| 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 | 37.7 | Very low | 40.2 | Very low | 228 Ų | 228 | 148.4 Ų | 148.4 | 100% | 1.123 | 83% | 0.826 | S | S | * | * | 0 | 139.1 | 0 | -84.9 | 159.3 | 51.7 | 0 | 0 | 107.4 | |||||
| 2 | V | 36.1 | Very low | 39.6 | Very low | 138 Ų | 138 | 146.7 Ų | 146.7 | 84% | 0.836 | 82% | 0.822 | S | S | * | * | trans | 66.2 | 131 | 174 | -177.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 3 | S | 43.4 | Very low | 39.4 | Very low | 109 Ų | 109 | 147.8 Ų | 147.8 | 76% | 0.762 | 83% | 0.825 | S | S | * | * | cis | -154.6 | 179.9 | -14.5 | -113.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 4 | K | 49.6 | Very low | 39.3 | Very low | 175 Ų | 175 | 145.2 Ų | 145.2 | 76% | 0.761 | 82% | 0.822 | S | S | * | * | trans | -52.6 | 159.8 | 154.2 | -71.7 | -179 | 172.5 | -176.9 | 0 | 110.8 | ||||
| 5 | E | 45.5 | Very low | 39 | Very low | 173 Ų | 173 | 148.1 Ų | 148.1 | 81% | 0.808 | 83% | 0.826 | S | S | * | * | -150.8 | 168.5 | 64.1 | -145.5 | 59.9 | -131.3 | 0 | 0 | 113 | |||||
| 6 | G | 41.7 | Very low | 38.9 | Very low | 68 Ų | 68 | 145.9 Ų | 145.9 | 70% | 0.701 | 82% | 0.824 | S | S | * | * | trans | -138.6 | 144.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 7 | S | 35.3 | Very low | 38.6 | Very low | 128 Ų | 128 | 146.5 Ų | 146.5 | 90% | 0.895 | 82% | 0.824 | S | S | * | * | trans | -140.1 | 155.9 | 177.1 | 57.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 8 | K | 44.1 | Very low | 38.7 | Very low | 180 Ų | 180 | 143.8 Ų | 143.8 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | trans | -123.5 | 128.1 | -164.9 | 167.1 | -169 | 172.2 | -173.9 | 0 | 109.6 | ||||
| 9 | C | 32.7 | Very low | 38.4 | Very low | 127 Ų | 127 | 146.3 Ų | 146.3 | 86% | 0.858 | 82% | 0.821 | S | S | * | * | trans | -122.5 | 145.6 | 165.6 | -66.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 10 | M | 39.3 | Very low | 38.4 | Very low | 148 Ų | 148 | 143.1 Ų | 143.1 | 73% | 0.729 | 81% | 0.813 | S | S | * | * | trans | -140.9 | -170 | 177.2 | -71.4 | -102.3 | 68.3 | 0 | 0 | 107.5 | ||||
| 11 | L | 36.4 | Very low | 39.1 | Very low | 158 Ų | 158 | 142 Ų | 142 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | trans | 82.4 | 142.3 | 175.9 | -47.9 | 175.5 | 0 | 0 | 0 | 114.3 | ||||
| 12 | T | 34 | Very low | 39.5 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | cis | -159 | 171.4 | -22.2 | 9.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 13 | N | 36.3 | Very low | 39.5 | Very low | 161 Ų | 161 | 137.6 Ų | 137.6 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | -95.3 | 156.2 | 175.5 | -59.1 | -33.4 | 0 | 0 | 0 | 113.4 | ||||
| 14 | S | 38.3 | Very low | 39.8 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | -145.7 | 127.5 | 159.1 | -65.6 | 0 | 0 | 0 | 0 | 106 | ||||
| 15 | E | 35.1 | Very low | 38.9 | Very low | 189 Ų | 189 | 134.4 Ų | 134.4 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | 75.6 | 138.5 | 79 | -162.7 | -179.8 | 111.2 | 0 | 0 | 113.5 | |||||
| 16 | S | 37.4 | Very low | 38.6 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | cis | 159.1 | 111.4 | -45.9 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 17 | D | 33.8 | Very low | 38.5 | Very low | 156 Ų | 156 | 133.7 Ų | 133.7 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | -160.3 | -177.5 | 158.4 | -148 | -11.8 | 0 | 0 | 0 | 113.8 | ||||
| 18 | S | 40 | Very low | 39.1 | Very low | 99 Ų | 99 | 135.7 Ų | 135.7 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | trans | -82.4 | -177.4 | -161.2 | -51.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 19 | E | 33.1 | Very low | 39.1 | Very low | 191 Ų | 191 | 132 Ų | 132 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | cis | -153.7 | -170.2 | 20.2 | -153.8 | 177.9 | 109.3 | 0 | 0 | 111 | ||||
| 20 | A | 37.8 | Very low | 39.7 | Very low | 81 Ų | 81 | 133.2 Ų | 133.2 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | trans | -150.6 | 170.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 21 | P | 53.6 | Low | 40 | Very low | 120 Ų | 120 | 134.2 Ų | 134.2 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | cis | -129.4 | -145.7 | 15 | 42.5 | -20.9 | 0 | 0 | 0 | 111.2 | ||||
| 22 | P | 47 | Very low | 40.2 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 75% | 0.747 | 80% | 0.796 | S | S | * | * | cis | -132.1 | -103.7 | -7.7 | 36.8 | -12.9 | 0 | 0 | 0 | 116.3 | ||||
| 23 | L | 35.8 | Very low | 40.8 | Very low | 160 Ų | 160 | 137.1 Ų | 137.1 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | -155.5 | 171.9 | -159.5 | -63.4 | 177.4 | 0 | 0 | 0 | 110.3 | ||||
| 24 | P | 48.1 | Very low | 41.2 | Very low | 107 Ų | 107 | 133.8 Ų | 133.8 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | cis | -133.3 | 177.7 | 1.6 | 40.6 | -23.9 | 0 | 0 | 0 | 116.7 | ||||
| 25 | S | 32.7 | Very low | 41.3 | Very low | 109 Ų | 109 | 134.8 Ų | 134.8 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | 79.4 | 152.8 | 165.4 | -25.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 26 | T | 37.9 | Very low | 41.8 | Very low | 125 Ų | 125 | 130 Ų | 130 | 77% | 0.767 | 76% | 0.764 | S | S | * | * | cis | -136.2 | 139.1 | 6.6 | 43.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 27 | S | 40.5 | Very low | 42.1 | Very low | 101 Ų | 101 | 128 Ų | 128 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | trans | 27.8 | 147.5 | 142.7 | 69.2 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 28 | L | 46.8 | Very low | 42.8 | Very low | 171 Ų | 171 | 128.1 Ų | 128.1 | 90% | 0.895 | 74% | 0.739 | S | S | * | * | trans | 82.4 | 72.3 | 154.3 | -65.5 | 167.5 | 0 | 0 | 0 | 120.1 | ||||
| 29 | A | 43.5 | Very low | 43.3 | Very low | 102 Ų | 102 | 131.8 Ų | 131.8 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -157.9 | 30.8 | 157.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 30 | L | 46.3 | Very low | 44.1 | Very low | 153 Ų | 153 | 127.3 Ų | 127.3 | 80% | 0.801 | 73% | 0.731 | S | S | * | * | trans | -148.4 | 43.6 | -171.6 | -138.5 | 141 | 0 | 0 | 0 | 117 | ||||
| 31 | E | 45.7 | Very low | 44.8 | Very low | 168 Ų | 168 | 134.6 Ų | 134.6 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -129.1 | 54.6 | 175 | -88.6 | -63.7 | 176.5 | 0 | 0 | 114 | ||
| 32 | Y | 40.9 | Very low | 45 | Very low | 231 Ų | 231 | 138.3 Ų | 138.3 | 91% | 0.906 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -151 | 28.6 | 165 | -153.5 | -106.7 | 0 | 0 | 0 | 115.4 | ||
| 33 | S | 47.2 | Very low | 45.3 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 81% | 0.811 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -147.1 | 26.7 | 179.5 | -149.2 | 0 | 0 | 0 | 0 | 116.1 | ||
| 34 | L | 44.4 | Very low | 46.3 | Very low | 92 Ų | 92 | 139.7 Ų | 139.7 | 48% | 0.482 | 73% | 0.731 | S | S | . | * | S | Bend | trans | -111.4 | -34 | 172.2 | -91.6 | 169.1 | 0 | 0 | 0 | 114.4 | A36 S37 | L34-A36 PolarHBondContact O-N 3.42Å; L34-S37 PolarHBondContact O-N 3.21Å; L34-S37 PolarHBondContact O-OG 3.42Å |
| 35 | E | 40.9 | Very low | 46.5 | Very low | 132 Ų | 132 | 143.2 Ų | 143.2 | 62% | 0.617 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -74.1 | -31.2 | -169 | -156.6 | 50.1 | -139.4 | 0 | 0 | 114.1 | S37 R38 | E35-S37 PolarHBondContact O-N 3.13Å; E35-S37 VanDerWaalsContact O-N 3.15Å; E35-R38 PolarHBondContact O-N 2.75Å; E35-R38 VanDerWaalsContact OE2-CD 3.3Å; E35-R38 WeakPolarHBondContact OE2-CD 3.46Å; E35-R38 IonicContact OE2-NE 3.41Å; E35-R38 PolarHBondContact OE2-NE 3.27Å |
| 36 | A | 44.1 | Very low | 47.5 | Very low | 90 Ų | 90 | 141.1 Ų | 141.1 | 74% | 0.744 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -59.9 | -25.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L34 | L34-A36 PolarHBondContact O-N 3.42Å |
| 37 | S | 43.4 | Very low | 48.2 | Very low | 69 Ų | 69 | 140 Ų | 140 | 48% | 0.483 | 71% | 0.714 | S | S | . | * | H | α-helix | trans | -79.7 | -27.7 | -178.7 | 77.3 | 0 | 0 | 0 | 0 | 113.6 | L34 E35 | L34-S37 PolarHBondContact O-N 3.21Å; L34-S37 PolarHBondContact O-OG 3.42Å; E35-S37 PolarHBondContact O-N 3.13Å; E35-S37 VanDerWaalsContact O-N 3.15Å |
| 38 | R | 49.8 | Very low | 48.8 | Very low | 158 Ų | 158 | 143.4 Ų | 143.4 | 60% | 0.596 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -71.8 | -36.1 | -172.3 | -64 | -169.6 | -173.7 | -93.9 | -1.3 | 112.3 | E35 | E35-R38 PolarHBondContact O-N 2.75Å; E35-R38 VanDerWaalsContact OE2-CD 3.3Å; E35-R38 WeakPolarHBondContact OE2-CD 3.46Å; E35-R38 IonicContact OE2-NE 3.41Å; E35-R38 PolarHBondContact OE2-NE 3.27Å |
| 39 | Q | 49.7 | Very low | 49.2 | Very low | 176 Ų | 176 | 139 Ų | 139 | 82% | 0.822 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -24.1 | -171 | -147.9 | 173.4 | 35 | 0 | 0 | 114.1 | ||
| 40 | V | 49.8 | Very low | 50 | Low | 98 Ų | 98 | 141.6 Ų | 141.6 | 59% | 0.594 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -26.5 | 179.6 | -175.4 | 0 | 0 | 0 | 0 | 112.2 | K42 | V40-K42 PolarHBondContact O-N 3.13Å; V40-K42 VanDerWaalsContact O-N 3.17Å |
| 41 | R | 52.7 | Low | 50.6 | Low | 234 Ų | 234 | 141.9 Ų | 141.9 | 88% | 0.883 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 7 | -171.5 | -138.3 | 174 | -170.4 | 173.7 | 3.1 | 115.2 | ||
| 42 | K | 58.1 | Low | 51.9 | Low | 198 Ų | 198 | 140.3 Ų | 140.3 | 86% | 0.861 | 67% | 0.672 | S | S | * | * | trans | -103.3 | 41 | -179.4 | -154.8 | 175.8 | -176.8 | 177.7 | 0 | 113.2 | V40 | V40-K42 PolarHBondContact O-N 3.13Å; V40-K42 VanDerWaalsContact O-N 3.17Å | ||
