-CD2 4.39Å; F136-L155 HydrophobicContact CE1-CG 4.31Å; F136-L155 HydrophobicContact CZ-CD1 4.49Å; L139-L155 HydrophobicContact CD2-CD2 4.07Å; K151-L155 VanDerWaalsContact O-CG 3.31Å; K151-L155 WeakPolarHBondContact O-CG 3.34Å; K151-L155 PolarHBondContact O-N 3.41Å; A152-L155 PolarHBondContact O-N 3.45Å; S153-L155 VanDerWaalsContact C-N 3.31Å; S153-L155 PolarHBondContact O-N 2.88Å; L155-A159 WeakPolarHBondContact O-CB 3.4Å; L155-A159 PolarHBondContact O-N 3.03Å |
| 156 | A | 96.7 | Very high | 95.7 | Very high | 54 Ų | 54 | 76.1 Ų | 76.1 | 45% | 0.446 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A152 S153 A159 S160 | A152-A156 PolarHBondContact O-N 2.83Å; A152-A156 VanDerWaalsContact O-N 3.09Å; S153-A156 PolarHBondContact O-N 2.86Å; S153-A156 VanDerWaalsContact O-N 3.16Å; A156-A159 PolarHBondContact O-N 2.96Å; A156-S160 WeakPolarHBondContact O-CB 3.41Å; A156-S160 PolarHBondContact O-N 3.48Å; A156-S160 PolarHBondContact O-OG 2.84Å |
| 157 | D | 97.1 | Very high | 95.9 | Very high | 32 Ų | 32 | 75.7 Ų | 75.7 | 17% | 0.171 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 176.1 | -66.6 | -23.8 | 0 | 0 | 0 | 110.8 | V143 S147 S153 L154 A159 S160 Y161 | V143-D157 HydrophobicContact CG1-CB 4.22Å; S147-D157 WeakPolarHBondContact CB-OD2 3.14Å; S147-D157 PolarHBondContact N-OD2 2.83Å; S153-D157 VanDerWaalsContact O-CG 3.25Å; S153-D157 PolarHBondContact O-N 3.27Å; L154-D157 PolarHBondContact O-N 3.13Å; D157-A159 PolarHBondContact O-N 2.92Å; D157-S160 PolarHBondContact O-N 2.9Å; D157-Y161 WeakPolarHBondContact O-CB 3.42Å; D157-Y161 PolarHBondContact O-N 3.44Å |
| 158 | A | 96.9 | Very high | 96.2 | Very high | 10 Ų | 10 | 76.5 Ų | 76.5 | 8% | 0.083 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L139 V143 L154 S160 Y161 I162 | L139-A158 HydrophobicContact CD1-CB 4.05Å; L139-A158 HydrophobicContact CD2-CB 4.31Å; L139-A158 HydrophobicContact CG-CB 4.47Å; V143-A158 HydrophobicContact CG2-CB 3.78Å; L154-A158 WeakPolarHBondContact O-CB 3.44Å; L154-A158 PolarHBondContact O-N 3.15Å; A158-S160 VanDerWaalsContact C-N 3.32Å; A158-S160 PolarHBondContact O-N 3.46Å; A158-Y161 PolarHBondContact O-N 2.78Å; A158-I162 WeakPolarHBondContact O-CG1 3.44Å; A158-I162 PolarHBondContact O-N 2.86Å |
| 159 | A | 97 | Very high | 96.5 | Very high | 59 Ų | 59 | 72.5 Ų | 72.5 | 49% | 0.488 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | L155 A156 D157 I162 A163 | L155-A159 WeakPolarHBondContact O-CB 3.4Å; L155-A159 PolarHBondContact O-N 3.03Å; A156-A159 PolarHBondContact O-N 2.96Å; D157-A159 PolarHBondContact O-N 2.92Å; A159-I162 PolarHBondContact O-N 2.81Å; A159-A163 PolarHBondContact O-N 2.91Å; A159-A163 VanDerWaalsContact O-N 3.07Å |
| 160 | S | 96.8 | Very high | 96.7 | Very high | 77 Ų | 77 | 67.4 Ų | 67.4 | 54% | 0.538 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 176.5 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | A156 D157 A158 I162 A163 E164 | A156-S160 WeakPolarHBondContact O-CB 3.41Å; A156-S160 PolarHBondContact O-N 3.48Å; A156-S160 PolarHBondContact O-OG 2.84Å; D157-S160 PolarHBondContact O-N 2.9Å; A158-S160 VanDerWaalsContact C-N 3.32Å; A158-S160 PolarHBondContact O-N 3.46Å; S160-I162 PolarHBondContact O-N 2.85Å; S160-A163 PolarHBondContact O-N 2.88Å; S160-E164 PolarHBondContact O-N 2.72Å |
| 161 | Y | 97.2 | Very high | 96.7 | Very high | 64 Ų | 64 | 71.3 Ų | 71.3 | 25% | 0.251 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 177 | -176.1 | -126.7 | 0 | 0 | 0 | 112.3 | P144 D157 A158 A163 E164 L165 | P144-Y161 HydrophobicContact CG-CD2 4.2Å; P144-Y161 HydrophobicContact CG-CE1 4.05Å; P144-Y161 HydrophobicContact CG-CE2 3.65Å; D157-Y161 WeakPolarHBondContact O-CB 3.42Å; D157-Y161 PolarHBondContact O-N 3.44Å; A158-Y161 PolarHBondContact O-N 2.78Å; Y161-A163 PolarHBondContact O-N 2.91Å; Y161-E164 PolarHBondContact O-N 3.36Å; Y161-L165 HydrophobicContact CD1-CD1 4.03Å; Y161-L165 HydrophobicContact CD2-CG 4.29Å; Y161-L165 HydrophobicContact CE1-CD1 3.59Å; Y161-L165 HydrophobicContact CE1-CG 4.22Å; Y161-L165 HydrophobicContact CE2-CD1 4.22Å; Y161-L165 HydrophobicContact CE2-CD2 4.01Å; Y161-L165 HydrophobicContact CE2-CG 3.92Å; Y161-L165 WeakPolarHBondContact O-CG 3.4Å; Y161-L165 PolarHBondContact O-N 2.88Å |
| 162 | I | 97.3 | Very high | 96.6 | Very high | 87 Ų | 87 | 72 Ų | 72 | 45% | 0.446 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 173.6 | -69 | 165.7 | 0 | 0 | 0 | 111.1 | A158 A159 S160 E164 L165 R166 | A158-I162 WeakPolarHBondContact O-CG1 3.44Å; A158-I162 PolarHBondContact O-N 2.86Å; A159-I162 PolarHBondContact O-N 2.81Å; S160-I162 PolarHBondContact O-N 2.85Å; I162-E164 VanDerWaalsContact C-N 3.34Å; I162-L165 PolarHBondContact O-N 3.45Å; I162-R166 VanDerWaalsContact O-CG 3.31Å; I162-R166 WeakPolarHBondContact O-CG 3.49Å; I162-R166 PolarHBondContact O-N 3.49Å |
| 163 | A | 97.5 | Very high | 96.2 | Very high | 62 Ų | 62 | 73.4 Ų | 73.4 | 51% | 0.512 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A159 S160 Y161 R166 G167 | A159-A163 PolarHBondContact O-N 2.91Å; A159-A163 VanDerWaalsContact O-N 3.07Å; S160-A163 PolarHBondContact O-N 2.88Å; Y161-A163 PolarHBondContact O-N 2.91Å; A163-R166 PolarHBondContact O-N 3.03Å; A163-G167 PolarHBondContact O-N 2.79Å |
| 164 | E | 97.1 | Very high | 95.8 | Very high | 93 Ų | 93 | 74.1 Ų | 74.1 | 44% | 0.435 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.9 | -48.9 | 174.8 | -173.1 | -173.4 | 176.6 | 0 | 0 | 111.9 | S160 Y161 I162 R166 G167 R168 | S160-E164 PolarHBondContact O-N 2.72Å; Y161-E164 PolarHBondContact O-N 3.36Å; I162-E164 VanDerWaalsContact C-N 3.34Å; E164-R166 VanDerWaalsContact C-N 3.32Å; E164-R166 PolarHBondContact O-N 2.98Å; E164-G167 PolarHBondContact O-N 2.6Å; E164-G167 VanDerWaalsContact O-N 3.11Å; E164-R168 HydrophobicContact CG-CG 4.49Å; E164-R168 WeakPolarHBondContact O-CG 3.35Å; E164-R168 PolarHBondContact O-N 3.02Å; E164-R168 IonicContact OE1-CZ 3.12Å; E164-R168 IonicContact OE1-NE 2.76Å; E164-R168 PolarHBondContact OE1-NE 3.5Å; E164-R168 IonicContact OE1-NH2 3.91Å; E164-R168 PolarHBondContact OE1-NH2 3.41Å |
| 165 | L | 97.5 | Very high | 95.3 | Very high | 65 Ų | 65 | 77.7 Ų | 77.7 | 34% | 0.34 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59 | -43.4 | 178.3 | -74.5 | 179.4 | 0 | 0 | 0 | 111.7 | Y161 I162 G167 R168 V169 | Y161-L165 HydrophobicContact CD1-CD1 4.03Å; Y161-L165 HydrophobicContact CD2-CG 4.29Å; Y161-L165 HydrophobicContact CE1-CD1 3.59Å; Y161-L165 HydrophobicContact CE1-CG 4.22Å; Y161-L165 HydrophobicContact CE2-CD1 4.22Å; Y161-L165 HydrophobicContact CE2-CD2 4.01Å; Y161-L165 HydrophobicContact CE2-CG 3.92Å; Y161-L165 WeakPolarHBondContact O-CG 3.4Å; Y161-L165 PolarHBondContact O-N 2.88Å; I162-L165 PolarHBondContact O-N 3.45Å; L165-G167 VanDerWaalsContact C-N 3.32Å; L165-G167 PolarHBondContact O-N 2.99Å; L165-R168 PolarHBondContact O-N 3.33Å; L165-V169 WeakPolarHBondContact O-CG2 3.09Å; L165-V169 PolarHBondContact O-N 3.47Å |
| 166 | R | 97.3 | Very high | 94.4 | Very high | 183 Ų | 183 | 77 Ų | 77 | 69% | 0.691 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -58.7 | -43.3 | 174.2 | -74.3 | 174.9 | 173.7 | -178.7 | -1.2 | 111.9 | I162 A163 E164 V169 A170 | I162-R166 VanDerWaalsContact O-CG 3.31Å; I162-R166 WeakPolarHBondContact O-CG 3.49Å; I162-R166 PolarHBondContact O-N 3.49Å; A163-R166 PolarHBondContact O-N 3.03Å; E164-R166 VanDerWaalsContact C-N 3.32Å; E164-R166 PolarHBondContact O-N 2.98Å; R166-V169 PolarHBondContact O-N 3.12Å; R166-A170 WeakPolarHBondContact O-CB 3.42Å; R166-A170 PolarHBondContact O-N 2.92Å |
| 167 | G | 97.3 | Very high | 93.5 | Very high | 43 Ų | 43 | 81.3 Ų | 81.3 | 44% | 0.443 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | A163 E164 L165 A170 R171 | A163-G167 PolarHBondContact O-N 2.79Å; E164-G167 PolarHBondContact O-N 2.6Å; E164-G167 VanDerWaalsContact O-N 3.11Å; L165-G167 VanDerWaalsContact C-N 3.32Å; L165-G167 PolarHBondContact O-N 2.99Å; G167-A170 PolarHBondContact O-N 2.89Å; G167-R171 WeakPolarHBondContact O-CB 3.44Å; G167-R171 PolarHBondContact O-N 2.87Å |
| 168 | R | 97 | Very high | 92.7 | Very high | 108 Ų | 108 | 88.2 Ų | 88.2 | 41% | 0.408 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 176.1 | -70.9 | 175.4 | -179.4 | -166.1 | 0.1 | 111.6 | E164 L165 R171 L172 | E164-R168 HydrophobicContact CG-CG 4.49Å; E164-R168 WeakPolarHBondContact O-CG 3.35Å; E164-R168 PolarHBondContact O-N 3.02Å; E164-R168 IonicContact OE1-CZ 3.12Å; E164-R168 IonicContact OE1-NE 2.76Å; E164-R168 PolarHBondContact OE1-NE 3.5Å; E164-R168 IonicContact OE1-NH2 3.91Å; E164-R168 PolarHBondContact OE1-NH2 3.41Å; L165-R168 PolarHBondContact O-N 3.33Å; R168-R171 PolarHBondContact O-N 3.19Å; R168-L172 WeakPolarHBondContact O-CB 3.37Å; R168-L172 VanDerWaalsContact O-CG 3.31Å; R168-L172 WeakPolarHBondContact O-CG 3.37Å; R168-L172 PolarHBondContact O-N 3Å |
| 169 | V | 95.7 | Very high | 91.6 | Very high | 78 Ų | 78 | 89.9 Ų | 89.9 | 47% | 0.473 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.9 | -50.5 | 175.8 | 171.3 | 0 | 0 | 0 | 0 | 110.5 | L165 R166 R171 L172 E173 | L165-V169 WeakPolarHBondContact O-CG2 3.09Å; L165-V169 PolarHBondContact O-N 3.47Å; R166-V169 PolarHBondContact O-N 3.12Å; V169-R171 VanDerWaalsContact C-N 3.29Å; V169-R171 PolarHBondContact O-N 3.23Å; V169-L172 PolarHBondContact O-N 3.46Å; V169-L172 VanDerWaalsContact O-N 3.13Å; V169-E173 HydrophobicContact CG1-CG 4.26Å; V169-E173 WeakPolarHBondContact CG1-OE1 3.47Å; V169-E173 WeakPolarHBondContact O-CG 3.15Å; V169-E173 PolarHBondContact O-N 3.15Å |
