| 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 | 46.7 | Very low | 56.4 | Low | 241 Ų | 241 | 129 Ų | 129 | 100% | 1.187 | 65% | 0.65 | S | S | * | * | 0 | 143 | 0 | -67 | 159.5 | 98.5 | 0 | 0 | 107.4 | |||||
| 2 | S | 50.9 | Low | 55.9 | Low | 65 Ų | 65 | 123.4 Ų | 123.4 | 46% | 0.455 | 65% | 0.649 | S | S | . | * | trans | -82.7 | 144.8 | -173 | -175.8 | 0 | 0 | 0 | 0 | 111.8 | F4 D5 | S2-F4 PolarHBondContact O-N 3.37Å; S2-F4 PolarHBondContact OG-N 3.17Å; S2-D5 PolarHBondContact O-N 2.82Å | ||
| 3 | L | 56.4 | Low | 55.7 | Low | 124 Ų | 124 | 125.5 Ų | 125.5 | 65% | 0.649 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -57.4 | -29.2 | 174.1 | -164.4 | 72.7 | 0 | 0 | 0 | 112 | D5 L6 F7 | L3-D5 VanDerWaalsContact C-N 3.33Å; L3-D5 PolarHBondContact O-N 3.12Å; L3-L6 PolarHBondContact O-N 2.92Å; L3-F7 PolarHBondContact O-N 2.98Å |
| 4 | F | 54.7 | Low | 55 | Low | 166 Ų | 166 | 125.6 Ų | 125.6 | 73% | 0.728 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -66.5 | -27.7 | 175.8 | -77.3 | -90.8 | 0 | 0 | 0 | 114 | S2 R8 | S2-F4 PolarHBondContact O-N 3.37Å; S2-F4 PolarHBondContact OG-N 3.17Å; F4-R8 WeakPolarHBondContact O-CG 3.46Å; F4-R8 PolarHBondContact O-N 3.23Å |
| 5 | D | 55.8 | Low | 54.7 | Low | 87 Ų | 87 | 119.8 Ų | 119.8 | 47% | 0.465 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -77.7 | -33.8 | 174.6 | -79.8 | -30.3 | 0 | 0 | 0 | 111.8 | S2 L3 F7 R8 G9 | S2-D5 PolarHBondContact O-N 2.82Å; L3-D5 VanDerWaalsContact C-N 3.33Å; L3-D5 PolarHBondContact O-N 3.12Å; D5-F7 VanDerWaalsContact C-N 3.33Å; D5-F7 PolarHBondContact O-N 2.93Å; D5-R8 PolarHBondContact O-N 3.11Å; D5-R8 IonicContact OD1-CZ 2.97Å; D5-R8 IonicContact OD1-NH1 2.93Å; D5-R8 PolarHBondContact OD1-NH1 2.82Å; D5-G9 PolarHBondContact O-N 3.45Å |
| 6 | L | 62.9 | Low | 54.3 | Low | 129 Ų | 129 | 120.4 Ų | 120.4 | 68% | 0.675 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -63.2 | -41.4 | 175 | -170.7 | 64 | 0 | 0 | 0 | 111.1 | L3 F10 | L3-L6 PolarHBondContact O-N 2.92Å; L6-F10 PolarHBondContact O-N 3.29Å |
| 7 | F | 59.1 | Low | 54.2 | Low | 131 Ų | 131 | 127.9 Ų | 127.9 | 58% | 0.575 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -66.7 | -37.7 | 173.7 | -101.6 | -93.6 | 0 | 0 | 0 | 113.4 | L3 D5 F10 F11 | L3-F7 PolarHBondContact O-N 2.98Å; D5-F7 VanDerWaalsContact C-N 3.33Å; D5-F7 PolarHBondContact O-N 2.93Å; F7-F10 PolarHBondContact O-N 3.13Å; F7-F11 HydrophobicContact CD1-CD2 4.06Å; F7-F11 AromaticContact CD1-CE2 3.79Å; F7-F11 HydrophobicContact CD1-CE2 3.79Å; F7-F11 AromaticContact CE1-CE2 3.9Å; F7-F11 HydrophobicContact CE1-CE2 3.9Å; F7-F11 PolarHBondContact O-N 2.82Å |
| 8 | R | 59.3 | Low | 53.8 | Low | 123 Ų | 123 | 127.3 Ų | 127.3 | 46% | 0.464 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -67.2 | -35.5 | 177.2 | -77 | 168.2 | 65.8 | -142.2 | 5.6 | 112.8 | F4 D5 F10 G12 | F4-R8 WeakPolarHBondContact O-CG 3.46Å; F4-R8 PolarHBondContact O-N 3.23Å; D5-R8 PolarHBondContact O-N 3.11Å; D5-R8 IonicContact OD1-CZ 2.97Å; D5-R8 IonicContact OD1-NH1 2.93Å; D5-R8 PolarHBondContact OD1-NH1 2.82Å; R8-F10 VanDerWaalsContact C-N 3.34Å; R8-G12 PolarHBondContact O-N 3.42Å |
| 9 | G | 58.2 | Low | 53.4 | Low | 68 Ų | 68 | 130.3 Ų | 130.3 | 70% | 0.701 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -64.8 | -34.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | D5 | D5-G9 PolarHBondContact O-N 3.45Å |
| 10 | F | 59.1 | Low | 53.1 | Low | 166 Ų | 166 | 135.1 Ų | 135.1 | 73% | 0.728 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -77.8 | -31.7 | -177.7 | -168.7 | -94.4 | 0 | 0 | 0 | 113.9 | L6 F7 R8 | L6-F10 PolarHBondContact O-N 3.29Å; F7-F10 PolarHBondContact O-N 3.13Å; R8-F10 VanDerWaalsContact C-N 3.34Å |
| 11 | F | 57.5 | Low | 52.7 | Low | 119 Ų | 119 | 133 Ų | 133 | 52% | 0.522 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -105.2 | 6.9 | -176 | -70.3 | -76.2 | 0 | 0 | 0 | 115.2 | F7 F13 | F7-F11 HydrophobicContact CD1-CD2 4.06Å; F7-F11 AromaticContact CD1-CE2 3.79Å; F7-F11 HydrophobicContact CD1-CE2 3.79Å; F7-F11 AromaticContact CE1-CE2 3.9Å; F7-F11 HydrophobicContact CE1-CE2 3.9Å; F7-F11 PolarHBondContact O-N 2.82Å; F11-F13 VanDerWaalsContact C-N 3.3Å; F11-F13 HydrophobicContact CB-CD2 3.88Å; F11-F13 HydrophobicContact CB-CE2 3.64Å; F11-F13 PolarHBondContact O-N 3.46Å; F11-F13 VanDerWaalsContact O-N 3.15Å |
| 12 | G | 50.4 | Low | 53.2 | Low | 62 Ų | 62 | 127.2 Ų | 127.2 | 64% | 0.639 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.3 | 15.3 | 164.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | R8 P14 | R8-G12 PolarHBondContact O-N 3.42Å; G12-P14 WeakPolarHBondContact O-CD 3.48Å |
| 13 | F | 52.5 | Low | 53.3 | Low | 150 Ų | 150 | 132.3 Ų | 132.3 | 66% | 0.658 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 118 | 179.3 | -68 | -74.5 | 0 | 0 | 0 | 111.6 | F11 G15 | F11-F13 VanDerWaalsContact C-N 3.3Å; F11-F13 HydrophobicContact CB-CD2 3.88Å; F11-F13 HydrophobicContact CB-CE2 3.64Å; F11-F13 PolarHBondContact O-N 3.46Å; F11-F13 VanDerWaalsContact O-N 3.15Å; F13-G15 PolarHBondContact O-N 3.28Å |
| 14 | P | 46.1 | Very low | 53 | Low | 127 Ų | 127 | 135 Ų | 135 | 83% | 0.825 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 117.6 | -176.9 | 27 | -33.6 | 0 | 0 | 0 | 111.1 | G12 | G12-P14 WeakPolarHBondContact O-CD 3.48Š|
| 15 | G | 50.3 | Low | 52.6 | Low | 39 Ų | 39 | 130.8 Ų | 130.8 | 40% | 0.402 | 69% | 0.693 | S | S | . | * | P | Polyproline II helix | trans | -69.6 | 161.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112 | F13 R17 | F13-G15 PolarHBondContact O-N 3.28Å; G15-R17 PolarHBondContact O-N 3.29Å |
| 16 | P | 49.4 | Very low | 52.1 | Low | 129 Ų | 129 | 129.9 Ų | 129.9 | 84% | 0.838 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -57.4 | 134.2 | 175.2 | 24.8 | -33.5 | 0 | 0 | 0 | 110.7 | S18 | P16-S18 PolarHBondContact O-N 2.94Å; P16-S18 VanDerWaalsContact O-N 3.12Å |
| 17 | R | 52.2 | Low | 51.3 | Low | 249 Ų | 249 | 132.5 Ų | 132.5 | 94% | 0.94 | 72% | 0.715 | S | S | * | * | trans | -43.8 | 111.7 | -172.3 | -72.3 | 171.7 | 151.2 | 101.7 | -4.1 | 113 | G15 | G15-R17 PolarHBondContact O-N 3.29Š| ||
| 18 | S | 47.2 | Very low | 50.7 | Low | 116 Ų | 116 | 132.9 Ų | 132.9 | 81% | 0.811 | 73% | 0.728 | S | S | * | * | trans | -111.2 | 147.6 | 154.8 | -169.8 | 0 | 0 | 0 | 0 | 108.9 | P16 | P16-S18 PolarHBondContact O-N 2.94Å; P16-S18 VanDerWaalsContact O-N 3.12Å | ||
| 19 | H | 46.8 | Very low | 50.3 | Low | 184 Ų | 184 | 136.7 Ų | 136.7 | 85% | 0.852 | 74% | 0.743 | S | S | * | * | trans | -15.5 | 124.4 | -171.8 | -140.5 | -67.6 | 0 | 0 | 0 | 117.9 | D21 | H19-D21 PolarHBondContact O-N 2.63Š| ||
| 20 | R | 46.8 | Very low | 49.8 | Very low | 226 Ų | 226 | 141.2 Ų | 141.2 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | trans | -58.4 | 135.2 | 168.2 | -78.2 | 176.4 | 165 | 167.7 | -8.1 | 110.4 | ||||
| 21 | D | 43.6 | Very low | 49.3 | Very low | 93 Ų | 93 | 140.5 Ų | 140.5 | 50% | 0.497 | 75% | 0.75 | S | S | . | * | trans | -84.5 | 127.2 | 166.9 | -179.5 | -7.8 | 0 | 0 | 0 | 109.1 | H19 F23 | H19-D21 PolarHBondContact O-N 2.63Å; D21-F23 PolarHBondContact O-N 3.11Å; D21-F23 VanDerWaalsContact O-N 3.16Å; D21-F23 PolarHBondContact OD1-N 3.25Å | ||
| 22 | P | 58.1 | Low | 48.9 | Very low | 118 Ų | 118 | 142.2 Ų | 142.2 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -13.7 | -178.5 | 24.1 | -35 | 0 | 0 | 0 | 115.7 | ||
| 23 | F | 53.5 | Low | 48.7 | Very low | 172 Ų | 172 | 146.9 Ų | 146.9 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -20.5 | -173.2 | -79.3 | -84.5 | 0 | 0 | 0 | 116.6 | D21 | D21-F23 PolarHBondContact O-N 3.11Å; D21-F23 VanDerWaalsContact O-N 3.16Å; D21-F23 PolarHBondContact OD1-N 3.25Å |
| 24 | F | 48.8 | Very low | 48.7 | Very low | 182 Ų | 182 | 147.6 Ų | 147.6 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -127.2 | 19.7 | -168.7 | -65.4 | -78.4 | 0 | 0 | 0 | 115 | ||
| 25 | G | 47.9 | Very low | 48.8 | Very low | 76 Ų | 76 | 150.9 Ų | 150.9 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -88.5 | 1.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 26 | G | 45.1 | Very low | 48.6 | Very low | 68 Ų | 68 | 157.6 Ų | 157.6 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | trans | -113.1 | -10.9 | -161.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | T28 | G26-T28 PolarHBondContact O-N 3.06Š| ||
| 27 | M | 45 | Very low | 48.3 | Very low | 185 Ų | 185 | 159.8 Ų | 159.8 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -91.6 | 9.9 | -159.5 | -143 | 78.5 | 178.7 | 0 | 0 | 116.4 | ||
| 28 | T | 47.4 | Very low | 47.8 | Very low | 138 Ų | 138 | 156 Ų | 156 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -141.1 | 42 | -173.7 | 69.8 | 0 | 0 | 0 | 0 | 113.1 | G26 | G26-T28 PolarHBondContact O-N 3.06Š|
| 29 | R | 51.3 | Low | 47.8 | Very low | 204 Ų | 204 | 158.6 Ų | 158.6 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | trans | -141.8 | 78.2 | 169 | -175 | 176.8 | 169.5 | 105.3 | 1.4 | 108.9 | ||||
| 30 | D | 45.8 | Very low | 47.6 | Very low | 162 Ų | 162 | 157.8 Ų | 157.8 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | trans | -83.8 | 160.1 | 152.8 | -66.1 | -41.8 | 0 | 0 | 0 | 108.6 | ||||
| 31 | E | 48.8 | Very low | 46.9 | Very low | 152 Ų | 152 | 150.6 Ų | 150.6 | 71% | 0.71 | 80% | 0.795 | S | S | * | * | trans | -108.3 | 178.2 | -161.7 | -63.7 | 171.1 | 135.6 | 0 | 0 | 111.7 | ||||
| 32 | D | 49.2 | Very low | 46.1 | Very low | 155 Ų | 155 | 150.4 Ų | 150.4 | 83% | 0.829 | 81% | 0.814 | S | S | * | * | trans | 73 | 126.9 | 174.8 | -44.1 | -27.2 | 0 | 0 | 0 | 115.7 | ||||
| 33 | D | 47.6 | Very low | 45.1 | Very low | 160 Ų | 160 | 148.9 Ų | 148.9 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | cis | -133.4 | 142.9 | 38.8 | -90.3 | -41.2 | 0 | 0 | 0 | 114 | ||||
| 34 | D | 52.7 | Low | 44.3 | Very low | 164 Ų | 164 | 152.6 Ų | 152.6 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | trans | -105.3 | 107.2 | 167.8 | -71.5 | -45.3 | 0 | 0 | 0 | 110.1 | ||||
| 35 | E | 46.5 | Very low | 43.3 | Very low | 196 Ų | 196 | 147.5 Ų | 147.5 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | trans | -131.2 | 118.6 | 159.2 | -73.7 | -166.6 | 159.9 | 0 | 0 | 109.8 | ||||
| 36 | E | 46 | Very low | 43 | Very low | 181 Ų | 181 | 156.1 Ų | 156.1 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | trans | -88.6 | 175.2 | 176 | -61.9 | -174 | 143.1 | 0 | 0 | 111.4 | ||||
| 37 | E | 43.6 | Very low | 42.2 | Very low | 175 Ų | 175 | 156.6 Ų | 156.6 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | 76 | 137 | 176 | -54.8 | 178.1 | 173.2 | 0 | 0 | 114.8 | ||||
| 38 | E | 42.9 | Very low | 41.8 | Very low | 168 Ų | 168 | 155.3 Ų | 155.3 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | cis | -156.5 | 177.2 | 5 | -127.2 | 174.5 | -171.6 | 0 | 0 | 111.9 | ||||
| 39 | E | 45.9 | Very low | 42.1 | Very low | 171 Ų | 171 | 153.1 Ų | 153.1 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | trans | -16.5 | 162.6 | 162.6 | -102.3 | -178.8 | 174.7 | 0 | 0 | 121.2 | ||||
| 40 | E | 42.5 | Very low | 41.1 | Very low | 168 Ų | 168 | 154.1 Ų | 154.1 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | cis | -163.9 | 151.6 | 7.9 | -165.2 | -166.7 | 162.4 | 0 | 0 | 110.3 | ||||
| 41 | G | 31.7 | Very low | 40.3 | Very low | 75 Ų | 75 | 156.4 Ų | 156.4 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | 91.2 | 125.5 | 131.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 42 | G | 27.7 | Very low | 39.5 | Very low | 88 Ų | 88 | 157.2 Ų | 157.2 | 91% | 0.907 | 82% | 0.823 | S | S | * | * | trans | 158.3 | 60.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 43 | S | 37 | Very low | 38.6 | Very low | 87 Ų | 87 | 155.3 Ų | 155.3 | 61% | 0.608 | 82% | 0.822 | S | S | * | * | trans | -93.6 | 164.8 | 179.7 | -172.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 44 | W | 36.7 | Very low | 38.2 | Very low | 249 Ų | 249 | 152.7 Ų | 152.7 | 94% | 0.943 | 81% | 0.814 | S | S | * | * | trans | 80 | 139.8 | 169.2 | -40.6 | 102.9 | 0 | 0 | 0 | 117.1 | ||||
| 45 | G | 28.4 | Very low | 37.2 | Very low | 76 Ų | 76 | 154 Ų | 154 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | cis | -168.2 | -169.4 | 6.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 46 | R | 40.2 | Very low | 36.6 | Very low | 257 Ų | 257 | 153.6 Ų | 153.6 | 97% | 0.97 | 81% | 0.812 | S | S | * | * | trans | -106.6 | 135.8 | -164.7 | 170.5 | -158.9 | -73.1 | -111.6 | 3.5 | 112.3 | ||||