| 43 | R | 53.4 | Low | 53.2 | Low | 204 Ų | 204 | 133 Ų | 133 | 77% | 0.77 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -122.5 | 119.6 | 174.8 | -68.4 | -172.7 | 176 | 113.7 | -1 | 111.8 | ||
| 44 | N | 56 | Low | 54.3 | Low | 100 Ų | 100 | 131.7 Ų | 131.7 | 54% | 0.535 | 63% | 0.632 | S | S | . | * | trans | 59.3 | 62 | 161.4 | -142.7 | -25.2 | 0 | 0 | 0 | 119.1 | A46 L47 | N44-A46 PolarHBondContact O-N 3.19Å; N44-A46 VanDerWaalsContact O-N 3.12Å; N44-A46 PolarHBondContact OD1-N 3.21Å; N44-L47 HydrophobicContact CB-CD1 4.36Å; N44-L47 WeakPolarHBondContact ND2-CD1 3.27Å; N44-L47 PolarHBondContact O-N 3.19Å | ||
| 45 | K | 52.3 | Low | 55.5 | Low | 181 Ų | 181 | 130.8 Ų | 130.8 | 79% | 0.787 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -12.5 | 168.6 | -162.8 | 172.8 | -178.6 | -177.5 | 0 | 113.7 | ||
| 46 | A | 55.2 | Low | 57.2 | Low | 64 Ų | 64 | 129.4 Ų | 129.4 | 53% | 0.529 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.6 | -13.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | N44 | N44-A46 PolarHBondContact O-N 3.19Å; N44-A46 VanDerWaalsContact O-N 3.12Å; N44-A46 PolarHBondContact OD1-N 3.21Å |
| 47 | L | 51.5 | Low | 58.7 | Low | 102 Ų | 102 | 127.5 Ų | 127.5 | 53% | 0.534 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -91.4 | -30.2 | 175 | -71.6 | 174.3 | 0 | 0 | 0 | 113 | N44 V49 R50 | N44-L47 HydrophobicContact CB-CD1 4.36Å; N44-L47 WeakPolarHBondContact ND2-CD1 3.27Å; N44-L47 PolarHBondContact O-N 3.19Å; L47-V49 VanDerWaalsContact C-N 3.29Å; L47-V49 PolarHBondContact O-N 3.43Å; L47-R50 PolarHBondContact O-N 3.12Å |
| 48 | Q | 54.1 | Low | 60.1 | Low | 173 Ų | 173 | 130.2 Ų | 130.2 | 81% | 0.808 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -78.1 | -12.5 | -175.3 | -165.6 | 161.2 | 60.6 | 0 | 0 | 113.7 | ||
| 49 | V | 55.2 | Low | 61.2 | Low | 79 Ų | 79 | 126.8 Ų | 126.8 | 48% | 0.479 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -78.2 | -47 | 170.5 | -173 | 0 | 0 | 0 | 0 | 110.3 | L47 F51 K52 D53 | L47-V49 VanDerWaalsContact C-N 3.29Å; L47-V49 PolarHBondContact O-N 3.43Å; V49-F51 PolarHBondContact O-N 3.39Å; V49-K52 WeakPolarHBondContact O-CA 3.4Å; V49-K52 WeakPolarHBondContact O-CB 3.46Å; V49-K52 PolarHBondContact O-N 3.05Å; V49-D53 WeakPolarHBondContact CG1-OD1 3.43Å; V49-D53 PolarHBondContact O-N 2.63Å |
| 50 | R | 60.3 | Low | 62.5 | Low | 156 Ų | 156 | 124.5 Ų | 124.5 | 59% | 0.589 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -55.6 | -29.4 | -172.9 | -63.1 | -172.6 | -174.5 | -154.6 | -1.7 | 115.8 | L47 K52 D53 I54 | L47-R50 PolarHBondContact O-N 3.12Å; R50-K52 VanDerWaalsContact C-N 3.33Å; R50-D53 WeakPolarHBondContact CA-OD2 3.48Å; R50-D53 PolarHBondContact O-N 3.16Å; R50-I54 HydrophobicContact CB-CD1 4.49Å; R50-I54 WeakPolarHBondContact O-CB 3.36Å; R50-I54 WeakPolarHBondContact O-CD1 3.08Å; R50-I54 WeakPolarHBondContact O-CG1 3.39Å; R50-I54 PolarHBondContact O-N 3.41Å |
| 51 | F | 58.5 | Low | 63.4 | Low | 158 Ų | 158 | 125.6 Ų | 125.6 | 69% | 0.693 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -71.5 | -26.2 | 175.6 | -95.5 | -79.1 | 0 | 0 | 0 | 113.4 | V49 C55 | V49-F51 PolarHBondContact O-N 3.39Å; F51-C55 PolarHBondContact O-N 3.47Å; F51-C55 PolarHBondContact O-SG 3.13Å; F51-C55 VanDerWaalsContact O-SG 3.39Å |
| 52 | K | 73 | Confident | 64.3 | Low | 136 Ų | 136 | 122.4 Ų | 122.4 | 59% | 0.591 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69.3 | -56.7 | 167.6 | 173.4 | 54.3 | 61.4 | 172.7 | 0 | 108.7 | V49 R50 I54 C55 E56 | V49-K52 WeakPolarHBondContact O-CA 3.4Å; V49-K52 WeakPolarHBondContact O-CB 3.46Å; V49-K52 PolarHBondContact O-N 3.05Å; R50-K52 VanDerWaalsContact C-N 3.33Å; K52-I54 VanDerWaalsContact C-N 3.27Å; K52-I54 PolarHBondContact O-N 3.07Å; K52-C55 PolarHBondContact O-N 3.01Å; K52-E56 WeakPolarHBondContact CD-OE2 3.47Å; K52-E56 WeakPolarHBondContact CG-OE2 3.49Å; K52-E56 VanDerWaalsContact O-CB 3.28Å; K52-E56 WeakPolarHBondContact O-CB 3.33Å; K52-E56 PolarHBondContact O-N 3.33Å |
| 53 | D | 67.1 | Low | 64.9 | Low | 77 Ų | 77 | 117.6 Ų | 117.6 | 41% | 0.412 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -52.6 | -41.1 | -178.6 | -39.9 | -20.4 | 0 | 0 | 0 | 113 | V49 R50 A57 | V49-D53 WeakPolarHBondContact CG1-OD1 3.43Å; V49-D53 PolarHBondContact O-N 2.63Å; R50-D53 WeakPolarHBondContact CA-OD2 3.48Å; R50-D53 PolarHBondContact O-N 3.16Å; D53-A57 VanDerWaalsContact O-CB 3.28Å; D53-A57 WeakPolarHBondContact O-CB 3.44Å; D53-A57 PolarHBondContact O-N 3.23Å |
| 54 | I | 70.4 | Confident | 65.6 | Low | 89 Ų | 89 | 110.6 Ų | 110.6 | 46% | 0.456 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69.5 | -44.3 | 178.8 | -71.3 | 164.1 | 0 | 0 | 0 | 111.8 | R50 K52 E56 Q58 | R50-I54 HydrophobicContact CB-CD1 4.49Å; R50-I54 WeakPolarHBondContact O-CB 3.36Å; R50-I54 WeakPolarHBondContact O-CD1 3.08Å; R50-I54 WeakPolarHBondContact O-CG1 3.39Å; R50-I54 PolarHBondContact O-N 3.41Å; K52-I54 VanDerWaalsContact C-N 3.27Å; K52-I54 PolarHBondContact O-N 3.07Å; I54-E56 VanDerWaalsContact C-N 3.31Å; I54-Q58 WeakPolarHBondContact O-CB 3.49Å; I54-Q58 VanDerWaalsContact O-CG 3.29Å; I54-Q58 WeakPolarHBondContact O-CG 3.43Å; I54-Q58 PolarHBondContact O-N 3.43Å |
| 55 | C | 71.1 | Confident | 66.1 | Low | 73 Ų | 73 | 111.5 Ų | 111.5 | 49% | 0.493 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -70.2 | -31.4 | 177 | -70.8 | 0 | 0 | 0 | 0 | 112.1 | F51 K52 N59 | F51-C55 PolarHBondContact O-N 3.47Å; F51-C55 PolarHBondContact O-SG 3.13Å; F51-C55 VanDerWaalsContact O-SG 3.39Å; K52-C55 PolarHBondContact O-N 3.01Å; C55-N59 WeakPolarHBondContact O-CB 3.44Å; C55-N59 PolarHBondContact O-N 2.97Å |
| 56 | E | 76.3 | Confident | 66.7 | Low | 103 Ų | 103 | 108.4 Ų | 108.4 | 48% | 0.481 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -70 | -50.1 | 176.7 | -165.4 | 150.4 | -153.3 | 0 | 0 | 110.4 | K52 I54 Q58 N59 E60 | K52-E56 WeakPolarHBondContact CD-OE2 3.47Å; K52-E56 WeakPolarHBondContact CG-OE2 3.49Å; K52-E56 VanDerWaalsContact O-CB 3.28Å; K52-E56 WeakPolarHBondContact O-CB 3.33Å; K52-E56 PolarHBondContact O-N 3.33Å; I54-E56 VanDerWaalsContact C-N 3.31Å; E56-Q58 VanDerWaalsContact C-N 3.31Å; E56-Q58 PolarHBondContact O-N 3.48Å; E56-N59 CarbonylContact O-C 3.55Å; E56-N59 WeakPolarHBondContact O-CA 3.5Å; E56-N59 WeakPolarHBondContact O-CB 3.31Å; E56-N59 PolarHBondContact O-N 3.37Å; E56-E60 WeakPolarHBondContact O-CG 3.3Å; E56-E60 PolarHBondContact O-N 3.13Å |
| 57 | A | 74 | Confident | 66.9 | Low | 49 Ų | 49 | 111.1 Ų | 111.1 | 41% | 0.405 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.3 | -35.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D53 N59 Q61 | D53-A57 VanDerWaalsContact O-CB 3.28Å; D53-A57 WeakPolarHBondContact O-CB 3.44Å; D53-A57 PolarHBondContact O-N 3.23Å; A57-N59 VanDerWaalsContact C-N 3.32Å; A57-Q61 VanDerWaalsContact O-CB 3.32Å; A57-Q61 WeakPolarHBondContact O-CB 3.14Å; A57-Q61 PolarHBondContact O-N 2.77Å |
| 58 | Q | 73.3 | Confident | 67.3 | Low | 127 Ų | 127 | 109.6 Ų | 109.6 | 59% | 0.593 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -70.1 | -26.5 | 172.7 | -76.9 | -178.9 | -6.8 | 0 | 0 | 113.2 | I54 E56 R62 | I54-Q58 WeakPolarHBondContact O-CB 3.49Å; I54-Q58 VanDerWaalsContact O-CG 3.29Å; I54-Q58 WeakPolarHBondContact O-CG 3.43Å; I54-Q58 PolarHBondContact O-N 3.43Å; E56-Q58 VanDerWaalsContact C-N 3.31Å; E56-Q58 PolarHBondContact O-N 3.48Å; Q58-R62 WeakPolarHBondContact O-CB 3.32Å; Q58-R62 PolarHBondContact O-N 3.36Å |
| 59 | N | 73.6 | Confident | 67.5 | Low | 86 Ų | 86 | 105.3 Ų | 105.3 | 46% | 0.46 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -78 | -47.4 | 172.5 | -169.8 | 81.9 | 0 | 0 | 0 | 111 | C55 E56 A57 Q61 R62 E63 | C55-N59 WeakPolarHBondContact O-CB 3.44Å; C55-N59 PolarHBondContact O-N 2.97Å; E56-N59 CarbonylContact O-C 3.55Å; E56-N59 WeakPolarHBondContact O-CA 3.5Å; E56-N59 WeakPolarHBondContact O-CB 3.31Å; E56-N59 PolarHBondContact O-N 3.37Å; A57-N59 VanDerWaalsContact C-N 3.32Å; N59-Q61 VanDerWaalsContact C-N 3.32Å; N59-Q61 PolarHBondContact O-N 3.1Å; N59-R62 WeakPolarHBondContact O-CB 3.23Å; N59-R62 PolarHBondContact O-N 2.73Å; N59-E63 WeakPolarHBondContact O-CB 3.39Å; N59-E63 PolarHBondContact O-N 3.39Å |
| 60 | E | 75.8 | Confident | 67.5 | Low | 128 Ų | 128 | 104.7 Ų | 104.7 | 60% | 0.598 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -56.9 | -42.6 | 174.5 | -70.6 | -176.1 | 142.5 | 0 | 0 | 111.9 | E56 E63 A64 | E56-E60 WeakPolarHBondContact O-CG 3.3Å; E56-E60 PolarHBondContact O-N 3.13Å; E60-E63 PolarHBondContact O-N 3.19Å; E60-A64 VanDerWaalsContact O-CB 3.29Å; E60-A64 WeakPolarHBondContact O-CB 3.37Å; E60-A64 PolarHBondContact O-N 3.29Å |
| 61 | Q | 68.9 | Low | 67.2 | Low | 121 Ų | 121 | 105.5 Ų | 105.5 | 57% | 0.565 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.5 | -43.1 | 176.5 | -174.4 | 179.3 | -25.7 | 0 | 0 | 111.9 | A57 N59 E63 A64 E65 | A57-Q61 VanDerWaalsContact O-CB 3.32Å; A57-Q61 WeakPolarHBondContact O-CB 3.14Å; A57-Q61 PolarHBondContact O-N 2.77Å; N59-Q61 VanDerWaalsContact C-N 3.32Å; N59-Q61 PolarHBondContact O-N 3.1Å; Q61-E63 VanDerWaalsContact C-N 3.32Å; Q61-E63 PolarHBondContact O-N 3.3Å; Q61-A64 PolarHBondContact O-N 3.42Å; Q61-E65 PolarHBondContact NE2-OE1 3.48Å; Q61-E65 WeakPolarHBondContact O-CG 3.17Å; Q61-E65 PolarHBondContact O-N 3.07Å |