| 170 | A | 94.8 | Very high | 90.3 | Very high | 52 Ų | 52 | 88.9 Ų | 88.9 | 43% | 0.43 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -58.4 | -39.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R166 G167 A174 | R166-A170 WeakPolarHBondContact O-CB 3.42Å; R166-A170 PolarHBondContact O-N 2.92Å; G167-A170 PolarHBondContact O-N 2.89Å; A170-A174 WeakPolarHBondContact O-CB 3.37Å; A170-A174 PolarHBondContact O-N 3.32Å |
| 171 | R | 95.5 | Very high | 89.1 | Confident | 149 Ų | 149 | 88 Ų | 88 | 56% | 0.562 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64.7 | -49 | 174.4 | -176.6 | -179 | 65.5 | -167.6 | -0.6 | 111.6 | G167 R168 V169 E173 A174 D175 | G167-R171 WeakPolarHBondContact O-CB 3.44Å; G167-R171 PolarHBondContact O-N 2.87Å; R168-R171 PolarHBondContact O-N 3.19Å; V169-R171 VanDerWaalsContact C-N 3.29Å; V169-R171 PolarHBondContact O-N 3.23Å; R171-E173 VanDerWaalsContact C-N 3.34Å; R171-E173 PolarHBondContact O-N 3.18Å; R171-A174 PolarHBondContact O-N 2.86Å; R171-A174 VanDerWaalsContact O-N 3.15Å; R171-D175 WeakPolarHBondContact O-CB 3.21Å; R171-D175 VanDerWaalsContact O-CG 3.31Å; R171-D175 PolarHBondContact O-N 3.2Å |
| 172 | L | 93.2 | Very high | 87.5 | Confident | 110 Ų | 110 | 87.3 Ų | 87.3 | 58% | 0.576 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -61.9 | -40.8 | 179.8 | -73.1 | 172.5 | 0 | 0 | 0 | 112.1 | R168 V169 D175 S176 | R168-L172 WeakPolarHBondContact O-CB 3.37Å; R168-L172 VanDerWaalsContact O-CG 3.31Å; R168-L172 WeakPolarHBondContact O-CG 3.37Å; R168-L172 PolarHBondContact O-N 3Å; V169-L172 PolarHBondContact O-N 3.46Å; V169-L172 VanDerWaalsContact O-N 3.13Å; L172-D175 PolarHBondContact O-N 3.11Å; L172-S176 WeakPolarHBondContact O-CB 3.42Å; L172-S176 PolarHBondContact O-N 3.42Å |
| 173 | E | 87.2 | Confident | 85.7 | Confident | 99 Ų | 99 | 91.3 Ų | 91.3 | 46% | 0.463 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.5 | -39.6 | 173.8 | -71.3 | -179.7 | -176.8 | 0 | 0 | 112.2 | V169 R171 S176 R177 | V169-E173 HydrophobicContact CG1-CG 4.26Å; V169-E173 WeakPolarHBondContact CG1-OE1 3.47Å; V169-E173 WeakPolarHBondContact O-CG 3.15Å; V169-E173 PolarHBondContact O-N 3.15Å; R171-E173 VanDerWaalsContact C-N 3.34Å; R171-E173 PolarHBondContact O-N 3.18Å; E173-S176 PolarHBondContact O-N 2.86Å; E173-R177 WeakPolarHBondContact O-CB 3.27Å; E173-R177 WeakPolarHBondContact O-CG 3.43Å; E173-R177 PolarHBondContact O-N 3.06Å; E173-R177 IonicContact OE2-NH1 3.5Å; E173-R177 PolarHBondContact OE2-NH1 3.47Å |
| 174 | A | 87.9 | Confident | 83.8 | Confident | 38 Ų | 38 | 93.7 Ų | 93.7 | 31% | 0.314 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67 | -42.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A170 R171 R177 R178 | A170-A174 WeakPolarHBondContact O-CB 3.37Å; A170-A174 PolarHBondContact O-N 3.32Å; R171-A174 PolarHBondContact O-N 2.86Å; R171-A174 VanDerWaalsContact O-N 3.15Å; A174-R177 PolarHBondContact O-N 3.41Å; A174-R178 WeakPolarHBondContact O-CB 3.41Å; A174-R178 PolarHBondContact O-N 3.27Å |
| 175 | D | 86.5 | Confident | 81.6 | Confident | 74 Ų | 74 | 94 Ų | 94 | 40% | 0.396 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 175.5 | -70 | -22.3 | 0 | 0 | 0 | 110.9 | R171 L172 R178 A179 | R171-D175 WeakPolarHBondContact O-CB 3.21Å; R171-D175 VanDerWaalsContact O-CG 3.31Å; R171-D175 PolarHBondContact O-N 3.2Å; L172-D175 PolarHBondContact O-N 3.11Å; D175-R178 PolarHBondContact O-N 3.36Å; D175-A179 VanDerWaalsContact O-CB 3.29Å; D175-A179 WeakPolarHBondContact O-CB 3.43Å; D175-A179 PolarHBondContact O-N 3.02Å |
| 176 | S | 79 | Confident | 79.4 | Confident | 79 Ų | 79 | 95.5 Ų | 95.5 | 55% | 0.552 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62 | -46.7 | 173.8 | -177.6 | 0 | 0 | 0 | 0 | 111.7 | L172 E173 R178 A179 A180 | L172-S176 WeakPolarHBondContact O-CB 3.42Å; L172-S176 PolarHBondContact O-N 3.42Å; E173-S176 PolarHBondContact O-N 2.86Å; S176-R178 VanDerWaalsContact C-N 3.34Å; S176-R178 PolarHBondContact O-N 2.92Å; S176-A179 PolarHBondContact O-N 2.65Å; S176-A180 WeakPolarHBondContact O-CB 3.29Å; S176-A180 PolarHBondContact O-N 3.49Å |
| 177 | R | 78.3 | Confident | 77.4 | Confident | 146 Ų | 146 | 90.2 Ų | 90.2 | 55% | 0.551 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.7 | -41.4 | 173.7 | -75.7 | -174.9 | -65 | -95.7 | -1.2 | 112.2 | E173 A174 A180 A181 | E173-R177 WeakPolarHBondContact O-CB 3.27Å; E173-R177 WeakPolarHBondContact O-CG 3.43Å; E173-R177 PolarHBondContact O-N 3.06Å; E173-R177 IonicContact OE2-NH1 3.5Å; E173-R177 PolarHBondContact OE2-NH1 3.47Å; A174-R177 PolarHBondContact O-N 3.41Å; R177-A180 PolarHBondContact O-N 3.25Å; R177-A181 WeakPolarHBondContact O-CB 3.37Å; R177-A181 PolarHBondContact O-N 2.86Å |
| 178 | R | 79.8 | Confident | 75.2 | Confident | 177 Ų | 177 | 92.2 Ų | 92.2 | 67% | 0.668 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.2 | -40.6 | 176.4 | -172.1 | -177.1 | -65.6 | 170.7 | 1.2 | 111.5 | A174 D175 S176 A181 S182 | A174-R178 WeakPolarHBondContact O-CB 3.41Å; A174-R178 PolarHBondContact O-N 3.27Å; D175-R178 PolarHBondContact O-N 3.36Å; S176-R178 VanDerWaalsContact C-N 3.34Å; S176-R178 PolarHBondContact O-N 2.92Å; R178-A181 PolarHBondContact O-N 2.82Å; R178-S182 WeakPolarHBondContact O-CB 3.36Å; R178-S182 PolarHBondContact O-N 3.42Å; R178-S182 PolarHBondContact O-OG 2.82Å |
| 179 | A | 74.5 | Confident | 72.9 | Confident | 44 Ų | 44 | 89.1 Ų | 89.1 | 36% | 0.364 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | D175 S176 S182 R183 | D175-A179 VanDerWaalsContact O-CB 3.29Å; D175-A179 WeakPolarHBondContact O-CB 3.43Å; D175-A179 PolarHBondContact O-N 3.02Å; S176-A179 PolarHBondContact O-N 2.65Å; A179-S182 WeakPolarHBondContact CA-OG 3.46Å; A179-S182 PolarHBondContact O-N 3.47Å; A179-S182 PolarHBondContact O-OG 3.14Å; A179-R183 WeakPolarHBondContact O-CG 3.31Å; A179-R183 PolarHBondContact O-N 3.08Å |
| 180 | A | 69.5 | Low | 70.7 | Confident | 38 Ų | 38 | 88.2 Ų | 88.2 | 31% | 0.314 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.3 | -44.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S176 R177 R183 | S176-A180 WeakPolarHBondContact O-CB 3.29Å; S176-A180 PolarHBondContact O-N 3.49Å; R177-A180 PolarHBondContact O-N 3.25Å; A180-R183 PolarHBondContact O-N 3.36Å |
| 181 | A | 70 | Confident | 68.6 | Low | 58 Ų | 58 | 88.5 Ų | 88.5 | 48% | 0.479 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.4 | -43.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R177 R178 R183 W184 | R177-A181 WeakPolarHBondContact O-CB 3.37Å; R177-A181 PolarHBondContact O-N 2.86Å; R178-A181 PolarHBondContact O-N 2.82Å; A181-R183 VanDerWaalsContact C-N 3.28Å; A181-R183 PolarHBondContact O-N 2.87Å; A181-W184 PolarHBondContact O-N 3.3Å |
| 182 | S | 65.1 | Low | 66.5 | Low | 51 Ų | 51 | 84.2 Ų | 84.2 | 36% | 0.357 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.9 | -25.2 | -179.8 | 69 | 0 | 0 | 0 | 0 | 113.4 | R178 A179 W184 D185 | R178-S182 WeakPolarHBondContact O-CB 3.36Å; R178-S182 PolarHBondContact O-N 3.42Å; R178-S182 PolarHBondContact O-OG 2.82Å; A179-S182 WeakPolarHBondContact CA-OG 3.46Å; A179-S182 PolarHBondContact O-N 3.47Å; A179-S182 PolarHBondContact O-OG 3.14Å; S182-W184 PolarHBondContact O-N 3.47Å; S182-D185 PolarHBondContact O-N 2.7Å |
| 183 | R | 59.9 | Low | 64.5 | Low | 170 Ų | 170 | 81.1 Ų | 81.1 | 64% | 0.642 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -21.4 | 171.5 | -80.6 | 176.9 | 177.9 | -128.9 | 3.7 | 112.3 | A179 A180 A181 | A179-R183 WeakPolarHBondContact O-CG 3.31Å; A179-R183 PolarHBondContact O-N 3.08Å; A180-R183 PolarHBondContact O-N 3.36Å; A181-R183 VanDerWaalsContact C-N 3.28Å; A181-R183 PolarHBondContact O-N 2.87Å |
| 184 | W | 57.3 | Low | 62.7 | Low | 112 Ų | 112 | 79.5 Ų | 79.5 | 42% | 0.424 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 6.6 | 177.6 | -54.6 | -35.5 | 0 | 0 | 0 | 113.5 | A181 S182 P186 H250 | A181-W184 PolarHBondContact O-N 3.3Å; S182-W184 PolarHBondContact O-N 3.47Å; W184-P186 WeakPolarHBondContact O-CD 3.33Å; W184-H250 AromaticContact CD2-CE1 3.94Å; W184-H250 AromaticContact CD2-NE2 3.52Å; W184-H250 AromaticContact CE2-CD2 3.31Å; W184-H250 AromaticContact CE2-CE1 3.97Å; W184-H250 AromaticContact CE2-CG 3.99Å; W184-H250 AromaticContact CE2-NE2 3.33Å; W184-H250 VanDerWaalsContact CE2-NE2 3.33Å; W184-H250 AromaticContact CE3-CE1 3.72Å; W184-H250 AromaticContact CE3-NE2 3.79Å; W184-H250 HydrophobicContact CH2-CB 3.96Å; W184-H250 AromaticContact CH2-CD2 3.58Å; W184-H250 AromaticContact CH2-CE1 3.62Å; W184-H250 AromaticContact CH2-CG 3.36Å; W184-H250 AromaticContact CH2-ND1 3.4Å; W184-H250 WeakPolarHBondContact CH2-ND1 3.35Å; W184-H250 AromaticContact CH2-NE2 3.76Å; W184-H250 HydrophobicContact CZ2-CB 3.91Å; W184-H250 AromaticContact CZ2-CD2 3.09Å; W184-H250 WeakPolarHBondContact CZ2-CD2 3.32Å; W184-H250 AromaticContact CZ2-CE1 3.85Å; W184-H250 AromaticContact CZ2-CG 3.31Å; W184-H250 AromaticContact CZ2-ND1 3.79Å; W184-H250 AromaticContact CZ2-NE2 3.49Å; W184-H250 WeakPolarHBondContact CZ2-NE2 3.44Å; W184-H250 AromaticContact CZ3-CE1 3.54Å; W184-H250 AromaticContact CZ3-ND1 3.69Å; W184-H250 AromaticContact CZ3-NE2 3.9Å; W184-H250 AromaticContact NE1-CD2 3.72Å; W184-H250 AromaticContact NE1-NE2 3.78Å |
| 185 | D | 49.7 | Very low | 60.9 | Low | 99 Ų | 99 | 82.2 Ų | 82.2 | 53% | 0.529 | 49% | 0.493 | S | S | . | . | trans | -81.6 | 115.2 | 171.4 | -130.9 | -29.1 | 0 | 0 | 0 | 109 | S182 A187 V188 A189 | S182-D185 PolarHBondContact O-N 2.7Å; D185-A187 PolarHBondContact O-N 2.95Å; D185-V188 PolarHBondContact O-N 3.47Å; D185-A189 PolarHBondContact O-N 3.07Å | ||