| 47 | G | 28.3 | Very low | 37 | Very low | 77 Ų | 77 | 149.9 Ų | 149.9 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | -177.5 | 151.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 48 | N | 36.9 | Very low | 36.7 | Very low | 159 Ų | 159 | 147.4 Ų | 147.4 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | -166.5 | 169 | -171.6 | -147.3 | 8.9 | 0 | 0 | 0 | 107.8 | ||||
| 49 | P | 53.4 | Low | 36.9 | Very low | 91 Ų | 91 | 148.7 Ų | 148.7 | 59% | 0.591 | 81% | 0.809 | S | S | * | * | cis | -142 | -168.9 | 1.1 | 46 | -27.3 | 0 | 0 | 0 | 117.1 | ||||
| 50 | R | 31.3 | Very low | 36.5 | Very low | 226 Ų | 226 | 149.5 Ų | 149.5 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | 74.3 | 121.6 | 157.8 | -73.3 | 177.3 | 175.3 | 144.6 | -1.1 | 120.3 | ||||
| 51 | F | 28.9 | Very low | 36.7 | Very low | 209 Ų | 209 | 151.3 Ų | 151.3 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | trans | -148 | 163.4 | 131 | -130 | -93.9 | 0 | 0 | 0 | 111.1 | ||||
| 52 | H | 31.8 | Very low | 36.9 | Very low | 170 Ų | 170 | 150.7 Ų | 150.7 | 79% | 0.787 | 81% | 0.812 | S | S | * | * | trans | -84.3 | 147.3 | -164.4 | -75.2 | -110.3 | 0 | 0 | 0 | 115.5 | ||||
| 53 | S | 30.2 | Very low | 37.6 | Very low | 114 Ų | 114 | 153.8 Ų | 153.8 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -70.1 | 156.9 | 156 | -49.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 54 | P | 39.5 | Very low | 37.6 | Very low | 106 Ų | 106 | 152.8 Ų | 152.8 | 69% | 0.688 | 80% | 0.804 | S | S | * | * | -142.8 | 160.5 | 106.5 | 38.3 | -25.6 | 0 | 0 | 0 | 115.5 | |||||
| 55 | Q | 30.9 | Very low | 37.9 | Very low | 191 Ų | 191 | 147.1 Ų | 147.1 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | trans | 83.4 | 117.5 | 162.5 | -64.2 | 158.1 | 17.9 | 0 | 0 | 119.3 | ||||
| 56 | H | 34.7 | Very low | 38.4 | Very low | 187 Ų | 187 | 146.5 Ų | 146.5 | 87% | 0.866 | 77% | 0.77 | S | S | * | * | trans | -85 | 175.5 | 164.8 | -91.7 | -96.2 | 0 | 0 | 0 | 111.1 | ||||
| 57 | P | 53.6 | Low | 38.4 | Very low | 104 Ų | 104 | 142.9 Ų | 142.9 | 68% | 0.675 | 76% | 0.762 | S | S | * | * | cis | -126.3 | -168.8 | -27.3 | 37.5 | -18.7 | 0 | 0 | 0 | 110.9 | ||||
| 58 | P | 38.9 | Very low | 38.9 | Very low | 122 Ų | 122 | 142.7 Ų | 142.7 | 79% | 0.792 | 75% | 0.748 | S | S | * | * | -132.9 | 169.2 | 83.2 | 37.5 | -25.1 | 0 | 0 | 0 | 114 | E60 | P58-E60 PolarHBondContact O-N 3.49Š| |||
| 59 | E | 46.8 | Very low | 39.3 | Very low | 196 Ų | 196 | 142.4 Ų | 142.4 | 92% | 0.916 | 76% | 0.755 | S | S | * | * | trans | -50.4 | 109.3 | -177.1 | -67.3 | 151.7 | -173.4 | 0 | 0 | 114 | ||||
| 60 | E | 38 | Very low | 39 | Very low | 188 Ų | 188 | 141.2 Ų | 141.2 | 88% | 0.879 | 76% | 0.759 | S | S | * | * | trans | -100.5 | 121.4 | 164.9 | -166.6 | 169 | -145.3 | 0 | 0 | 108.7 | P58 G62 | P58-E60 PolarHBondContact O-N 3.49Å; E60-G62 PolarHBondContact O-N 3.37Å | ||
| 61 | F | 44.7 | Very low | 39.9 | Very low | 206 Ų | 206 | 134.7 Ų | 134.7 | 90% | 0.904 | 76% | 0.763 | S | S | * | * | trans | -76.7 | 59.9 | -173 | -136.6 | -92.6 | 0 | 0 | 0 | 111.3 | ||||
| 62 | G | 37 | Very low | 40.6 | Very low | 62 Ų | 62 | 127.2 Ų | 127.2 | 64% | 0.639 | 74% | 0.744 | S | S | * | * | trans | -86.2 | 115.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E60 G64 | E60-G62 PolarHBondContact O-N 3.37Å; G62-G64 PolarHBondContact O-N 3.3Å | ||
| 63 | F | 42.6 | Very low | 41.3 | Very low | 152 Ų | 152 | 125.3 Ų | 125.3 | 67% | 0.667 | 74% | 0.738 | S | S | * | * | trans | -76.4 | 67.6 | 174.5 | -144.2 | -80.8 | 0 | 0 | 0 | 111.3 | F65 F79 | F63-F65 HydrophobicContact CD1-CD2 4.37Å; F63-F65 AromaticContact CD1-CE2 3.76Å; F63-F65 HydrophobicContact CD1-CE2 3.76Å; F63-F65 HydrophobicContact CD1-CZ 4.28Å; F63-F65 AromaticContact CE1-CE2 3.81Å; F63-F65 HydrophobicContact CE1-CE2 3.81Å; F63-F65 AromaticContact CE1-CZ 3.86Å; F63-F65 HydrophobicContact CE1-CZ 3.86Å; F63-F65 PolarHBondContact O-N 3.21Å; F63-F79 HydrophobicContact CD2-CZ 4.11Å; F63-F79 HydrophobicContact CE2-CE1 4.24Å; F63-F79 HydrophobicContact CE2-CE2 4.13Å; F63-F79 AromaticContact CE2-CZ 3.54Å; F63-F79 HydrophobicContact CE2-CZ 3.54Å; F63-F79 HydrophobicContact CZ-CZ 4.34Å | ||
| 64 | G | 37 | Very low | 42.2 | Very low | 67 Ų | 67 | 125.5 Ų | 125.5 | 69% | 0.691 | 72% | 0.722 | S | S | * | * | trans | -88.2 | 97.2 | -170 | 0 | 0 | 0 | 0 | 0 | 115 | G62 S66 | G62-G64 PolarHBondContact O-N 3.3Å; G64-S66 PolarHBondContact O-N 3.06Å; G64-S66 VanDerWaalsContact O-N 3.1Å | ||
| 65 | F | 41.8 | Very low | 42.8 | Very low | 130 Ų | 130 | 127.7 Ų | 127.7 | 57% | 0.57 | 72% | 0.721 | S | S | * | * | trans | -68.7 | 102 | 165.3 | -71.1 | -83.4 | 0 | 0 | 0 | 110.7 | F63 F67 | F63-F65 HydrophobicContact CD1-CD2 4.37Å; F63-F65 AromaticContact CD1-CE2 3.76Å; F63-F65 HydrophobicContact CD1-CE2 3.76Å; F63-F65 HydrophobicContact CD1-CZ 4.28Å; F63-F65 AromaticContact CE1-CE2 3.81Å; F63-F65 HydrophobicContact CE1-CE2 3.81Å; F63-F65 AromaticContact CE1-CZ 3.86Å; F63-F65 HydrophobicContact CE1-CZ 3.86Å; F63-F65 PolarHBondContact O-N 3.21Å; F65-F67 HydrophobicContact CB-CE2 3.98Å; F65-F67 HydrophobicContact CB-CZ 4.4Å | ||
| 66 | S | 40.3 | Very low | 43.6 | Very low | 62 Ų | 62 | 125.8 Ų | 125.8 | 43% | 0.434 | 71% | 0.711 | S | S | . | * | trans | -96.1 | 101.5 | 174.9 | 53.1 | 0 | 0 | 0 | 0 | 111.6 | G64 S68 R74 | G64-S66 PolarHBondContact O-N 3.06Å; G64-S66 VanDerWaalsContact O-N 3.1Å; S66-S68 PolarHBondContact O-N 3.36Å; S66-R74 PolarHBondContact OG-NH1 2.6Å | ||
| 67 | F | 40.5 | Very low | 44.4 | Very low | 182 Ų | 182 | 123.8 Ų | 123.8 | 80% | 0.798 | 71% | 0.707 | S | S | * | * | trans | -78 | 102.8 | 173.9 | -62.7 | -84.6 | 0 | 0 | 0 | 110.5 | F65 | F65-F67 HydrophobicContact CB-CE2 3.98Å; F65-F67 HydrophobicContact CB-CZ 4.4Å | ||
| 68 | S | 37.5 | Very low | 44.4 | Very low | 73 Ų | 73 | 125.5 Ų | 125.5 | 51% | 0.51 | 71% | 0.711 | S | S | . | * | trans | -79.8 | 149.8 | 165.7 | -69.6 | 0 | 0 | 0 | 0 | 110.8 | S66 G70 | S66-S68 PolarHBondContact O-N 3.36Å; S68-G70 PolarHBondContact O-N 3.46Å | ||
| 69 | P | 45.9 | Very low | 45.4 | Very low | 152 Ų | 152 | 126.8 Ų | 126.8 | 99% | 0.987 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -68.9 | 23.8 | -177.6 | -19.7 | 33.9 | 0 | 0 | 0 | 116.2 | ||
| 70 | G | 47.8 | Very low | 46 | Very low | 66 Ų | 66 | 119.2 Ų | 119.2 | 68% | 0.68 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -141.1 | 53.8 | -172 | 0 | 0 | 0 | 0 | 0 | 112.6 | S68 G72 | S68-G70 PolarHBondContact O-N 3.46Å; G70-G72 PolarHBondContact O-N 3.21Å |
| 71 | G | 50 | Low | 47.2 | Very low | 90 Ų | 90 | 116.9 Ų | 116.9 | 93% | 0.928 | 67% | 0.666 | S | S | * | * | S | Bend | trans | 50.7 | 40.5 | 153 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||
| 72 | G | 43.8 | Very low | 48.1 | Very low | 51 Ų | 51 | 112.7 Ų | 112.7 | 53% | 0.526 | 65% | 0.653 | S | S | . | * | trans | -145.8 | 119.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G70 R74 | G70-G72 PolarHBondContact O-N 3.21Å; G72-R74 PolarHBondContact O-N 3.02Å; G72-R74 VanDerWaalsContact O-N 3.14Å | ||
| 73 | I | 45.8 | Very low | 49.5 | Very low | 130 Ų | 130 | 113.5 Ų | 113.5 | 67% | 0.667 | 64% | 0.643 | S | S | * | * | trans | -79.5 | 92.8 | 170.8 | -36.2 | 172.4 | 0 | 0 | 0 | 107.4 | F75 | I73-F75 HydrophobicContact CB-CE2 4.18Å; I73-F75 HydrophobicContact CG2-CD2 4.42Å; I73-F75 HydrophobicContact CG2-CE1 4.42Å; I73-F75 HydrophobicContact CG2-CE2 3.89Å; I73-F75 HydrophobicContact CG2-CZ 3.89Å; I73-F75 PolarHBondContact O-N 3.3Å | ||
| 74 | R | 49.3 | Very low | 50.9 | Low | 119 Ų | 119 | 110.5 Ų | 110.5 | 45% | 0.449 | 63% | 0.633 | S | S | . | * | trans | -83.6 | 94.2 | 172 | 40.3 | 178.8 | -86 | -86.6 | 3.5 | 109.5 | S66 G72 H76 | S66-R74 PolarHBondContact OG-NH1 2.6Å; G72-R74 PolarHBondContact O-N 3.02Å; G72-R74 VanDerWaalsContact O-N 3.14Å; R74-H76 PolarHBondContact NH2-NE2 3.49Å | ||
| 75 | F | 51 | Low | 52.6 | Low | 152 Ų | 152 | 110.1 Ų | 110.1 | 67% | 0.667 | 62% | 0.617 | S | S | * | * | trans | -60 | 136.4 | 157.3 | -58.7 | -82.7 | 0 | 0 | 0 | 107.6 | I73 | I73-F75 HydrophobicContact CB-CE2 4.18Å; I73-F75 HydrophobicContact CG2-CD2 4.42Å; I73-F75 HydrophobicContact CG2-CE1 4.42Å; I73-F75 HydrophobicContact CG2-CE2 3.89Å; I73-F75 HydrophobicContact CG2-CZ 3.89Å; I73-F75 PolarHBondContact O-N 3.3Å | ||
| 76 | H | 48.9 | Very low | 54.1 | Low | 150 Ų | 150 | 111 Ų | 111 | 69% | 0.694 | 62% | 0.616 | S | S | * | * | trans | -85.7 | 135.3 | 166.3 | -86.7 | -80.6 | 0 | 0 | 0 | 108.2 | R74 N78 | R74-H76 PolarHBondContact NH2-NE2 3.49Å; H76-N78 PolarHBondContact O-N 2.8Å | ||
| 77 | D | 51.1 | Low | 55.4 | Low | 145 Ų | 145 | 112.1 Ų | 112.1 | 78% | 0.775 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -74.1 | 58.2 | -173.5 | -59.2 | -40.8 | 0 | 0 | 0 | 112.6 | ||
| 78 | N | 54.5 | Low | 56.9 | Low | 140 Ų | 140 | 109 Ų | 109 | 75% | 0.749 | 60% | 0.604 | S | S | * | * | trans | -110.4 | -6.2 | -179.3 | -79.4 | 79.5 | 0 | 0 | 0 | 113.3 | H76 | H76-N78 PolarHBondContact O-N 2.8Š| ||
| 79 | F | 58 | Low | 58.4 | Low | 150 Ų | 150 | 110.2 Ų | 110.2 | 66% | 0.658 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -102.7 | 0.7 | -175 | -77.3 | -80.5 | 0 | 0 | 0 | 114.9 | F63 F81 | F63-F79 HydrophobicContact CD2-CZ 4.11Å; F63-F79 HydrophobicContact CE2-CE1 4.24Å; F63-F79 HydrophobicContact CE2-CE2 4.13Å; F63-F79 AromaticContact CE2-CZ 3.54Å; F63-F79 HydrophobicContact CE2-CZ 3.54Å; F63-F79 HydrophobicContact CZ-CZ 4.34Å; F79-F81 PolarHBondContact O-N 3.04Å; F79-F81 VanDerWaalsContact O-N 3.13Å |
| 80 | G | 59.8 | Low | 59.6 | Low | 37 Ų | 37 | 106.1 Ų | 106.1 | 38% | 0.381 | 58% | 0.58 | S | S | . | * | trans | 58.8 | 25.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114 | D82 D83 L84 | G80-D82 PolarHBondContact O-N 3.11Å; G80-D83 WeakPolarHBondContact O-CB 3.3Å; G80-D83 PolarHBondContact O-N 3.1Å; G80-L84 PolarHBondContact O-N 3.35Å | ||
| 81 | F | 64 | Low | 60.7 | Low | 139 Ų | 139 | 107.3 Ų | 107.3 | 61% | 0.61 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.5 | -32.3 | -175.1 | -171.9 | -101.5 | 0 | 0 | 0 | 112 | F79 L84 V85 | F79-F81 PolarHBondContact O-N 3.04Å; F79-F81 VanDerWaalsContact O-N 3.13Å; F81-L84 HydrophobicContact CD2-CD2 4.27Å; F81-L84 HydrophobicContact CE2-CD2 4.41Å; F81-L84 PolarHBondContact O-N 3.15Å; F81-V85 HydrophobicContact CD1-CG2 4.02Å; F81-V85 HydrophobicContact CE1-CG2 3.65Å; F81-V85 HydrophobicContact CZ-CG2 3.94Å; F81-V85 WeakPolarHBondContact O-CG2 3.36Å; F81-V85 PolarHBondContact O-N 2.99Å |
| 82 | D | 62.9 | Low | 61.4 | Low | 118 Ų | 118 | 109.4 Ų | 109.4 | 63% | 0.631 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.1 | -35.9 | 172.8 | -65.2 | -34.3 | 0 | 0 | 0 | 112.8 | G80 R86 | G80-D82 PolarHBondContact O-N 3.11Å; D82-R86 VanDerWaalsContact O-CB 3.29Å; D82-R86 WeakPolarHBondContact O-CB 3.28Å; D82-R86 PolarHBondContact O-N 3.1Å |
| 83 | D | 65.8 | Low | 62.5 | Low | 79 Ų | 79 | 111.2 Ų | 111.2 | 42% | 0.422 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68.1 | -43.3 | 173.3 | -71.9 | -33.5 | 0 | 0 | 0 | 110.5 | G80 V85 R86 D87 | G80-D83 WeakPolarHBondContact O-CB 3.3Å; G80-D83 PolarHBondContact O-N 3.1Å; D83-V85 PolarHBondContact O-N 3.23Å; D83-R86 PolarHBondContact O-N 2.96Å; D83-R86 IonicContact OD1-CZ 3.88Å; D83-R86 IonicContact OD1-NH1 2.98Å; D83-R86 PolarHBondContact OD1-NH1 3.5Å; D83-R86 IonicContact OD1-NH2 2.74Å; D83-R86 PolarHBondContact OD1-NH2 3.14Å; D83-D87 WeakPolarHBondContact O-CB 3.32Å; D83-D87 PolarHBondContact O-N 3.22Å |
| 84 | L | 73.4 | Confident | 63.2 | Low | 88 Ų | 88 | 110.4 Ų | 110.4 | 46% | 0.461 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59.1 | -45.4 | 175.2 | 179.7 | 65.2 | 0 | 0 | 0 | 112.1 | G80 F81 R86 D87 F88 | G80-L84 PolarHBondContact O-N 3.35Å; F81-L84 HydrophobicContact CD2-CD2 4.27Å; F81-L84 HydrophobicContact CE2-CD2 4.41Å; F81-L84 PolarHBondContact O-N 3.15Å; L84-R86 VanDerWaalsContact C-N 3.33Å; L84-D87 PolarHBondContact O-N 3.21Å; L84-F88 HydrophobicContact CD1-CD2 4.01Å; L84-F88 HydrophobicContact CD1-CE2 3.9Å; L84-F88 HydrophobicContact CG-CD2 4.17Å; L84-F88 HydrophobicContact CG-CE2 4.31Å; L84-F88 WeakPolarHBondContact O-CD2 3.22Å; L84-F88 PolarHBondContact O-N 3.2Å |
| 85 | V | 72.4 | Confident | 63.3 | Low | 59 Ų | 59 | 109 Ų | 109 | 36% | 0.358 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.6 | -34.7 | 177.4 | 171.7 | 0 | 0 | 0 | 0 | 111 | F81 D83 N89 | F81-V85 HydrophobicContact CD1-CG2 4.02Å; F81-V85 HydrophobicContact CE1-CG2 3.65Å; F81-V85 HydrophobicContact CZ-CG2 3.94Å; F81-V85 WeakPolarHBondContact O-CG2 3.36Å; F81-V85 PolarHBondContact O-N 2.99Å; D83-V85 PolarHBondContact O-N 3.23Å; V85-N89 PolarHBondContact O-N 2.87Å; V85-N89 VanDerWaalsContact O-N 3.12Å; V85-N89 PolarHBondContact O-ND2 3.18Å |