| 62 | R | 72.9 | Confident | 67 | Low | 167 Ų | 167 | 102.3 Ų | 102.3 | 63% | 0.63 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.7 | -41.7 | 174.2 | 179.2 | -167.8 | -60.7 | -108 | -1.9 | 111.3 | Q58 N59 E65 L66 | Q58-R62 WeakPolarHBondContact O-CB 3.32Å; Q58-R62 PolarHBondContact O-N 3.36Å; N59-R62 WeakPolarHBondContact O-CB 3.23Å; N59-R62 PolarHBondContact O-N 2.73Å; R62-E65 PolarHBondContact O-N 3.03Å; R62-L66 HydrophobicContact CG-CD1 4.21Å; R62-L66 VanDerWaalsContact O-CG 3.31Å; R62-L66 WeakPolarHBondContact O-CG 3.38Å; R62-L66 PolarHBondContact O-N 3.41Å |
| 63 | E | 69.8 | Low | 65.8 | Low | 97 Ų | 97 | 98.8 Ų | 98.8 | 45% | 0.453 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -70.1 | -38.4 | -179.7 | -158.1 | 179.5 | 139 | 0 | 0 | 111.4 | N59 E60 Q61 L66 Q67 | N59-E63 WeakPolarHBondContact O-CB 3.39Å; N59-E63 PolarHBondContact O-N 3.39Å; E60-E63 PolarHBondContact O-N 3.19Å; Q61-E63 VanDerWaalsContact C-N 3.32Å; Q61-E63 PolarHBondContact O-N 3.3Å; E63-L66 PolarHBondContact O-N 2.98Å; E63-Q67 WeakPolarHBondContact O-CB 3.23Å; E63-Q67 VanDerWaalsContact O-CG 3.3Å; E63-Q67 WeakPolarHBondContact O-CG 3.18Å; E63-Q67 PolarHBondContact O-N 2.79Å; E63-Q67 PolarHBondContact OE1-NE2 3.34Å |
| 64 | A | 68.7 | Low | 65.4 | Low | 57 Ų | 57 | 104.5 Ų | 104.5 | 47% | 0.471 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.3 | -40.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E60 Q61 Q67 A68 | E60-A64 VanDerWaalsContact O-CB 3.29Å; E60-A64 WeakPolarHBondContact O-CB 3.37Å; E60-A64 PolarHBondContact O-N 3.29Å; Q61-A64 PolarHBondContact O-N 3.42Å; A64-Q67 PolarHBondContact O-N 3.01Å; A64-A68 VanDerWaalsContact O-CB 3.27Å; A64-A68 WeakPolarHBondContact O-CB 3.31Å; A64-A68 PolarHBondContact O-N 2.96Å |
| 65 | E | 65.6 | Low | 64.3 | Low | 119 Ų | 119 | 106.4 Ų | 106.4 | 56% | 0.556 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -63.8 | -40.4 | 172.8 | -76.1 | 175.3 | -174.8 | 0 | 0 | 111.8 | Q61 R62 A68 A69 | Q61-E65 PolarHBondContact NE2-OE1 3.48Å; Q61-E65 WeakPolarHBondContact O-CG 3.17Å; Q61-E65 PolarHBondContact O-N 3.07Å; R62-E65 PolarHBondContact O-N 3.03Å; E65-A68 PolarHBondContact O-N 2.93Å; E65-A69 WeakPolarHBondContact O-CB 3.31Å; E65-A69 PolarHBondContact O-N 3.03Å |
| 66 | L | 64.6 | Low | 63.1 | Low | 115 Ų | 115 | 111.3 Ų | 111.3 | 60% | 0.602 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.2 | -40.4 | 174.8 | -71 | 168.7 | 0 | 0 | 0 | 112.6 | R62 E63 A68 A69 G70 | R62-L66 HydrophobicContact CG-CD1 4.21Å; R62-L66 VanDerWaalsContact O-CG 3.31Å; R62-L66 WeakPolarHBondContact O-CG 3.38Å; R62-L66 PolarHBondContact O-N 3.41Å; E63-L66 PolarHBondContact O-N 2.98Å; L66-A68 VanDerWaalsContact C-N 3.34Å; L66-A69 PolarHBondContact O-N 2.99Å; L66-G70 PolarHBondContact O-N 3.2Å |
| 67 | Q | 61.4 | Low | 61.8 | Low | 122 Ų | 122 | 111.7 Ų | 111.7 | 57% | 0.57 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -68.8 | -31.9 | 175.3 | -71.2 | -176 | 34.3 | 0 | 0 | 112 | E63 A64 | E63-Q67 WeakPolarHBondContact O-CB 3.23Å; E63-Q67 VanDerWaalsContact O-CG 3.3Å; E63-Q67 WeakPolarHBondContact O-CG 3.18Å; E63-Q67 PolarHBondContact O-N 2.79Å; E63-Q67 PolarHBondContact OE1-NE2 3.34Å; A64-Q67 PolarHBondContact O-N 3.01Å |
| 68 | A | 59.2 | Low | 60.3 | Low | 70 Ų | 70 | 118.7 Ų | 118.7 | 58% | 0.579 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -68.8 | -42.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A64 E65 L66 G70 K71 | A64-A68 VanDerWaalsContact O-CB 3.27Å; A64-A68 WeakPolarHBondContact O-CB 3.31Å; A64-A68 PolarHBondContact O-N 2.96Å; E65-A68 PolarHBondContact O-N 2.93Å; L66-A68 VanDerWaalsContact C-N 3.34Å; A68-G70 VanDerWaalsContact C-N 3.33Å; A68-G70 PolarHBondContact O-N 3.09Å; A68-K71 PolarHBondContact O-N 2.93Å |
| 69 | A | 58.1 | Low | 59 | Low | 82 Ų | 82 | 121.6 Ų | 121.6 | 68% | 0.678 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -67 | -31.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | E65 L66 K71 | E65-A69 WeakPolarHBondContact O-CB 3.31Å; E65-A69 PolarHBondContact O-N 3.03Å; L66-A69 PolarHBondContact O-N 2.99Å; A69-K71 VanDerWaalsContact C-N 3.29Å; A69-K71 PolarHBondContact O-N 2.9Å |
| 70 | G | 55.5 | Low | 57.4 | Low | 67 Ų | 67 | 122.6 Ų | 122.6 | 69% | 0.691 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -15.6 | 179 | 0 | 0 | 0 | 0 | 0 | 115.2 | L66 A68 | L66-G70 PolarHBondContact O-N 3.2Å; A68-G70 VanDerWaalsContact C-N 3.33Å; A68-G70 PolarHBondContact O-N 3.09Å |
| 71 | K | 53.7 | Low | 55.6 | Low | 173 Ų | 173 | 120.3 Ų | 120.3 | 75% | 0.752 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -100.6 | 107.1 | 173.2 | -68.9 | -174.7 | -175.2 | -121.7 | 0 | 109.4 | A68 A69 G73 | A68-K71 PolarHBondContact O-N 2.93Å; A69-K71 VanDerWaalsContact C-N 3.29Å; A69-K71 PolarHBondContact O-N 2.9Å; K71-G73 PolarHBondContact O-N 3.27Å |
| 72 | G | 55 | Low | 54 | Low | 91 Ų | 91 | 123.4 Ų | 123.4 | 94% | 0.938 | 69% | 0.691 | S | S | * | * | trans | -63.9 | 64.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 73 | G | 47.6 | Very low | 53 | Low | 62 Ų | 62 | 126 Ų | 126 | 64% | 0.639 | 70% | 0.701 | S | S | * | * | trans | -87.8 | 137.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | K71 | K71-G73 PolarHBondContact O-N 3.27Š| ||
| 74 | K | 58.9 | Low | 51.6 | Low | 196 Ų | 196 | 128.5 Ų | 128.5 | 85% | 0.852 | 71% | 0.71 | S | S | * | * | trans | -51.2 | 139.4 | 175.6 | -61.1 | 167.9 | -175.6 | 174.3 | 0 | 109.4 | M76 | K74-M76 PolarHBondContact O-N 2.82Š| ||
| 75 | P | 46.2 | Very low | 50.4 | Low | 129 Ų | 129 | 135.2 Ų | 135.2 | 84% | 0.838 | 73% | 0.725 | S | S | * | * | trans | -59.4 | 105.3 | 179.3 | 24.9 | -33.8 | 0 | 0 | 0 | 109 | S77 | P75-S77 PolarHBondContact O-N 3.4Å; P75-S77 VanDerWaalsContact O-N 3.07Å | ||
| 76 | M | 45.5 | Very low | 49 | Very low | 177 Ų | 177 | 136.3 Ų | 136.3 | 87% | 0.872 | 73% | 0.732 | S | S | * | * | trans | -60.8 | 118 | 172.6 | -130.1 | -172.8 | -176.9 | 0 | 0 | 105.5 | K74 Y78 | K74-M76 PolarHBondContact O-N 2.82Å; M76-Y78 PolarHBondContact O-N 3.32Å | ||
| 77 | S | 50.5 | Low | 48.4 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | trans | -70.7 | 79 | 177.5 | 59.5 | 0 | 0 | 0 | 0 | 108.1 | P75 K79 | P75-S77 PolarHBondContact O-N 3.4Å; P75-S77 VanDerWaalsContact O-N 3.07Å; S77-K79 PolarHBondContact O-N 2.94Å | ||
| 78 | Y | 40.5 | Very low | 47.6 | Very low | 196 Ų | 196 | 136.4 Ų | 136.4 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | trans | -62.9 | 96.8 | 174.1 | -153.8 | -93.5 | 0 | 0 | 0 | 105.5 | M76 V80 | M76-Y78 PolarHBondContact O-N 3.32Å; Y78-V80 HydrophobicContact CD1-CG2 4.01Å; Y78-V80 PolarHBondContact O-N 3.39Å | ||
| 79 | K | 47.2 | Very low | 46.7 | Very low | 188 Ų | 188 | 137.8 Ų | 137.8 | 82% | 0.817 | 75% | 0.749 | S | S | * | * | trans | -62.2 | 84.8 | 160 | -77.9 | -174.8 | 176.6 | 178.1 | 0 | 104.9 | S77 A81 | S77-K79 PolarHBondContact O-N 2.94Å; K79-A81 PolarHBondContact O-N 3.04Å | ||
| 80 | V | 38.9 | Very low | 46.1 | Very low | 108 Ų | 108 | 138 Ų | 138 | 66% | 0.655 | 75% | 0.75 | S | S | * | * | trans | -46.3 | 101.8 | 151.4 | 174.1 | 0 | 0 | 0 | 0 | 103 | Y78 Y82 | Y78-V80 HydrophobicContact CD1-CG2 4.01Å; Y78-V80 PolarHBondContact O-N 3.39Å; V80-Y82 PolarHBondContact O-N 2.86Å | ||
| 81 | A | 39.6 | Very low | 45.8 | Very low | 79 Ų | 79 | 144.6 Ų | 144.6 | 65% | 0.653 | 75% | 0.754 | S | S | * | * | trans | -65.2 | 93.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 103.3 | K79 R83 | K79-A81 PolarHBondContact O-N 3.04Å; A81-R83 PolarHBondContact O-N 3.33Å | ||
| 82 | Y | 35.2 | Very low | 45.6 | Very low | 186 Ų | 186 | 146.7 Ų | 146.7 | 73% | 0.729 | 76% | 0.757 | S | S | * | * | trans | -61.2 | 91.8 | 178.2 | -173.3 | -93.4 | 0 | 0 | 0 | 104.2 | V80 K84 | V80-Y82 PolarHBondContact O-N 2.86Å; Y82-K84 HydrophobicContact CD1-CB 3.78Å; Y82-K84 HydrophobicContact CE1-CB 3.92Å; Y82-K84 HydrophobicContact CE1-CG 4.23Å; Y82-K84 PolarHBondContact O-N 3.3Å | ||
| 83 | R | 51.1 | Low | 45.5 | Very low | 222 Ų | 222 | 147.1 Ų | 147.1 | 84% | 0.838 | 75% | 0.746 | S | S | * | * | trans | -68.8 | 73.8 | 167 | -73.9 | -163.8 | 178.3 | -127.9 | 1.4 | 104.1 | A81 Y85 | A81-R83 PolarHBondContact O-N 3.33Å; R83-Y85 VanDerWaalsContact C-N 3.3Å; R83-Y85 WeakPolarHBondContact O-CA 3.35Å; R83-Y85 PolarHBondContact O-N 2.93Å | ||
| 84 | K | 40.9 | Very low | 45.9 | Very low | 149 Ų | 149 | 148.7 Ų | 148.7 | 65% | 0.648 | 74% | 0.738 | S | S | * | * | trans | -39.3 | 104.5 | 167.1 | -179.1 | 177.6 | -172.8 | 176.2 | 0 | 103.3 | Y82 M86 | Y82-K84 HydrophobicContact CD1-CB 3.78Å; Y82-K84 HydrophobicContact CE1-CB 3.92Å; Y82-K84 HydrophobicContact CE1-CG 4.23Å; Y82-K84 PolarHBondContact O-N 3.3Å; K84-M86 HydrophobicContact CD-CE 4.38Å; K84-M86 HydrophobicContact CG-CE 4.24Å; K84-M86 PolarHBondContact O-N 3.23Å | ||
| 85 | Y | 43 | Very low | 45.3 | Very low | 198 Ų | 198 | 144 Ų | 144 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | trans | -52.3 | 114.9 | -171.6 | -77.5 | -97.3 | 0 | 0 | 0 | 104.7 | R83 T87 | R83-Y85 VanDerWaalsContact C-N 3.3Å; R83-Y85 WeakPolarHBondContact O-CA 3.35Å; R83-Y85 PolarHBondContact O-N 2.93Å; Y85-T87 PolarHBondContact O-N 3.16Å; Y85-T87 PolarHBondContact O-OG1 3.24Å | ||