| 186 | P | 52.6 | Low | 59.1 | Low | 97 Ų | 97 | 83 Ų | 83 | 63% | 0.63 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.8 | -17.9 | -170 | 22.3 | -33.6 | 0 | 0 | 0 | 113.7 | W184 A190 | W184-P186 WeakPolarHBondContact O-CD 3.33Å; P186-A190 WeakPolarHBondContact O-CB 3.23Å; P186-A190 PolarHBondContact O-N 2.88Å |
| 187 | A | 54.4 | Low | 57.6 | Low | 73 Ų | 73 | 82.8 Ų | 82.8 | 60% | 0.603 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -71.6 | -37.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D185 A191 | D185-A187 PolarHBondContact O-N 2.95Å; A187-A191 PolarHBondContact O-N 3.46Å; A187-A191 VanDerWaalsContact O-N 3.1Å |
| 188 | V | 51.3 | Low | 56 | Low | 85 Ų | 85 | 81.7 Ų | 81.7 | 52% | 0.515 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -79.5 | -36.6 | 176.6 | 176.3 | 0 | 0 | 0 | 0 | 110.3 | D185 A190 A191 A192 | D185-V188 PolarHBondContact O-N 3.47Å; V188-A190 VanDerWaalsContact C-N 3.31Å; V188-A190 PolarHBondContact O-N 3.22Å; V188-A191 PolarHBondContact O-N 2.98Å; V188-A192 WeakPolarHBondContact O-CB 3.37Å; V188-A192 PolarHBondContact O-N 3.4Å |
| 189 | A | 48.6 | Very low | 54.4 | Low | 42 Ų | 42 | 80.4 Ų | 80.4 | 35% | 0.347 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.6 | -38.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | D185 S193 | D185-A189 PolarHBondContact O-N 3.07Å; A189-S193 WeakPolarHBondContact O-CB 3.29Å; A189-S193 PolarHBondContact O-N 2.8Å |
| 190 | A | 48.8 | Very low | 52.8 | Low | 59 Ų | 59 | 81.2 Ų | 81.2 | 49% | 0.488 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.5 | -37.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | P186 V188 A194 | P186-A190 WeakPolarHBondContact O-CB 3.23Å; P186-A190 PolarHBondContact O-N 2.88Å; V188-A190 VanDerWaalsContact C-N 3.31Å; V188-A190 PolarHBondContact O-N 3.22Å; A190-A194 WeakPolarHBondContact O-CB 3.45Å; A190-A194 PolarHBondContact O-N 3.48Å |
| 191 | A | 52.2 | Low | 51.4 | Low | 59 Ų | 59 | 88.6 Ų | 88.6 | 49% | 0.488 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -70.6 | -38.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A187 V188 S195 | A187-A191 PolarHBondContact O-N 3.46Å; A187-A191 VanDerWaalsContact O-N 3.1Å; V188-A191 PolarHBondContact O-N 2.98Å; A191-S195 PolarHBondContact O-N 3.04Å; A191-S195 PolarHBondContact O-OG 3.28Å |
| 192 | A | 50 | Low | 49.9 | Very low | 58 Ų | 58 | 90.3 Ų | 90.3 | 48% | 0.479 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -69.3 | -42.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V188 S195 T196 | V188-A192 WeakPolarHBondContact O-CB 3.37Å; V188-A192 PolarHBondContact O-N 3.4Å; A192-S195 WeakPolarHBondContact O-CB 3.37Å; A192-S195 PolarHBondContact O-N 3.48Å; A192-T196 PolarHBondContact O-N 3.49Å; A192-T196 PolarHBondContact O-OG1 2.78Å |
| 193 | S | 51.1 | Low | 48.5 | Very low | 46 Ų | 46 | 91.5 Ų | 91.5 | 32% | 0.322 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -70.9 | -30.5 | 174.8 | -88.8 | 0 | 0 | 0 | 0 | 113.2 | A189 S195 T196 A197 R225 | A189-S193 WeakPolarHBondContact O-CB 3.29Å; A189-S193 PolarHBondContact O-N 2.8Å; S193-S195 PolarHBondContact O-N 2.75Å; S193-T196 PolarHBondContact O-N 3Å; S193-A197 WeakPolarHBondContact O-CB 3.42Å; S193-A197 PolarHBondContact O-N 3.46Å; S193-R225 PolarHBondContact OG-NH2 3.28Å |
| 194 | A | 50.6 | Low | 47.3 | Very low | 65 Ų | 65 | 89 Ų | 89 | 54% | 0.537 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -65.6 | -30 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A190 | A190-A194 WeakPolarHBondContact O-CB 3.45Å; A190-A194 PolarHBondContact O-N 3.48Å |
| 195 | S | 49.9 | Very low | 46.2 | Very low | 95 Ų | 95 | 87 Ų | 87 | 66% | 0.664 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -73.7 | -31 | 176.1 | -53.2 | 0 | 0 | 0 | 0 | 112.1 | A191 A192 S193 | A191-S195 PolarHBondContact O-N 3.04Å; A191-S195 PolarHBondContact O-OG 3.28Å; A192-S195 WeakPolarHBondContact O-CB 3.37Å; A192-S195 PolarHBondContact O-N 3.48Å; S193-S195 PolarHBondContact O-N 2.75Å |
| 196 | T | 48 | Very low | 45.5 | Very low | 89 Ų | 89 | 87 Ų | 87 | 55% | 0.546 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -92.6 | -18.3 | 178.1 | -48.7 | 0 | 0 | 0 | 0 | 113.6 | A192 S193 T198 I199 | A192-T196 PolarHBondContact O-N 3.49Å; A192-T196 PolarHBondContact O-OG1 2.78Å; S193-T196 PolarHBondContact O-N 3Å; T196-T198 PolarHBondContact O-N 2.93Å; T196-I199 PolarHBondContact O-N 2.9Å |
| 197 | A | 48.2 | Very low | 45.1 | Very low | 75 Ų | 75 | 85.2 Ų | 85.2 | 62% | 0.62 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 0.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | S193 I199 | S193-A197 WeakPolarHBondContact O-CB 3.42Å; S193-A197 PolarHBondContact O-N 3.46Å; A197-I199 VanDerWaalsContact C-N 3.3Å |
| 198 | T | 44.6 | Very low | 45.3 | Very low | 123 Ų | 123 | 85.4 Ų | 85.4 | 76% | 0.755 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | 0.2 | 175.6 | -31.1 | 0 | 0 | 0 | 0 | 112.9 | T196 G200 | T196-T198 PolarHBondContact O-N 2.93Å; T198-G200 PolarHBondContact O-N 3.49Å |
| 199 | I | 45.7 | Very low | 46.4 | Very low | 151 Ų | 151 | 87.5 Ų | 87.5 | 77% | 0.774 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -95.8 | 88.9 | 169.5 | -54.9 | -178 | 0 | 0 | 0 | 109.1 | T196 A197 | T196-I199 PolarHBondContact O-N 2.9Å; A197-I199 VanDerWaalsContact C-N 3.3Å |
| 200 | G | 41.9 | Very low | 48.1 | Very low | 61 Ų | 61 | 86.2 Ų | 86.2 | 63% | 0.629 | 65% | 0.647 | S | S | * | * | trans | 70.3 | 67.3 | 143.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | T198 A202 | T198-G200 PolarHBondContact O-N 3.49Å; G200-A202 PolarHBondContact O-N 3.47Å | ||
| 201 | L | 38.7 | Very low | 50 | Low | 192 Ų | 192 | 85.2 Ų | 85.2 | 100% | 1.005 | 64% | 0.639 | S | S | * | * | trans | -75.4 | 77.7 | 151.8 | -125.6 | 88.7 | 0 | 0 | 0 | 108.8 | ||||
| 202 | A | 39.4 | Very low | 51.8 | Low | 95 Ų | 95 | 82.5 Ų | 82.5 | 79% | 0.785 | 62% | 0.616 | S | S | * | * | trans | -146.4 | 112.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | G200 | G200-A202 PolarHBondContact O-N 3.47Š| ||
| 203 | G | 36.5 | Very low | 53.7 | Low | 76 Ų | 76 | 84 Ų | 84 | 78% | 0.784 | 61% | 0.613 | S | S | * | * | trans | 129.3 | 96.3 | 159.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | G205 | G203-G205 PolarHBondContact O-N 2.88Š| ||
| 204 | A | 32.9 | Very low | 55.5 | Low | 118 Ų | 118 | 82.4 Ų | 82.4 | 98% | 0.975 | 60% | 0.602 | S | S | * | * | trans | -57.8 | 116.7 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 205 | G | 34.9 | Very low | 57.2 | Low | 70 Ų | 70 | 87.2 Ų | 87.2 | 72% | 0.722 | 61% | 0.606 | S | S | * | * | trans | -178.5 | 115.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110 | G203 G207 | G203-G205 PolarHBondContact O-N 2.88Å; G205-G207 PolarHBondContact O-N 3.39Å; G205-G207 VanDerWaalsContact O-N 3.09Å | ||
| 206 | G | 34.8 | Very low | 58.8 | Low | 99 Ų | 99 | 86 Ų | 86 | 100% | 1.021 | 59% | 0.591 | S | S | * | * | trans | -63.5 | 108.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 207 | G | 45.4 | Very low | 60.3 | Low | 59 Ų | 59 | 86.1 Ų | 86.1 | 61% | 0.608 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -163.3 | 125.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 105.6 | G205 D209 | G205-G207 PolarHBondContact O-N 3.39Å; G205-G207 VanDerWaalsContact O-N 3.09Å; G207-D209 PolarHBondContact O-N 3.41Å |
| 208 | A | 57.6 | Low | 61.7 | Low | 76 Ų | 76 | 84.2 Ų | 84.2 | 63% | 0.628 | 58% | 0.575 | S | S | * | * | trans | -63.1 | 95.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | E210 | A208-E210 VanDerWaalsContact C-N 3.28Å; A208-E210 HydrophobicContact CB-CG 4.48Å; A208-E210 PolarHBondContact O-N 2.98Å | ||
| 209 | D | 74.1 | Confident | 63.4 | Low | 129 Ų | 129 | 82.3 Ų | 82.3 | 69% | 0.69 | 57% | 0.565 | S | S | * | * | trans | -71.5 | 89 | 176.5 | -166 | 40.4 | 0 | 0 | 0 | 108 | G207 | G207-D209 PolarHBondContact O-N 3.41Š| ||
| 210 | E | 83.8 | Confident | 65.2 | Low | 16 Ų | 16 | 79.4 Ų | 79.4 | 8% | 0.075 | 55% | 0.551 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.7 | 114.4 | 172.8 | -61.8 | -150.5 | 130.5 | 0 | 0 | 109.2 | A208 T227 S228 R236 | A208-E210 VanDerWaalsContact C-N 3.28Å; A208-E210 HydrophobicContact CB-CG 4.48Å; A208-E210 PolarHBondContact O-N 2.98Å; E210-T227 CarbonylContact C-O 3.55Å; E210-T227 WeakPolarHBondContact CA-O 3.17Å; E210-S228 WeakPolarHBondContact CG-OG 3.31Å; E210-S228 WeakPolarHBondContact OE1-CB 3.4Å; E210-S228 PolarHBondContact OE1-OG 3.47Å; E210-R236 IonicContact OE1-CZ 3.51Å; E210-R236 IonicContact OE1-NE 3.37Å; E210-R236 IonicContact OE1-NH2 2.67Å; E210-R236 PolarHBondContact OE1-NH2 3.32Å; E210-R236 IonicContact OE2-CZ 3.87Å; E210-R236 IonicContact OE2-NH2 2.92Å |
| 211 | A | 89.3 | Confident | 67.3 | Low | 38 Ų | 38 | 77.3 Ų | 77.3 | 31% | 0.314 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 125.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | A226 T227 | A211-A226 CarbonylContact O-C 3.54Å; A211-A226 WeakPolarHBondContact O-CA 3.42Å; A211-T227 WeakPolarHBondContact CB-OG1 3.49Å; A211-T227 PolarHBondContact N-O 3Å; A211-T227 PolarHBondContact O-N 2.79Å; A211-T227 PolarHBondContact O-OG1 3.26Å; A211-T227 VanDerWaalsContact O-OG1 3.11Å |
| 212 | V | 90.4 | Very high | 69.7 | Low | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.006 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 130.5 | 174.1 | 177.8 | 0 | 0 | 0 | 0 | 108.7 | V214 V224 R225 A226 R280 L283 L284 M287 | V212-V214 HydrophobicContact CG1-CG2 4.2Å; V212-V224 HydrophobicContact CG1-CG1 3.86Å; V212-R225 CarbonylContact C-O 3.56Å; V212-R225 VanDerWaalsContact CA-O 3.3Å; V212-R225 WeakPolarHBondContact CA-O 3.31Å; V212-A226 HydrophobicContact CG2-CB 4.04Å; V212-R280 WeakPolarHBondContact O-CD 3.29Å; V212-R280 WeakPolarHBondContact O-CG 3.48Å; V212-R280 PolarHBondContact O-NE 3Å; V212-L283 HydrophobicContact CG1-CB 4.38Å; V212-L283 HydrophobicContact CG1-CD1 4.5Å; V212-L284 HydrophobicContact CB-CD1 4.33Å; V212-L284 HydrophobicContact CB-CD2 3.62Å; V212-L284 HydrophobicContact CB-CG 3.7Å; V212-L284 HydrophobicContact CG2-CD2 3.37Å; V212-L284 HydrophobicContact CG2-CG 3.85Å; V212-M287 HydrophobicContact CG2-SD 3.71Å |