| 86 | R | 74.3 | Confident | 63.5 | Low | 148 Ų | 148 | 104.1 Ų | 104.1 | 56% | 0.558 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67.4 | -42.8 | 174.1 | -168.6 | 179 | 67.2 | -120.6 | -9.3 | 111.8 | D82 D83 L84 N89 S90 | D82-R86 VanDerWaalsContact O-CB 3.29Å; D82-R86 WeakPolarHBondContact O-CB 3.28Å; D82-R86 PolarHBondContact O-N 3.1Å; D83-R86 PolarHBondContact O-N 2.96Å; D83-R86 IonicContact OD1-CZ 3.88Å; D83-R86 IonicContact OD1-NH1 2.98Å; D83-R86 PolarHBondContact OD1-NH1 3.5Å; D83-R86 IonicContact OD1-NH2 2.74Å; D83-R86 PolarHBondContact OD1-NH2 3.14Å; L84-R86 VanDerWaalsContact C-N 3.33Å; R86-N89 PolarHBondContact O-N 2.92Å; R86-S90 PolarHBondContact O-N 3.44Å |
| 87 | D | 67.4 | Low | 63.8 | Low | 87 Ų | 87 | 100.7 Ų | 100.7 | 47% | 0.465 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65 | -42.1 | 178.1 | -75.4 | 2.8 | 0 | 0 | 0 | 111.5 | D83 L84 N89 S90 I91 | D83-D87 WeakPolarHBondContact O-CB 3.32Å; D83-D87 PolarHBondContact O-N 3.22Å; L84-D87 PolarHBondContact O-N 3.21Å; D87-N89 VanDerWaalsContact C-N 3.35Å; D87-N89 PolarHBondContact O-N 2.96Å; D87-S90 WeakPolarHBondContact O-CB 3.42Å; D87-S90 PolarHBondContact O-N 3.06Å; D87-I91 WeakPolarHBondContact O-CD1 3.26Å; D87-I91 VanDerWaalsContact O-CG1 3.3Å; D87-I91 WeakPolarHBondContact O-CG1 3.44Å; D87-I91 PolarHBondContact O-N 3.47Å |
| 88 | F | 71.9 | Confident | 63.7 | Low | 115 Ų | 115 | 104.8 Ų | 104.8 | 50% | 0.504 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -58.2 | -45.2 | 171.6 | -96.6 | -73.5 | 0 | 0 | 0 | 112.1 | L84 S90 I91 F92 | L84-F88 HydrophobicContact CD1-CD2 4.01Å; L84-F88 HydrophobicContact CD1-CE2 3.9Å; L84-F88 HydrophobicContact CG-CD2 4.17Å; L84-F88 HydrophobicContact CG-CE2 4.31Å; L84-F88 WeakPolarHBondContact O-CD2 3.22Å; L84-F88 PolarHBondContact O-N 3.2Å; F88-S90 VanDerWaalsContact C-N 3.33Å; F88-S90 PolarHBondContact O-N 3.03Å; F88-I91 PolarHBondContact O-N 3.3Å; F88-F92 HydrophobicContact CD1-CE2 4.14Å; F88-F92 VanDerWaalsContact O-CD2 3.22Å; F88-F92 WeakPolarHBondContact O-CD2 3.3Å; F88-F92 PolarHBondContact O-N 3.16Å |
| 89 | N | 69.1 | Low | 63.5 | Low | 100 Ų | 100 | 103.5 Ų | 103.5 | 54% | 0.535 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64 | -37.4 | 176.1 | -78 | -65.3 | 0 | 0 | 0 | 112.2 | V85 R86 D87 F92 S93 | V85-N89 PolarHBondContact O-N 2.87Å; V85-N89 VanDerWaalsContact O-N 3.12Å; V85-N89 PolarHBondContact O-ND2 3.18Å; R86-N89 PolarHBondContact O-N 2.92Å; D87-N89 VanDerWaalsContact C-N 3.35Å; D87-N89 PolarHBondContact O-N 2.96Å; N89-F92 PolarHBondContact O-N 3.49Å; N89-S93 PolarHBondContact O-N 3.18Å; N89-S93 PolarHBondContact O-OG 3.38Å; N89-S93 VanDerWaalsContact O-OG 3.09Å |
| 90 | S | 70.9 | Confident | 62.7 | Low | 66 Ų | 66 | 102.3 Ų | 102.3 | 46% | 0.462 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 173.2 | -163.7 | 0 | 0 | 0 | 0 | 111.8 | R86 D87 F88 F92 S93 D94 | R86-S90 PolarHBondContact O-N 3.44Å; D87-S90 WeakPolarHBondContact O-CB 3.42Å; D87-S90 PolarHBondContact O-N 3.06Å; F88-S90 VanDerWaalsContact C-N 3.33Å; F88-S90 PolarHBondContact O-N 3.03Å; S90-F92 VanDerWaalsContact C-N 3.35Å; S90-F92 PolarHBondContact O-N 3.09Å; S90-S93 WeakPolarHBondContact O-CB 3.48Å; S90-S93 PolarHBondContact O-N 2.93Å; S90-D94 PolarHBondContact O-N 3.29Å |
| 91 | I | 69.8 | Low | 61.7 | Low | 90 Ų | 90 | 106.7 Ų | 106.7 | 46% | 0.462 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.4 | -41.8 | 178.6 | -70.5 | 161.7 | 0 | 0 | 0 | 111.2 | D87 F88 D94 M95 | D87-I91 WeakPolarHBondContact O-CD1 3.26Å; D87-I91 VanDerWaalsContact O-CG1 3.3Å; D87-I91 WeakPolarHBondContact O-CG1 3.44Å; D87-I91 PolarHBondContact O-N 3.47Å; F88-I91 PolarHBondContact O-N 3.3Å; I91-D94 PolarHBondContact O-N 3.05Å; I91-M95 HydrophobicContact CG2-CE 3.75Å; I91-M95 WeakPolarHBondContact O-CG 3.45Å; I91-M95 PolarHBondContact O-N 2.63Å |
| 92 | F | 64.7 | Low | 60.9 | Low | 135 Ų | 135 | 105.4 Ų | 105.4 | 59% | 0.592 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -70.6 | -32.4 | 175.1 | -79.4 | -70.2 | 0 | 0 | 0 | 113.4 | F88 N89 S90 M95 G96 | F88-F92 HydrophobicContact CD1-CE2 4.14Å; F88-F92 VanDerWaalsContact O-CD2 3.22Å; F88-F92 WeakPolarHBondContact O-CD2 3.3Å; F88-F92 PolarHBondContact O-N 3.16Å; N89-F92 PolarHBondContact O-N 3.49Å; S90-F92 VanDerWaalsContact C-N 3.35Å; S90-F92 PolarHBondContact O-N 3.09Å; F92-M95 HydrophobicContact CD1-CE 3.5Å; F92-M95 VanDerWaalsContact CD1-CE 3.5Å; F92-M95 HydrophobicContact CE1-CE 3.66Å; F92-M95 HydrophobicContact CG-CE 4.08Å; F92-M95 HydrophobicContact CZ-CE 4.37Å; F92-G96 PolarHBondContact O-N 2.88Å; F92-G96 VanDerWaalsContact O-N 3.16Å |
| 93 | S | 66.7 | Low | 59.9 | Low | 89 Ų | 89 | 106.5 Ų | 106.5 | 62% | 0.622 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.1 | -44.1 | 171.8 | -66 | 0 | 0 | 0 | 0 | 112.1 | N89 S90 G96 | N89-S93 PolarHBondContact O-N 3.18Å; N89-S93 PolarHBondContact O-OG 3.38Å; N89-S93 VanDerWaalsContact O-OG 3.09Å; S90-S93 WeakPolarHBondContact O-CB 3.48Å; S90-S93 PolarHBondContact O-N 2.93Å; S93-G96 PolarHBondContact O-N 2.88Å |
| 94 | D | 61.9 | Low | 58.9 | Low | 113 Ų | 113 | 107.9 Ų | 107.9 | 60% | 0.604 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -66.6 | -40 | 177.3 | -80.5 | -16.3 | 0 | 0 | 0 | 112.4 | S90 I91 G96 A97 | S90-D94 PolarHBondContact O-N 3.29Å; I91-D94 PolarHBondContact O-N 3.05Å; D94-G96 PolarHBondContact O-N 3.48Å; D94-A97 PolarHBondContact O-N 2.79Å |
| 95 | M | 51.4 | Low | 57.2 | Low | 90 Ų | 90 | 108.8 Ų | 108.8 | 44% | 0.443 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.9 | -23.1 | 174.5 | -73.9 | -173 | -62.4 | 0 | 0 | 113.4 | I91 F92 A97 W98 | I91-M95 HydrophobicContact CG2-CE 3.75Å; I91-M95 WeakPolarHBondContact O-CG 3.45Å; I91-M95 PolarHBondContact O-N 2.63Å; F92-M95 HydrophobicContact CD1-CE 3.5Å; F92-M95 VanDerWaalsContact CD1-CE 3.5Å; F92-M95 HydrophobicContact CE1-CE 3.66Å; F92-M95 HydrophobicContact CG-CE 4.08Å; F92-M95 HydrophobicContact CZ-CE 4.37Å; M95-A97 PolarHBondContact O-N 2.9Å; M95-W98 PolarHBondContact O-N 3.46Å; M95-W98 VanDerWaalsContact O-N 3.14Å |
| 96 | G | 54.5 | Low | 55.6 | Low | 49 Ų | 49 | 110.6 Ų | 110.6 | 51% | 0.505 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.2 | -21.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | F92 S93 D94 | F92-G96 PolarHBondContact O-N 2.88Å; F92-G96 VanDerWaalsContact O-N 3.16Å; S93-G96 PolarHBondContact O-N 2.88Å; D94-G96 PolarHBondContact O-N 3.48Å |
| 97 | A | 55 | Low | 53.8 | Low | 77 Ų | 77 | 109.5 Ų | 109.5 | 64% | 0.636 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -12.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D94 M95 | D94-A97 PolarHBondContact O-N 2.79Å; M95-A97 PolarHBondContact O-N 2.9Å |
| 98 | W | 48.2 | Very low | 52.3 | Low | 232 Ų | 232 | 111.8 Ų | 111.8 | 88% | 0.879 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | -8.8 | -172.4 | -72.9 | 65.1 | 0 | 0 | 0 | 114.2 | M95 | M95-W98 PolarHBondContact O-N 3.46Å; M95-W98 VanDerWaalsContact O-N 3.14Å |
| 99 | T | 50.3 | Low | 50.5 | Low | 112 Ų | 112 | 110.9 Ų | 110.9 | 69% | 0.687 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -99 | 3.5 | -175.8 | 55.6 | 0 | 0 | 0 | 0 | 114.7 | ||
| 100 | L | 41.9 | Very low | 48.8 | Very low | 125 Ų | 125 | 114 Ų | 114 | 65% | 0.654 | 66% | 0.664 | S | S | * | * | trans | -137.7 | 122.3 | 173.9 | -71.1 | 173.8 | 0 | 0 | 0 | 111.5 | S102 | L100-S102 VanDerWaalsContact C-N 3.31Å; L100-S102 PolarHBondContact O-N 2.69Å | ||
| 101 | P | 39.5 | Very low | 47.1 | Very low | 130 Ų | 130 | 119.4 Ų | 119.4 | 84% | 0.844 | 69% | 0.686 | S | S | * | * | trans | -74 | 87.2 | 164.6 | 30.2 | -30.9 | 0 | 0 | 0 | 109.2 | H103 | P101-H103 PolarHBondContact O-N 3.23Å; P101-H103 VanDerWaalsContact O-N 3.1Å | ||
| 102 | S | 47.6 | Very low | 45.7 | Very low | 112 Ų | 112 | 121 Ų | 121 | 78% | 0.783 | 71% | 0.706 | S | S | * | * | trans | -81.1 | 27.8 | -173.4 | 53.5 | 0 | 0 | 0 | 0 | 115 | L100 | L100-S102 VanDerWaalsContact C-N 3.31Å; L100-S102 PolarHBondContact O-N 2.69Å | ||
| 103 | H | 41.8 | Very low | 44.4 | Very low | 141 Ų | 141 | 119 Ų | 119 | 65% | 0.653 | 71% | 0.714 | S | S | * | * | trans | -159.1 | 114.3 | 169.1 | -157.7 | 65.9 | 0 | 0 | 0 | 113.9 | P101 | P101-H103 PolarHBondContact O-N 3.23Å; P101-H103 VanDerWaalsContact O-N 3.1Å | ||
| 104 | P | 43.5 | Very low | 42.8 | Very low | 107 Ų | 107 | 123.7 Ų | 123.7 | 70% | 0.695 | 73% | 0.726 | S | S | * | * | trans | -76.2 | 134.1 | 150.8 | 31.6 | -29.5 | 0 | 0 | 0 | 108.8 | A106 | P104-A106 PolarHBondContact O-N 2.92Š| ||
| 105 | P | 38.6 | Very low | 41.9 | Very low | 108 Ų | 108 | 126.2 Ų | 126.2 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | trans | -66.2 | 106.9 | 179.7 | 26.6 | -33.6 | 0 | 0 | 0 | 110.7 | N107 | P105-N107 PolarHBondContact O-N 3.34Å; P105-N107 VanDerWaalsContact O-N 3.15Å | ||
| 106 | A | 37.8 | Very low | 41.3 | Very low | 96 Ų | 96 | 127.7 Ų | 127.7 | 79% | 0.793 | 76% | 0.755 | S | S | * | * | trans | -83.3 | 83 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | P104 | P104-A106 PolarHBondContact O-N 2.92Š| ||
| 107 | N | 37.6 | Very low | 40.1 | Very low | 126 Ų | 126 | 128.4 Ų | 128.4 | 67% | 0.674 | 76% | 0.762 | S | S | * | * | trans | -123.8 | 116.7 | 157.8 | 61.9 | -23.9 | 0 | 0 | 0 | 111.5 | P105 | P105-N107 PolarHBondContact O-N 3.34Å; P105-N107 VanDerWaalsContact O-N 3.15Å | ||
| 108 | T | 35.5 | Very low | 40.4 | Very low | 134 Ų | 134 | 130 Ų | 130 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 70.2 | 133.3 | -174.1 | 77.6 | 0 | 0 | 0 | 0 | 114.9 | ||
| 109 | C | 34.2 | Very low | 39.7 | Very low | 97 Ų | 97 | 127.6 Ų | 127.6 | 66% | 0.655 | 77% | 0.765 | S | S | * | * | cis | -159.6 | 136.3 | -12.7 | -116.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 110 | H | 33.4 | Very low | 39 | Very low | 166 Ų | 166 | 127.4 Ų | 127.4 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | 48.8 | 108.8 | 160.9 | -52 | -72.3 | 0 | 0 | 0 | 119.4 | ||||
| 111 | L | 34.7 | Very low | 39.1 | Very low | 178 Ų | 178 | 130.5 Ų | 130.5 | 93% | 0.932 | 78% | 0.779 | S | S | * | * | -175.4 | 135.2 | 97.2 | -93.4 | 164.2 | 0 | 0 | 0 | 110.5 | |||||
| 112 | S | 40.7 | Very low | 38.8 | Very low | 125 Ų | 125 | 130.3 Ų | 130.3 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | -89.8 | 131.7 | 174.6 | -53.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 113 | A | 37.1 | Very low | 38.7 | Very low | 92 Ų | 92 | 131.5 Ų | 131.5 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | trans | -170.1 | 100.4 | 151.6 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 114 | E | 33.1 | Very low | 38.8 | Very low | 187 Ų | 187 | 128.3 Ų | 128.3 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | 57.6 | 105.8 | 75.3 | -160.5 | 166.5 | -174.2 | 0 | 0 | 111.7 | P116 | E114-P116 WeakPolarHBondContact O-CD 3.22Š| |||
| 115 | L | 43.7 | Very low | 38.5 | Very low | 167 Ų | 167 | 131 Ų | 131 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -70.8 | 135.2 | 179.1 | -113.6 | 156 | 0 | 0 | 0 | 110.4 | ||||
| 116 | P | 39.5 | Very low | 38.9 | Very low | 120 Ų | 120 | 137.9 Ų | 137.9 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | trans | -145.1 | 130 | 131.5 | 35.1 | -20 | 0 | 0 | 0 | 115 | E114 | E114-P116 WeakPolarHBondContact O-CD 3.22Š| ||
| 117 | G | 29.1 | Very low | 39.2 | Very low | 65 Ų | 65 | 139.9 Ų | 139.9 | 67% | 0.67 | 80% | 0.798 | S | S | * | * | trans | 72.8 | 169.8 | 142 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 118 | P | 61.2 | Low | 40.2 | Very low | 111 Ų | 111 | 142.2 Ų | 142.2 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | trans | -128.8 | 94.5 | -162.1 | 36.2 | -15.5 | 0 | 0 | 0 | 113.3 | ||||
| 119 | E | 33.2 | Very low | 41.1 | Very low | 180 Ų | 180 | 145.5 Ų | 145.5 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | trans | -144.9 | 154.3 | -179.2 | -49.5 | -69.5 | 162.4 | 0 | 0 | 113.4 | ||||
| 120 | S | 35.9 | Very low | 42.3 | Very low | 108 Ų | 108 | 142.8 Ų | 142.8 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | 73.6 | 108.7 | 159.5 | -156.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 121 | E | 42.7 | Very low | 43.5 | Very low | 190 Ų | 190 | 140.6 Ų | 140.6 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | trans | -59.6 | 146.4 | 151 | -56.8 | 174.5 | 123.2 | 0 | 0 | 111.2 | ||||