| 86 | M | 37.1 | Very low | 45.6 | Very low | 142 Ų | 142 | 142 Ų | 142 | 70% | 0.7 | 71% | 0.711 | S | S | * | * | trans | -67.9 | 90.1 | 162.9 | -71.4 | -66.2 | 97.6 | 0 | 0 | 102 | K84 V88 | K84-M86 HydrophobicContact CD-CE 4.38Å; K84-M86 HydrophobicContact CG-CE 4.24Å; K84-M86 PolarHBondContact O-N 3.23Å; M86-V88 HydrophobicContact CB-CG2 4.16Å; M86-V88 WeakPolarHBondContact O-CG2 3.41Å; M86-V88 PolarHBondContact O-N 2.95Å | ||
| 87 | T | 52.3 | Low | 46.1 | Very low | 124 Ų | 124 | 135 Ų | 135 | 76% | 0.761 | 68% | 0.677 | S | S | * | * | trans | -63.7 | 74.6 | 160.9 | -34.9 | 0 | 0 | 0 | 0 | 103.9 | Y85 P89 | Y85-T87 PolarHBondContact O-N 3.16Å; Y85-T87 PolarHBondContact O-OG1 3.24Å; T87-P89 WeakPolarHBondContact O-CD 3.42Å | ||
| 88 | V | 44.2 | Very low | 46.4 | Very low | 116 Ų | 116 | 132.7 Ų | 132.7 | 70% | 0.703 | 66% | 0.659 | S | S | * | * | trans | -53.9 | 116.1 | -177.1 | -178.4 | 0 | 0 | 0 | 0 | 103.7 | M86 A90 | M86-V88 HydrophobicContact CB-CG2 4.16Å; M86-V88 WeakPolarHBondContact O-CG2 3.41Å; M86-V88 PolarHBondContact O-N 2.95Å; V88-A90 PolarHBondContact O-N 3.2Å | ||
| 89 | P | 39.5 | Very low | 47.3 | Very low | 99 Ų | 99 | 130 Ų | 130 | 64% | 0.643 | 65% | 0.647 | S | S | * | * | trans | -56.2 | 118.7 | -175.7 | -26.6 | 35.2 | 0 | 0 | 0 | 107.1 | T87 R91 | T87-P89 WeakPolarHBondContact O-CD 3.42Å; P89-R91 HydrophobicContact CB-CB 4.48Å; P89-R91 HydrophobicContact CB-CG 4.42Å; P89-R91 PolarHBondContact O-N 2.53Å | ||
| 90 | A | 46.3 | Very low | 48.1 | Very low | 85 Ų | 85 | 123.1 Ų | 123.1 | 70% | 0.702 | 62% | 0.623 | S | S | * | * | trans | -68.4 | 20.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V88 R92 | V88-A90 PolarHBondContact O-N 3.2Å; A90-R92 PolarHBondContact O-N 2.79Å | ||
| 91 | R | 47.6 | Very low | 49.2 | Very low | 207 Ų | 207 | 122.9 Ų | 122.9 | 78% | 0.781 | 62% | 0.621 | S | S | * | * | trans | -67.9 | 59.9 | 161.6 | -62.2 | -174.7 | 174.3 | -123.2 | -9 | 110 | P89 S93 | P89-R91 HydrophobicContact CB-CB 4.48Å; P89-R91 HydrophobicContact CB-CG 4.42Å; P89-R91 PolarHBondContact O-N 2.53Å; R91-S93 PolarHBondContact O-N 3.36Å | ||
| 92 | R | 50.7 | Low | 50.5 | Low | 217 Ų | 217 | 119.9 Ų | 119.9 | 82% | 0.819 | 60% | 0.599 | S | S | * | * | trans | -66.6 | 63.4 | 143.5 | -65.9 | -174.5 | -173.6 | -123.4 | 7.5 | 107.7 | A90 I94 | A90-R92 PolarHBondContact O-N 2.79Å; R92-I94 PolarHBondContact O-N 2.69Å | ||
| 93 | S | 52.9 | Low | 52 | Low | 99 Ų | 99 | 111.3 Ų | 111.3 | 69% | 0.692 | 57% | 0.566 | S | S | * | * | trans | -55 | 107.7 | 161.6 | 46.7 | 0 | 0 | 0 | 0 | 105.8 | R91 P95 | R91-S93 PolarHBondContact O-N 3.36Å; S93-P95 WeakPolarHBondContact O-CD 3.49Å | ||
| 94 | I | 55.4 | Low | 52.5 | Low | 95 Ų | 95 | 105.9 Ų | 105.9 | 49% | 0.487 | 55% | 0.55 | S | S | . | . | trans | -57.1 | 107 | -156.2 | -62.8 | 170.7 | 0 | 0 | 0 | 108.7 | R92 N96 V97 | R92-I94 PolarHBondContact O-N 2.69Å; I94-N96 PolarHBondContact O-N 3.3Å; I94-V97 HydrophobicContact CB-CG2 3.8Å; I94-V97 HydrophobicContact CG2-CG2 4.03Å; I94-V97 PolarHBondContact O-N 3.4Å | ||
| 95 | P | 46.3 | Very low | 53.5 | Low | 98 Ų | 98 | 102.7 Ų | 102.7 | 64% | 0.636 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 133.7 | 175.3 | 29.1 | -31.3 | 0 | 0 | 0 | 106 | S93 | S93-P95 WeakPolarHBondContact O-CD 3.49Š|
| 96 | N | 53.4 | Low | 54.5 | Low | 88 Ų | 88 | 93.4 Ų | 93.4 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 20.7 | -177 | -44.1 | -63.7 | 0 | 0 | 0 | 118 | I94 T98 R99 S100 | I94-N96 PolarHBondContact O-N 3.3Å; N96-T98 PolarHBondContact O-N 2.93Å; N96-R99 HydrophobicContact CB-CB 4.01Å; N96-R99 HydrophobicContact CB-CG 4.12Å; N96-R99 CarbonylContact O-C 3.58Å; N96-R99 WeakPolarHBondContact O-CA 3.39Å; N96-R99 PolarHBondContact O-N 3.35Å; N96-R99 VanDerWaalsContact OD1-CD 3.31Å; N96-R99 WeakPolarHBondContact OD1-CD 3.48Å; N96-S100 PolarHBondContact O-N 2.87Å; N96-S100 VanDerWaalsContact O-N 3.07Å |
| 97 | V | 55.9 | Low | 55.7 | Low | 28 Ų | 28 | 91.1 Ų | 91.1 | 17% | 0.17 | 50% | 0.502 | C | S | . | . | G | 310 helix | trans | -51 | -43.7 | 164 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | I94 R99 S100 V103 I429 | I94-V97 HydrophobicContact CB-CG2 3.8Å; I94-V97 HydrophobicContact CG2-CG2 4.03Å; I94-V97 PolarHBondContact O-N 3.4Å; V97-R99 PolarHBondContact O-N 2.95Å; V97-S100 WeakPolarHBondContact O-CB 3.25Å; V97-S100 PolarHBondContact O-N 3.36Å; V97-S100 VanDerWaalsContact O-N 3.11Å; V97-S100 PolarHBondContact O-OG 2.94Å; V97-V103 HydrophobicContact CG1-CG2 4.34Å; V97-I429 HydrophobicContact CG1-CD1 4.24Å; V97-I429 HydrophobicContact CG2-CD1 4.19Å |
| 98 | T | 57.3 | Low | 56.4 | Low | 62 Ų | 62 | 88 Ų | 88 | 38% | 0.38 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -71.2 | -7 | 176 | 53.1 | 0 | 0 | 0 | 0 | 115.2 | N96 Y113 | N96-T98 PolarHBondContact O-N 2.93Å; T98-Y113 VanDerWaalsContact CG2-O 3.23Å; T98-Y113 WeakPolarHBondContact CG2-O 3.45Å |
| 99 | R | 58.8 | Low | 57.4 | Low | 140 Ų | 140 | 82.6 Ų | 82.6 | 53% | 0.528 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -109.2 | 4.4 | 168.2 | -42.4 | -174.2 | 176.1 | -169.4 | -7.6 | 113.4 | N96 V97 E119 | N96-R99 HydrophobicContact CB-CB 4.01Å; N96-R99 HydrophobicContact CB-CG 4.12Å; N96-R99 CarbonylContact O-C 3.58Å; N96-R99 WeakPolarHBondContact O-CA 3.39Å; N96-R99 PolarHBondContact O-N 3.35Å; N96-R99 VanDerWaalsContact OD1-CD 3.31Å; N96-R99 WeakPolarHBondContact OD1-CD 3.48Å; V97-R99 PolarHBondContact O-N 2.95Å; R99-E119 IonicContact CZ-OE1 3.3Å; R99-E119 IonicContact NH2-OE1 2.67Å; R99-E119 PolarHBondContact NH2-OE1 2.91Å |
| 100 | S | 64 | Low | 58.7 | Low | 44 Ų | 44 | 84 Ų | 84 | 31% | 0.308 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -68.2 | 137.9 | 172.6 | 68.6 | 0 | 0 | 0 | 0 | 109.7 | N96 V97 G102 V103 Q104 | N96-S100 PolarHBondContact O-N 2.87Å; N96-S100 VanDerWaalsContact O-N 3.07Å; V97-S100 WeakPolarHBondContact O-CB 3.25Å; V97-S100 PolarHBondContact O-N 3.36Å; V97-S100 VanDerWaalsContact O-N 3.11Å; V97-S100 PolarHBondContact O-OG 2.94Å; S100-G102 PolarHBondContact O-N 2.88Å; S100-V103 PolarHBondContact O-N 3.31Å; S100-V103 WeakPolarHBondContact OG-CB 3.47Å; S100-V103 VanDerWaalsContact OG-CG2 3.25Å; S100-V103 WeakPolarHBondContact OG-CG2 3.29Å; S100-Q104 PolarHBondContact O-N 3.38Å |
| 101 | T | 61.9 | Low | 59.7 | Low | 102 Ų | 102 | 86.7 Ų | 86.7 | 63% | 0.626 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -56.1 | -40.9 | -174 | -43 | 0 | 0 | 0 | 0 | 111.6 | V103 Q104 T105 | T101-V103 PolarHBondContact O-N 3.47Å; T101-Q104 CarbonylContact O-C 3.48Å; T101-Q104 PolarHBondContact O-N 3.11Å; T101-Q104 VanDerWaalsContact O-N 3.07Å; T101-T105 HydrophobicContact CG2-CG2 4.13Å; T101-T105 WeakPolarHBondContact O-CG2 3.23Å; T101-T105 PolarHBondContact O-N 3.31Å; T101-T105 PolarHBondContact O-OG1 2.93Å |
| 102 | G | 66.8 | Low | 60.5 | Low | 17 Ų | 17 | 84.9 Ų | 84.9 | 18% | 0.175 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -61.4 | -36.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | S100 Q104 S106 | S100-G102 PolarHBondContact O-N 2.88Å; G102-Q104 VanDerWaalsContact C-N 3.34Å; G102-S106 WeakPolarHBondContact O-CB 3.37Å; G102-S106 PolarHBondContact O-N 3.07Å |
| 103 | V | 65.6 | Low | 60.9 | Low | 6 Ų | 6 | 77.9 Ų | 77.9 | 4% | 0.036 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -78.2 | -20.9 | 174.9 | 177.7 | 0 | 0 | 0 | 0 | 111.8 | V97 S100 T101 L109 Y113 | V97-V103 HydrophobicContact CG1-CG2 4.34Å; S100-V103 PolarHBondContact O-N 3.31Å; S100-V103 WeakPolarHBondContact OG-CB 3.47Å; S100-V103 VanDerWaalsContact OG-CG2 3.25Å; S100-V103 WeakPolarHBondContact OG-CG2 3.29Å; T101-V103 PolarHBondContact O-N 3.47Å; V103-L109 HydrophobicContact CB-CB 4.42Å; V103-L109 HydrophobicContact CG1-CB 4.29Å; V103-L109 HydrophobicContact CG2-CB 4.11Å; V103-L109 HydrophobicContact CG2-CD1 4.25Å; V103-Y113 HydrophobicContact CG1-CD2 4.49Å; V103-Y113 HydrophobicContact CG2-CD2 4.44Å |
| 104 | Q | 63.4 | Low | 61.2 | Low | 108 Ų | 108 | 80.5 Ų | 80.5 | 51% | 0.505 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -82.6 | -36.2 | 173.9 | -68.7 | -176.2 | -19.3 | 0 | 0 | 113 | S100 T101 G102 | S100-Q104 PolarHBondContact O-N 3.38Å; T101-Q104 CarbonylContact O-C 3.48Å; T101-Q104 PolarHBondContact O-N 3.11Å; T101-Q104 VanDerWaalsContact O-N 3.07Å; G102-Q104 VanDerWaalsContact C-N 3.34Å |
| 105 | T | 60.4 | Low | 61.1 | Low | 82 Ų | 82 | 81.7 Ų | 81.7 | 50% | 0.503 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -87.3 | -30.7 | 179.6 | 57.7 | 0 | 0 | 0 | 0 | 113.2 | T101 P107 | T101-T105 HydrophobicContact CG2-CG2 4.13Å; T101-T105 WeakPolarHBondContact O-CG2 3.23Å; T101-T105 PolarHBondContact O-N 3.31Å; T101-T105 PolarHBondContact O-OG1 2.93Å; T105-P107 VanDerWaalsContact O-CD 3.32Å; T105-P107 WeakPolarHBondContact O-CD 3.44Å |
| 106 | S | 65.3 | Low | 60.7 | Low | 3 Ų | 3 | 84.9 Ų | 84.9 | 2% | 0.021 | 43% | 0.425 | C | S | . | . | trans | -74.4 | 121.5 | 172.3 | 174.2 | 0 | 0 | 0 | 0 | 111.8 | G102 D108 L109 K110 D436 | G102-S106 WeakPolarHBondContact O-CB 3.37Å; G102-S106 PolarHBondContact O-N 3.07Å; S106-D108 PolarHBondContact O-N 3.11Å; S106-D108 PolarHBondContact OG-N 3.4Å; S106-L109 PolarHBondContact OG-N 3.04Å; S106-K110 VanDerWaalsContact O-CB 3.3Å; S106-K110 WeakPolarHBondContact O-CB 3.44Å; S106-K110 PolarHBondContact O-N 3.25Å; S106-D436 WeakPolarHBondContact CB-OD2 3.46Å; S106-D436 VanDerWaalsContact OG-CG 3.27Å; S106-D436 PolarHBondContact OG-OD2 3.21Å | ||