| 213 | E | 90.3 | Very high | 72.1 | Confident | 89 Ų | 89 | 64.8 Ų | 64.8 | 42% | 0.416 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 137.6 | 170.7 | -60.9 | 179.8 | -177.5 | 0 | 0 | 108.6 | V224 R225 | E213-V224 CarbonylContact O-C 3.54Å; E213-V224 WeakPolarHBondContact O-CA 3.48Å; E213-R225 HydrophobicContact CB-CB 4.35Å; E213-R225 PolarHBondContact N-O 3.18Å; E213-R225 PolarHBondContact O-N 3.24Å |
| 214 | V | 89 | Confident | 74.7 | Confident | 14 Ų | 14 | 61.3 Ų | 61.3 | 9% | 0.085 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 136.2 | 175.3 | -178 | 0 | 0 | 0 | 0 | 107.2 | V212 A222 A223 V224 L279 R280 L283 | V212-V214 HydrophobicContact CG1-CG2 4.2Å; V214-A222 HydrophobicContact CG1-CB 4.16Å; V214-A223 CarbonylContact C-O 3.58Å; V214-A223 WeakPolarHBondContact CA-O 3.21Å; V214-V224 HydrophobicContact CG2-CG1 4.48Å; V214-V224 HydrophobicContact CG2-CG2 4.3Å; V214-L279 HydrophobicContact CG1-CB 4.45Å; V214-L279 HydrophobicContact CG1-CD2 3.76Å; V214-L279 HydrophobicContact CG1-CG 4.13Å; V214-L279 HydrophobicContact CG2-CG 4.35Å; V214-R280 HydrophobicContact CB-CB 4.27Å; V214-R280 HydrophobicContact CG2-CB 3.77Å; V214-R280 HydrophobicContact CG2-CG 4.34Å; V214-L283 HydrophobicContact CG2-CD1 4.1Å |
| 215 | R | 86.1 | Confident | 77.5 | Confident | 166 Ų | 166 | 59 Ų | 59 | 63% | 0.626 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 122.9 | 176 | -65.8 | 176.6 | 178.3 | -112.2 | 1.1 | 109 | A222 A223 | R215-A222 CarbonylContact O-C 3.55Å; R215-A222 WeakPolarHBondContact O-CA 3.43Å; R215-A223 PolarHBondContact N-O 3.4Å; R215-A223 PolarHBondContact O-N 3.21Å |
| 216 | M | 84 | Confident | 80.2 | Confident | 70 Ų | 70 | 55.8 Ų | 55.8 | 35% | 0.345 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 134.1 | 174.3 | -58.7 | -54.4 | -66 | 0 | 0 | 110.6 | A222 V268 | M216-A222 HydrophobicContact CE-CB 4.39Å; M216-A222 HydrophobicContact SD-CB 3.78Å; M216-V268 HydrophobicContact CE-CB 4.3Å; M216-V268 HydrophobicContact CE-CG1 4.35Å; M216-V268 HydrophobicContact CE-CG2 4.43Å |
| 217 | L | 78.6 | Confident | 83 | Confident | 91 Ų | 91 | 53 Ų | 53 | 48% | 0.476 | 31% | 0.311 | S | S | . | . | trans | -103.4 | 2.2 | 177.9 | -65 | 178.6 | 0 | 0 | 0 | 112.7 | A221 A223 V265 | L217-A221 HydrophobicContact CB-CB 4.13Å; L217-A221 PolarHBondContact N-O 3.2Å; L217-A223 HydrophobicContact CD1-CB 4.03Å; L217-A223 HydrophobicContact CD2-CB 4.24Å; L217-A223 HydrophobicContact CG-CB 4.1Å; L217-V265 HydrophobicContact CD1-CG1 3.91Å; L217-V265 HydrophobicContact CD1-CG2 4.32Å | ||
| 218 | G | 77.3 | Confident | 85.2 | Confident | 35 Ų | 35 | 50.2 Ų | 50.2 | 36% | 0.361 | 28% | 0.282 | S | S | . | . | S | Bend | trans | 158.9 | -168.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | D220 | G218-D220 VanDerWaalsContact C-N 3.27Å; G218-D220 PolarHBondContact O-N 3.1Å |
| 219 | P | 79.9 | Confident | 86.6 | Confident | 83 Ų | 83 | 49.6 Ų | 49.6 | 54% | 0.539 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -64.9 | -34.1 | 174.5 | 26.4 | -32.9 | 0 | 0 | 0 | 111.9 | Q273 | P219-Q273 PolarHBondContact O-NE2 2.8Š|
| 220 | D | 83.9 | Confident | 87.1 | Confident | 90 Ų | 90 | 44.1 Ų | 44.1 | 48% | 0.481 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -115.9 | 7.6 | -165 | -54 | -33.6 | 0 | 0 | 0 | 113.9 | G218 D267 V268 | G218-D220 VanDerWaalsContact C-N 3.27Å; G218-D220 PolarHBondContact O-N 3.1Å; D220-D267 CarbonylContact O-C 3.53Å; D220-D267 VanDerWaalsContact O-CA 3.31Å; D220-D267 WeakPolarHBondContact O-CA 3.22Å; D220-V268 CarbonylContact C-O 3.53Å; D220-V268 WeakPolarHBondContact CA-O 3.37Å; D220-V268 PolarHBondContact O-N 2.94Å |
| 221 | A | 86.8 | Confident | 87.2 | Confident | 17 Ų | 17 | 47.8 Ų | 47.8 | 14% | 0.14 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 145.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L217 V266 | L217-A221 HydrophobicContact CB-CB 4.13Å; L217-A221 PolarHBondContact N-O 3.2Å; A221-V266 CarbonylContact C-O 3.53Å; A221-V266 VanDerWaalsContact CA-O 3.29Å; A221-V266 WeakPolarHBondContact CA-O 3.32Å |
| 222 | A | 87.6 | Confident | 87.2 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 143.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | V214 R215 M216 V265 V266 V268 L279 | V214-A222 HydrophobicContact CG1-CB 4.16Å; R215-A222 CarbonylContact O-C 3.55Å; R215-A222 WeakPolarHBondContact O-CA 3.43Å; M216-A222 HydrophobicContact CE-CB 4.39Å; M216-A222 HydrophobicContact SD-CB 3.78Å; A222-V265 WeakPolarHBondContact O-CA 3.37Å; A222-V266 HydrophobicContact CB-CG2 4.16Å; A222-V266 PolarHBondContact N-O 3.02Å; A222-V266 PolarHBondContact O-N 3.11Å; A222-V268 HydrophobicContact CB-CG2 3.49Å; A222-V268 VanDerWaalsContact CB-CG2 3.49Å; A222-L279 HydrophobicContact CB-CD2 4.3Å |
| 223 | A | 90.6 | Very high | 87.2 | Confident | 24 Ų | 24 | 53 Ų | 53 | 20% | 0.198 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 125.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | V214 R215 L217 V264 | V214-A223 CarbonylContact C-O 3.58Å; V214-A223 WeakPolarHBondContact CA-O 3.21Å; R215-A223 PolarHBondContact N-O 3.4Å; R215-A223 PolarHBondContact O-N 3.21Å; L217-A223 HydrophobicContact CD1-CB 4.03Å; L217-A223 HydrophobicContact CD2-CB 4.24Å; L217-A223 HydrophobicContact CG-CB 4.1Å; A223-V264 CarbonylContact C-O 3.53Å; A223-V264 WeakPolarHBondContact CA-O 3.39Å |
| 224 | V | 91.1 | Very high | 87.3 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 126.8 | 177.6 | -177.2 | 0 | 0 | 0 | 0 | 108.9 | V212 E213 V214 L237 D263 V264 V266 L283 | V212-V224 HydrophobicContact CG1-CG1 3.86Å; E213-V224 CarbonylContact O-C 3.54Å; E213-V224 WeakPolarHBondContact O-CA 3.48Å; V214-V224 HydrophobicContact CG2-CG1 4.48Å; V214-V224 HydrophobicContact CG2-CG2 4.3Å; V224-L237 HydrophobicContact CG1-CD1 4.13Å; V224-L237 HydrophobicContact CG1-CD2 4.35Å; V224-D263 CarbonylContact O-C 3.53Å; V224-D263 WeakPolarHBondContact O-CA 3.45Å; V224-V264 HydrophobicContact CB-CB 4.49Å; V224-V264 PolarHBondContact N-O 3.1Å; V224-V264 PolarHBondContact O-N 3.44Å; V224-V266 HydrophobicContact CG2-CG2 4.28Å; V224-L283 HydrophobicContact CG1-CD1 3.88Å; V224-L283 HydrophobicContact CG2-CD1 3.97Å |
| 225 | R | 92.2 | Very high | 87.5 | Confident | 69 Ų | 69 | 52.9 Ų | 52.9 | 26% | 0.26 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 113.9 | 172.9 | 175 | 170.9 | -140.9 | -153.4 | 1.1 | 109.1 | S193 V212 E213 T227 V261 L262 D263 | S193-R225 PolarHBondContact OG-NH2 3.28Å; V212-R225 CarbonylContact C-O 3.56Å; V212-R225 VanDerWaalsContact CA-O 3.3Å; V212-R225 WeakPolarHBondContact CA-O 3.31Å; E213-R225 HydrophobicContact CB-CB 4.35Å; E213-R225 PolarHBondContact N-O 3.18Å; E213-R225 PolarHBondContact O-N 3.24Å; R225-T227 HydrophobicContact CG-CG2 4.42Å; R225-V261 HydrophobicContact CG-CG1 4.38Å; R225-L262 CarbonylContact C-O 3.55Å; R225-L262 WeakPolarHBondContact CA-O 3.49Å; R225-D263 WeakPolarHBondContact CB-OD1 3.38Å; R225-D263 WeakPolarHBondContact CD-OD1 3.31Å; R225-D263 WeakPolarHBondContact CG-OD1 3.35Å; R225-D263 IonicContact NE-OD1 3.23Å; R225-D263 PolarHBondContact NE-OD1 3.37Å |
| 226 | A | 92.2 | Very high | 87.9 | Confident | 4 Ų | 4 | 47.1 Ų | 47.1 | 3% | 0.033 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 132.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | A211 V212 L237 V261 L262 M287 | A211-A226 CarbonylContact O-C 3.54Å; A211-A226 WeakPolarHBondContact O-CA 3.42Å; V212-A226 HydrophobicContact CG2-CB 4.04Å; A226-L237 HydrophobicContact CB-CD1 4.33Å; A226-L237 HydrophobicContact CB-CD2 3.78Å; A226-L237 HydrophobicContact CB-CG 4.48Å; A226-V261 CarbonylContact O-C 3.59Å; A226-V261 WeakPolarHBondContact O-CA 3.38Å; A226-L262 PolarHBondContact N-O 2.84Å; A226-L262 PolarHBondContact O-N 2.67Å; A226-M287 HydrophobicContact CB-CE 4.2Å; A226-M287 HydrophobicContact CB-SD 4.34Å |
| 227 | T | 92.1 | Very high | 88.4 | Confident | 40 Ų | 40 | 43.8 Ų | 43.8 | 25% | 0.245 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 128.2 | 176.3 | 58.5 | 0 | 0 | 0 | 0 | 108.4 | E210 A211 R225 T260 V261 | E210-T227 CarbonylContact C-O 3.55Å; E210-T227 WeakPolarHBondContact CA-O 3.17Å; A211-T227 WeakPolarHBondContact CB-OG1 3.49Å; A211-T227 PolarHBondContact N-O 3Å; A211-T227 PolarHBondContact O-N 2.79Å; A211-T227 PolarHBondContact O-OG1 3.26Å; A211-T227 VanDerWaalsContact O-OG1 3.11Å; R225-T227 HydrophobicContact CG-CG2 4.42Å; T227-T260 CarbonylContact C-O 3.6Å; T227-T260 WeakPolarHBondContact CA-O 3.32Å; T227-V261 HydrophobicContact CG2-CB 4.46Å; T227-V261 HydrophobicContact CG2-CG1 4.08Å; T227-V261 HydrophobicContact CG2-CG2 4.03Å |
| 228 | S | 91.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 133.9 | -177.3 | 178.5 | 0 | 0 | 0 | 0 | 110.9 | E210 G230 T260 | E210-S228 WeakPolarHBondContact CG-OG 3.31Å; E210-S228 WeakPolarHBondContact OE1-CB 3.4Å; E210-S228 PolarHBondContact OE1-OG 3.47Å; S228-G230 VanDerWaalsContact C-N 3.27Å; S228-G230 PolarHBondContact OG-N 3.05Å; S228-G230 VanDerWaalsContact OG-N 3.08Å; S228-T260 PolarHBondContact N-O 3.1Å; S228-T260 PolarHBondContact O-N 3.25Å; S228-T260 PolarHBondContact O-OG1 3.46Å |