| 122 | T | 33.7 | Very low | 45.3 | Very low | 126 Ų | 126 | 135.7 Ų | 135.7 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | trans | -142.2 | 135.1 | 150.1 | 50.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 123 | P | 46.7 | Very low | 46.5 | Very low | 138 Ų | 138 | 136.6 Ų | 136.6 | 90% | 0.896 | 75% | 0.754 | S | S | * | * | trans | -95.4 | 112.1 | -171.3 | 34.3 | -31 | 0 | 0 | 0 | 111.7 | ||||
| 124 | G | 42.5 | Very low | 48.3 | Very low | 73 Ų | 73 | 142.2 Ų | 142.2 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | trans | 168.9 | 42.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 125 | E | 37.5 | Very low | 50 | Low | 164 Ų | 164 | 135.2 Ų | 135.2 | 77% | 0.766 | 72% | 0.723 | S | S | * | * | trans | -158.9 | 111.3 | 146.9 | -118.6 | 174.1 | 173.2 | 0 | 0 | 111.4 | L127 | E125-L127 HydrophobicContact CB-CD1 4.46Å; E125-L127 HydrophobicContact CB-CG 4.49Å; E125-L127 PolarHBondContact O-N 3.02Å | ||
| 126 | R | 46.5 | Very low | 51.2 | Low | 253 Ų | 253 | 131.9 Ų | 131.9 | 96% | 0.955 | 71% | 0.714 | S | S | * | * | trans | -78.7 | 71.5 | 169.7 | -72.8 | -171.9 | 178 | 97.6 | -1.1 | 109.2 | R128 | R126-R128 PolarHBondContact O-N 3.44Š| ||
| 127 | L | 44.7 | Very low | 53 | Low | 138 Ų | 138 | 133.6 Ų | 133.6 | 72% | 0.723 | 71% | 0.714 | S | S | * | * | trans | -70.1 | 71.2 | 177.2 | -104.1 | 164.7 | 0 | 0 | 0 | 111.3 | E125 E129 | E125-L127 HydrophobicContact CB-CD1 4.46Å; E125-L127 HydrophobicContact CB-CG 4.49Å; E125-L127 PolarHBondContact O-N 3.02Å; L127-E129 VanDerWaalsContact C-N 3.27Å; L127-E129 PolarHBondContact O-N 3.04Å | ||
| 128 | R | 59.1 | Low | 55.3 | Low | 174 Ų | 174 | 135 Ų | 135 | 66% | 0.657 | 71% | 0.706 | S | S | * | * | trans | 31.7 | 54.1 | 165.5 | -69.3 | -159.9 | 63.6 | -151.6 | -10.3 | 116.1 | R126 G130 Q131 | R126-R128 PolarHBondContact O-N 3.44Å; R128-G130 PolarHBondContact O-N 3.01Å; R128-Q131 HydrophobicContact CB-CG 4.37Å; R128-Q131 VanDerWaalsContact NH2-CD 3.31Å; R128-Q131 PolarHBondContact O-N 3.45Å | ||
| 129 | E | 54.5 | Low | 55.8 | Low | 204 Ų | 204 | 138.9 Ų | 138.9 | 95% | 0.953 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | 121.4 | 170.6 | -150.6 | 160 | -156.4 | 0 | 0 | 108.5 | L127 | L127-E129 VanDerWaalsContact C-N 3.27Å; L127-E129 PolarHBondContact O-N 3.04Å |
| 130 | G | 58.7 | Low | 57.3 | Low | 40 Ų | 40 | 136.8 Ų | 136.8 | 41% | 0.412 | 70% | 0.696 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 117.8 | 7.3 | -168.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | R128 D135 | R128-G130 PolarHBondContact O-N 3.01Å; G130-D135 VanDerWaalsContact CA-OD2 3.3Å; G130-D135 WeakPolarHBondContact CA-OD2 2.99Å |
| 131 | Q | 59.2 | Low | 58.3 | Low | 120 Ų | 120 | 136.5 Ų | 136.5 | 56% | 0.561 | 69% | 0.692 | S | S | * | * | trans | -96.5 | 8.9 | 171.2 | -69.9 | -157.2 | -103 | 0 | 0 | 114.5 | R128 | R128-Q131 HydrophobicContact CB-CG 4.37Å; R128-Q131 VanDerWaalsContact NH2-CD 3.31Å; R128-Q131 PolarHBondContact O-N 3.45Å | ||
| 132 | T | 72.4 | Confident | 58.8 | Low | 75 Ų | 75 | 134.2 Ų | 134.2 | 46% | 0.46 | 69% | 0.686 | S | S | . | * | S | Bend | trans | -72.6 | 154.5 | 174.6 | 80.4 | 0 | 0 | 0 | 0 | 110.2 | R134 D135 S136 | T132-R134 PolarHBondContact O-N 3.17Å; T132-R134 PolarHBondContact OG1-N 3.12Å; T132-D135 VanDerWaalsContact CB-OD2 3.28Å; T132-D135 WeakPolarHBondContact CB-OD2 3.49Å; T132-D135 WeakPolarHBondContact CG2-OD2 3.23Å; T132-D135 PolarHBondContact N-OD2 2.81Å; T132-D135 VanDerWaalsContact N-OD2 3.11Å; T132-D135 PolarHBondContact O-N 3.42Å; T132-D135 PolarHBondContact OG1-N 3.04Å; T132-D135 PolarHBondContact OG1-OD1 3.48Å; T132-D135 PolarHBondContact OG1-OD2 3.18Å; T132-S136 PolarHBondContact O-N 3.32Å; T132-S136 PolarHBondContact O-OG 2.74Å |
| 133 | L | 66.1 | Low | 59.9 | Low | 144 Ų | 144 | 132.1 Ų | 132.1 | 75% | 0.754 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -62.9 | -25.7 | 178.2 | -156.1 | 147.4 | 0 | 0 | 0 | 111.4 | M137 | L133-M137 WeakPolarHBondContact O-CG 3.37Å; L133-M137 PolarHBondContact O-N 3.19Å |
| 134 | R | 75.4 | Confident | 60 | Low | 210 Ų | 210 | 133.2 Ų | 133.2 | 79% | 0.792 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -66.7 | -46.7 | 170.8 | -67.1 | -179.6 | 178.5 | 161.4 | -0.2 | 111.8 | T132 S136 M137 L138 | T132-R134 PolarHBondContact O-N 3.17Å; T132-R134 PolarHBondContact OG1-N 3.12Å; R134-S136 PolarHBondContact O-N 2.84Å; R134-M137 PolarHBondContact O-N 2.88Å; R134-L138 PolarHBondContact O-N 3.16Å; R134-L138 VanDerWaalsContact O-N 3.1Å |
| 135 | D | 68.4 | Low | 60.1 | Low | 39 Ų | 39 | 137.9 Ų | 137.9 | 21% | 0.209 | 67% | 0.671 | C | S | . | * | H | α-helix | trans | -65.2 | -31.5 | 179.4 | -49.2 | -38.3 | 0 | 0 | 0 | 111.8 | G130 T132 M137 L138 | G130-D135 VanDerWaalsContact CA-OD2 3.3Å; G130-D135 WeakPolarHBondContact CA-OD2 2.99Å; T132-D135 VanDerWaalsContact CB-OD2 3.28Å; T132-D135 WeakPolarHBondContact CB-OD2 3.49Å; T132-D135 WeakPolarHBondContact CG2-OD2 3.23Å; T132-D135 PolarHBondContact N-OD2 2.81Å; T132-D135 VanDerWaalsContact N-OD2 3.11Å; T132-D135 PolarHBondContact O-N 3.42Å; T132-D135 PolarHBondContact OG1-N 3.04Å; T132-D135 PolarHBondContact OG1-OD1 3.48Å; T132-D135 PolarHBondContact OG1-OD2 3.18Å; D135-M137 VanDerWaalsContact C-N 3.29Å; D135-M137 PolarHBondContact O-N 3.04Å; D135-L138 PolarHBondContact O-N 2.79Å |
| 136 | S | 69.1 | Low | 60.4 | Low | 97 Ų | 97 | 134.9 Ų | 134.9 | 68% | 0.678 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -72.5 | -19.1 | 174.2 | -58.3 | 0 | 0 | 0 | 0 | 113.7 | T132 R134 | T132-S136 PolarHBondContact O-N 3.32Å; T132-S136 PolarHBondContact O-OG 2.74Å; R134-S136 PolarHBondContact O-N 2.84Å |
| 137 | M | 76.6 | Confident | 60.3 | Low | 156 Ų | 156 | 135.1 Ų | 135.1 | 77% | 0.768 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -92.2 | -12 | 169.3 | -58.4 | -143.1 | -41.9 | 0 | 0 | 113.1 | L133 R134 D135 K139 | L133-M137 WeakPolarHBondContact O-CG 3.37Å; L133-M137 PolarHBondContact O-N 3.19Å; R134-M137 PolarHBondContact O-N 2.88Å; D135-M137 VanDerWaalsContact C-N 3.29Å; D135-M137 PolarHBondContact O-N 3.04Å; M137-K139 PolarHBondContact O-N 2.81Å |
| 138 | L | 76.8 | Confident | 60.4 | Low | 96 Ų | 96 | 134.5 Ų | 134.5 | 50% | 0.503 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -78.7 | 106.9 | 174.8 | -82.8 | 160.3 | 0 | 0 | 0 | 109.7 | R134 D135 Y140 | R134-L138 PolarHBondContact O-N 3.16Å; R134-L138 VanDerWaalsContact O-N 3.1Å; D135-L138 PolarHBondContact O-N 2.79Å; L138-Y140 HydrophobicContact CB-CE2 3.92Å; L138-Y140 VanDerWaalsContact O-CD2 3.22Å; L138-Y140 WeakPolarHBondContact O-CD2 3.37Å; L138-Y140 PolarHBondContact O-N 3.15Å |
| 139 | K | 71.1 | Confident | 59.4 | Low | 191 Ų | 191 | 135.9 Ų | 135.9 | 83% | 0.83 | 67% | 0.674 | S | S | * | * | trans | -75.2 | 92.5 | 179.8 | -172.6 | 178.4 | 179.4 | 180 | 0 | 111 | M137 | M137-K139 PolarHBondContact O-N 2.81Š| ||
| 140 | Y | 65.6 | Low | 58.3 | Low | 136 Ų | 136 | 130.3 Ų | 130.3 | 53% | 0.533 | 67% | 0.671 | S | S | . | * | trans | -74.2 | 133 | 168.4 | -62.8 | -84 | 0 | 0 | 0 | 110.7 | L138 D142 S143 | L138-Y140 HydrophobicContact CB-CE2 3.92Å; L138-Y140 VanDerWaalsContact O-CD2 3.22Å; L138-Y140 WeakPolarHBondContact O-CD2 3.37Å; L138-Y140 PolarHBondContact O-N 3.15Å; Y140-D142 PolarHBondContact O-N 2.95Å; Y140-S143 PolarHBondContact O-N 2.92Å; Y140-S143 PolarHBondContact O-OG 3Å | ||
| 141 | P | 56.6 | Low | 57 | Low | 102 Ų | 102 | 131.4 Ų | 131.4 | 66% | 0.662 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -64 | -27.3 | -178.2 | 25.3 | -34 | 0 | 0 | 0 | 113.3 | S143 | P141-S143 VanDerWaalsContact C-N 3.35Å; P141-S143 PolarHBondContact O-N 3.44Å |
| 142 | D | 53.7 | Low | 55.7 | Low | 142 Ų | 142 | 132.4 Ų | 132.4 | 76% | 0.759 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -92.4 | 9.6 | -173.2 | -53.2 | -34.6 | 0 | 0 | 0 | 113.7 | Y140 H144 | Y140-D142 PolarHBondContact O-N 2.95Å; D142-H144 PolarHBondContact O-N 3.23Å; D142-H144 VanDerWaalsContact O-N 3.11Å |
| 143 | S | 57.7 | Low | 54.2 | Low | 83 Ų | 83 | 136.7 Ų | 136.7 | 58% | 0.58 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -66.8 | -6.8 | 177.7 | 52.2 | 0 | 0 | 0 | 0 | 114.2 | Y140 P141 Q145 | Y140-S143 PolarHBondContact O-N 2.92Å; Y140-S143 PolarHBondContact O-OG 3Å; P141-S143 VanDerWaalsContact C-N 3.35Å; P141-S143 PolarHBondContact O-N 3.44Å; S143-Q145 VanDerWaalsContact C-N 3.34Å; S143-Q145 PolarHBondContact O-N 3.12Å; S143-Q145 VanDerWaalsContact O-N 3.13Å |
| 144 | H | 48.6 | Very low | 53.1 | Low | 161 Ų | 161 | 138.7 Ų | 138.7 | 75% | 0.745 | 72% | 0.722 | S | S | * | * | trans | -85 | 63.3 | 175.8 | -65 | -61.8 | 0 | 0 | 0 | 113.3 | D142 | D142-H144 PolarHBondContact O-N 3.23Å; D142-H144 VanDerWaalsContact O-N 3.11Å | ||
| 145 | Q | 44.4 | Very low | 51.2 | Low | 170 Ų | 170 | 134.2 Ų | 134.2 | 79% | 0.794 | 72% | 0.723 | S | S | * | * | trans | -118.1 | 107.6 | 159.7 | -72.5 | -161.1 | -10.7 | 0 | 0 | 110.4 | S143 R147 | S143-Q145 VanDerWaalsContact C-N 3.34Å; S143-Q145 PolarHBondContact O-N 3.12Å; S143-Q145 VanDerWaalsContact O-N 3.13Å; Q145-R147 PolarHBondContact O-N 3.41Å | ||
| 146 | P | 43.9 | Very low | 49.4 | Very low | 101 Ų | 101 | 140.4 Ų | 140.4 | 66% | 0.656 | 76% | 0.755 | S | S | * | * | trans | -70.1 | 118.3 | 173.7 | 30.9 | -33.2 | 0 | 0 | 0 | 108.4 | I148 | P146-I148 HydrophobicContact CB-CD1 4.16Å; P146-I148 HydrophobicContact CB-CG1 4Å; P146-I148 HydrophobicContact CG-CD1 3.88Å; P146-I148 HydrophobicContact CG-CG1 4.2Å; P146-I148 PolarHBondContact O-N 2.83Å | ||
| 147 | R | 44.1 | Very low | 48 | Very low | 258 Ų | 258 | 139.1 Ų | 139.1 | 97% | 0.974 | 76% | 0.758 | S | S | * | * | trans | -69.7 | 83.6 | 170 | -85.6 | -172.3 | 174.2 | -167.9 | -1.7 | 109.8 | Q145 F149 | Q145-R147 PolarHBondContact O-N 3.41Å; R147-F149 PolarHBondContact O-N 3.17Å | ||
| 148 | I | 45.8 | Very low | 45.9 | Very low | 126 Ų | 126 | 141.6 Ų | 141.6 | 65% | 0.646 | 76% | 0.758 | S | S | * | * | trans | -82.2 | 103.8 | 176.9 | -69.9 | 175.4 | 0 | 0 | 0 | 108.5 | P146 | P146-I148 HydrophobicContact CB-CD1 4.16Å; P146-I148 HydrophobicContact CB-CG1 4Å; P146-I148 HydrophobicContact CG-CD1 3.88Å; P146-I148 HydrophobicContact CG-CG1 4.2Å; P146-I148 PolarHBondContact O-N 2.83Å | ||
| 149 | F | 39.2 | Very low | 44.3 | Very low | 203 Ų | 203 | 143.1 Ų | 143.1 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | trans | 68 | 147 | 167.2 | -60.8 | -65.4 | 0 | 0 | 0 | 120.9 | R147 | R147-F149 PolarHBondContact O-N 3.17Š| ||
| 150 | G | 31.1 | Very low | 42.5 | Very low | 86 Ų | 86 | 140.8 Ų | 140.8 | 89% | 0.887 | 77% | 0.769 | S | S | * | * | trans | 179 | 48.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 151 | G | 31.5 | Very low | 41.6 | Very low | 64 Ų | 64 | 139.3 Ų | 139.3 | 66% | 0.66 | 78% | 0.779 | S | S | * | * | trans | 155.5 | 112.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 152 | V | 31.7 | Very low | 40.9 | Very low | 141 Ų | 141 | 140.4 Ų | 140.4 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | 64.1 | 112.1 | 142.4 | -172.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 153 | L | 40.5 | Very low | 40.7 | Very low | 165 Ų | 165 | 143.1 Ų | 143.1 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | cis | -167 | 159.1 | 31.5 | -165.3 | 77.2 | 0 | 0 | 0 | 108.9 | ||||
| 154 | E | 42.6 | Very low | 40.3 | Very low | 186 Ų | 186 | 144.8 Ų | 144.8 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | trans | -81.3 | 140.9 | 177 | -59.5 | 173.9 | 117.7 | 0 | 0 | 113.7 | ||||
| 155 | S | 35.7 | Very low | 40.5 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | trans | -159.9 | 98 | 147.9 | 66.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 156 | D | 31.4 | Very low | 41 | Very low | 168 Ų | 168 | 137.8 Ų | 137.8 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | 42 | 117.9 | 140.2 | -146.2 | 2.4 | 0 | 0 | 0 | 122 | ||||
| 157 | G | 39.3 | Very low | 41.4 | Very low | 70 Ų | 70 | 138.4 Ų | 138.4 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | 78.3 | 45.1 | 116.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 158 | R | 31.8 | Very low | 41.8 | Very low | 208 Ų | 208 | 137.5 Ų | 137.5 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -156.3 | 135.7 | 151.3 | -138.8 | 175.4 | -173.3 | -164.5 | 9.1 | 115.5 | E160 | R158-E160 HydrophobicContact CB-CG 4.48Å; R158-E160 WeakPolarHBondContact CD-OE1 3.24Å; R158-E160 HydrophobicContact CG-CG 4.47Å; R158-E160 IonicContact CZ-OE1 3.86Å; R158-E160 IonicContact NH1-OE1 3.74Å; R158-E160 PolarHBondContact NH1-OE1 2.92Å; R158-E160 PolarHBondContact O-N 2.93Å | ||