| 107 | P | 62.4 | Low | 60.3 | Low | 93 Ų | 93 | 85.6 Ų | 85.6 | 60% | 0.604 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -15.7 | 173.6 | -18.9 | 33.8 | 0 | 0 | 0 | 114.1 | T105 K111 | T105-P107 VanDerWaalsContact O-CD 3.32Å; T105-P107 WeakPolarHBondContact O-CD 3.44Å; P107-K111 WeakPolarHBondContact O-CE 3.23Å; P107-K111 WeakPolarHBondContact O-CG 3.48Å |
| 108 | D | 67.1 | Low | 59.7 | Low | 59 Ų | 59 | 93.1 Ų | 93.1 | 32% | 0.316 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -47.2 | -178.1 | -163.7 | 72.9 | 0 | 0 | 0 | 112.5 | S106 K110 K111 R112 | S106-D108 PolarHBondContact O-N 3.11Å; S106-D108 PolarHBondContact OG-N 3.4Å; D108-K110 PolarHBondContact O-N 3.43Å; D108-K111 WeakPolarHBondContact O-CA 3.43Å; D108-K111 WeakPolarHBondContact O-CB 3.44Å; D108-K111 PolarHBondContact O-N 2.74Å; D108-R112 PolarHBondContact O-N 3.07Å; D108-R112 IonicContact OD2-CZ 3.21Å; D108-R112 IonicContact OD2-NE 2.68Å; D108-R112 PolarHBondContact OD2-NE 3.02Å; D108-R112 IonicContact OD2-NH2 3.24Å; D108-R112 PolarHBondContact OD2-NH2 3.02Å |
| 109 | L | 64.6 | Low | 59.1 | Low | 2 Ų | 2 | 96.3 Ų | 96.3 | 1% | 0.01 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -60.1 | -34.3 | 175.1 | -53.5 | 178.9 | 0 | 0 | 0 | 111.2 | V103 S106 K111 R112 Y113 S432 V433 D436 | V103-L109 HydrophobicContact CB-CB 4.42Å; V103-L109 HydrophobicContact CG1-CB 4.29Å; V103-L109 HydrophobicContact CG2-CB 4.11Å; V103-L109 HydrophobicContact CG2-CD1 4.25Å; S106-L109 PolarHBondContact OG-N 3.04Å; L109-K111 PolarHBondContact O-N 3.2Å; L109-R112 PolarHBondContact O-N 2.83Å; L109-R112 VanDerWaalsContact O-N 3.16Å; L109-Y113 HydrophobicContact CB-CD2 4.17Å; L109-Y113 HydrophobicContact CB-CE2 4.46Å; L109-Y113 HydrophobicContact CD2-CE2 4.34Å; L109-Y113 WeakPolarHBondContact O-CD2 3.07Å; L109-Y113 PolarHBondContact O-N 2.86Å; L109-S432 WeakPolarHBondContact CD2-OG 3.31Å; L109-V433 HydrophobicContact CD1-CB 4.48Å; L109-V433 HydrophobicContact CD1-CG2 3.52Å; L109-D436 WeakPolarHBondContact CD1-OD2 3.37Å; L109-D436 VanDerWaalsContact CG-OD2 3.23Å; L109-D436 WeakPolarHBondContact CG-OD2 3.23Å |
| 110 | K | 66.7 | Low | 58.6 | Low | 130 Ų | 130 | 100.5 Ų | 100.5 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.8 | -29.6 | 173.4 | -170.3 | 171.8 | -177.9 | 175.3 | 0 | 113.9 | S106 D108 | S106-K110 VanDerWaalsContact O-CB 3.3Å; S106-K110 WeakPolarHBondContact O-CB 3.44Å; S106-K110 PolarHBondContact O-N 3.25Å; D108-K110 PolarHBondContact O-N 3.43Å |
| 111 | K | 68 | Low | 57.8 | Low | 140 Ų | 140 | 107.1 Ų | 107.1 | 61% | 0.609 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -80.9 | -44.5 | 171.4 | -60 | 167.5 | -172 | 172.3 | 0 | 110.7 | P107 D108 L109 Y113 Q114 | P107-K111 WeakPolarHBondContact O-CE 3.23Å; P107-K111 WeakPolarHBondContact O-CG 3.48Å; D108-K111 WeakPolarHBondContact O-CA 3.43Å; D108-K111 WeakPolarHBondContact O-CB 3.44Å; D108-K111 PolarHBondContact O-N 2.74Å; L109-K111 PolarHBondContact O-N 3.2Å; K111-Y113 VanDerWaalsContact C-N 3.28Å; K111-Y113 PolarHBondContact O-N 3.47Å; K111-Q114 WeakPolarHBondContact O-CB 3.24Å; K111-Q114 PolarHBondContact O-N 3.19Å |
| 112 | R | 63.1 | Low | 57.2 | Low | 170 Ų | 170 | 112.4 Ų | 112.4 | 64% | 0.642 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.2 | -26 | -175.8 | -140.5 | -179.8 | -67 | -156.9 | 3.1 | 113.5 | D108 L109 | D108-R112 PolarHBondContact O-N 3.07Å; D108-R112 IonicContact OD2-CZ 3.21Å; D108-R112 IonicContact OD2-NE 2.68Å; D108-R112 PolarHBondContact OD2-NE 3.02Å; D108-R112 IonicContact OD2-NH2 3.24Å; D108-R112 PolarHBondContact OD2-NH2 3.02Å; L109-R112 PolarHBondContact O-N 2.83Å; L109-R112 VanDerWaalsContact O-N 3.16Å |
| 113 | Y | 60.3 | Low | 56.2 | Low | 69 Ų | 69 | 114.9 Ų | 114.9 | 27% | 0.271 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -117 | 32.3 | 177.8 | -60.5 | -72.2 | 0 | 0 | 0 | 113.3 | T98 V103 L109 K111 T115 | T98-Y113 VanDerWaalsContact CG2-O 3.23Å; T98-Y113 WeakPolarHBondContact CG2-O 3.45Å; V103-Y113 HydrophobicContact CG1-CD2 4.49Å; V103-Y113 HydrophobicContact CG2-CD2 4.44Å; L109-Y113 HydrophobicContact CB-CD2 4.17Å; L109-Y113 HydrophobicContact CB-CE2 4.46Å; L109-Y113 HydrophobicContact CD2-CE2 4.34Å; L109-Y113 WeakPolarHBondContact O-CD2 3.07Å; L109-Y113 PolarHBondContact O-N 2.86Å; K111-Y113 VanDerWaalsContact C-N 3.28Å; K111-Y113 PolarHBondContact O-N 3.47Å; Y113-T115 PolarHBondContact O-N 3.01Å |
| 114 | Q | 57.8 | Low | 54.7 | Low | 154 Ų | 154 | 121.7 Ų | 121.7 | 72% | 0.72 | 59% | 0.585 | S | S | * | * | trans | -67.8 | -2.2 | -176.7 | -158.7 | 177.1 | 48 | 0 | 0 | 114.7 | K111 F116 | K111-Q114 WeakPolarHBondContact O-CB 3.24Å; K111-Q114 PolarHBondContact O-N 3.19Å; Q114-F116 VanDerWaalsContact C-N 3.3Å; Q114-F116 PolarHBondContact O-N 2.8Å | ||
| 115 | T | 53.2 | Low | 53.8 | Low | 121 Ų | 121 | 123 Ų | 123 | 74% | 0.742 | 60% | 0.601 | S | S | * | * | trans | -82.5 | 44.2 | -167 | 44 | 0 | 0 | 0 | 0 | 116 | Y113 | Y113-T115 PolarHBondContact O-N 3.01Š| ||
| 116 | F | 39 | Very low | 52.8 | Low | 165 Ų | 165 | 127.6 Ų | 127.6 | 72% | 0.724 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -145.2 | 125.2 | 151.4 | -90.4 | -70.7 | 0 | 0 | 0 | 110.2 | Q114 F118 | Q114-F116 VanDerWaalsContact C-N 3.3Å; Q114-F116 PolarHBondContact O-N 2.8Å; F116-F118 PolarHBondContact O-N 2.91Å |
| 117 | P | 45.7 | Very low | 51.7 | Low | 102 Ų | 102 | 135.9 Ų | 135.9 | 66% | 0.662 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 133.5 | 173.5 | -25 | 34.5 | 0 | 0 | 0 | 111 | ||
| 118 | F | 42.5 | Very low | 50.3 | Low | 187 Ų | 187 | 139.2 Ų | 139.2 | 82% | 0.82 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 142.9 | 170.7 | -168 | -94.2 | 0 | 0 | 0 | 109.7 | F116 R120 | F116-F118 PolarHBondContact O-N 2.91Å; F118-R120 PolarHBondContact O-N 3.04Å; F118-R120 VanDerWaalsContact O-N 3.1Å |
| 119 | E | 44.4 | Very low | 48.7 | Very low | 129 Ų | 129 | 142.1 Ų | 142.1 | 60% | 0.603 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -46.9 | 120.9 | -170.2 | -82.3 | -179.9 | -157.7 | 0 | 0 | 111.7 | R99 K121 | R99-E119 IonicContact CZ-OE1 3.3Å; R99-E119 IonicContact NH2-OE1 2.67Å; R99-E119 PolarHBondContact NH2-OE1 2.91Å; E119-K121 PolarHBondContact O-N 3.21Å |
| 120 | R | 47.6 | Very low | 47.3 | Very low | 227 Ų | 227 | 146.6 Ų | 146.6 | 86% | 0.857 | 71% | 0.714 | S | S | * | * | trans | -66.5 | 87.3 | 173.3 | -69.4 | -170.2 | -176.1 | 117.2 | -2.7 | 108.7 | F118 K122 | F118-R120 PolarHBondContact O-N 3.04Å; F118-R120 VanDerWaalsContact O-N 3.1Å; R120-K122 PolarHBondContact O-N 3.35Å | ||
| 121 | K | 47.1 | Very low | 45.8 | Very low | 184 Ų | 184 | 144.6 Ų | 144.6 | 80% | 0.8 | 72% | 0.722 | S | S | * | * | trans | -51.3 | 133.3 | 167.9 | -74.6 | -170.6 | 175.2 | -176.5 | 0 | 108.4 | E119 G123 | E119-K121 PolarHBondContact O-N 3.21Å; K121-G123 PolarHBondContact O-N 2.91Å; K121-G123 VanDerWaalsContact O-N 3.16Å | ||
| 122 | K | 51 | Low | 44.3 | Very low | 213 Ų | 213 | 144.1 Ų | 144.1 | 93% | 0.926 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -57.8 | 111.2 | -160.5 | -177.5 | -178.6 | 177.5 | -176.4 | 0 | 112.7 | R120 | R120-K122 PolarHBondContact O-N 3.35Š|
| 123 | G | 44.6 | Very low | 42.8 | Very low | 68 Ų | 68 | 144.2 Ų | 144.2 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | trans | 83.4 | 91 | 156.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | K121 | K121-G123 PolarHBondContact O-N 2.91Å; K121-G123 VanDerWaalsContact O-N 3.16Å | ||
| 124 | H | 35 | Very low | 41.7 | Very low | 149 Ų | 149 | 146.9 Ų | 146.9 | 69% | 0.69 | 76% | 0.762 | S | S | * | * | trans | -144.4 | 124.7 | 138.3 | -145.8 | 87.9 | 0 | 0 | 0 | 110.7 | F126 | H124-F126 HydrophobicContact CB-CD2 4.36Å; H124-F126 HydrophobicContact CB-CE2 4.49Å; H124-F126 AromaticContact CD2-CD2 3.46Å; H124-F126 VanDerWaalsContact CD2-CD2 3.46Å; H124-F126 WeakPolarHBondContact CD2-CD2 3.44Å; H124-F126 AromaticContact CD2-CE2 3.27Å; H124-F126 WeakPolarHBondContact CD2-CE2 3.17Å; H124-F126 AromaticContact CD2-CZ 3.8Å; H124-F126 AromaticContact CG-CE2 3.96Å; H124-F126 AromaticContact NE2-CE2 3.89Å; H124-F126 AromaticContact NE2-CZ 3.97Å; H124-F126 PolarHBondContact O-N 3.34Å | ||
| 125 | T | 44.6 | Very low | 40.3 | Very low | 136 Ų | 136 | 150.3 Ų | 150.3 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | trans | -90.5 | 71.3 | -178.1 | 48.5 | 0 | 0 | 0 | 0 | 111 | K127 | T125-K127 PolarHBondContact O-N 3.18Å; T125-K127 VanDerWaalsContact O-N 3.13Å | ||
| 126 | F | 39.5 | Very low | 39.3 | Very low | 179 Ų | 179 | 154.2 Ų | 154.2 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -72.3 | 104.2 | 168.7 | -85.7 | -68.3 | 0 | 0 | 0 | 110.5 | H124 | H124-F126 HydrophobicContact CB-CD2 4.36Å; H124-F126 HydrophobicContact CB-CE2 4.49Å; H124-F126 AromaticContact CD2-CD2 3.46Å; H124-F126 VanDerWaalsContact CD2-CD2 3.46Å; H124-F126 WeakPolarHBondContact CD2-CD2 3.44Å; H124-F126 AromaticContact CD2-CE2 3.27Å; H124-F126 WeakPolarHBondContact CD2-CE2 3.17Å; H124-F126 AromaticContact CD2-CZ 3.8Å; H124-F126 AromaticContact CG-CE2 3.96Å; H124-F126 AromaticContact NE2-CE2 3.89Å; H124-F126 AromaticContact NE2-CZ 3.97Å; H124-F126 PolarHBondContact O-N 3.34Å | ||
| 127 | K | 42.4 | Very low | 39 | Very low | 176 Ų | 176 | 149.5 Ų | 149.5 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | trans | -67.4 | 130.6 | 156.8 | -58.9 | 173.9 | -179.2 | 177.4 | 0 | 107.7 | T125 | T125-K127 PolarHBondContact O-N 3.18Å; T125-K127 VanDerWaalsContact O-N 3.13Å | ||