| 229 | A | 88.2 | Confident | 90 | Very high | 64 Ų | 64 | 41.9 Ų | 41.9 | 53% | 0.529 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -81.5 | -9.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 230 | G | 84.8 | Confident | 90.6 | Very high | 13 Ų | 13 | 38 Ų | 38 | 13% | 0.134 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -78.2 | 160.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S228 | S228-G230 VanDerWaalsContact C-N 3.27Å; S228-G230 PolarHBondContact OG-N 3.05Å; S228-G230 VanDerWaalsContact OG-N 3.08Å |
| 231 | P | 86.1 | Confident | 91.1 | Very high | 93 Ų | 93 | 33.7 Ų | 33.7 | 60% | 0.604 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | 155.1 | 171.6 | 33.3 | -35.8 | 0 | 0 | 0 | 110.8 | A233 | P231-A233 PolarHBondContact O-N 2.88Š|
| 232 | H | 89.5 | Confident | 91.5 | Very high | 146 Ų | 146 | 41.3 Ų | 41.3 | 68% | 0.676 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 16 | 173.3 | -44 | 105.7 | 0 | 0 | 0 | 116.6 | P234 A235 R236 | H232-P234 VanDerWaalsContact C-CD 3.46Å; H232-P234 VanDerWaalsContact C-N 3.31Å; H232-A235 HydrophobicContact CB-CB 4.37Å; H232-A235 WeakPolarHBondContact O-CB 3.13Å; H232-A235 PolarHBondContact O-N 3.12Å; H232-R236 PolarHBondContact O-N 3.34Å |
| 233 | A | 90.3 | Very high | 91.7 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 3% | 0.033 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -52.1 | -40.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | P231 A235 R236 L237 T260 | P231-A233 PolarHBondContact O-N 2.88Å; A233-A235 VanDerWaalsContact C-N 3.33Å; A233-A235 PolarHBondContact O-N 3.16Å; A233-R236 PolarHBondContact O-N 3.09Å; A233-L237 PolarHBondContact O-N 3.31Å; A233-T260 WeakPolarHBondContact CB-OG1 3.41Å |
| 234 | P | 92.1 | Very high | 91.7 | Very high | 33 Ų | 33 | 46.9 Ų | 46.9 | 21% | 0.214 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.8 | -39.8 | 173.6 | -25.7 | 36 | 0 | 0 | 0 | 113.8 | H232 M238 V253 L262 | H232-P234 VanDerWaalsContact C-CD 3.46Å; H232-P234 VanDerWaalsContact C-N 3.31Å; P234-M238 WeakPolarHBondContact O-CB 3.37Å; P234-M238 WeakPolarHBondContact O-CG 3.36Å; P234-M238 PolarHBondContact O-N 2.96Å; P234-V253 HydrophobicContact CB-CG1 4.46Å; P234-V253 HydrophobicContact CB-CG2 3.86Å; P234-V253 HydrophobicContact CG-CG1 3.65Å; P234-V253 HydrophobicContact CG-CG2 3.95Å; P234-L262 HydrophobicContact CB-CD2 3.97Å |
| 235 | A | 93.9 | Very high | 91.8 | Very high | 67 Ų | 67 | 55.6 Ų | 55.6 | 55% | 0.554 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -67.6 | -39.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | H232 A233 M238 G239 | H232-A235 HydrophobicContact CB-CB 4.37Å; H232-A235 WeakPolarHBondContact O-CB 3.13Å; H232-A235 PolarHBondContact O-N 3.12Å; A233-A235 VanDerWaalsContact C-N 3.33Å; A233-A235 PolarHBondContact O-N 3.16Å; A235-M238 PolarHBondContact O-N 2.96Å; A235-G239 PolarHBondContact O-N 3.47Å |
| 236 | R | 94 | Very high | 91.7 | Very high | 45 Ų | 45 | 53.2 Ų | 53.2 | 17% | 0.17 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.9 | -44.7 | 177.1 | -62.7 | -162.7 | -68.7 | -177.4 | 0.4 | 112.3 | E210 H232 A233 G239 A240 M287 S290 | E210-R236 IonicContact OE1-CZ 3.51Å; E210-R236 IonicContact OE1-NE 3.37Å; E210-R236 IonicContact OE1-NH2 2.67Å; E210-R236 PolarHBondContact OE1-NH2 3.32Å; E210-R236 IonicContact OE2-CZ 3.87Å; E210-R236 IonicContact OE2-NH2 2.92Å; H232-R236 PolarHBondContact O-N 3.34Å; A233-R236 PolarHBondContact O-N 3.09Å; R236-G239 PolarHBondContact O-N 3.24Å; R236-A240 WeakPolarHBondContact O-CB 3.17Å; R236-A240 PolarHBondContact O-N 3.44Å; R236-M287 HydrophobicContact CB-CG 4.38Å; R236-M287 WeakPolarHBondContact CD-O 3.37Å; R236-M287 PolarHBondContact NH1-O 2.77Å; R236-S290 WeakPolarHBondContact CD-OXT 3.36Å; R236-S290 PolarHBondContact NH1-OXT 3.42Å |
| 237 | L | 93.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 174 | -174.7 | 69.6 | 0 | 0 | 0 | 111.4 | V224 A226 A233 G239 A240 L241 L262 V264 M287 | V224-L237 HydrophobicContact CG1-CD1 4.13Å; V224-L237 HydrophobicContact CG1-CD2 4.35Å; A226-L237 HydrophobicContact CB-CD1 4.33Å; A226-L237 HydrophobicContact CB-CD2 3.78Å; A226-L237 HydrophobicContact CB-CG 4.48Å; A233-L237 PolarHBondContact O-N 3.31Å; L237-G239 VanDerWaalsContact C-N 3.26Å; L237-G239 PolarHBondContact O-N 3.29Å; L237-A240 WeakPolarHBondContact O-CB 3.33Å; L237-A240 PolarHBondContact O-N 2.89Å; L237-L241 HydrophobicContact CD1-CG 4.47Å; L237-L241 HydrophobicContact CD2-CD1 4.46Å; L237-L241 HydrophobicContact CG-CD1 4.1Å; L237-L241 HydrophobicContact CG-CG 4.32Å; L237-L241 VanDerWaalsContact O-CG 3.29Å; L237-L241 WeakPolarHBondContact O-CG 3.46Å; L237-L241 PolarHBondContact O-N 3.02Å; L237-L262 HydrophobicContact CB-CD2 3.91Å; L237-L262 HydrophobicContact CD2-CB 4.32Å; L237-L262 HydrophobicContact CD2-CD2 3.36Å; L237-L262 HydrophobicContact CD2-CG 3.57Å; L237-L262 HydrophobicContact CG-CD2 4.16Å; L237-V264 HydrophobicContact CD2-CG2 3.77Å; L237-M287 HydrophobicContact CB-CE 4.3Å; L237-M287 HydrophobicContact CB-SD 3.92Å; L237-M287 HydrophobicContact CD1-CG 4.39Å; L237-M287 HydrophobicContact CD1-SD 3.5Å; L237-M287 WeakPolarHBondContact CD1-SD 3.41Å; L237-M287 HydrophobicContact CG-SD 4.29Å |
| 238 | M | 94.7 | Very high | 91.7 | Very high | 59 Ų | 59 | 59.1 Ų | 59.1 | 29% | 0.291 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.2 | -27.6 | 178.2 | -67.7 | -60 | -63 | 0 | 0 | 112.8 | P234 A235 L241 R242 V248 | P234-M238 WeakPolarHBondContact O-CB 3.37Å; P234-M238 WeakPolarHBondContact O-CG 3.36Å; P234-M238 PolarHBondContact O-N 2.96Å; A235-M238 PolarHBondContact O-N 2.96Å; M238-L241 HydrophobicContact SD-CD1 4.2Å; M238-R242 WeakPolarHBondContact O-CB 3.48Å; M238-R242 PolarHBondContact O-N 3.27Å; M238-V248 HydrophobicContact CE-CG2 3.96Å; M238-V248 HydrophobicContact SD-CG2 4.39Å |
| 239 | G | 94.6 | Very high | 91.7 | Very high | 26 Ų | 26 | 64.5 Ų | 64.5 | 27% | 0.268 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.3 | -50.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A235 R236 L237 L241 R242 S243 | A235-G239 PolarHBondContact O-N 3.47Å; R236-G239 PolarHBondContact O-N 3.24Å; L237-G239 VanDerWaalsContact C-N 3.26Å; L237-G239 PolarHBondContact O-N 3.29Å; G239-L241 PolarHBondContact O-N 2.91Å; G239-R242 WeakPolarHBondContact O-CB 3.32Å; G239-R242 PolarHBondContact O-N 2.86Å; G239-S243 PolarHBondContact O-N 2.87Å; G239-S243 PolarHBondContact O-OG 3.06Å; G239-S243 VanDerWaalsContact O-OG 3.12Å |
| 240 | A | 94.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.008 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -52.9 | -52.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R236 L237 R242 S243 L244 L283 M286 M287 | R236-A240 WeakPolarHBondContact O-CB 3.17Å; R236-A240 PolarHBondContact O-N 3.44Å; L237-A240 WeakPolarHBondContact O-CB 3.33Å; L237-A240 PolarHBondContact O-N 2.89Å; A240-R242 VanDerWaalsContact C-N 3.28Å; A240-R242 PolarHBondContact O-N 3.25Å; A240-S243 PolarHBondContact O-N 3.11Å; A240-S243 VanDerWaalsContact O-N 3.15Å; A240-L244 PolarHBondContact O-N 2.9Å; A240-L283 HydrophobicContact CB-CD2 4.03Å; A240-M286 VanDerWaalsContact CA-CE 3.46Å; A240-M286 HydrophobicContact CB-CB 3.89Å; A240-M286 HydrophobicContact CB-CE 3.5Å; A240-M286 WeakPolarHBondContact O-CE 3.42Å; A240-M287 HydrophobicContact CB-CG 4.25Å |
| 241 | L | 93.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.9 | -38.4 | 178.7 | -68.5 | 174.9 | 0 | 0 | 0 | 112.5 | L237 M238 G239 L244 E245 L246 V248 V264 V266 L283 | L237-L241 HydrophobicContact CD1-CG 4.47Å; L237-L241 HydrophobicContact CD2-CD1 4.46Å; L237-L241 HydrophobicContact CG-CD1 4.1Å; L237-L241 HydrophobicContact CG-CG 4.32Å; L237-L241 VanDerWaalsContact O-CG 3.29Å; L237-L241 WeakPolarHBondContact O-CG 3.46Å; L237-L241 PolarHBondContact O-N 3.02Å; M238-L241 HydrophobicContact SD-CD1 4.2Å; G239-L241 PolarHBondContact O-N 2.91Å; L241-L244 PolarHBondContact O-N 2.79Å; L241-E245 PolarHBondContact O-N 3.13Å; L241-L246 HydrophobicContact CD2-CB 4.31Å; L241-L246 HydrophobicContact CD2-CD1 3.81Å; L241-L246 PolarHBondContact O-N 3.39Å; L241-V248 HydrophobicContact CD1-CG2 3.96Å; L241-V264 HydrophobicContact CD1-CB 4.31Å; L241-V264 HydrophobicContact CD1-CG1 3.79Å; L241-V264 HydrophobicContact CD1-CG2 4.31Å; L241-V266 HydrophobicContact CD1-CG1 4.04Å; L241-V266 HydrophobicContact CD2-CG1 3.91Å; L241-L283 HydrophobicContact CD2-CD1 4.39Å; L241-L283 HydrophobicContact CD2-CD2 3.79Å; L241-L283 HydrophobicContact CG-CD2 4.42Å |
| 242 | R | 94.3 | Very high | 92.3 | Very high | 177 Ų | 177 | 63.2 Ų | 63.2 | 67% | 0.668 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -66.6 | -41 | 175.8 | -174.7 | -172.4 | -44.8 | -71.1 | -10.2 | 112.3 | M238 G239 A240 L244 E245 | M238-R242 WeakPolarHBondContact O-CB 3.48Å; M238-R242 PolarHBondContact O-N 3.27Å; G239-R242 WeakPolarHBondContact O-CB 3.32Å; G239-R242 PolarHBondContact O-N 2.86Å; A240-R242 VanDerWaalsContact C-N 3.28Å; A240-R242 PolarHBondContact O-N 3.25Å; R242-L244 PolarHBondContact O-N 3.44Å; R242-E245 PolarHBondContact O-N 2.9Å; R242-E245 VanDerWaalsContact O-N 3.08Å |
| 243 | S | 92.9 | Very high | 92.5 | Very high | 90 Ų | 90 | 60 Ų | 60 | 63% | 0.629 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64.7 | -26.8 | 178.4 | -63 | 0 | 0 | 0 | 0 | 112.8 | G239 A240 | G239-S243 PolarHBondContact O-N 2.87Å; G239-S243 PolarHBondContact O-OG 3.06Å; G239-S243 VanDerWaalsContact O-OG 3.12Å; A240-S243 PolarHBondContact O-N 3.11Å; A240-S243 VanDerWaalsContact O-N 3.15Å |