| 159 | S | 45.1 | Very low | 42.1 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | trans | -71.4 | 101.3 | 164.8 | -54.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 160 | E | 33.1 | Very low | 42.8 | Very low | 143 Ų | 143 | 129 Ų | 129 | 67% | 0.668 | 77% | 0.773 | S | S | * | * | trans | -121.4 | 156.1 | 169.7 | -73.9 | -174.4 | 175.7 | 0 | 0 | 111.1 | R158 | R158-E160 HydrophobicContact CB-CG 4.48Å; R158-E160 WeakPolarHBondContact CD-OE1 3.24Å; R158-E160 HydrophobicContact CG-CG 4.47Å; R158-E160 IonicContact CZ-OE1 3.86Å; R158-E160 IonicContact NH1-OE1 3.74Å; R158-E160 PolarHBondContact NH1-OE1 2.92Å; R158-E160 PolarHBondContact O-N 2.93Å | ||
| 161 | S | 45.1 | Very low | 43.8 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 158.8 | -160.4 | 39.8 | 0 | 0 | 0 | 0 | 115 | K163 | S161-K163 PolarHBondContact O-N 3.44Å; S161-K163 VanDerWaalsContact O-N 3.12Å |
| 162 | P | 43.1 | Very low | 44.8 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 120.9 | 171.6 | 25.1 | -33.8 | 0 | 0 | 0 | 110.1 | ||
| 163 | K | 49 | Very low | 46.1 | Very low | 198 Ų | 198 | 137 Ų | 137 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 131.2 | 174.5 | -117.2 | 169 | 179.7 | 167.8 | 0 | 109.6 | S161 | S161-K163 PolarHBondContact O-N 3.44Å; S161-K163 VanDerWaalsContact O-N 3.12Å |
| 164 | P | 49.6 | Very low | 46.5 | Very low | 118 Ų | 118 | 135.8 Ų | 135.8 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 147.7 | 167.4 | 27.8 | -33.1 | 0 | 0 | 0 | 109.3 | ||
| 165 | A | 52.4 | Low | 47.1 | Very low | 87 Ų | 87 | 133.9 Ų | 133.9 | 72% | 0.719 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 150.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | D167 | A165-D167 PolarHBondContact O-N 3.24Š|
| 166 | P | 54 | Low | 47.8 | Very low | 98 Ų | 98 | 139.3 Ų | 139.3 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 131.3 | 174.8 | -23.4 | 33.3 | 0 | 0 | 0 | 110.9 | W168 | P166-W168 PolarHBondContact O-N 2.88Š|
| 167 | D | 54.2 | Low | 48.9 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 61% | 0.61 | 73% | 0.73 | S | S | * | * | trans | -67.4 | 93.9 | 174.7 | 172.3 | 15.2 | 0 | 0 | 0 | 109.9 | A165 G169 S170 | A165-D167 PolarHBondContact O-N 3.24Å; D167-G169 VanDerWaalsContact C-N 3.26Å; D167-G169 WeakPolarHBondContact OD1-CA 3.07Å; D167-G169 PolarHBondContact OD1-N 3.32Å; D167-S170 VanDerWaalsContact CG-OG 3.26Å; D167-S170 PolarHBondContact OD1-N 3.3Å; D167-S170 VanDerWaalsContact OD1-N 3.11Å; D167-S170 PolarHBondContact OD1-OG 3.33Å; D167-S170 VanDerWaalsContact OD2-CB 3.26Å; D167-S170 WeakPolarHBondContact OD2-CB 3.23Å; D167-S170 PolarHBondContact OD2-OG 2.84Å | ||
| 168 | W | 51.5 | Low | 49.8 | Very low | 239 Ų | 239 | 139.4 Ų | 139.4 | 91% | 0.905 | 72% | 0.722 | S | S | * | * | trans | -87.1 | 8.3 | 168.1 | -65.8 | 101.8 | 0 | 0 | 0 | 112.5 | P166 | P166-W168 PolarHBondContact O-N 2.88Š| ||
| 169 | G | 51.6 | Low | 50.9 | Low | 68 Ų | 68 | 137.1 Ų | 137.1 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -97 | -21.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | D167 | D167-G169 VanDerWaalsContact C-N 3.26Å; D167-G169 WeakPolarHBondContact OD1-CA 3.07Å; D167-G169 PolarHBondContact OD1-N 3.32Å |
| 170 | S | 55 | Low | 51.3 | Low | 83 Ų | 83 | 137.2 Ų | 137.2 | 58% | 0.58 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -100.1 | -7.8 | -171 | 61.7 | 0 | 0 | 0 | 0 | 116.4 | D167 | D167-S170 VanDerWaalsContact CG-OG 3.26Å; D167-S170 PolarHBondContact OD1-N 3.3Å; D167-S170 VanDerWaalsContact OD1-N 3.11Å; D167-S170 PolarHBondContact OD1-OG 3.33Å; D167-S170 VanDerWaalsContact OD2-CB 3.26Å; D167-S170 WeakPolarHBondContact OD2-CB 3.23Å; D167-S170 PolarHBondContact OD2-OG 2.84Å |
| 171 | Q | 52.5 | Low | 52.2 | Low | 176 Ų | 176 | 140.7 Ų | 140.7 | 82% | 0.822 | 72% | 0.721 | S | S | * | * | trans | -103 | 86.3 | 173.1 | -70.8 | -160.2 | -18.2 | 0 | 0 | 112.7 | P173 | Q171-P173 VanDerWaalsContact O-CD 3.3Å; Q171-P173 WeakPolarHBondContact O-CD 3.28Å | ||
| 172 | R | 52.4 | Low | 52.8 | Low | 175 Ų | 175 | 141 Ų | 141 | 66% | 0.66 | 72% | 0.721 | S | S | * | * | trans | -76.7 | 115 | 157.5 | -79.1 | -172.7 | 177 | -161.5 | 0.8 | 109 | F174 | R172-F174 PolarHBondContact O-N 2.87Š| ||
| 173 | P | 58.5 | Low | 53.5 | Low | 107 Ų | 107 | 141 Ų | 141 | 70% | 0.695 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -76 | -4.4 | -180 | -13.7 | 30.6 | 0 | 0 | 0 | 113.9 | Q171 | Q171-P173 VanDerWaalsContact O-CD 3.3Å; Q171-P173 WeakPolarHBondContact O-CD 3.28Å |
| 174 | F | 48.1 | Very low | 53.9 | Low | 140 Ų | 140 | 137.8 Ų | 137.8 | 61% | 0.614 | 71% | 0.711 | S | S | * | * | trans | -134.8 | 56.5 | -161.2 | -60.2 | -63.4 | 0 | 0 | 0 | 114.1 | R172 R176 F177 | R172-F174 PolarHBondContact O-N 2.87Å; F174-R176 PolarHBondContact O-N 2.99Å; F174-F177 HydrophobicContact CB-CD2 4.19Å; F174-F177 HydrophobicContact CD1-CD2 4.43Å; F174-F177 HydrophobicContact CD1-CE2 4.12Å | ||
| 175 | H | 56 | Low | 54.3 | Low | 146 Ų | 146 | 137.4 Ų | 137.4 | 68% | 0.676 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 37.3 | 169.7 | -84.5 | -60.3 | 0 | 0 | 0 | 114 | ||
| 176 | R | 50.6 | Low | 54.4 | Low | 229 Ų | 229 | 138.7 Ų | 138.7 | 86% | 0.864 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.1 | 12 | -177.7 | -87.4 | -157.6 | -87.2 | -157.5 | -4.7 | 115.6 | F174 | F174-R176 PolarHBondContact O-N 2.99Š|
| 177 | F | 54.3 | Low | 54.5 | Low | 138 Ų | 138 | 140.3 Ų | 140.3 | 61% | 0.605 | 71% | 0.709 | S | S | * | * | trans | -125.6 | 16.6 | 179.1 | -64.4 | -64.9 | 0 | 0 | 0 | 114.1 | F174 D179 | F174-F177 HydrophobicContact CB-CD2 4.19Å; F174-F177 HydrophobicContact CD1-CD2 4.43Å; F174-F177 HydrophobicContact CD1-CE2 4.12Å; F177-D179 VanDerWaalsContact C-N 3.35Å; F177-D179 PolarHBondContact O-N 3.2Å | ||
| 178 | D | 57 | Low | 54.6 | Low | 102 Ų | 102 | 143.9 Ų | 143.9 | 55% | 0.545 | 71% | 0.714 | S | S | . | * | S | Bend | trans | -78.8 | -12.4 | -178 | -67.2 | -55.6 | 0 | 0 | 0 | 113.7 | ||
| 179 | D | 56.2 | Low | 55.2 | Low | 160 Ų | 160 | 139 Ų | 139 | 86% | 0.856 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -117.2 | 36 | -168.8 | -66.3 | -37.6 | 0 | 0 | 0 | 116 | F177 | F177-D179 VanDerWaalsContact C-N 3.35Å; F177-D179 PolarHBondContact O-N 3.2Å |
| 180 | I | 53 | Low | 55.8 | Low | 131 Ų | 131 | 147.4 Ų | 147.4 | 67% | 0.672 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -127.8 | -3.5 | 178.1 | -42.7 | 178.9 | 0 | 0 | 0 | 113.6 | ||
| 181 | W | 52.7 | Low | 56.7 | Low | 215 Ų | 215 | 150.5 Ų | 150.5 | 81% | 0.814 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -93.7 | 129.9 | 171.8 | -62.8 | 109.4 | 0 | 0 | 0 | 110.1 | V183 | W181-V183 PolarHBondContact O-N 3.27Š|
| 182 | P | 57.2 | Low | 57.6 | Low | 110 Ų | 110 | 147.6 Ų | 147.6 | 71% | 0.714 | 72% | 0.717 | S | S | * | * | trans | -62 | 99.7 | 168.4 | -17.8 | 30.7 | 0 | 0 | 0 | 108.9 | D184 | P182-D184 VanDerWaalsContact C-N 3.29Å; P182-D184 PolarHBondContact O-N 3.22Å | ||
| 183 | V | 58.7 | Low | 58.8 | Low | 127 Ų | 127 | 145 Ų | 145 | 77% | 0.77 | 72% | 0.717 | S | S | * | * | trans | -73 | 93.7 | 164.4 | 176 | 0 | 0 | 0 | 0 | 106 | W181 P185 | W181-V183 PolarHBondContact O-N 3.27Å; V183-P185 VanDerWaalsContact O-CD 3.23Å; V183-P185 WeakPolarHBondContact O-CD 3.23Å; V183-P185 VanDerWaalsContact O-N 3.12Å | ||
| 184 | D | 57 | Low | 59.9 | Low | 131 Ų | 131 | 142 Ų | 142 | 70% | 0.701 | 69% | 0.694 | S | S | * | * | trans | -54.5 | 116 | 171 | -82.2 | -43.4 | 0 | 0 | 0 | 108.9 | P182 H186 | P182-D184 VanDerWaalsContact C-N 3.29Å; P182-D184 PolarHBondContact O-N 3.22Å; D184-H186 PolarHBondContact O-N 3.39Å | ||
| 185 | P | 57.5 | Low | 61.4 | Low | 110 Ų | 110 | 141.5 Ų | 141.5 | 71% | 0.714 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -82.6 | 54.6 | -174.8 | 35 | -36 | 0 | 0 | 0 | 110.5 | V183 | V183-P185 VanDerWaalsContact O-CD 3.23Å; V183-P185 WeakPolarHBondContact O-CD 3.23Å; V183-P185 VanDerWaalsContact O-N 3.12Å |
| 186 | H | 53.6 | Low | 62.7 | Low | 114 Ų | 114 | 139.7 Ų | 139.7 | 53% | 0.528 | 69% | 0.693 | S | S | . | * | trans | -134.1 | 103.6 | 173.2 | -71.3 | 90.7 | 0 | 0 | 0 | 109.2 | D184 R188 | D184-H186 PolarHBondContact O-N 3.39Å; H186-R188 HydrophobicContact CB-CG 4.27Å; H186-R188 PolarHBondContact O-N 3.36Å | ||
| 187 | P | 56.2 | Low | 64.2 | Low | 131 Ų | 131 | 130.8 Ų | 130.8 | 85% | 0.851 | 67% | 0.665 | S | S | * | * | trans | -71.3 | 64.1 | 158 | 33.9 | -34.5 | 0 | 0 | 0 | 108.5 | T189 | P187-T189 PolarHBondContact O-N 3.49Š| ||
| 188 | R | 57.1 | Low | 65.4 | Low | 189 Ų | 189 | 128.4 Ų | 128.4 | 71% | 0.713 | 66% | 0.656 | S | S | * | * | trans | -61.6 | 116.8 | 150.5 | -70.1 | -176.2 | -173.6 | 123.6 | 5.9 | 103.8 | H186 R190 | H186-R188 HydrophobicContact CB-CG 4.27Å; H186-R188 PolarHBondContact O-N 3.36Å; R188-R190 VanDerWaalsContact C-N 3.34Å; R188-R190 PolarHBondContact O-N 3.03Å | ||
| 189 | T | 63.9 | Low | 66.5 | Low | 136 Ų | 136 | 125.8 Ų | 125.8 | 83% | 0.834 | 64% | 0.644 | S | S | * | * | trans | -47.8 | 105.8 | 165.8 | 42.2 | 0 | 0 | 0 | 0 | 106.4 | P187 E191 | P187-T189 PolarHBondContact O-N 3.49Å; T189-E191 VanDerWaalsContact C-N 3.26Å; T189-E191 PolarHBondContact O-N 3.37Å | ||
| 190 | R | 65.4 | Low | 67.7 | Low | 246 Ų | 246 | 123.1 Ų | 123.1 | 93% | 0.928 | 64% | 0.638 | S | S | * | * | trans | -64.3 | 101.7 | 171.1 | -75.4 | -175.4 | 177.4 | -176.4 | -1.1 | 104.2 | R188 D192 | R188-R190 VanDerWaalsContact C-N 3.34Å; R188-R190 PolarHBondContact O-N 3.03Å; R190-D192 PolarHBondContact O-N 3.19Å; R190-D192 VanDerWaalsContact O-N 3.15Å | ||
| 191 | E | 72.4 | Confident | 69 | Low | 147 Ų | 147 | 124.2 Ų | 124.2 | 69% | 0.687 | 64% | 0.64 | S | S | * | * | trans | -58.7 | 116.7 | 168.1 | -174.9 | 162.2 | -148.4 | 0 | 0 | 105.5 | T189 N193 | T189-E191 VanDerWaalsContact C-N 3.26Å; T189-E191 PolarHBondContact O-N 3.37Å; E191-N193 PolarHBondContact O-N 3.21Å; E191-N193 PolarHBondContact O-ND2 2.81Å | ||
| 192 | D | 72.8 | Confident | 70.4 | Confident | 116 Ų | 116 | 120.4 Ų | 120.4 | 62% | 0.62 | 63% | 0.631 | S | S | * | * | trans | -68.8 | 104.6 | -179.9 | -139.7 | -27.3 | 0 | 0 | 0 | 106 | R190 D194 | R190-D192 PolarHBondContact O-N 3.19Å; R190-D192 VanDerWaalsContact O-N 3.15Å; D192-D194 PolarHBondContact O-N 3.49Å | ||
| 193 | N | 77.2 | Confident | 71.5 | Confident | 121 Ų | 121 | 116.6 Ų | 116.6 | 65% | 0.647 | 61% | 0.612 | S | S | * | * | trans | -84.7 | 43.5 | 178.2 | -79.9 | -102.5 | 0 | 0 | 0 | 108.6 | E191 | E191-N193 PolarHBondContact O-N 3.21Å; E191-N193 PolarHBondContact O-ND2 2.81Å | ||
| 194 | D | 82 | Confident | 72.5 | Confident | 42 Ų | 42 | 115.2 Ų | 115.2 | 23% | 0.225 | 60% | 0.6 | C | S | . | * | trans | -79.1 | 157.6 | 174.1 | 63.1 | 23 | 0 | 0 | 0 | 110.5 | D192 D196 S197 Q198 | D192-D194 PolarHBondContact O-N 3.49Å; D194-D196 VanDerWaalsContact C-N 3.3Å; D194-D196 WeakPolarHBondContact CB-OD1 3.29Å; D194-D196 VanDerWaalsContact CG-OD1 3.29Å; D194-S197 WeakPolarHBondContact OD1-CA 3.3Å; D194-S197 WeakPolarHBondContact OD1-CB 3.38Å; D194-S197 PolarHBondContact OD1-N 2.96Å; D194-S197 PolarHBondContact OD1-OG 3.41Å; D194-Q198 PolarHBondContact O-N 3.47Å | ||
| 195 | L | 79.8 | Confident | 73.4 | Confident | 131 Ų | 131 | 111 Ų | 111 | 69% | 0.686 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -74.4 | -26.6 | -173.4 | -68.1 | 171 | 0 | 0 | 0 | 111.4 | Q198 V199 | L195-Q198 PolarHBondContact O-N 3.32Å; L195-V199 WeakPolarHBondContact O-CB 3.49Å; L195-V199 VanDerWaalsContact O-CG2 3.23Å; L195-V199 WeakPolarHBondContact O-CG2 3.32Å; L195-V199 PolarHBondContact O-N 3.22Å |
| 196 | D | 81.5 | Confident | 74 | Confident | 108 Ų | 108 | 108.5 Ų | 108.5 | 58% | 0.578 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -73.7 | -31.4 | 177.5 | 44.2 | -47 | 0 | 0 | 0 | 113.2 | D194 S200 | D194-D196 VanDerWaalsContact C-N 3.3Å; D194-D196 WeakPolarHBondContact CB-OD1 3.29Å; D194-D196 VanDerWaalsContact CG-OD1 3.29Å; D196-S200 VanDerWaalsContact O-CB 3.24Å; D196-S200 WeakPolarHBondContact O-CB 3.3Å; D196-S200 PolarHBondContact O-N 3.25Å; D196-S200 PolarHBondContact O-OG 2.67Å |
| 197 | S | 83.8 | Confident | 74.6 | Confident | 41 Ų | 41 | 107.2 Ų | 107.2 | 29% | 0.287 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.9 | -45.1 | 167.5 | -66.5 | 0 | 0 | 0 | 0 | 111.5 | D194 S200 Q201 | D194-S197 WeakPolarHBondContact OD1-CA 3.3Å; D194-S197 WeakPolarHBondContact OD1-CB 3.38Å; D194-S197 PolarHBondContact OD1-N 2.96Å; D194-S197 PolarHBondContact OD1-OG 3.41Å; S197-S200 PolarHBondContact O-N 3.35Å; S197-Q201 WeakPolarHBondContact O-CG 3.42Å; S197-Q201 PolarHBondContact O-N 3.49Å |