| 128 | H | 32.3 | Very low | 38.4 | Very low | 163 Ų | 163 | 153 Ų | 153 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | 172.1 | 160.9 | 112.1 | -106.4 | -86 | 0 | 0 | 0 | 113.8 | |||||
| 129 | V | 32.8 | Very low | 38 | Very low | 120 Ų | 120 | 151.8 Ų | 151.8 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | 58.1 | 111.8 | 156.2 | 174.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 130 | A | 36.1 | Very low | 37.5 | Very low | 97 Ų | 97 | 152.7 Ų | 152.7 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | -74.1 | 117.6 | 152.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 131 | A | 33.9 | Very low | 37.1 | Very low | 87 Ų | 87 | 145.4 Ų | 145.4 | 72% | 0.719 | 79% | 0.788 | S | S | * | * | trans | -76.9 | 122 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | E133 | A131-E133 PolarHBondContact O-N 3.36Š| ||
| 132 | V | 37.3 | Very low | 36.2 | Very low | 130 Ų | 130 | 146.5 Ų | 146.5 | 79% | 0.788 | 79% | 0.793 | S | S | * | * | trans | -84.2 | 104 | 170.6 | 174.8 | 0 | 0 | 0 | 0 | 107.8 | T134 | V132-T134 HydrophobicContact CG1-CG2 4.18Š| ||
| 133 | E | 32.5 | Very low | 35.3 | Very low | 173 Ų | 173 | 142.9 Ų | 142.9 | 81% | 0.808 | 79% | 0.789 | S | S | * | * | trans | -94.5 | 114.2 | 166.2 | -76.3 | -165 | 134.5 | 0 | 0 | 110.5 | A131 Y135 | A131-E133 PolarHBondContact O-N 3.36Å; E133-Y135 PolarHBondContact O-N 2.91Å | ||
| 134 | T | 36.3 | Very low | 34.8 | Very low | 125 Ų | 125 | 148.2 Ų | 148.2 | 77% | 0.767 | 80% | 0.798 | S | S | * | * | trans | -81.4 | 95.6 | -178.4 | 52.1 | 0 | 0 | 0 | 0 | 111 | V132 K136 | V132-T134 HydrophobicContact CG1-CG2 4.18Å; T134-K136 PolarHBondContact O-N 2.98Å | ||
| 135 | Y | 28.5 | Very low | 34.4 | Very low | 226 Ų | 226 | 149.1 Ų | 149.1 | 89% | 0.886 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 120.4 | 171.4 | -118.1 | -91.6 | 0 | 0 | 0 | 111.4 | E133 | E133-Y135 PolarHBondContact O-N 2.91Š|
| 136 | K | 32.5 | Very low | 33.8 | Very low | 202 Ų | 202 | 147.1 Ų | 147.1 | 88% | 0.878 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 132.2 | -172.5 | -163.9 | 176.1 | -177.4 | -179.4 | 0 | 110.8 | T134 | T134-K136 PolarHBondContact O-N 2.98Š|
| 137 | G | 32.5 | Very low | 33.5 | Very low | 67 Ų | 67 | 147.9 Ų | 147.9 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 156.9 | -160.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 138 | H | 33.7 | Very low | 33.1 | Very low | 175 Ų | 175 | 148.7 Ų | 148.7 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | -128.7 | 119.5 | 157.2 | -136.2 | 70.8 | 0 | 0 | 0 | 108.8 | ||||
| 139 | N | 32.4 | Very low | 33.1 | Very low | 162 Ų | 162 | 146.6 Ų | 146.6 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | trans | -93.4 | 107 | -179 | -70 | -33.2 | 0 | 0 | 0 | 109.7 | ||||
| 140 | N | 35.9 | Very low | 33.1 | Very low | 147 Ų | 147 | 150.9 Ų | 150.9 | 79% | 0.786 | 82% | 0.822 | S | S | * | * | trans | -102.1 | 103.7 | 162.5 | -76.5 | -20.1 | 0 | 0 | 0 | 108.2 | ||||
| 141 | G | 37.2 | Very low | 32.8 | Very low | 74 Ų | 74 | 150.9 Ų | 150.9 | 76% | 0.763 | 82% | 0.821 | S | S | * | * | trans | -70.3 | 132.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 142 | F | 30.1 | Very low | 32.7 | Very low | 207 Ų | 207 | 150.3 Ų | 150.3 | 91% | 0.908 | 82% | 0.817 | S | S | * | * | trans | -113.1 | 98.3 | 161.8 | -118.8 | -91.9 | 0 | 0 | 0 | 108.6 | M144 | F142-M144 PolarHBondContact O-N 3.29Š| ||
| 143 | V | 31.5 | Very low | 32.5 | Very low | 138 Ų | 138 | 151.5 Ų | 151.5 | 84% | 0.836 | 81% | 0.813 | S | S | * | * | trans | -73.1 | 117.4 | 168.8 | 176 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 144 | M | 33.4 | Very low | 32.4 | Very low | 180 Ų | 180 | 151.5 Ų | 151.5 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | trans | -96.3 | 104.9 | 170.4 | -143.2 | -172.7 | -49.5 | 0 | 0 | 107.8 | F142 A146 | F142-M144 PolarHBondContact O-N 3.29Å; M144-A146 PolarHBondContact O-N 3.39Å | ||
| 145 | E | 27.8 | Very low | 32 | Very low | 167 Ų | 167 | 148.4 Ų | 148.4 | 78% | 0.78 | 81% | 0.806 | S | S | * | * | trans | -67 | 121.7 | 179.9 | -171.1 | -171.7 | 156.5 | 0 | 0 | 110.2 | ||||
| 146 | A | 31.8 | Very low | 32.2 | Very low | 94 Ų | 94 | 145.2 Ų | 145.2 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | trans | -84.8 | 129.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | M144 | M144-A146 PolarHBondContact O-N 3.39Š| ||
| 147 | K | 33.4 | Very low | 32.1 | Very low | 196 Ų | 196 | 142.6 Ų | 142.6 | 85% | 0.852 | 80% | 0.799 | S | S | * | * | trans | -123.6 | 104.2 | 174.3 | -160.5 | 164.2 | -170.2 | 165.3 | 0 | 110.9 | ||||
| 148 | Q | 33.4 | Very low | 32.2 | Very low | 192 Ų | 192 | 148.8 Ų | 148.8 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | trans | -80.9 | 155.4 | 177.9 | -68.3 | -177.8 | -12.5 | 0 | 0 | 112.5 | ||||
| 149 | S | 31 | Very low | 32.2 | Very low | 120 Ų | 120 | 149.4 Ų | 149.4 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | trans | -147.8 | 128.6 | 153.9 | 56.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 150 | K | 33.2 | Very low | 32.2 | Very low | 210 Ų | 210 | 149.7 Ų | 149.7 | 91% | 0.913 | 81% | 0.81 | S | S | * | * | trans | -48.2 | 166.5 | 168.6 | -71.8 | 177.4 | 175.3 | -176.8 | 0 | 113.6 | ||||
| 151 | A | 31.3 | Very low | 31.9 | Very low | 96 Ų | 96 | 151.4 Ų | 151.4 | 79% | 0.793 | 81% | 0.813 | S | S | * | * | cis | -173.2 | -159.2 | -19.5 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 152 | A | 32.1 | Very low | 31.5 | Very low | 75 Ų | 75 | 151.6 Ų | 151.6 | 62% | 0.62 | 82% | 0.815 | S | S | * | * | cis | -158.5 | -178.3 | 3.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 153 | E | 31.7 | Very low | 31.6 | Very low | 155 Ų | 155 | 146.7 Ų | 146.7 | 72% | 0.724 | 81% | 0.812 | S | S | * | * | trans | 63.8 | 142.9 | 174.7 | -45.5 | -56.2 | 102 | 0 | 0 | 115.6 | ||||
| 154 | Q | 31.1 | Very low | 31.8 | Very low | 174 Ų | 174 | 145.5 Ų | 145.5 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | cis | -159.6 | 171.4 | -9.6 | -103.7 | 168.9 | 31.7 | 0 | 0 | 105.9 | ||||
| 155 | G | 28.1 | Very low | 31.8 | Very low | 59 Ų | 59 | 148.9 Ų | 148.9 | 61% | 0.608 | 81% | 0.813 | S | S | * | * | cis | 152.7 | 141.2 | -1.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 156 | L | 31.7 | Very low | 32 | Very low | 159 Ų | 159 | 144.1 Ų | 144.1 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | 70.8 | 112.7 | 179.7 | -43.8 | 177.4 | 0 | 0 | 0 | 114.3 | ||||
| 157 | D | 30.3 | Very low | 32.1 | Very low | 147 Ų | 147 | 151.7 Ų | 151.7 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | 78.3 | 148.6 | 65.5 | -57 | -37.7 | 0 | 0 | 0 | 111.8 | |||||
| 158 | E | 35.5 | Very low | 32 | Very low | 197 Ų | 197 | 145.8 Ų | 145.8 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | cis | -126.3 | -120.6 | 23.6 | -59.6 | 166.5 | 120.9 | 0 | 0 | 114.5 | ||||
| 159 | E | 33.4 | Very low | 32.2 | Very low | 189 Ų | 189 | 142.9 Ų | 142.9 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | -122.5 | 175.9 | -158.4 | -64.1 | -165.9 | 111 | 0 | 0 | 118.7 | ||||
| 160 | E | 31.4 | Very low | 32.7 | Very low | 167 Ų | 167 | 145.1 Ų | 145.1 | 78% | 0.78 | 81% | 0.809 | S | S | * | * | trans | 93 | 155.1 | 147 | -89.7 | -79.3 | 66.7 | 0 | 0 | 123.8 | ||||
| 161 | E | 30.2 | Very low | 32.9 | Very low | 183 Ų | 183 | 146 Ų | 146 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | trans | -50.4 | 151.4 | -164.7 | -81.3 | -159.3 | 121.4 | 0 | 0 | 119.3 | ||||
| 162 | G | 29.3 | Very low | 33.1 | Very low | 78 Ų | 78 | 148 Ų | 148 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | 175.5 | 103.3 | 163.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | S164 | G162-S164 PolarHBondContact O-N 3.03Š| ||
| 163 | A | 32.2 | Very low | 33.2 | Very low | 104 Ų | 104 | 154.3 Ų | 154.3 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | -70.2 | 128.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 164 | S | 35.9 | Very low | 33.4 | Very low | 114 Ų | 114 | 150.8 Ų | 150.8 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | 54 | 88.2 | 140.9 | -164.5 | 0 | 0 | 0 | 0 | 119.3 | G162 | G162-S164 PolarHBondContact O-N 3.03Š| ||
| 165 | R | 33.5 | Very low | 33.6 | Very low | 251 Ų | 251 | 148 Ų | 148 | 95% | 0.947 | 80% | 0.804 | S | S | * | * | trans | -170.8 | 127.1 | 139.5 | -111.6 | 168.7 | -177.3 | -148 | 2 | 116 | ||||
| 166 | G | 32 | Very low | 33.9 | Very low | 66 Ų | 66 | 152.6 Ų | 152.6 | 68% | 0.68 | 81% | 0.814 | S | S | * | * | trans | 113.8 | 151.7 | 136.1 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 167 | R | 32.5 | Very low | 34.1 | Very low | 254 Ų | 254 | 152.8 Ų | 152.8 | 96% | 0.958 | 81% | 0.81 | S | S | * | * | trans | 68.3 | 129.6 | -178.2 | -63 | 175.6 | -77.5 | -113.5 | 0.8 | 114.9 | ||||
| 168 | G | 32.3 | Very low | 34.4 | Very low | 72 Ų | 72 | 151.5 Ų | 151.5 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | cis | -164.6 | 116.1 | -8.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L170 | G168-L170 PolarHBondContact O-N 3.26Š| ||
| 169 | V | 37.3 | Very low | 34.6 | Very low | 130 Ų | 130 | 149 Ų | 149 | 79% | 0.788 | 80% | 0.801 | S | S | * | * | trans | -88.8 | 107.3 | -178.9 | -179 | 0 | 0 | 0 | 0 | 110.6 | R171 | V169-R171 HydrophobicContact CG1-CG 4.1Å; V169-R171 PolarHBondContact O-N 2.9Å | ||