| 244 | L | 91 | Very high | 92.4 | Very high | 51 Ų | 51 | 63.1 Ų | 63.1 | 27% | 0.267 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 4.7 | 174.4 | -67.5 | 171.1 | 0 | 0 | 0 | 113.7 | A240 L241 R242 L246 L279 T282 L283 M286 | A240-L244 PolarHBondContact O-N 2.9Å; L241-L244 PolarHBondContact O-N 2.79Å; R242-L244 PolarHBondContact O-N 3.44Å; L244-L246 HydrophobicContact CB-CD1 3.94Å; L244-L246 HydrophobicContact CB-CG 3.78Å; L244-L246 HydrophobicContact CD1-CD1 4.03Å; L244-L246 PolarHBondContact O-N 3.34Å; L244-L246 VanDerWaalsContact O-N 3.14Å; L244-L279 HydrophobicContact CD1-CD1 3.97Å; L244-T282 HydrophobicContact CD1-CG2 4.12Å; L244-T282 HydrophobicContact CD2-CG2 3.89Å; L244-L283 HydrophobicContact CD1-CD2 3.71Å; L244-L283 HydrophobicContact CD1-CG 4.3Å; L244-M286 HydrophobicContact CD1-CE 3.4Å; L244-M286 VanDerWaalsContact CD1-CE 3.4Å; L244-M286 HydrophobicContact CD2-CE 4.27Å; L244-M286 HydrophobicContact CG-CE 3.52Å; L244-M286 HydrophobicContact CG-SD 4.23Å |
| 245 | E | 91.6 | Very high | 92.3 | Very high | 185 Ų | 185 | 69.9 Ų | 69.9 | 86% | 0.864 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 27.9 | -176.8 | -56.2 | -176.1 | 171.3 | 0 | 0 | 113.6 | L241 R242 H247 | L241-E245 PolarHBondContact O-N 3.13Å; R242-E245 PolarHBondContact O-N 2.9Å; R242-E245 VanDerWaalsContact O-N 3.08Å; E245-H247 PolarHBondContact O-N 3.25Å |
| 246 | L | 91.3 | Very high | 91.9 | Very high | 18 Ų | 18 | 70.8 Ų | 70.8 | 9% | 0.094 | 36% | 0.363 | C | S | . | . | trans | -80.7 | 120.8 | 178.2 | -62.5 | 175.3 | 0 | 0 | 0 | 109.9 | L241 L244 V248 V266 D267 V268 L279 | L241-L246 HydrophobicContact CD2-CB 4.31Å; L241-L246 HydrophobicContact CD2-CD1 3.81Å; L241-L246 PolarHBondContact O-N 3.39Å; L244-L246 HydrophobicContact CB-CD1 3.94Å; L244-L246 HydrophobicContact CB-CG 3.78Å; L244-L246 HydrophobicContact CD1-CD1 4.03Å; L244-L246 PolarHBondContact O-N 3.34Å; L244-L246 VanDerWaalsContact O-N 3.14Å; L246-V248 PolarHBondContact O-N 2.89Å; L246-V266 HydrophobicContact CB-CB 4.17Å; L246-V266 HydrophobicContact CB-CG1 4.47Å; L246-V266 HydrophobicContact CB-CG2 4.44Å; L246-V266 HydrophobicContact CD1-CG2 4.32Å; L246-D267 WeakPolarHBondContact CD2-O 3.45Å; L246-V268 HydrophobicContact CD2-CG2 4.42Å; L246-L279 HydrophobicContact CD1-CD1 3.76Å | ||
| 247 | H | 92.6 | Very high | 91.6 | Very high | 128 Ų | 128 | 76.3 Ų | 76.3 | 59% | 0.593 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 122.8 | -178.4 | -168.7 | -97.7 | 0 | 0 | 0 | 110.5 | E245 V266 D267 | E245-H247 PolarHBondContact O-N 3.25Å; H247-V266 CarbonylContact O-C 3.52Å; H247-V266 WeakPolarHBondContact O-CA 3.48Å; H247-D267 HydrophobicContact CB-CB 4.22Å; H247-D267 IonicContact ND1-OD2 3.5Å; H247-D267 PolarHBondContact O-N 2.91Å |
| 248 | V | 92.1 | Very high | 91.2 | Very high | 41 Ų | 41 | 78.2 Ų | 78.2 | 25% | 0.248 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 115.2 | -177.5 | 177 | 0 | 0 | 0 | 0 | 109.9 | M238 L241 L246 A251 V264 V266 | M238-V248 HydrophobicContact CE-CG2 3.96Å; M238-V248 HydrophobicContact SD-CG2 4.39Å; L241-V248 HydrophobicContact CD1-CG2 3.96Å; L246-V248 PolarHBondContact O-N 2.89Å; V248-A251 HydrophobicContact CG1-CB 4Å; V248-V264 HydrophobicContact CB-CG1 4.36Å; V248-V264 HydrophobicContact CG1-CG1 3.56Å; V248-V264 HydrophobicContact CG2-CG1 4.02Å; V248-V266 HydrophobicContact CG2-CG1 3.99Å |
| 249 | Q | 90.4 | Very high | 90.9 | Very high | 113 Ų | 113 | 78.3 Ų | 78.3 | 53% | 0.528 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | -43.8 | 174.8 | -61.1 | -173.5 | 4.4 | 0 | 0 | 111.9 | V265 D267 | Q249-V265 HydrophobicContact CB-CB 4.47Å; Q249-V265 HydrophobicContact CB-CG1 4.33Å; Q249-V265 PolarHBondContact N-O 3.33Å; Q249-D267 PolarHBondContact NE2-OD1 3.49Å |
| 250 | H | 89 | Confident | 90.7 | Very high | 60 Ų | 60 | 77.8 Ų | 77.8 | 28% | 0.278 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 141.3 | -177.9 | -172.7 | 84.7 | 0 | 0 | 0 | 109.9 | W184 V264 V265 | W184-H250 AromaticContact CD2-CE1 3.94Å; W184-H250 AromaticContact CD2-NE2 3.52Å; W184-H250 AromaticContact CE2-CD2 3.31Å; W184-H250 AromaticContact CE2-CE1 3.97Å; W184-H250 AromaticContact CE2-CG 3.99Å; W184-H250 AromaticContact CE2-NE2 3.33Å; W184-H250 VanDerWaalsContact CE2-NE2 3.33Å; W184-H250 AromaticContact CE3-CE1 3.72Å; W184-H250 AromaticContact CE3-NE2 3.79Å; W184-H250 HydrophobicContact CH2-CB 3.96Å; W184-H250 AromaticContact CH2-CD2 3.58Å; W184-H250 AromaticContact CH2-CE1 3.62Å; W184-H250 AromaticContact CH2-CG 3.36Å; W184-H250 AromaticContact CH2-ND1 3.4Å; W184-H250 WeakPolarHBondContact CH2-ND1 3.35Å; W184-H250 AromaticContact CH2-NE2 3.76Å; W184-H250 HydrophobicContact CZ2-CB 3.91Å; W184-H250 AromaticContact CZ2-CD2 3.09Å; W184-H250 WeakPolarHBondContact CZ2-CD2 3.32Å; W184-H250 AromaticContact CZ2-CE1 3.85Å; W184-H250 AromaticContact CZ2-CG 3.31Å; W184-H250 AromaticContact CZ2-ND1 3.79Å; W184-H250 AromaticContact CZ2-NE2 3.49Å; W184-H250 WeakPolarHBondContact CZ2-NE2 3.44Å; W184-H250 AromaticContact CZ3-CE1 3.54Å; W184-H250 AromaticContact CZ3-ND1 3.69Å; W184-H250 AromaticContact CZ3-NE2 3.9Å; W184-H250 AromaticContact NE1-CD2 3.72Å; W184-H250 AromaticContact NE1-NE2 3.78Å; H250-V264 CarbonylContact O-C 3.53Å; H250-V264 VanDerWaalsContact O-CA 3.31Å; H250-V264 WeakPolarHBondContact O-CA 3.37Å; H250-V264 WeakPolarHBondContact O-CG1 3.31Å; H250-V265 HydrophobicContact CB-CB 4.4Å; H250-V265 PolarHBondContact N-O 3.41Å; H250-V265 PolarHBondContact O-N 2.92Å |
| 251 | A | 92 | Very high | 90.5 | Very high | 48 Ų | 48 | 78.8 Ų | 78.8 | 40% | 0.397 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 133.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110 | V248 L262 D263 V264 | V248-A251 HydrophobicContact CG1-CB 4Å; A251-L262 HydrophobicContact CB-CD1 4.41Å; A251-D263 WeakPolarHBondContact CA-O 3.47Å; A251-V264 HydrophobicContact CB-CG1 4.25Å; A251-V264 HydrophobicContact CB-CG2 4.16Å |
| 252 | C | 91.5 | Very high | 90.5 | Very high | 35 Ų | 35 | 79 Ų | 79 | 24% | 0.236 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 133.2 | 171.7 | 65.4 | 0 | 0 | 0 | 0 | 110.6 | L262 D263 | C252-L262 WeakPolarHBondContact O-CA 3.44Å; C252-L262 WeakPolarHBondContact O-CD1 3.32Å; C252-D263 PolarHBondContact N-O 3.36Å; C252-D263 PolarHBondContact O-N 2.96Å |
| 253 | V | 92.1 | Very high | 90.3 | Very high | 78 Ų | 78 | 72.9 Ų | 72.9 | 47% | 0.473 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 130.4 | 176.9 | -178.6 | 0 | 0 | 0 | 0 | 108.3 | P234 L262 | P234-V253 HydrophobicContact CB-CG1 4.46Å; P234-V253 HydrophobicContact CB-CG2 3.86Å; P234-V253 HydrophobicContact CG-CG1 3.65Å; P234-V253 HydrophobicContact CG-CG2 3.95Å; V253-L262 HydrophobicContact CG2-CB 4.41Å; V253-L262 HydrophobicContact CG2-CD1 3.57Å; V253-L262 HydrophobicContact CG2-CD2 4.3Å; V253-L262 HydrophobicContact CG2-CG 4.3Å |
| 254 | T | 89.7 | Confident | 90.3 | Very high | 70 Ų | 70 | 68.8 Ų | 68.8 | 43% | 0.429 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 147.4 | 169 | 59.3 | 0 | 0 | 0 | 0 | 109.7 | T260 V261 | T254-T260 CarbonylContact O-C 3.6Å; T254-T260 WeakPolarHBondContact O-CA 3.01Å; T254-V261 PolarHBondContact N-O 2.92Å; T254-V261 PolarHBondContact O-N 3.26Å; T254-V261 PolarHBondContact OG1-O 3.13Å |
| 255 | R | 90.2 | Very high | 90.4 | Very high | 174 Ų | 174 | 67.4 Ų | 67.4 | 66% | 0.657 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 119.7 | 175 | -170.9 | 173.9 | -170 | -176.8 | 1.1 | 109 | V259 T260 | R255-V259 CarbonylContact C-O 3.59Å; R255-V259 WeakPolarHBondContact CA-O 3.04Å; R255-T260 HydrophobicContact CB-CG2 4.16Å; R255-T260 HydrophobicContact CG-CG2 3.76Å |
| 256 | V | 85.2 | Confident | 90.4 | Very high | 86 Ų | 86 | 58.6 Ų | 58.6 | 52% | 0.521 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 128.9 | -177.3 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | G258 V259 | V256-G258 PolarHBondContact O-N 2.8Å; V256-G258 VanDerWaalsContact O-N 3.12Å; V256-V259 PolarHBondContact N-O 3.37Å; V256-V259 PolarHBondContact O-N 2.96Å |
| 257 | N | 87.5 | Confident | 90.3 | Very high | 162 Ų | 162 | 60.5 Ų | 60.5 | 87% | 0.866 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 37.6 | 176.5 | -60.4 | -22.8 | 0 | 0 | 0 | 114.7 | V259 | N257-V259 PolarHBondContact O-N 3.46Š|
| 258 | G | 83.9 | Confident | 90 | Very high | 39 Ų | 39 | 54.6 Ų | 54.6 | 40% | 0.402 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | -15.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | V256 | V256-G258 PolarHBondContact O-N 2.8Å; V256-G258 VanDerWaalsContact O-N 3.12Å |
| 259 | V | 88.5 | Confident | 89 | Confident | 62 Ų | 62 | 55.9 Ų | 55.9 | 38% | 0.376 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 133.6 | 175.7 | -176.4 | 0 | 0 | 0 | 0 | 109.9 | R255 V256 N257 V261 | R255-V259 CarbonylContact C-O 3.59Å; R255-V259 WeakPolarHBondContact CA-O 3.04Å; V256-V259 PolarHBondContact N-O 3.37Å; V256-V259 PolarHBondContact O-N 2.96Å; N257-V259 PolarHBondContact O-N 3.46Å; V259-V261 HydrophobicContact CG1-CG2 4.46Å |
| 260 | T | 90.4 | Very high | 87.8 | Confident | 14 Ų | 14 | 55 Ų | 55 | 9% | 0.086 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 132.5 | 171.6 | 56 | 0 | 0 | 0 | 0 | 109.7 | T227 S228 A233 T254 R255 | T227-T260 CarbonylContact C-O 3.6Å; T227-T260 WeakPolarHBondContact CA-O 3.32Å; S228-T260 PolarHBondContact N-O 3.1Å; S228-T260 PolarHBondContact O-N 3.25Å; S228-T260 PolarHBondContact O-OG1 3.46Å; A233-T260 WeakPolarHBondContact CB-OG1 3.41Å; T254-T260 CarbonylContact O-C 3.6Å; T254-T260 WeakPolarHBondContact O-CA 3.01Å; R255-T260 HydrophobicContact CB-CG2 4.16Å; R255-T260 HydrophobicContact CG-CG2 3.76Å |