| 198 | Q | 78.1 | Confident | 75.4 | Confident | 89 Ų | 89 | 107.1 Ų | 107.1 | 42% | 0.416 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.2 | -47.1 | 176.8 | -67.2 | -178.7 | -2.8 | 0 | 0 | 111.8 | D194 L195 S200 Q201 E202 | D194-Q198 PolarHBondContact O-N 3.47Å; L195-Q198 PolarHBondContact O-N 3.32Å; Q198-S200 VanDerWaalsContact C-N 3.26Å; Q198-S200 PolarHBondContact O-N 3.5Å; Q198-Q201 PolarHBondContact O-N 2.7Å; Q198-E202 PolarHBondContact O-N 3.01Å |
| 199 | V | 80.6 | Confident | 76.3 | Confident | 47 Ų | 47 | 104.4 Ų | 104.4 | 29% | 0.285 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64 | -29.8 | 176.3 | 169.3 | 0 | 0 | 0 | 0 | 112.2 | L195 G203 L204 V207 | L195-V199 WeakPolarHBondContact O-CB 3.49Å; L195-V199 VanDerWaalsContact O-CG2 3.23Å; L195-V199 WeakPolarHBondContact O-CG2 3.32Å; L195-V199 PolarHBondContact O-N 3.22Å; V199-G203 WeakPolarHBondContact O-CA 3.45Å; V199-G203 PolarHBondContact O-N 3.26Å; V199-L204 HydrophobicContact CG1-CD2 3.67Å; V199-L204 HydrophobicContact CG1-CG 4.04Å; V199-L204 HydrophobicContact CG2-CD2 3.97Å; V199-V207 HydrophobicContact CG2-CG2 4.1Å |
| 200 | S | 81.1 | Confident | 76.7 | Confident | 103 Ų | 103 | 103.5 Ų | 103.5 | 72% | 0.72 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -76.9 | -30.2 | 176.3 | -60.9 | 0 | 0 | 0 | 0 | 113.3 | D196 S197 Q198 | D196-S200 VanDerWaalsContact O-CB 3.24Å; D196-S200 WeakPolarHBondContact O-CB 3.3Å; D196-S200 PolarHBondContact O-N 3.25Å; D196-S200 PolarHBondContact O-OG 2.67Å; S197-S200 PolarHBondContact O-N 3.35Å; Q198-S200 VanDerWaalsContact C-N 3.26Å; Q198-S200 PolarHBondContact O-N 3.5Å |
| 201 | Q | 80.6 | Confident | 77.1 | Confident | 155 Ų | 155 | 97.7 Ų | 97.7 | 72% | 0.724 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -87.6 | -46.1 | -179.9 | -67.8 | -179.4 | 25.5 | 0 | 0 | 112.8 | S197 Q198 | S197-Q201 WeakPolarHBondContact O-CG 3.42Å; S197-Q201 PolarHBondContact O-N 3.49Å; Q198-Q201 PolarHBondContact O-N 2.7Å |
| 202 | E | 82.6 | Confident | 76.9 | Confident | 135 Ų | 135 | 96.9 Ų | 96.9 | 63% | 0.631 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -101.2 | -13 | -175.1 | -56.4 | -167.1 | 161.8 | 0 | 0 | 113.6 | Q198 P206 | Q198-E202 PolarHBondContact O-N 3.01Å; E202-P206 HydrophobicContact CB-CG 4.11Å; E202-P206 WeakPolarHBondContact O-CD 3.4Å |
| 203 | G | 79.7 | Confident | 76.6 | Confident | 29 Ų | 29 | 97.2 Ų | 97.2 | 30% | 0.299 | 54% | 0.541 | S | S | . | . | trans | 76.5 | 178.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V199 G205 | V199-G203 WeakPolarHBondContact O-CA 3.45Å; V199-G203 PolarHBondContact O-N 3.26Å; G203-G205 PolarHBondContact O-N 3.27Å | ||
| 204 | L | 78.9 | Confident | 76.3 | Confident | 99 Ų | 99 | 94.3 Ų | 94.3 | 52% | 0.518 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -73.2 | -10.1 | 173.9 | -67.3 | 173.2 | 0 | 0 | 0 | 113.3 | V199 V207 L208 | V199-L204 HydrophobicContact CG1-CD2 3.67Å; V199-L204 HydrophobicContact CG1-CG 4.04Å; V199-L204 HydrophobicContact CG2-CD2 3.97Å; L204-V207 PolarHBondContact O-N 3.13Å; L204-L208 HydrophobicContact CB-CD1 3.78Å; L204-L208 HydrophobicContact CB-CG 4.12Å; L204-L208 VanDerWaalsContact O-CB 3.28Å; L204-L208 WeakPolarHBondContact O-CB 3.33Å; L204-L208 VanDerWaalsContact O-CG 3.23Å; L204-L208 WeakPolarHBondContact O-CG 3.45Å; L204-L208 PolarHBondContact O-N 3.43Å |
| 205 | G | 76 | Confident | 75.8 | Confident | 43 Ų | 43 | 101 Ų | 101 | 44% | 0.443 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -58.7 | -47.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | G203 Q209 | G203-G205 PolarHBondContact O-N 3.27Å; G205-Q209 WeakPolarHBondContact O-CG 3.34Å; G205-Q209 PolarHBondContact O-NE2 3.01Å |
| 206 | P | 70.9 | Confident | 75.8 | Confident | 57 Ų | 57 | 100.8 Ų | 100.8 | 37% | 0.37 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -73.3 | -35.8 | 174.6 | -22.2 | 36.6 | 0 | 0 | 0 | 113.1 | E202 Q209 | E202-P206 HydrophobicContact CB-CG 4.11Å; E202-P206 WeakPolarHBondContact O-CD 3.4Å; P206-Q209 PolarHBondContact O-N 3.35Å |
| 207 | V | 65.4 | Low | 76.2 | Confident | 87 Ų | 87 | 101.8 Ų | 101.8 | 53% | 0.527 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.1 | -35.5 | -178.5 | -177.5 | 0 | 0 | 0 | 0 | 112.2 | V199 L204 | V199-V207 HydrophobicContact CG2-CG2 4.1Å; L204-V207 PolarHBondContact O-N 3.13Å |
| 208 | L | 73 | Confident | 76.4 | Confident | 128 Ų | 128 | 102.9 Ų | 102.9 | 67% | 0.67 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -8.3 | 178.2 | -67.1 | 174.9 | 0 | 0 | 0 | 113.7 | L204 P210 | L204-L208 HydrophobicContact CB-CD1 3.78Å; L204-L208 HydrophobicContact CB-CG 4.12Å; L204-L208 VanDerWaalsContact O-CB 3.28Å; L204-L208 WeakPolarHBondContact O-CB 3.33Å; L204-L208 VanDerWaalsContact O-CG 3.23Å; L204-L208 WeakPolarHBondContact O-CG 3.45Å; L204-L208 PolarHBondContact O-N 3.43Å; L208-P210 WeakPolarHBondContact O-CD 3.44Å |
| 209 | Q | 76.9 | Confident | 77.2 | Confident | 132 Ų | 132 | 103.1 Ų | 103.1 | 62% | 0.617 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -76.1 | 119.5 | 173.3 | -82.7 | 170.7 | 64.2 | 0 | 0 | 109.5 | G205 P206 Q211 | G205-Q209 WeakPolarHBondContact O-CG 3.34Å; G205-Q209 PolarHBondContact O-NE2 3.01Å; P206-Q209 PolarHBondContact O-N 3.35Å; Q209-Q211 VanDerWaalsContact C-N 3.33Å; Q209-Q211 PolarHBondContact O-N 2.93Å |
| 210 | P | 72.1 | Confident | 77.6 | Confident | 117 Ų | 117 | 103.7 Ų | 103.7 | 76% | 0.76 | 56% | 0.564 | S | S | * | * | trans | -68 | 96.1 | 172.3 | 29 | -32.9 | 0 | 0 | 0 | 108.4 | L208 | L208-P210 WeakPolarHBondContact O-CD 3.44Š| ||
| 211 | Q | 73.7 | Confident | 78.3 | Confident | 124 Ų | 124 | 102.5 Ų | 102.5 | 58% | 0.579 | 55% | 0.552 | S | S | * | * | trans | -55.5 | 134.9 | 169.9 | -73.9 | -178.1 | -16.8 | 0 | 0 | 108.9 | Q209 K213 | Q209-Q211 VanDerWaalsContact C-N 3.33Å; Q209-Q211 PolarHBondContact O-N 2.93Å; Q211-K213 HydrophobicContact CB-CG 4.21Å; Q211-K213 PolarHBondContact O-N 2.79Å | ||
| 212 | P | 67.3 | Low | 79 | Confident | 131 Ų | 131 | 98.8 Ų | 98.8 | 85% | 0.851 | 54% | 0.54 | S | S | * | . | trans | -67.9 | 87.5 | 172.6 | 28.5 | -33.6 | 0 | 0 | 0 | 108.9 | ||||
| 213 | K | 68.2 | Low | 79.6 | Confident | 122 Ų | 122 | 98.9 Ų | 98.9 | 53% | 0.53 | 54% | 0.538 | S | S | . | . | trans | -89 | 134.9 | 175.5 | -69.9 | 172.5 | 177 | 173.9 | 0 | 108.3 | Q211 Y215 | Q211-K213 HydrophobicContact CB-CG 4.21Å; Q211-K213 PolarHBondContact O-N 2.79Å; K213-Y215 HydrophobicContact CB-CE1 4.06Å; K213-Y215 HydrophobicContact CB-CE2 4.3Å; K213-Y215 WeakPolarHBondContact O-CD2 3.46Å; K213-Y215 VanDerWaalsContact O-CE2 3.23Å; K213-Y215 WeakPolarHBondContact O-CE2 3.42Å; K213-Y215 PolarHBondContact O-N 3.34Å | ||
| 214 | S | 70.6 | Confident | 80.2 | Confident | 60 Ų | 60 | 100.8 Ų | 100.8 | 42% | 0.42 | 54% | 0.541 | S | S | . | . | trans | -71.3 | 92.6 | 174.3 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | F216 S240 | S214-F216 VanDerWaalsContact C-N 3.32Å; S214-F216 PolarHBondContact O-N 3.26Å; S214-F216 PolarHBondContact OG-O 2.77Å; S214-S240 VanDerWaalsContact CA-OG 3.26Å; S214-S240 WeakPolarHBondContact CA-OG 3.44Å; S214-S240 WeakPolarHBondContact CB-OG 3.41Å; S214-S240 PolarHBondContact OG-OG 3.06Å; S214-S240 VanDerWaalsContact OG-OG 3.08Å | ||
| 215 | Y | 70.7 | Confident | 80.9 | Confident | 183 Ų | 183 | 100.6 Ų | 100.6 | 72% | 0.718 | 54% | 0.544 | S | S | * | . | trans | -72.8 | -20.6 | -173.5 | -65.5 | -73.2 | 0 | 0 | 0 | 114.3 | K213 | K213-Y215 HydrophobicContact CB-CE1 4.06Å; K213-Y215 HydrophobicContact CB-CE2 4.3Å; K213-Y215 WeakPolarHBondContact O-CD2 3.46Å; K213-Y215 VanDerWaalsContact O-CE2 3.23Å; K213-Y215 WeakPolarHBondContact O-CE2 3.42Å; K213-Y215 PolarHBondContact O-N 3.34Å | ||
| 216 | F | 80.2 | Confident | 81.7 | Confident | 127 Ų | 127 | 101.9 Ų | 101.9 | 56% | 0.557 | 54% | 0.537 | S | S | * | . | trans | -132.9 | 145.2 | 176 | 71.6 | -94.5 | 0 | 0 | 0 | 111.9 | S214 S240 | S214-F216 VanDerWaalsContact C-N 3.32Å; S214-F216 PolarHBondContact O-N 3.26Å; S214-F216 PolarHBondContact OG-O 2.77Å; F216-S240 VanDerWaalsContact CD1-CB 3.47Å; F216-S240 VanDerWaalsContact CE1-CB 3.44Å; F216-S240 VanDerWaalsContact CZ-CA 3.45Å; F216-S240 PolarHBondContact O-N 2.73Å; F216-S240 VanDerWaalsContact O-N 3.13Å | ||
| 217 | K | 89.3 | Confident | 82.6 | Confident | 128 Ų | 128 | 106.1 Ų | 106.1 | 56% | 0.557 | 57% | 0.565 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -143.4 | 102.3 | 174.1 | -172.1 | 165.9 | -173 | 163.5 | 0 | 107 | V237 V238 | K217-V237 HydrophobicContact CD-CG1 4.11Å; K217-V237 HydrophobicContact CG-CG1 3.92Å; K217-V238 CarbonylContact C-O 3.57Å; K217-V238 WeakPolarHBondContact CA-O 3.47Å |
| 218 | S | 89.4 | Confident | 83.7 | Confident | 64 Ų | 64 | 106.1 Ų | 106.1 | 45% | 0.448 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.7 | 145.8 | 177.3 | 73 | 0 | 0 | 0 | 0 | 109.7 | V237 V238 | S218-V237 WeakPolarHBondContact O-CA 3.43Å; S218-V238 PolarHBondContact N-O 3.15Å; S218-V238 PolarHBondContact O-N 3.31Å; S218-V238 WeakPolarHBondContact OG-CB 3.23Å |
| 219 | I | 94 | Very high | 84.4 | Confident | 94 Ų | 94 | 101.4 Ų | 101.4 | 48% | 0.482 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 122 | -179.8 | -52 | 178.5 | 0 | 0 | 0 | 107.3 | V221 R235 T236 V237 | I219-V221 HydrophobicContact CG2-CG2 4.14Å; I219-R235 HydrophobicContact CG2-CG 4.11Å; I219-T236 CarbonylContact C-O 3.54Å; I219-T236 WeakPolarHBondContact CA-O 3.02Å; I219-V237 HydrophobicContact CG1-CG2 4.39Å; I219-V237 HydrophobicContact CG2-CG2 4.31Å |
| 220 | S | 89.9 | Confident | 85.1 | Confident | 59 Ų | 59 | 95.9 Ų | 95.9 | 41% | 0.413 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 139.2 | 168.1 | 55.2 | 0 | 0 | 0 | 0 | 109.5 | R235 T236 | S220-R235 CarbonylContact O-C 3.6Å; S220-R235 WeakPolarHBondContact O-CA 3.47Å; S220-T236 PolarHBondContact N-O 2.83Å; S220-T236 PolarHBondContact O-N 3.4Å; S220-T236 WeakPolarHBondContact OG-CB 3.36Å |
| 221 | V | 95.3 | Very high | 86.1 | Confident | 78 Ų | 78 | 91.4 Ų | 91.4 | 47% | 0.473 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 116 | 179.2 | -177.2 | 0 | 0 | 0 | 0 | 108.1 | I219 E233 R234 R235 | I219-V221 HydrophobicContact CG2-CG2 4.14Å; V221-E233 HydrophobicContact CG1-CG 3.57Å; V221-E233 WeakPolarHBondContact CG1-OE1 3.37Å; V221-R234 CarbonylContact C-O 3.57Å; V221-R234 WeakPolarHBondContact CA-O 3.39Å; V221-R235 HydrophobicContact CG2-CG 4.3Å |
| 222 | T | 94.1 | Very high | 87.1 | Confident | 77 Ų | 77 | 86.8 Ų | 86.8 | 47% | 0.472 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 108.1 | 179.9 | -55.8 | 0 | 0 | 0 | 0 | 108.8 | I224 R234 | T222-I224 HydrophobicContact CG2-CD1 4.42Å; T222-I224 HydrophobicContact CG2-CG1 4.08Å; T222-R234 PolarHBondContact N-O 3.21Å; T222-R234 PolarHBondContact O-N 3.27Å |
| 223 | K | 95.1 | Very high | 88.4 | Confident | 138 Ų | 138 | 83.5 Ų | 83.5 | 60% | 0.6 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 117.8 | 177.2 | -178.9 | 172 | 170.8 | 164.5 | 0 | 109.9 | V231 E232 | K223-V231 HydrophobicContact CD-CG1 4.09Å; K223-V231 HydrophobicContact CG-CG1 3.77Å; K223-E232 WeakPolarHBondContact CA-O 3.26Å |
| 224 | I | 93.5 | Very high | 89.7 | Confident | 68 Ų | 68 | 83.4 Ų | 83.4 | 35% | 0.349 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 115.1 | -179.8 | -53 | 176.7 | 0 | 0 | 0 | 108 | T222 E232 | T222-I224 HydrophobicContact CG2-CD1 4.42Å; T222-I224 HydrophobicContact CG2-CG1 4.08Å; I224-E232 PolarHBondContact N-O 3.27Å; I224-E232 PolarHBondContact O-N 3.23Å |
| 225 | T | 94.1 | Very high | 90.9 | Very high | 96 Ų | 96 | 86.4 Ų | 86.4 | 59% | 0.589 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 119 | 169.4 | -51.4 | 0 | 0 | 0 | 0 | 108.4 | V231 | T225-V231 HydrophobicContact CG2-CG2 4.32Å |
| 226 | K | 91.9 | Very high | 92.1 | Very high | 70 Ų | 70 | 79.1 Ų | 79.1 | 30% | 0.304 | 41% | 0.414 | S | S | . | . | trans | -84.2 | 160 | 177.4 | -77.3 | 174.7 | 167.5 | -178.7 | 0 | 111.2 | D228 G229 I230 E232 | K226-D228 WeakPolarHBondContact CB-OD1 3.37Å; K226-D228 PolarHBondContact O-N 3.36Å; K226-G229 PolarHBondContact O-N 3.47Å; K226-I230 WeakPolarHBondContact CB-O 3.49Å; K226-I230 PolarHBondContact N-O 2.91Å; K226-E232 VanDerWaalsContact CE-CD 3.4Å; K226-E232 WeakPolarHBondContact CE-OE1 3.42Å; K226-E232 WeakPolarHBondContact CE-OE2 3.39Å; K226-E232 IonicContact NZ-OE1 2.65Å; K226-E232 PolarHBondContact NZ-OE1 3.08Å; K226-E232 IonicContact NZ-OE2 3.33Å; K226-E232 PolarHBondContact NZ-OE2 3.14Å | ||