| 170 | L | 40.8 | Very low | 34.5 | Very low | 167 Ų | 167 | 148.3 Ų | 148.3 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -68.7 | 97.3 | 164.5 | -79.1 | 168.3 | 0 | 0 | 0 | 109.4 | G168 T172 | G168-L170 PolarHBondContact O-N 3.26Å; L170-T172 PolarHBondContact O-N 3.28Å | ||
| 171 | R | 39.1 | Very low | 34.5 | Very low | 228 Ų | 228 | 146.1 Ų | 146.1 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -74.4 | 91.2 | -179.2 | -75.3 | 179.3 | 167.8 | 166.1 | -4.7 | 111.9 | V169 R173 | V169-R171 HydrophobicContact CG1-CG 4.1Å; V169-R171 PolarHBondContact O-N 2.9Å; R171-R173 VanDerWaalsContact C-N 3.33Å; R171-R173 PolarHBondContact O-N 3.5Å | ||
| 172 | T | 34.7 | Very low | 34.6 | Very low | 139 Ų | 139 | 144.6 Ų | 144.6 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -70.3 | 88.1 | 165.5 | -47.9 | 0 | 0 | 0 | 0 | 110 | L170 A174 | L170-T172 PolarHBondContact O-N 3.28Å; T172-A174 PolarHBondContact O-N 2.78Å | ||
| 173 | R | 34.1 | Very low | 34.8 | Very low | 207 Ų | 207 | 145 Ų | 145 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | trans | -71 | 94.5 | -179.5 | -176.1 | -171.7 | -179 | -169.4 | 1.1 | 111 | R171 L175 | R171-R173 VanDerWaalsContact C-N 3.33Å; R171-R173 PolarHBondContact O-N 3.5Å; R173-L175 PolarHBondContact O-N 3.45Å | ||
| 174 | A | 35.6 | Very low | 34.9 | Very low | 82 Ų | 82 | 146.1 Ų | 146.1 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | trans | -65.6 | 117.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | T172 L176 | T172-A174 PolarHBondContact O-N 2.78Å; A174-L176 PolarHBondContact O-N 2.96Å | ||
| 175 | L | 35.6 | Very low | 34.7 | Very low | 115 Ų | 115 | 146.8 Ų | 146.8 | 60% | 0.602 | 79% | 0.787 | S | S | * | * | trans | -81.3 | 91.4 | 173.2 | -80.3 | 166.8 | 0 | 0 | 0 | 109.7 | R173 H177 | R173-L175 PolarHBondContact O-N 3.45Å; L175-H177 PolarHBondContact O-N 2.86Å | ||
| 176 | L | 35.2 | Very low | 34.5 | Very low | 155 Ų | 155 | 142.2 Ų | 142.2 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | -75.7 | 112.1 | 166.6 | -63.5 | 179 | 0 | 0 | 0 | 109 | A174 T178 | A174-L176 PolarHBondContact O-N 2.96Å; L176-T178 PolarHBondContact O-N 3.46Å | ||
| 177 | H | 35 | Very low | 34.3 | Very low | 163 Ų | 163 | 147.6 Ų | 147.6 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | -79.6 | 102 | 171.5 | -78.4 | -95.1 | 0 | 0 | 0 | 109.9 | L175 N179 | L175-H177 PolarHBondContact O-N 2.86Å; H177-N179 PolarHBondContact O-N 3.33Å | ||
| 178 | T | 37.5 | Very low | 34.2 | Very low | 120 Ų | 120 | 142.8 Ų | 142.8 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | -78.9 | 107.3 | 169.1 | 47.1 | 0 | 0 | 0 | 0 | 109.8 | L176 E180 | L176-T178 PolarHBondContact O-N 3.46Å; T178-E180 PolarHBondContact O-N 2.87Å | ||
| 179 | N | 38.7 | Very low | 34.1 | Very low | 146 Ų | 146 | 144.8 Ų | 144.8 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | trans | -81.3 | 104.1 | 167.2 | -73.1 | -26.3 | 0 | 0 | 0 | 108.9 | H177 C181 | H177-N179 PolarHBondContact O-N 3.33Å; N179-C181 PolarHBondContact O-N 3.5Å; N179-C181 VanDerWaalsContact O-N 3.13Å | ||
| 180 | E | 32.4 | Very low | 33.9 | Very low | 173 Ų | 173 | 143.1 Ų | 143.1 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | trans | -73.9 | 98.5 | 173.1 | -67.3 | -175.3 | 133.9 | 0 | 0 | 110.3 | T178 I182 | T178-E180 PolarHBondContact O-N 2.87Å; E180-I182 PolarHBondContact O-N 3.33Å; E180-I182 VanDerWaalsContact O-N 3.07Å | ||
| 181 | C | 30.8 | Very low | 33.8 | Very low | 121 Ų | 121 | 140.9 Ų | 140.9 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -77.1 | 88.8 | 172 | -69.4 | 0 | 0 | 0 | 0 | 110.2 | N179 A183 | N179-C181 PolarHBondContact O-N 3.5Å; N179-C181 VanDerWaalsContact O-N 3.13Å; C181-A183 PolarHBondContact O-N 2.88Å | ||
| 182 | I | 32.9 | Very low | 33.5 | Very low | 152 Ų | 152 | 138.1 Ų | 138.1 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | -64.9 | 102.8 | 170.1 | -59.9 | 175.2 | 0 | 0 | 0 | 108.7 | E180 | E180-I182 PolarHBondContact O-N 3.33Å; E180-I182 VanDerWaalsContact O-N 3.07Å | ||
| 183 | A | 33.1 | Very low | 33.3 | Very low | 85 Ų | 85 | 135.2 Ų | 135.2 | 70% | 0.702 | 77% | 0.77 | S | S | * | * | trans | -88.8 | 103.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | C181 V185 | C181-A183 PolarHBondContact O-N 2.88Å; A183-V185 PolarHBondContact O-N 2.9Å; A183-V185 VanDerWaalsContact O-N 3.13Å | ||
| 184 | T | 33.1 | Very low | 33.2 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -70.3 | 103.8 | 170.7 | 49.7 | 0 | 0 | 0 | 0 | 109.7 | E186 | T184-E186 PolarHBondContact O-N 2.83Š| ||
| 185 | V | 33.2 | Very low | 32.8 | Very low | 128 Ų | 128 | 136 Ų | 136 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | -76.9 | 103.9 | 171.7 | 177.9 | 0 | 0 | 0 | 0 | 108.5 | A183 Q187 | A183-V185 PolarHBondContact O-N 2.9Å; A183-V185 VanDerWaalsContact O-N 3.13Å; V185-Q187 PolarHBondContact O-N 2.88Å | ||
| 186 | E | 29.5 | Very low | 32.7 | Very low | 154 Ų | 154 | 135.8 Ų | 135.8 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | -85.4 | 103.7 | 170.9 | -160.6 | -179.7 | 148.3 | 0 | 0 | 109.1 | T184 H188 | T184-E186 PolarHBondContact O-N 2.83Å; E186-H188 PolarHBondContact O-N 2.94Å; E186-H188 IonicContact OE1-CD2 3.71Å; E186-H188 IonicContact OE1-CE1 3.7Å; E186-H188 IonicContact OE1-NE2 2.75Å; E186-H188 PolarHBondContact OE1-NE2 2.82Å | ||
| 187 | Q | 28 | Very low | 32.3 | Very low | 180 Ų | 180 | 135.8 Ų | 135.8 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | trans | -87.6 | 86.1 | -169.3 | -173 | 175.9 | -0.1 | 0 | 0 | 111.4 | V185 S189 | V185-Q187 PolarHBondContact O-N 2.88Å; Q187-S189 PolarHBondContact O-N 3.31Å | ||
| 188 | H | 29.7 | Very low | 32 | Very low | 153 Ų | 153 | 131.8 Ų | 131.8 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | trans | -80 | 112.2 | 172.1 | -78.1 | -86.4 | 0 | 0 | 0 | 111 | E186 | E186-H188 PolarHBondContact O-N 2.94Å; E186-H188 IonicContact OE1-CD2 3.71Å; E186-H188 IonicContact OE1-CE1 3.7Å; E186-H188 IonicContact OE1-NE2 2.75Å; E186-H188 PolarHBondContact OE1-NE2 2.82Å | ||
| 189 | S | 30.1 | Very low | 31.7 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 135.3 | 174.6 | 39 | 0 | 0 | 0 | 0 | 111.6 | Q187 | Q187-S189 PolarHBondContact O-N 3.31Š|
| 190 | A | 33.5 | Very low | 31.3 | Very low | 95 Ų | 95 | 134.1 Ų | 134.1 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -86 | 141.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 191 | P | 37.9 | Very low | 31.2 | Very low | 120 Ų | 120 | 134.2 Ų | 134.2 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 139.8 | 160 | 34.4 | -29 | 0 | 0 | 0 | 111.2 | ||
| 192 | D | 32.8 | Very low | 31 | Very low | 170 Ų | 170 | 133.3 Ų | 133.3 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 152.4 | 167.8 | -57 | -81.3 | 0 | 0 | 0 | 111.5 | ||
| 193 | G | 30.3 | Very low | 30.7 | Very low | 78 Ų | 78 | 131.9 Ų | 131.9 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -179.1 | 83.1 | -178 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 194 | L | 33 | Very low | 30.5 | Very low | 174 Ų | 174 | 134.8 Ų | 134.8 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | trans | -35.5 | 141.8 | 169.4 | -61.1 | 160.4 | 0 | 0 | 0 | 116 | ||||
| 195 | C | 26.7 | Very low | 30.5 | Very low | 131 Ų | 131 | 133.3 Ų | 133.3 | 89% | 0.885 | 81% | 0.808 | S | S | * | * | -170 | 140.6 | 120.5 | -109.4 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 196 | S | 32.7 | Very low | 30.3 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | -72.3 | 175.3 | 158.1 | -49 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 197 | D | 27.8 | Very low | 30.4 | Very low | 156 Ų | 156 | 132.9 Ų | 132.9 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | cis | -161.9 | -169.6 | 30 | -154.4 | -9.7 | 0 | 0 | 0 | 112.2 | ||||
| 198 | A | 29.1 | Very low | 30.5 | Very low | 78 Ų | 78 | 130.4 Ų | 130.4 | 65% | 0.645 | 80% | 0.804 | S | S | * | * | trans | -49.7 | 152.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 199 | L | 31.6 | Very low | 30.5 | Very low | 172 Ų | 172 | 127.8 Ų | 127.8 | 90% | 0.901 | 80% | 0.801 | S | S | * | * | -143.4 | 124.3 | 127.2 | -113.3 | 174.5 | 0 | 0 | 0 | 111.2 | |||||
| 200 | L | 30.3 | Very low | 30.6 | Very low | 144 Ų | 144 | 129.6 Ų | 129.6 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | trans | -77.3 | 148.6 | 165.1 | -73.9 | 157.2 | 0 | 0 | 0 | 109.4 | ||||
| 201 | L | 28.9 | Very low | 30.5 | Very low | 175 Ų | 175 | 129.7 Ų | 129.7 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | trans | -152.4 | 141.4 | 137.5 | -139.5 | 70.4 | 0 | 0 | 0 | 110.9 | ||||
| 202 | S | 28 | Very low | 30.1 | Very low | 102 Ų | 102 | 127.6 Ų | 127.6 | 71% | 0.713 | 80% | 0.802 | S | S | * | * | trans | -105.2 | 164.2 | -169.9 | -62.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 203 | C | 26.5 | Very low | 30.4 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -10.9 | 139.1 | 159.1 | -48.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 204 | T | 28.5 | Very low | 31.2 | Very low | 146 Ų | 146 | 128.9 Ų | 128.9 | 90% | 0.896 | 80% | 0.803 | S | S | * | * | trans | -120.8 | 120.9 | 135.8 | 51.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 205 | A | 33.2 | Very low | 31.4 | Very low | 98 Ų | 98 | 132.5 Ų | 132.5 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | -112.3 | 145.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 206 | D | 27.6 | Very low | 31.5 | Very low | 159 Ų | 159 | 130 Ų | 130 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | -133.7 | 137.1 | 173.5 | -123.9 | -35.6 | 0 | 0 | 0 | 111.5 | ||||