| 261 | V | 91.1 | Very high | 86.2 | Confident | 23 Ų | 23 | 57.2 Ų | 57.2 | 14% | 0.139 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 123.8 | 175 | -176.5 | 0 | 0 | 0 | 0 | 107.8 | R225 A226 T227 T254 V259 | R225-V261 HydrophobicContact CG-CG1 4.38Å; A226-V261 CarbonylContact O-C 3.59Å; A226-V261 WeakPolarHBondContact O-CA 3.38Å; T227-V261 HydrophobicContact CG2-CB 4.46Å; T227-V261 HydrophobicContact CG2-CG1 4.08Å; T227-V261 HydrophobicContact CG2-CG2 4.03Å; T254-V261 PolarHBondContact N-O 2.92Å; T254-V261 PolarHBondContact O-N 3.26Å; T254-V261 PolarHBondContact OG1-O 3.13Å; V259-V261 HydrophobicContact CG1-CG2 4.46Å |
| 262 | L | 92.7 | Very high | 84.5 | Confident | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.026 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 116.9 | 179 | 170.4 | 49.9 | 0 | 0 | 0 | 109.1 | R225 A226 P234 L237 A251 C252 V253 V264 | R225-L262 CarbonylContact C-O 3.55Å; R225-L262 WeakPolarHBondContact CA-O 3.49Å; A226-L262 PolarHBondContact N-O 2.84Å; A226-L262 PolarHBondContact O-N 2.67Å; P234-L262 HydrophobicContact CB-CD2 3.97Å; L237-L262 HydrophobicContact CB-CD2 3.91Å; L237-L262 HydrophobicContact CD2-CB 4.32Å; L237-L262 HydrophobicContact CD2-CD2 3.36Å; L237-L262 HydrophobicContact CD2-CG 3.57Å; L237-L262 HydrophobicContact CG-CD2 4.16Å; A251-L262 HydrophobicContact CB-CD1 4.41Å; C252-L262 WeakPolarHBondContact O-CA 3.44Å; C252-L262 WeakPolarHBondContact O-CD1 3.32Å; V253-L262 HydrophobicContact CG2-CB 4.41Å; V253-L262 HydrophobicContact CG2-CD1 3.57Å; V253-L262 HydrophobicContact CG2-CD2 4.3Å; V253-L262 HydrophobicContact CG2-CG 4.3Å; L262-V264 HydrophobicContact CD1-CG2 3.46Å; L262-V264 VanDerWaalsContact CD1-CG2 3.46Å; L262-V264 HydrophobicContact CD2-CG2 4.13Å; L262-V264 HydrophobicContact CG-CG2 3.59Å |
| 263 | D | 91.6 | Very high | 82.7 | Confident | 49 Ų | 49 | 61.2 Ų | 61.2 | 26% | 0.262 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 125.1 | 173.3 | -57.9 | -55.1 | 0 | 0 | 0 | 108.8 | V224 R225 A251 C252 | V224-D263 CarbonylContact O-C 3.53Å; V224-D263 WeakPolarHBondContact O-CA 3.45Å; R225-D263 WeakPolarHBondContact CB-OD1 3.38Å; R225-D263 WeakPolarHBondContact CD-OD1 3.31Å; R225-D263 WeakPolarHBondContact CG-OD1 3.35Å; R225-D263 IonicContact NE-OD1 3.23Å; R225-D263 PolarHBondContact NE-OD1 3.37Å; A251-D263 WeakPolarHBondContact CA-O 3.47Å; C252-D263 PolarHBondContact N-O 3.36Å; C252-D263 PolarHBondContact O-N 2.96Å |
| 264 | V | 92.4 | Very high | 81.1 | Confident | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.018 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 139.9 | -175.7 | -169.1 | 0 | 0 | 0 | 0 | 109.8 | A223 V224 L237 L241 V248 H250 A251 L262 V266 | A223-V264 CarbonylContact C-O 3.53Å; A223-V264 WeakPolarHBondContact CA-O 3.39Å; V224-V264 HydrophobicContact CB-CB 4.49Å; V224-V264 PolarHBondContact N-O 3.1Å; V224-V264 PolarHBondContact O-N 3.44Å; L237-V264 HydrophobicContact CD2-CG2 3.77Å; L241-V264 HydrophobicContact CD1-CB 4.31Å; L241-V264 HydrophobicContact CD1-CG1 3.79Å; L241-V264 HydrophobicContact CD1-CG2 4.31Å; V248-V264 HydrophobicContact CB-CG1 4.36Å; V248-V264 HydrophobicContact CG1-CG1 3.56Å; V248-V264 HydrophobicContact CG2-CG1 4.02Å; H250-V264 CarbonylContact O-C 3.53Å; H250-V264 VanDerWaalsContact O-CA 3.31Å; H250-V264 WeakPolarHBondContact O-CA 3.37Å; H250-V264 WeakPolarHBondContact O-CG1 3.31Å; A251-V264 HydrophobicContact CB-CG1 4.25Å; A251-V264 HydrophobicContact CB-CG2 4.16Å; L262-V264 HydrophobicContact CD1-CG2 3.46Å; L262-V264 VanDerWaalsContact CD1-CG2 3.46Å; L262-V264 HydrophobicContact CD2-CG2 4.13Å; L262-V264 HydrophobicContact CG-CG2 3.59Å; V264-V266 HydrophobicContact CG1-CG1 3.68Å |
| 265 | V | 91.7 | Very high | 79.7 | Confident | 23 Ų | 23 | 67.5 Ų | 67.5 | 14% | 0.139 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 125.8 | 167.8 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | L217 A222 Q249 H250 | L217-V265 HydrophobicContact CD1-CG1 3.91Å; L217-V265 HydrophobicContact CD1-CG2 4.32Å; A222-V265 WeakPolarHBondContact O-CA 3.37Å; Q249-V265 HydrophobicContact CB-CB 4.47Å; Q249-V265 HydrophobicContact CB-CG1 4.33Å; Q249-V265 PolarHBondContact N-O 3.33Å; H250-V265 HydrophobicContact CB-CB 4.4Å; H250-V265 PolarHBondContact N-O 3.41Å; H250-V265 PolarHBondContact O-N 2.92Å |
| 266 | V | 91.8 | Very high | 78.2 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 147.1 | -177.7 | -59.1 | 0 | 0 | 0 | 0 | 112.2 | A221 A222 V224 L241 L246 H247 V248 V264 V268 | A221-V266 CarbonylContact C-O 3.53Å; A221-V266 VanDerWaalsContact CA-O 3.29Å; A221-V266 WeakPolarHBondContact CA-O 3.32Å; A222-V266 HydrophobicContact CB-CG2 4.16Å; A222-V266 PolarHBondContact N-O 3.02Å; A222-V266 PolarHBondContact O-N 3.11Å; V224-V266 HydrophobicContact CG2-CG2 4.28Å; L241-V266 HydrophobicContact CD1-CG1 4.04Å; L241-V266 HydrophobicContact CD2-CG1 3.91Å; L246-V266 HydrophobicContact CB-CB 4.17Å; L246-V266 HydrophobicContact CB-CG1 4.47Å; L246-V266 HydrophobicContact CB-CG2 4.44Å; L246-V266 HydrophobicContact CD1-CG2 4.32Å; H247-V266 CarbonylContact O-C 3.52Å; H247-V266 WeakPolarHBondContact O-CA 3.48Å; V248-V266 HydrophobicContact CG2-CG1 3.99Å; V264-V266 HydrophobicContact CG1-CG1 3.68Å; V266-V268 HydrophobicContact CG2-CG2 4.04Å |
| 267 | D | 91 | Very high | 77.5 | Confident | 58 Ų | 58 | 62.8 Ų | 62.8 | 31% | 0.31 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 126.3 | 165.7 | -66.8 | -47.4 | 0 | 0 | 0 | 109.2 | D220 L246 H247 Q249 | D220-D267 CarbonylContact O-C 3.53Å; D220-D267 VanDerWaalsContact O-CA 3.31Å; D220-D267 WeakPolarHBondContact O-CA 3.22Å; L246-D267 WeakPolarHBondContact CD2-O 3.45Å; H247-D267 HydrophobicContact CB-CB 4.22Å; H247-D267 IonicContact ND1-OD2 3.5Å; H247-D267 PolarHBondContact O-N 2.91Å; Q249-D267 PolarHBondContact NE2-OD1 3.49Å |
| 268 | V | 84.9 | Confident | 77.3 | Confident | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.018 | 35% | 0.348 | C | S | . | . | trans | -111.3 | 108.6 | 177.2 | -177.7 | 0 | 0 | 0 | 0 | 107.2 | M216 D220 A222 L246 V266 L272 L279 | M216-V268 HydrophobicContact CE-CB 4.3Å; M216-V268 HydrophobicContact CE-CG1 4.35Å; M216-V268 HydrophobicContact CE-CG2 4.43Å; D220-V268 CarbonylContact C-O 3.53Å; D220-V268 WeakPolarHBondContact CA-O 3.37Å; D220-V268 PolarHBondContact O-N 2.94Å; A222-V268 HydrophobicContact CB-CG2 3.49Å; A222-V268 VanDerWaalsContact CB-CG2 3.49Å; L246-V268 HydrophobicContact CD2-CG2 4.42Å; V266-V268 HydrophobicContact CG2-CG2 4.04Å; V268-L272 HydrophobicContact CG1-CB 4.04Å; V268-L279 HydrophobicContact CG2-CD2 4.14Å | ||
| 269 | A | 72.6 | Confident | 77.5 | Confident | 69 Ų | 69 | 55 Ų | 55 | 57% | 0.57 | 33% | 0.33 | S | S | * | . | trans | -62.9 | 143 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | P271 L272 | A269-P271 HydrophobicContact CB-CG 4.38Å; A269-P271 WeakPolarHBondContact O-CD 3.44Å; A269-L272 PolarHBondContact O-N 3.06Å | ||
| 270 | T | 63.4 | Low | 77.5 | Confident | 94 Ų | 94 | 57.8 Ų | 57.8 | 58% | 0.577 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -41.2 | -27.7 | -178.4 | 51.7 | 0 | 0 | 0 | 0 | 118.1 | L272 | T270-L272 PolarHBondContact O-N 2.67Š|
| 271 | P | 55.5 | Low | 77.5 | Confident | 107 Ų | 107 | 59.9 Ų | 59.9 | 70% | 0.695 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -69 | 4.6 | -178.9 | 24.2 | -37 | 0 | 0 | 0 | 117.8 | A269 | A269-P271 HydrophobicContact CB-CG 4.38Å; A269-P271 WeakPolarHBondContact O-CD 3.44Å |
| 272 | L | 56.5 | Low | 77.5 | Confident | 67 Ų | 67 | 61.5 Ų | 61.5 | 35% | 0.351 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -109.6 | 7.1 | 176.7 | -109.4 | 89.2 | 0 | 0 | 0 | 116 | V268 A269 T270 D274 L279 | V268-L272 HydrophobicContact CG1-CB 4.04Å; A269-L272 PolarHBondContact O-N 3.06Å; T270-L272 PolarHBondContact O-N 2.67Å; L272-D274 PolarHBondContact O-N 2.86Å; L272-L279 HydrophobicContact CD2-CB 3.81Å; L272-L279 HydrophobicContact CD2-CD1 3.6Å; L272-L279 HydrophobicContact CD2-CG 4.16Å |
| 273 | Q | 55.2 | Low | 77.4 | Confident | 99 Ų | 99 | 61.3 Ų | 61.3 | 46% | 0.463 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -4.1 | -171.9 | -80 | -172.6 | 25.1 | 0 | 0 | 116.5 | P219 D275 | P219-Q273 PolarHBondContact O-NE2 2.8Å; Q273-D275 VanDerWaalsContact C-N 3.29Å; Q273-D275 PolarHBondContact O-N 3.33Å |
| 274 | D | 57.6 | Low | 77.4 | Confident | 157 Ų | 157 | 60.2 Ų | 60.2 | 84% | 0.84 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -13.4 | -170.1 | -87 | -39 | 0 | 0 | 0 | 115.2 | L272 | L272-D274 PolarHBondContact O-N 2.86Š|
| 275 | D | 59.3 | Low | 77.3 | Confident | 124 Ų | 124 | 64.8 Ų | 64.8 | 66% | 0.663 | 38% | 0.377 | S | S | * | . | trans | -153.6 | 125.3 | 169.2 | -82.4 | -64.2 | 0 | 0 | 0 | 110.1 | Q273 G277 G278 | Q273-D275 VanDerWaalsContact C-N 3.29Å; Q273-D275 PolarHBondContact O-N 3.33Å; D275-G277 PolarHBondContact O-N 3.12Å; D275-G278 PolarHBondContact O-N 3.44Å | ||
| 276 | D | 59.4 | Low | 77.2 | Confident | 120 Ų | 120 | 65.4 Ų | 65.4 | 64% | 0.642 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -51 | -23.1 | 172.3 | -130.1 | -82 | 0 | 0 | 0 | 111.9 | ||
| 277 | G | 70 | Confident | 77.2 | Confident | 40 Ų | 40 | 65.5 Ų | 65.5 | 41% | 0.412 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -85.9 | -19.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | D275 A281 | D275-G277 PolarHBondContact O-N 3.12Å; G277-A281 VanDerWaalsContact O-CB 3.23Å; G277-A281 WeakPolarHBondContact O-CB 3.15Å; G277-A281 PolarHBondContact O-N 3.39Å |
| 278 | G | 83.8 | Confident | 77 | Confident | 31 Ų | 31 | 68 Ų | 68 | 32% | 0.32 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.4 | -51.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | D275 R280 A281 T282 | D275-G278 PolarHBondContact O-N 3.44Å; G278-R280 PolarHBondContact O-N 3.12Å; G278-A281 PolarHBondContact O-N 3.39Å; G278-T282 WeakPolarHBondContact O-CB 3.44Å; G278-T282 PolarHBondContact O-N 3.03Å; G278-T282 PolarHBondContact O-OG1 3.18Å |