| 227 | P | 90.7 | Very high | 92.8 | Very high | 146 Ų | 146 | 73.6 Ų | 73.6 | 95% | 0.948 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -11.9 | 178.1 | 29.2 | -36.9 | 0 | 0 | 0 | 114 | G229 | P227-G229 PolarHBondContact O-N 2.78Š|
| 228 | D | 87.8 | Confident | 93 | Very high | 86 Ų | 86 | 69.4 Ų | 69.4 | 46% | 0.46 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 2.5 | 168.2 | 61.1 | 4.5 | 0 | 0 | 0 | 112.5 | K226 I230 R250 | K226-D228 WeakPolarHBondContact CB-OD1 3.37Å; K226-D228 PolarHBondContact O-N 3.36Å; D228-I230 HydrophobicContact CB-CD1 4.46Å; D228-I230 HydrophobicContact CB-CG1 4.45Å; D228-I230 PolarHBondContact O-N 2.82Å; D228-I230 VanDerWaalsContact OD1-CB 3.26Å; D228-I230 WeakPolarHBondContact OD1-CB 3.37Å; D228-I230 PolarHBondContact OD1-N 3.31Å; D228-R250 IonicContact OD2-NH2 3.49Å; D228-R250 PolarHBondContact OD2-NH2 2.96Å |
| 229 | G | 88.3 | Confident | 93.1 | Very high | 29 Ų | 29 | 67.2 Ų | 67.2 | 30% | 0.299 | 36% | 0.359 | S | S | . | . | S | Bend | trans | 81 | -5.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | K226 P227 A253 | K226-G229 PolarHBondContact O-N 3.47Å; P227-G229 PolarHBondContact O-N 2.78Å; G229-A253 WeakPolarHBondContact O-CB 3.1Å |
| 230 | I | 91.9 | Very high | 92.7 | Very high | 17 Ų | 17 | 64.6 Ų | 64.6 | 9% | 0.087 | 35% | 0.349 | C | S | . | . | trans | -87.2 | 131.3 | -171.3 | -57.6 | 174.4 | 0 | 0 | 0 | 110.4 | K226 D228 R250 E252 | K226-I230 WeakPolarHBondContact CB-O 3.49Å; K226-I230 PolarHBondContact N-O 2.91Å; D228-I230 HydrophobicContact CB-CD1 4.46Å; D228-I230 HydrophobicContact CB-CG1 4.45Å; D228-I230 PolarHBondContact O-N 2.82Å; D228-I230 VanDerWaalsContact OD1-CB 3.26Å; D228-I230 WeakPolarHBondContact OD1-CB 3.37Å; D228-I230 PolarHBondContact OD1-N 3.31Å; I230-R250 HydrophobicContact CG2-CG 3.36Å; I230-R250 VanDerWaalsContact CG2-NE 3.34Å; I230-E252 HydrophobicContact CG1-CB 4.46Å; I230-E252 HydrophobicContact CG1-CG 4.23Å | ||
| 231 | V | 92.9 | Very high | 92.5 | Very high | 22 Ų | 22 | 67.6 Ų | 67.6 | 13% | 0.133 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 121.8 | 179.6 | 173.3 | 0 | 0 | 0 | 0 | 109.4 | K223 T225 R250 H251 | K223-V231 HydrophobicContact CD-CG1 4.09Å; K223-V231 HydrophobicContact CG-CG1 3.77Å; T225-V231 HydrophobicContact CG2-CG2 4.32Å; V231-R250 CarbonylContact O-C 3.59Å; V231-R250 WeakPolarHBondContact O-CA 3.46Å; V231-H251 HydrophobicContact CB-CB 4.36Å; V231-H251 PolarHBondContact N-O 2.86Å; V231-H251 PolarHBondContact O-N 3.13Å |
| 232 | E | 94.2 | Very high | 91.9 | Very high | 27 Ų | 27 | 66.3 Ų | 66.3 | 13% | 0.126 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 112.5 | 168.7 | -70.7 | -176.9 | 171.6 | 0 | 0 | 109.9 | K223 I224 K226 T249 R250 | K223-E232 WeakPolarHBondContact CA-O 3.26Å; I224-E232 PolarHBondContact N-O 3.27Å; I224-E232 PolarHBondContact O-N 3.23Å; K226-E232 VanDerWaalsContact CE-CD 3.4Å; K226-E232 WeakPolarHBondContact CE-OE1 3.42Å; K226-E232 WeakPolarHBondContact CE-OE2 3.39Å; K226-E232 IonicContact NZ-OE1 2.65Å; K226-E232 PolarHBondContact NZ-OE1 3.08Å; K226-E232 IonicContact NZ-OE2 3.33Å; K226-E232 PolarHBondContact NZ-OE2 3.14Å; E232-T249 WeakPolarHBondContact CA-O 3.43Å; E232-R250 HydrophobicContact CG-CB 4.45Å; E232-R250 HydrophobicContact CG-CG 4Å; E232-R250 IonicContact OE1-NE 2.95Å; E232-R250 PolarHBondContact OE1-NE 2.84Å |
| 233 | E | 95.3 | Very high | 91.6 | Very high | 62 Ų | 62 | 69.3 Ų | 69.3 | 29% | 0.29 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 115.9 | 172.5 | -175 | 180 | 141.6 | 0 | 0 | 109.5 | V221 V248 T249 | V221-E233 HydrophobicContact CG1-CG 3.57Å; V221-E233 WeakPolarHBondContact CG1-OE1 3.37Å; E233-V248 WeakPolarHBondContact O-CA 3.46Å; E233-T249 PolarHBondContact N-O 2.81Å; E233-T249 PolarHBondContact O-N 3.29Å |
| 234 | R | 94.4 | Very high | 91.5 | Very high | 120 Ų | 120 | 66.9 Ų | 66.9 | 45% | 0.453 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 110.1 | 175.2 | -61 | -179 | 168.5 | -173.9 | -5.2 | 108.9 | V221 T222 T247 V248 | V221-R234 CarbonylContact C-O 3.57Å; V221-R234 WeakPolarHBondContact CA-O 3.39Å; T222-R234 PolarHBondContact N-O 3.21Å; T222-R234 PolarHBondContact O-N 3.27Å; R234-T247 CarbonylContact C-O 3.55Å; R234-T247 WeakPolarHBondContact CA-O 3.37Å; R234-V248 HydrophobicContact CG-CG1 4.12Å; R234-V248 HydrophobicContact CG-CG2 4.08Å |
| 235 | R | 95.4 | Very high | 91.5 | Very high | 123 Ų | 123 | 69.5 Ų | 69.5 | 46% | 0.464 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 110.9 | 173.4 | 179.5 | 179.9 | -179.8 | -173.3 | 0.9 | 108.9 | I219 S220 V221 V237 T246 T247 | I219-R235 HydrophobicContact CG2-CG 4.11Å; S220-R235 CarbonylContact O-C 3.6Å; S220-R235 WeakPolarHBondContact O-CA 3.47Å; V221-R235 HydrophobicContact CG2-CG 4.3Å; R235-V237 HydrophobicContact CG-CG2 4.17Å; R235-T246 WeakPolarHBondContact O-CA 3.39Å; R235-T247 PolarHBondContact N-O 2.32Å; R235-T247 PolarHBondContact O-N 3.39Å |
| 236 | T | 95.6 | Very high | 91.5 | Very high | 31 Ų | 31 | 68.9 Ų | 68.9 | 19% | 0.19 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 140.1 | 172.5 | -62.5 | 0 | 0 | 0 | 0 | 109.6 | I219 S220 V238 T244 E245 T246 | I219-T236 CarbonylContact C-O 3.54Å; I219-T236 WeakPolarHBondContact CA-O 3.02Å; S220-T236 PolarHBondContact N-O 2.83Å; S220-T236 PolarHBondContact O-N 3.4Å; S220-T236 WeakPolarHBondContact OG-CB 3.36Å; T236-V238 HydrophobicContact CG2-CG2 4.39Å; T236-T244 HydrophobicContact CG2-CG2 3.57Å; T236-E245 CarbonylContact C-O 3.6Å; T236-E245 WeakPolarHBondContact CA-O 3.47Å; T236-T246 WeakPolarHBondContact CG2-OG1 3.35Å; T236-T246 WeakPolarHBondContact OG1-CG2 3.4Å; T236-T246 PolarHBondContact OG1-OG1 2.91Å |
| 237 | V | 95.3 | Very high | 91.6 | Very high | 11 Ų | 11 | 69.4 Ų | 69.4 | 7% | 0.067 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 118.5 | -171.3 | 169.8 | 0 | 0 | 0 | 0 | 107.1 | K217 S218 I219 R235 T244 E245 | K217-V237 HydrophobicContact CD-CG1 4.11Å; K217-V237 HydrophobicContact CG-CG1 3.92Å; S218-V237 WeakPolarHBondContact O-CA 3.43Å; I219-V237 HydrophobicContact CG1-CG2 4.39Å; I219-V237 HydrophobicContact CG2-CG2 4.31Å; R235-V237 HydrophobicContact CG-CG2 4.17Å; V237-T244 CarbonylContact O-C 3.5Å; V237-T244 WeakPolarHBondContact O-CA 2.93Å; V237-E245 HydrophobicContact CB-CB 4.3Å; V237-E245 PolarHBondContact N-O 2.87Å; V237-E245 PolarHBondContact O-N 2.84Å |
| 238 | V | 94.9 | Very high | 91.8 | Very high | 39 Ų | 39 | 66.3 Ų | 66.3 | 24% | 0.236 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 124.2 | 177.7 | -166.2 | 0 | 0 | 0 | 0 | 109 | K217 S218 T236 R243 T244 | K217-V238 CarbonylContact C-O 3.57Å; K217-V238 WeakPolarHBondContact CA-O 3.47Å; S218-V238 PolarHBondContact N-O 3.15Å; S218-V238 PolarHBondContact O-N 3.31Å; S218-V238 WeakPolarHBondContact OG-CB 3.23Å; T236-V238 HydrophobicContact CG2-CG2 4.39Å; V238-R243 WeakPolarHBondContact CA-O 3.49Å; V238-T244 HydrophobicContact CG2-CG2 4.15Å |
| 239 | D | 91 | Very high | 92 | Very high | 19 Ų | 19 | 64.5 Ų | 64.5 | 10% | 0.102 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -178.8 | 178 | 77.9 | 2.5 | 0 | 0 | 0 | 113 | E241 G242 R243 | D239-E241 PolarHBondContact O-N 2.74Å; D239-E241 WeakPolarHBondContact OD1-CA 3.49Å; D239-E241 WeakPolarHBondContact OD1-CB 3.46Å; D239-E241 PolarHBondContact OD1-N 3.05Å; D239-G242 PolarHBondContact O-N 2.84Å; D239-G242 PolarHBondContact OD1-N 2.8Å; D239-R243 PolarHBondContact N-O 2.93Å; D239-R243 WeakPolarHBondContact OD1-CB 3.41Å; D239-R243 PolarHBondContact OD1-N 2.97Å; D239-R243 IonicContact OD2-CZ 2.94Å; D239-R243 IonicContact OD2-NE 3.23Å; D239-R243 PolarHBondContact OD2-NE 3.04Å; D239-R243 IonicContact OD2-NH2 3.66Å; D239-R243 PolarHBondContact OD2-NH2 2.85Å |
| 240 | S | 84.8 | Confident | 92.1 | Very high | 38 Ų | 38 | 69.9 Ų | 69.9 | 27% | 0.266 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -10.8 | -179.4 | 64.2 | 0 | 0 | 0 | 0 | 115.2 | S214 F216 | S214-S240 VanDerWaalsContact CA-OG 3.26Å; S214-S240 WeakPolarHBondContact CA-OG 3.44Å; S214-S240 WeakPolarHBondContact CB-OG 3.41Å; S214-S240 PolarHBondContact OG-OG 3.06Å; S214-S240 VanDerWaalsContact OG-OG 3.08Å; F216-S240 VanDerWaalsContact CD1-CB 3.47Å; F216-S240 VanDerWaalsContact CE1-CB 3.44Å; F216-S240 VanDerWaalsContact CZ-CA 3.45Å; F216-S240 PolarHBondContact O-N 2.73Å; F216-S240 VanDerWaalsContact O-N 3.13Å |
| 241 | E | 85.8 | Confident | 91.8 | Very high | 123 Ų | 123 | 74.8 Ų | 74.8 | 58% | 0.575 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | 0 | 176.3 | -65.4 | 167.3 | -137.1 | 0 | 0 | 111.2 | D239 R243 | D239-E241 PolarHBondContact O-N 2.74Å; D239-E241 WeakPolarHBondContact OD1-CA 3.49Å; D239-E241 WeakPolarHBondContact OD1-CB 3.46Å; D239-E241 PolarHBondContact OD1-N 3.05Å; E241-R243 VanDerWaalsContact C-N 3.3Å; E241-R243 HydrophobicContact CB-CG 4.42Å; E241-R243 IonicContact OE1-CZ 3.06Å; E241-R243 IonicContact OE1-NH2 3.16Å; E241-R243 PolarHBondContact OE1-NH2 2.62Å; E241-R243 IonicContact OE2-CZ 2.67Å; E241-R243 IonicContact OE2-NE 2.74Å; E241-R243 IonicContact OE2-NH1 2.73Å; E241-R243 PolarHBondContact OE2-NH1 2.94Å; E241-R243 IonicContact OE2-NH2 2.7Å; E241-R243 PolarHBondContact OE2-NH2 3.1Å |
| 242 | G | 84.1 | Confident | 91.3 | Very high | 51 Ų | 51 | 80.4 Ų | 80.4 | 53% | 0.526 | 40% | 0.403 | S | S | . | . | trans | 80.9 | 4.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | D239 T244 | D239-G242 PolarHBondContact O-N 2.84Å; D239-G242 PolarHBondContact OD1-N 2.8Å; G242-T244 PolarHBondContact O-N 3.4Å; G242-T244 PolarHBondContact O-OG1 2.89Å | ||
| 243 | R | 87.6 | Confident | 89.9 | Confident | 140 Ų | 140 | 82.9 Ų | 82.9 | 53% | 0.528 | 43% | 0.428 | S | S | . | . | trans | -68.5 | 130.6 | 175 | -60.4 | -177 | -65.5 | -136.8 | -16.4 | 108.7 | V238 D239 E241 | V238-R243 WeakPolarHBondContact CA-O 3.49Å; D239-R243 PolarHBondContact N-O 2.93Å; D239-R243 WeakPolarHBondContact OD1-CB 3.41Å; D239-R243 PolarHBondContact OD1-N 2.97Å; D239-R243 IonicContact OD2-CZ 2.94Å; D239-R243 IonicContact OD2-NE 3.23Å; D239-R243 PolarHBondContact OD2-NE 3.04Å; D239-R243 IonicContact OD2-NH2 3.66Å; D239-R243 PolarHBondContact OD2-NH2 2.85Å; E241-R243 VanDerWaalsContact C-N 3.3Å; E241-R243 HydrophobicContact CB-CG 4.42Å; E241-R243 IonicContact OE1-CZ 3.06Å; E241-R243 IonicContact OE1-NH2 3.16Å; E241-R243 PolarHBondContact OE1-NH2 2.62Å; E241-R243 IonicContact OE2-CZ 2.67Å; E241-R243 IonicContact OE2-NE 2.74Å; E241-R243 IonicContact OE2-NH1 2.73Å; E241-R243 PolarHBondContact OE2-NH1 2.94Å; E241-R243 IonicContact OE2-NH2 2.7Å; E241-R243 PolarHBondContact OE2-NH2 3.1Å | ||
| 244 | T | 92.5 | Very high | 87.7 | Confident | 87 Ų | 87 | 87.5 Ų | 87.5 | 53% | 0.534 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 113.4 | -174.9 | -61.1 | 0 | 0 | 0 | 0 | 110.1 | T236 V237 V238 G242 | T236-T244 HydrophobicContact CG2-CG2 3.57Å; V237-T244 CarbonylContact O-C 3.5Å; V237-T244 WeakPolarHBondContact O-CA 2.93Å; V238-T244 HydrophobicContact CG2-CG2 4.15Å; G242-T244 PolarHBondContact O-N 3.4Å; G242-T244 PolarHBondContact O-OG1 2.89Å |
| 245 | E | 93.5 | Very high | 85.3 | Confident | 123 Ų | 123 | 87 Ų | 87 | 58% | 0.575 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 134.9 | 171.7 | -62.9 | 177.2 | 152.3 | 0 | 0 | 108.9 | T236 V237 | T236-E245 CarbonylContact C-O 3.6Å; T236-E245 WeakPolarHBondContact CA-O 3.47Å; V237-E245 HydrophobicContact CB-CB 4.3Å; V237-E245 PolarHBondContact N-O 2.87Å; V237-E245 PolarHBondContact O-N 2.84Å |
| 246 | T | 93.9 | Very high | 83 | Confident | 82 Ų | 82 | 86 Ų | 86 | 50% | 0.503 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 121.5 | 173.3 | -63.8 | 0 | 0 | 0 | 0 | 110.7 | R235 T236 V248 | R235-T246 WeakPolarHBondContact O-CA 3.39Å; T236-T246 WeakPolarHBondContact CG2-OG1 3.35Å; T236-T246 WeakPolarHBondContact OG1-CG2 3.4Å; T236-T246 PolarHBondContact OG1-OG1 2.91Å; T246-V248 HydrophobicContact CG2-CG2 4.35Å |
| 247 | T | 94.6 | Very high | 80.7 | Confident | 81 Ų | 81 | 90.8 Ų | 90.8 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 133.7 | 173.7 | -48.7 | 0 | 0 | 0 | 0 | 108.9 | R234 R235 T249 | R234-T247 CarbonylContact C-O 3.55Å; R234-T247 WeakPolarHBondContact CA-O 3.37Å; R235-T247 PolarHBondContact N-O 2.32Å; R235-T247 PolarHBondContact O-N 3.39Å; T247-T249 HydrophobicContact CG2-CG2 4.45Å |
| 248 | V | 93.1 | Very high | 78.3 | Confident | 81 Ų | 81 | 102 Ų | 102 | 49% | 0.491 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 122.2 | 173.7 | -172.5 | 0 | 0 | 0 | 0 | 108.3 | E233 R234 T246 | E233-V248 WeakPolarHBondContact O-CA 3.46Å; R234-V248 HydrophobicContact CG-CG1 4.12Å; R234-V248 HydrophobicContact CG-CG2 4.08Å; T246-V248 HydrophobicContact CG2-CG2 4.35Å |
| 249 | T | 92.1 | Very high | 75.3 | Confident | 49 Ų | 49 | 103.8 Ų | 103.8 | 30% | 0.301 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.3 | 142.5 | 171.2 | 62 | 0 | 0 | 0 | 0 | 109.5 | E232 E233 T247 H251 | E232-T249 WeakPolarHBondContact CA-O 3.43Å; E233-T249 PolarHBondContact N-O 2.81Å; E233-T249 PolarHBondContact O-N 3.29Å; T247-T249 HydrophobicContact CG2-CG2 4.45Å; T249-H251 WeakPolarHBondContact CB-NE2 3.31Å; T249-H251 PolarHBondContact OG1-NE2 2.82Å |
| 250 | R | 90.3 | Very high | 72.8 | Confident | 142 Ų | 142 | 109.7 Ų | 109.7 | 54% | 0.536 | 61% | 0.607 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.7 | 122.5 | -178.3 | -170.1 | 174.7 | -169.4 | -134.9 | -3 | 108.1 | D228 I230 V231 E232 | D228-R250 IonicContact OD2-NH2 3.49Å; D228-R250 PolarHBondContact OD2-NH2 2.96Å; I230-R250 HydrophobicContact CG2-CG 3.36Å; I230-R250 VanDerWaalsContact CG2-NE 3.34Å; V231-R250 CarbonylContact O-C 3.59Å; V231-R250 WeakPolarHBondContact O-CA 3.46Å; E232-R250 HydrophobicContact CG-CB 4.45Å; E232-R250 HydrophobicContact CG-CG 4Å; E232-R250 IonicContact OE1-NE 2.95Å; E232-R250 PolarHBondContact OE1-NE 2.84Å |
| 251 | H | 85.9 | Confident | 71.1 | Confident | 119 Ų | 119 | 113.6 Ų | 113.6 | 55% | 0.551 | 63% | 0.631 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -123.5 | 121 | -177.1 | -56.1 | -83.1 | 0 | 0 | 0 | 108.9 | V231 T249 | V231-H251 HydrophobicContact CB-CB 4.36Å; V231-H251 PolarHBondContact N-O 2.86Å; V231-H251 PolarHBondContact O-N 3.13Å; T249-H251 WeakPolarHBondContact CB-NE2 3.31Å; T249-H251 PolarHBondContact OG1-NE2 2.82Å |
| 252 | E | 83.6 | Confident | 68.8 | Low | 141 Ų | 141 | 116.5 Ų | 116.5 | 66% | 0.659 | 65% | 0.645 | S | S | * | * | trans | -76.1 | 143.1 | 174.1 | -171.3 | 156.7 | -158 | 0 | 0 | 109.9 | I230 E254 | I230-E252 HydrophobicContact CG1-CB 4.46Å; I230-E252 HydrophobicContact CG1-CG 4.23Å; E252-E254 PolarHBondContact O-N 2.83Å | ||
| 253 | A | 65.2 | Low | 66.8 | Low | 78 Ų | 78 | 118.3 Ų | 118.3 | 65% | 0.645 | 65% | 0.65 | S | S | * | * | trans | -80.4 | 55.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113 | G229 | G229-A253 WeakPolarHBondContact O-CB 3.1Š| ||
| 254 | E | 48.8 | Very low | 64.7 | Low | 160 Ų | 160 | 117.3 Ų | 117.3 | 75% | 0.748 | 66% | 0.661 | S | S | * | * | trans | -109.4 | 115.6 | 169 | -68.7 | -153.6 | 145.7 | 0 | 0 | 111.9 | E252 | E252-E254 PolarHBondContact O-N 2.83Š| ||
| 255 | S | 43.8 | Very low | 62 | Low | 110 Ų | 110 | 124.8 Ų | 124.8 | 77% | 0.769 | 68% | 0.68 | S | S | * | * | trans | 50.8 | 123.2 | 158 | 57.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 256 | S | 46.7 | Very low | 59.4 | Low | 102 Ų | 102 | 123.4 Ų | 123.4 | 71% | 0.713 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -8.5 | 131.9 | 138.5 | -176.4 | 0 | 0 | 0 | 0 | 116.4 | R258 | S256-R258 PolarHBondContact O-N 2.85Š|
| 257 | P | 47.4 | Very low | 57 | Low | 131 Ų | 131 | 125.2 Ų | 125.2 | 85% | 0.851 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -66.8 | 99.9 | -173.9 | 28.2 | -35.3 | 0 | 0 | 0 | 112.5 | ||
| 258 | R | 44.6 | Very low | 54.6 | Low | 246 Ų | 246 | 125 Ų | 125 | 93% | 0.928 | 70% | 0.701 | S | S | * | * | trans | -142.1 | 101.5 | 161.7 | -104.1 | -169.8 | 177.6 | -161.7 | 0.3 | 109.7 | S256 | S256-R258 PolarHBondContact O-N 2.85Š| ||
| 259 | G | 32.8 | Very low | 52.5 | Low | 76 Ų | 76 | 127.6 Ų | 127.6 | 78% | 0.784 | 71% | 0.711 | S | S | * | * | trans | 112.2 | 97 | 171 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 260 | D | 37.9 | Very low | 50.3 | Low | 144 Ų | 144 | 131.4 Ų | 131.4 | 77% | 0.77 | 73% | 0.73 | S | S | * | * | trans | -56.2 | 148.6 | 137.2 | -120.1 | -46.5 | 0 | 0 | 0 | 108 | E262 | D260-E262 PolarHBondContact OD1-N 2.8Š| ||
| 261 | P | 49.5 | Very low | 48.5 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | -141.9 | 164.1 | 65.7 | 37.7 | -20.5 | 0 | 0 | 0 | 117.8 | |||||
| 262 | E | 36.1 | Very low | 46.8 | Very low | 185 Ų | 185 | 128.7 Ų | 128.7 | 86% | 0.864 | 74% | 0.738 | S | S | * | * | trans | 90.4 | 57.6 | 151.5 | -142.7 | 164.3 | -154.9 | 0 | 0 | 117.6 | D260 | D260-E262 PolarHBondContact OD1-N 2.8Š| ||
| 263 | S | 42.4 | Very low | 45.3 | Very low | 89 Ų | 89 | 129.2 Ų | 129.2 | 62% | 0.622 | 74% | 0.739 | S | S | * | * | trans | -66 | 138.5 | 159.9 | -178.7 | 0 | 0 | 0 | 0 | 112.7 | R265 | S263-R265 PolarHBondContact O-N 3.45Š| ||
| 264 | P | 43.2 | Very low | 44.8 | Very low | 119 Ų | 119 | 129.2 Ų | 129.2 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | trans | -64.8 | 132 | 165 | 28.7 | -33.2 | 0 | 0 | 0 | 110.5 | P266 | P264-P266 VanDerWaalsContact O-CD 3.31Å; P264-P266 WeakPolarHBondContact O-CD 3.34Å | ||
| 265 | R | 35.9 | Very low | 45.3 | Very low | 244 Ų | 244 | 126.6 Ų | 126.6 | 92% | 0.921 | 72% | 0.724 | S | S | * | * | trans | -50.8 | 111.7 | -170.2 | -170.7 | -178.6 | -159.6 | 150.1 | 5 | 114.5 | S263 | S263-R265 PolarHBondContact O-N 3.45Š| ||
| 266 | P | 40.2 | Very low | 46 | Very low | 93 Ų | 93 | 126.2 Ų | 126.2 | 60% | 0.604 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 159.7 | 165.2 | 32.1 | -33.8 | 0 | 0 | 0 | 111.1 | P264 | P264-P266 VanDerWaalsContact O-CD 3.31Å; P264-P266 WeakPolarHBondContact O-CD 3.34Å |
| 267 | P | 43.7 | Very low | 46.5 | Very low | 120 Ų | 120 | 127.1 Ų | 127.1 | 78% | 0.779 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 141.2 | 171.3 | 27.8 | -34.1 | 0 | 0 | 0 | 110.8 | L269 | P267-L269 PolarHBondContact O-N 3.42Š|
| 268 | A | 44.1 | Very low | 47.2 | Very low | 77 Ų | 77 | 127.4 Ų | 127.4 | 64% | 0.636 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 126.3 | -169 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 269 | L | 48.2 | Very low | 47.7 | Very low | 136 Ų | 136 | 123.1 Ų | 123.1 | 71% | 0.712 | 69% | 0.692 | S | S | * | * | trans | -127.7 | 55.1 | 168.7 | -75 | 175.3 | 0 | 0 | 0 | 108.9 | P267 D271 | P267-L269 PolarHBondContact O-N 3.42Å; L269-D271 VanDerWaalsContact C-N 3.27Å; L269-D271 PolarHBondContact O-N 2.86Å | ||
| 270 | D | 46.5 | Very low | 49 | Very low | 128 Ų | 128 | 124 Ų | 124 | 68% | 0.684 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -72.4 | -13.1 | -168 | -64.7 | -34.2 | 0 | 0 | 0 | 114.4 | ||
| 271 | D | 52.2 | Low | 49.7 | Very low | 143 Ų | 143 | 119 Ų | 119 | 77% | 0.765 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -82.2 | -32.5 | -176.8 | -102.4 | -12.2 | 0 | 0 | 0 | 114.4 | L269 F273 | L269-D271 VanDerWaalsContact C-N 3.27Å; L269-D271 PolarHBondContact O-N 2.86Å; D271-F273 PolarHBondContact O-N 3.41Å |
| 272 | A | 51 | Low | 50.1 | Low | 61 Ų | 61 | 123.9 Ų | 123.9 | 50% | 0.504 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -74.1 | -29.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 273 | F | 51.8 | Low | 50.8 | Low | 153 Ų | 153 | 125.4 Ų | 125.4 | 67% | 0.671 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -79.3 | -28.3 | -177.1 | -68.5 | -80.4 | 0 | 0 | 0 | 113.1 | D271 I275 L276 D277 | D271-F273 PolarHBondContact O-N 3.41Å; F273-I275 VanDerWaalsContact C-N 3.3Å; F273-I275 PolarHBondContact O-N 2.9Å; F273-L276 PolarHBondContact O-N 3.42Å; F273-D277 PolarHBondContact O-N 3Å |
| 274 | S | 53.5 | Low | 51.3 | Low | 78 Ų | 78 | 129.3 Ų | 129.3 | 55% | 0.545 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -62.3 | -35 | 178.4 | -68.5 | 0 | 0 | 0 | 0 | 113.1 | L278 | S274-L278 PolarHBondContact O-N 3.24Å |
| 275 | I | 59.3 | Low | 51.8 | Low | 104 Ų | 104 | 134.8 Ų | 134.8 | 53% | 0.533 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -69.1 | -45.1 | 179.4 | -67.2 | 167.7 | 0 | 0 | 0 | 110.7 | F273 D277 L278 F279 | F273-I275 VanDerWaalsContact C-N 3.3Å; F273-I275 PolarHBondContact O-N 2.9Å; I275-D277 PolarHBondContact O-N 2.87Å; I275-L278 WeakPolarHBondContact O-CB 3.41Å; I275-L278 PolarHBondContact O-N 2.8Å; I275-F279 HydrophobicContact CG2-CD2 3.92Å; I275-F279 HydrophobicContact CG2-CE2 3.86Å; I275-F279 VanDerWaalsContact O-CD2 3.3Å; I275-F279 WeakPolarHBondContact O-CD2 3.44Å; I275-F279 PolarHBondContact O-N 2.9Å |
| 276 | L | 59.2 | Low | 52.4 | Low | 103 Ų | 103 | 128.4 Ų | 128.4 | 54% | 0.539 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -65.7 | -40 | -177.5 | -64.6 | 176.3 | 0 | 0 | 0 | 111.9 | F273 L278 F279 L280 | F273-L276 PolarHBondContact O-N 3.42Å; L276-L278 VanDerWaalsContact C-N 3.33Å; L276-L278 PolarHBondContact O-N 2.82Å; L276-F279 PolarHBondContact O-N 2.87Å; L276-L280 WeakPolarHBondContact O-CB 3.21Å; L276-L280 WeakPolarHBondContact O-CG 2.92Å; L276-L280 PolarHBondContact O-N 2.82Å |
| 277 | D | 57.8 | Low | 52.6 | Low | 121 Ų | 121 | 139.4 Ų | 139.4 | 65% | 0.647 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -65.8 | -35.6 | 175.8 | -164.7 | 50.9 | 0 | 0 | 0 | 112.1 | F273 I275 F279 L280 G281 | F273-D277 PolarHBondContact O-N 3Å; I275-D277 PolarHBondContact O-N 2.87Å; D277-F279 VanDerWaalsContact C-N 3.34Å; D277-F279 PolarHBondContact O-N 3.23Å; D277-L280 PolarHBondContact O-N 3.21Å; D277-G281 WeakPolarHBondContact O-CA 3.26Å; D277-G281 PolarHBondContact O-N 3.46Å |
| 278 | L | 61.3 | Low | 53 | Low | 137 Ų | 137 | 140.4 Ų | 140.4 | 72% | 0.717 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -63.3 | -37.2 | 175.5 | -144.6 | 83.4 | 0 | 0 | 0 | 112.9 | S274 I275 L276 | S274-L278 PolarHBondContact O-N 3.24Å; I275-L278 WeakPolarHBondContact O-CB 3.41Å; I275-L278 PolarHBondContact O-N 2.8Å; L276-L278 VanDerWaalsContact C-N 3.33Å; L276-L278 PolarHBondContact O-N 2.82Å |
| 279 | F | 55 | Low | 53.5 | Low | 156 Ų | 156 | 143.7 Ų | 143.7 | 68% | 0.684 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -77.2 | -42.3 | 177 | -82.3 | -73.8 | 0 | 0 | 0 | 112.6 | I275 L276 D277 | I275-F279 HydrophobicContact CG2-CD2 3.92Å; I275-F279 HydrophobicContact CG2-CE2 3.86Å; I275-F279 VanDerWaalsContact O-CD2 3.3Å; I275-F279 WeakPolarHBondContact O-CD2 3.44Å; I275-F279 PolarHBondContact O-N 2.9Å; L276-F279 PolarHBondContact O-N 2.87Å; D277-F279 VanDerWaalsContact C-N 3.34Å; D277-F279 PolarHBondContact O-N 3.23Å |
| 280 | L | 60.9 | Low | 53.8 | Low | 94 Ų | 94 | 144.2 Ų | 144.2 | 49% | 0.492 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -79.2 | -42.4 | -176 | -70.8 | 162.3 | 0 | 0 | 0 | 112.3 | L276 D277 R282 W283 F284 | L276-L280 WeakPolarHBondContact O-CB 3.21Å; L276-L280 WeakPolarHBondContact O-CG 2.92Å; L276-L280 PolarHBondContact O-N 2.82Å; D277-L280 PolarHBondContact O-N 3.21Å; L280-R282 PolarHBondContact O-N 3.38Å; L280-W283 PolarHBondContact O-N 3.33Å; L280-F284 WeakPolarHBondContact O-CD2 3.38Å; L280-F284 PolarHBondContact O-N 3.49Å |
| 281 | G | 52.8 | Low | 54.2 | Low | 38 Ų | 38 | 145.1 Ų | 145.1 | 39% | 0.392 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -61.3 | -28.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D277 | D277-G281 WeakPolarHBondContact O-CA 3.26Å; D277-G281 PolarHBondContact O-N 3.46Å |
| 282 | R | 56.6 | Low | 54.3 | Low | 222 Ų | 222 | 145.3 Ų | 145.3 | 84% | 0.838 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -75.3 | -23.4 | 175.9 | -168.8 | 170.8 | 179.1 | 176.6 | -0.8 | 113.6 | L280 | L280-R282 PolarHBondContact O-N 3.38Å |
| 283 | W | 51.2 | Low | 54.5 | Low | 217 Ų | 217 | 150.9 Ų | 150.9 | 82% | 0.822 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -83.7 | -34 | -178.6 | -147.9 | -24.3 | 0 | 0 | 0 | 112.3 | L280 | L280-W283 PolarHBondContact O-N 3.33Å |
| 284 | F | 53.4 | Low | 54.7 | Low | 172 Ų | 172 | 150.7 Ų | 150.7 | 75% | 0.754 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -87.1 | -5.3 | -175.8 | -71 | -74.8 | 0 | 0 | 0 | 115.5 | L280 S286 | L280-F284 WeakPolarHBondContact O-CD2 3.38Å; L280-F284 PolarHBondContact O-N 3.49Å; F284-S286 PolarHBondContact O-N 2.65Å |
| 285 | R | 52.4 | Low | 54.8 | Low | 234 Ų | 234 | 156.3 Ų | 156.3 | 88% | 0.883 | 72% | 0.715 | S | S | * | * | trans | -96.1 | 68 | 171.3 | -83.1 | -169.1 | 176.7 | -134.2 | 3 | 112.9 | ||||
| 286 | S | 49.3 | Very low | 54.5 | Low | 110 Ų | 110 | 160.7 Ų | 160.7 | 77% | 0.769 | 73% | 0.73 | S | S | * | * | trans | -149.7 | 81.7 | 157.5 | -163.5 | 0 | 0 | 0 | 0 | 111.5 | F284 | F284-S286 PolarHBondContact O-N 2.65Š| ||
| 287 | R | 43.7 | Very low | 54 | Low | 324 Ų | 324 | 165.9 Ų | 165.9 | 100% | 1.223 | 75% | 0.747 | S | S | * | * | trans | -166 | 0 | 155.2 | -105.5 | 171 | -161.7 | -129.6 | 3.4 | 108.9 |
Retrieved 287 of 287 residues in 73.7 ms
(Link to these results)