| 279 | L | 87.4 | Confident | 76.9 | Confident | 6 Ų | 6 | 73.5 Ų | 73.5 | 3% | 0.031 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 176.2 | 179.5 | 51 | 0 | 0 | 0 | 110.9 | V214 A222 L244 L246 V268 L272 A281 T282 L283 | V214-L279 HydrophobicContact CG1-CB 4.45Å; V214-L279 HydrophobicContact CG1-CD2 3.76Å; V214-L279 HydrophobicContact CG1-CG 4.13Å; V214-L279 HydrophobicContact CG2-CG 4.35Å; A222-L279 HydrophobicContact CB-CD2 4.3Å; L244-L279 HydrophobicContact CD1-CD1 3.97Å; L246-L279 HydrophobicContact CD1-CD1 3.76Å; V268-L279 HydrophobicContact CG2-CD2 4.14Å; L272-L279 HydrophobicContact CD2-CB 3.81Å; L272-L279 HydrophobicContact CD2-CD1 3.6Å; L272-L279 HydrophobicContact CD2-CG 4.16Å; L279-A281 PolarHBondContact O-N 2.93Å; L279-T282 PolarHBondContact O-N 3.14Å; L279-L283 HydrophobicContact CD1-CD1 3.81Å; L279-L283 HydrophobicContact CD1-CD2 4.41Å; L279-L283 HydrophobicContact CD1-CG 3.85Å; L279-L283 HydrophobicContact CG-CD1 3.98Å; L279-L283 HydrophobicContact CG-CG 4.42Å; L279-L283 WeakPolarHBondContact O-CB 3.47Å; L279-L283 VanDerWaalsContact O-CG 3.29Å; L279-L283 WeakPolarHBondContact O-CG 3.45Å; L279-L283 PolarHBondContact O-N 2.99Å |
| 280 | R | 89.5 | Confident | 76.8 | Confident | 121 Ų | 121 | 75 Ų | 75 | 46% | 0.457 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.2 | -50.5 | 178.6 | 179.9 | -176 | 173.7 | -124.2 | -3.5 | 111.9 | V212 V214 G278 T282 L283 L284 | V212-R280 WeakPolarHBondContact O-CD 3.29Å; V212-R280 WeakPolarHBondContact O-CG 3.48Å; V212-R280 PolarHBondContact O-NE 3Å; V214-R280 HydrophobicContact CB-CB 4.27Å; V214-R280 HydrophobicContact CG2-CB 3.77Å; V214-R280 HydrophobicContact CG2-CG 4.34Å; G278-R280 PolarHBondContact O-N 3.12Å; R280-T282 VanDerWaalsContact C-N 3.34Å; R280-L283 PolarHBondContact O-N 2.76Å; R280-L284 HydrophobicContact CG-CD1 4.13Å; R280-L284 WeakPolarHBondContact O-CG 3.38Å; R280-L284 PolarHBondContact O-N 3.44Å |
| 281 | A | 89.6 | Confident | 77.5 | Confident | 59 Ų | 59 | 74 Ų | 74 | 49% | 0.488 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.6 | -42 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | G277 G278 L279 L284 Q285 | G277-A281 VanDerWaalsContact O-CB 3.23Å; G277-A281 WeakPolarHBondContact O-CB 3.15Å; G277-A281 PolarHBondContact O-N 3.39Å; G278-A281 PolarHBondContact O-N 3.39Å; L279-A281 PolarHBondContact O-N 2.93Å; A281-L284 PolarHBondContact O-N 2.88Å; A281-Q285 WeakPolarHBondContact O-CB 3.44Å; A281-Q285 PolarHBondContact O-N 3.42Å |
| 282 | T | 91.3 | Very high | 78.6 | Confident | 57 Ų | 57 | 72.3 Ų | 72.3 | 35% | 0.35 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 178.5 | -53.1 | 0 | 0 | 0 | 0 | 111.8 | L244 G278 L279 R280 Q285 M286 | L244-T282 HydrophobicContact CD1-CG2 4.12Å; L244-T282 HydrophobicContact CD2-CG2 3.89Å; G278-T282 WeakPolarHBondContact O-CB 3.44Å; G278-T282 PolarHBondContact O-N 3.03Å; G278-T282 PolarHBondContact O-OG1 3.18Å; L279-T282 PolarHBondContact O-N 3.14Å; R280-T282 VanDerWaalsContact C-N 3.34Å; T282-Q285 PolarHBondContact O-N 3.1Å; T282-M286 HydrophobicContact CG2-CE 4.32Å; T282-M286 WeakPolarHBondContact O-CG 3.45Å; T282-M286 PolarHBondContact O-N 3.3Å |
| 283 | L | 92 | Very high | 79.9 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 176.1 | -71.4 | 174.6 | 0 | 0 | 0 | 112.2 | V212 V214 V224 A240 L241 L244 L279 R280 M286 M287 | V212-L283 HydrophobicContact CG1-CB 4.38Å; V212-L283 HydrophobicContact CG1-CD1 4.5Å; V214-L283 HydrophobicContact CG2-CD1 4.1Å; V224-L283 HydrophobicContact CG1-CD1 3.88Å; V224-L283 HydrophobicContact CG2-CD1 3.97Å; A240-L283 HydrophobicContact CB-CD2 4.03Å; L241-L283 HydrophobicContact CD2-CD1 4.39Å; L241-L283 HydrophobicContact CD2-CD2 3.79Å; L241-L283 HydrophobicContact CG-CD2 4.42Å; L244-L283 HydrophobicContact CD1-CD2 3.71Å; L244-L283 HydrophobicContact CD1-CG 4.3Å; L279-L283 HydrophobicContact CD1-CD1 3.81Å; L279-L283 HydrophobicContact CD1-CD2 4.41Å; L279-L283 HydrophobicContact CD1-CG 3.85Å; L279-L283 HydrophobicContact CG-CD1 3.98Å; L279-L283 HydrophobicContact CG-CG 4.42Å; L279-L283 WeakPolarHBondContact O-CB 3.47Å; L279-L283 VanDerWaalsContact O-CG 3.29Å; L279-L283 WeakPolarHBondContact O-CG 3.45Å; L279-L283 PolarHBondContact O-N 2.99Å; R280-L283 PolarHBondContact O-N 2.76Å; L283-M286 HydrophobicContact CD2-CE 4.07Å; L283-M286 PolarHBondContact O-N 2.82Å; L283-M287 WeakPolarHBondContact O-CB 3.34Å; L283-M287 VanDerWaalsContact O-CG 3.27Å; L283-M287 WeakPolarHBondContact O-CG 3.39Å; L283-M287 PolarHBondContact O-N 2.71Å |
| 284 | L | 91.4 | Very high | 81.3 | Confident | 27 Ų | 27 | 71 Ų | 71 | 14% | 0.141 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -59.5 | -46.6 | 175.9 | -80 | 167.5 | 0 | 0 | 0 | 111.8 | V212 R280 A281 M287 Q288 | V212-L284 HydrophobicContact CB-CD1 4.33Å; V212-L284 HydrophobicContact CB-CD2 3.62Å; V212-L284 HydrophobicContact CB-CG 3.7Å; V212-L284 HydrophobicContact CG2-CD2 3.37Å; V212-L284 HydrophobicContact CG2-CG 3.85Å; R280-L284 HydrophobicContact CG-CD1 4.13Å; R280-L284 WeakPolarHBondContact O-CG 3.38Å; R280-L284 PolarHBondContact O-N 3.44Å; A281-L284 PolarHBondContact O-N 2.88Å; L284-M287 PolarHBondContact O-N 2.75Å; L284-Q288 VanDerWaalsContact O-CG 3.32Å; L284-Q288 WeakPolarHBondContact O-CG 3.12Å; L284-Q288 PolarHBondContact O-N 3.43Å; L284-Q288 VanDerWaalsContact O-N 3.09Å |
| 285 | Q | 90.4 | Very high | 82.8 | Confident | 98 Ų | 98 | 65.6 Ų | 65.6 | 46% | 0.458 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.1 | -50.7 | 179.8 | -176.2 | 58.7 | 53.9 | 0 | 0 | 111.1 | A281 T282 M287 Q288 D289 | A281-Q285 WeakPolarHBondContact O-CB 3.44Å; A281-Q285 PolarHBondContact O-N 3.42Å; T282-Q285 PolarHBondContact O-N 3.1Å; Q285-M287 VanDerWaalsContact C-N 3.3Å; Q285-M287 PolarHBondContact O-N 3.46Å; Q285-Q288 PolarHBondContact O-N 2.93Å; Q285-Q288 VanDerWaalsContact O-N 3.11Å; Q285-D289 VanDerWaalsContact NE2-CG 3.27Å; Q285-D289 PolarHBondContact NE2-OD1 2.87Å; Q285-D289 PolarHBondContact NE2-OD2 3.04Å; Q285-D289 VanDerWaalsContact O-CG 3.3Å; Q285-D289 PolarHBondContact O-N 3.45Å |
| 286 | M | 89.8 | Confident | 84.4 | Confident | 37 Ų | 37 | 61.7 Ų | 61.7 | 18% | 0.182 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.8 | -30.9 | -179.6 | -71.7 | -168.2 | -55.6 | 0 | 0 | 113.7 | A240 L244 T282 L283 Q288 S290 | A240-M286 VanDerWaalsContact CA-CE 3.46Å; A240-M286 HydrophobicContact CB-CB 3.89Å; A240-M286 HydrophobicContact CB-CE 3.5Å; A240-M286 WeakPolarHBondContact O-CE 3.42Å; L244-M286 HydrophobicContact CD1-CE 3.4Å; L244-M286 VanDerWaalsContact CD1-CE 3.4Å; L244-M286 HydrophobicContact CD2-CE 4.27Å; L244-M286 HydrophobicContact CG-CE 3.52Å; L244-M286 HydrophobicContact CG-SD 4.23Å; T282-M286 HydrophobicContact CG2-CE 4.32Å; T282-M286 WeakPolarHBondContact O-CG 3.45Å; T282-M286 PolarHBondContact O-N 3.3Å; L283-M286 HydrophobicContact CD2-CE 4.07Å; L283-M286 PolarHBondContact O-N 2.82Å; M286-Q288 VanDerWaalsContact C-N 3.33Å; M286-S290 PolarHBondContact O-N 2.99Å; M286-S290 PolarHBondContact O-OG 2.96Å |
| 287 | M | 90.3 | Very high | 86.1 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.7 | -33.7 | 174 | -76.7 | -178.2 | 61.6 | 0 | 0 | 112.2 | V212 A226 R236 L237 A240 L283 L284 Q285 | V212-M287 HydrophobicContact CG2-SD 3.71Å; A226-M287 HydrophobicContact CB-CE 4.2Å; A226-M287 HydrophobicContact CB-SD 4.34Å; R236-M287 HydrophobicContact CB-CG 4.38Å; R236-M287 WeakPolarHBondContact CD-O 3.37Å; R236-M287 PolarHBondContact NH1-O 2.77Å; L237-M287 HydrophobicContact CB-CE 4.3Å; L237-M287 HydrophobicContact CB-SD 3.92Å; L237-M287 HydrophobicContact CD1-CG 4.39Å; L237-M287 HydrophobicContact CD1-SD 3.5Å; L237-M287 WeakPolarHBondContact CD1-SD 3.41Å; L237-M287 HydrophobicContact CG-SD 4.29Å; A240-M287 HydrophobicContact CB-CG 4.25Å; L283-M287 WeakPolarHBondContact O-CB 3.34Å; L283-M287 VanDerWaalsContact O-CG 3.27Å; L283-M287 WeakPolarHBondContact O-CG 3.39Å; L283-M287 PolarHBondContact O-N 2.71Å; L284-M287 PolarHBondContact O-N 2.75Å; Q285-M287 VanDerWaalsContact C-N 3.3Å; Q285-M287 PolarHBondContact O-N 3.46Å |
| 288 | Q | 87.1 | Confident | 87.4 | Confident | 112 Ų | 112 | 58.9 Ų | 58.9 | 52% | 0.523 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -76.1 | -29.9 | 176.6 | -69.6 | 173.2 | 3.1 | 0 | 0 | 112.6 | L284 Q285 M286 | L284-Q288 VanDerWaalsContact O-CG 3.32Å; L284-Q288 WeakPolarHBondContact O-CG 3.12Å; L284-Q288 PolarHBondContact O-N 3.43Å; L284-Q288 VanDerWaalsContact O-N 3.09Å; Q285-Q288 PolarHBondContact O-N 2.93Å; Q285-Q288 VanDerWaalsContact O-N 3.11Å; M286-Q288 VanDerWaalsContact C-N 3.33Å |
| 289 | D | 83.6 | Confident | 87.7 | Confident | 117 Ų | 117 | 61.3 Ų | 61.3 | 63% | 0.626 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -80.4 | -12.7 | 178.9 | -66.5 | -27.8 | 0 | 0 | 0 | 113.9 | Q285 | Q285-D289 VanDerWaalsContact NE2-CG 3.27Å; Q285-D289 PolarHBondContact NE2-OD1 2.87Å; Q285-D289 PolarHBondContact NE2-OD2 3.04Å; Q285-D289 VanDerWaalsContact O-CG 3.3Å; Q285-D289 PolarHBondContact O-N 3.45Å |
| 290 | S | 70.1 | Confident | 87.7 | Confident | 100 Ų | 100 | 66.3 Ų | 66.3 | 70% | 0.699 | 36% | 0.357 | S | S | * | . | trans | -95.3 | 0 | 179.5 | -64.7 | 0 | 0 | 0 | 0 | 113.8 | R236 M286 | R236-S290 WeakPolarHBondContact CD-OXT 3.36Å; R236-S290 PolarHBondContact NH1-OXT 3.42Å; M286-S290 PolarHBondContact O-N 2.99Å; M286-S290 PolarHBondContact O-OG 2.96Å |
Retrieved 290 of 290 residues in 104.8 ms
(Link to these results)