| 207 | T | 32.3 | Very low | 31.6 | Very low | 114 Ų | 114 | 130.8 Ų | 130.8 | 70% | 0.699 | 81% | 0.806 | S | S | * | * | trans | -70.7 | 170 | 172.3 | 17 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 208 | D | 30 | Very low | 31.7 | Very low | 129 Ų | 129 | 127.1 Ų | 127.1 | 69% | 0.69 | 81% | 0.805 | S | S | * | * | cis | -163.9 | 164.4 | 27.3 | -133.4 | -25.8 | 0 | 0 | 0 | 112.6 | ||||
| 209 | C | 30.9 | Very low | 31.8 | Very low | 98 Ų | 98 | 128.4 Ų | 128.4 | 66% | 0.662 | 82% | 0.816 | S | S | * | * | trans | 50.4 | 154.2 | 144.7 | -71.6 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 210 | L | 31.2 | Very low | 31.7 | Very low | 152 Ų | 152 | 123.4 Ų | 123.4 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | cis | -161.2 | 150.6 | -4.1 | -120.3 | 165.6 | 0 | 0 | 0 | 111.9 | ||||
| 211 | A | 31.8 | Very low | 31.7 | Very low | 96 Ų | 96 | 123.3 Ų | 123.3 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | trans | 32.2 | 148.4 | 150.8 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 212 | G | 29.1 | Very low | 31.8 | Very low | 76 Ų | 76 | 124.6 Ų | 124.6 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | trans | 178 | 13.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 213 | T | 39.3 | Very low | 32 | Very low | 144 Ų | 144 | 123.1 Ų | 123.1 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | trans | -88.3 | 147.8 | 174 | 43.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 214 | P | 46.3 | Very low | 32 | Very low | 131 Ų | 131 | 124.9 Ų | 124.9 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | trans | -132.6 | 160.4 | 135.4 | 37.3 | -28.1 | 0 | 0 | 0 | 113.5 | ||||
| 215 | R | 37.2 | Very low | 31.9 | Very low | 251 Ų | 251 | 126.4 Ų | 126.4 | 95% | 0.947 | 80% | 0.8 | S | S | * | * | trans | -132.9 | 133.1 | 174.4 | -174.8 | -172.4 | -170.7 | -158.6 | 5.3 | 108.3 | ||||
| 216 | G | 29.6 | Very low | 31.6 | Very low | 77 Ų | 77 | 130.1 Ų | 130.1 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | -154.8 | 150.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 217 | S | 34.1 | Very low | 31.7 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | trans | -121.4 | 152.7 | -171.2 | -55.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 218 | G | 30 | Very low | 31.3 | Very low | 78 Ų | 78 | 131.2 Ų | 131.2 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | 159.2 | 135.8 | 162.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 219 | A | 31.1 | Very low | 31.2 | Very low | 106 Ų | 106 | 129.7 Ų | 129.7 | 88% | 0.876 | 81% | 0.81 | S | S | * | * | trans | -56 | 164.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 220 | G | 29.2 | Very low | 31.2 | Very low | 67 Ų | 67 | 130.7 Ų | 130.7 | 69% | 0.691 | 81% | 0.812 | S | S | * | * | cis | 129.9 | 113.8 | -7.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 221 | T | 31.4 | Very low | 31.4 | Very low | 142 Ų | 142 | 129.6 Ų | 129.6 | 87% | 0.871 | 81% | 0.814 | S | S | * | * | trans | -162.4 | 136.3 | 167.6 | 20.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 222 | Q | 30.8 | Very low | 31.3 | Very low | 202 Ų | 202 | 130.1 Ų | 130.1 | 94% | 0.944 | 81% | 0.813 | S | S | * | * | trans | 37.2 | 154.2 | 155 | -74.9 | -172.2 | -14.2 | 0 | 0 | 123.9 | ||||
| 223 | G | 31.7 | Very low | 31.6 | Very low | 70 Ų | 70 | 136.9 Ų | 136.9 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | trans | 117.6 | 70.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 224 | E | 26.1 | Very low | 31.3 | Very low | 158 Ų | 158 | 135 Ų | 135 | 74% | 0.738 | 82% | 0.82 | S | S | * | * | 77.9 | 161.1 | 83.8 | -151.2 | 165.4 | -151.9 | 0 | 0 | 112.6 | |||||
| 225 | Y | 26.2 | Very low | 30.6 | Very low | 179 Ų | 179 | 132.1 Ų | 132.1 | 70% | 0.702 | 81% | 0.814 | S | S | * | * | trans | -115 | 166.2 | -136 | 42.8 | -109.2 | 0 | 0 | 0 | 117.6 | ||||
| 226 | Q | 26.9 | Very low | 30.3 | Very low | 176 Ų | 176 | 127.4 Ų | 127.4 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | trans | 92.2 | 140.3 | 142.7 | -158.9 | 160.9 | 84.7 | 0 | 0 | 119 | ||||
| 227 | L | 30.1 | Very low | 30.2 | Very low | 162 Ų | 162 | 127 Ų | 127 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | trans | -80.8 | 154.5 | 173.2 | -53.5 | 87 | 0 | 0 | 0 | 110.4 | ||||
| 228 | C | 24.1 | Very low | 30.1 | Very low | 133 Ų | 133 | 128.6 Ų | 128.6 | 90% | 0.899 | 81% | 0.806 | S | S | * | * | trans | -150.2 | 164.2 | 148.4 | -143.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 229 | S | 28.9 | Very low | 30.1 | Very low | 97 Ų | 97 | 132.9 Ų | 132.9 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | trans | -126.2 | 179.4 | -166.3 | -62.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 230 | V | 31.2 | Very low | 29.9 | Very low | 119 Ų | 119 | 135.3 Ų | 135.3 | 72% | 0.721 | 80% | 0.798 | S | S | * | * | trans | 70.2 | 157.1 | 169.3 | -129.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 231 | P | 34.7 | Very low | 29.8 | Very low | 129 Ų | 129 | 141.8 Ų | 141.8 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | -139.1 | 137.1 | 80.4 | 36.1 | -20 | 0 | 0 | 0 | 115.5 | |||||
| 232 | S | 29.8 | Very low | 29.8 | Very low | 108 Ų | 108 | 142.5 Ų | 142.5 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | -89.5 | 142.9 | 161.8 | -65 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 233 | K | 36.2 | Very low | 29.8 | Very low | 217 Ų | 217 | 138.2 Ų | 138.2 | 94% | 0.943 | 79% | 0.788 | S | S | * | * | trans | -79.4 | 154.3 | 174.5 | -74.1 | -172.8 | 174.1 | -177.4 | 0 | 111.7 | ||||
| 234 | A | 32.1 | Very low | 29.9 | Very low | 106 Ų | 106 | 142.2 Ų | 142.2 | 88% | 0.876 | 79% | 0.793 | S | S | * | * | trans | -130.9 | 167.3 | -166.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 235 | G | 31 | Very low | 30.2 | Very low | 70 Ų | 70 | 141 Ų | 141 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | trans | 97.7 | 150.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 236 | T | 31.8 | Very low | 30.5 | Very low | 151 Ų | 151 | 139.8 Ų | 139.8 | 93% | 0.926 | 80% | 0.801 | S | S | * | * | cis | -162.3 | 143.8 | -9.8 | -67.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 237 | G | 27.1 | Very low | 30.6 | Very low | 70 Ų | 70 | 142 Ų | 142 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | cis | -179.3 | -138.4 | 2.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 238 | L | 32.1 | Very low | 30.8 | Very low | 160 Ų | 160 | 141.7 Ų | 141.7 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | trans | -64.4 | 139.1 | -177.3 | -110.3 | 72.7 | 0 | 0 | 0 | 115.7 | ||||
| 239 | Q | 30.2 | Very low | 31 | Very low | 169 Ų | 169 | 139.8 Ų | 139.8 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | -171.5 | 153.1 | 100.4 | -98.8 | -62.9 | 11.3 | 0 | 0 | 112.9 | |||||
| 240 | H | 27.5 | Very low | 31.2 | Very low | 156 Ų | 156 | 144.2 Ų | 144.2 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | trans | -95.8 | 140.9 | -175.2 | 119.6 | -44.3 | 0 | 0 | 0 | 112.8 | ||||
| 241 | R | 26.9 | Very low | 31.1 | Very low | 203 Ų | 203 | 149.2 Ų | 149.2 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | -169.5 | 153.9 | 125 | -130.4 | -96.2 | 155.9 | -173.2 | 1.6 | 112.2 | |||||
| 242 | E | 31.4 | Very low | 30.7 | Very low | 158 Ų | 158 | 151.2 Ų | 151.2 | 74% | 0.738 | 81% | 0.806 | S | S | * | * | trans | -103.6 | 133.8 | 179.3 | 171.8 | -172 | -157.9 | 0 | 0 | 111.8 | ||||
| 243 | S | 30.7 | Very low | 30.7 | Very low | 112 Ų | 112 | 152.7 Ų | 152.7 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | -167.3 | 138.8 | 153.7 | 53.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 244 | D | 32.9 | Very low | 30.4 | Very low | 153 Ų | 153 | 150.6 Ų | 150.6 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -67.9 | 167.5 | 173.6 | -175.4 | 25.2 | 0 | 0 | 0 | 113.4 | ||||
| 245 | V | 33.3 | Very low | 30.2 | Very low | 133 Ų | 133 | 152.8 Ų | 152.8 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | trans | 154.4 | 135.4 | 143.9 | 161.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 246 | D | 31.3 | Very low | 30.3 | Very low | 153 Ų | 153 | 157.8 Ų | 157.8 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -72.1 | 178.5 | -176.1 | -133.6 | -35 | 0 | 0 | 0 | 116.4 | ||||
| 247 | R | 29.9 | Very low | 30.2 | Very low | 222 Ų | 222 | 159 Ų | 159 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | 105.2 | 82 | 139.2 | -153.6 | 172 | -175.2 | 154 | -0.7 | 122.9 | ||||
| 248 | L | 33.8 | Very low | 30.4 | Very low | 157 Ų | 157 | 164.9 Ų | 164.9 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | 21.4 | 106.5 | 121.5 | -167.4 | 147.5 | 0 | 0 | 0 | 120.2 | |||||
| 249 | A | 28.6 | Very low | 30.3 | Very low | 93 Ų | 93 | 160.5 Ų | 160.5 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | -163.8 | 123.2 | 148.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 250 | K | 32.6 | Very low | 30.1 | Very low | 190 Ų | 190 | 158.6 Ų | 158.6 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | 83.9 | 99.8 | 66.4 | -91.6 | -172.3 | 177.5 | 175.7 | 0 | 116.9 | |||||
| 251 | R | 29.3 | Very low | 30.2 | Very low | 223 Ų | 223 | 156.3 Ų | 156.3 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | trans | 83.2 | 157.1 | 132.7 | -93 | -172.8 | 167.3 | -148.5 | -4.4 | 122.3 | ||||
| 252 | Q | 27.2 | Very low | 30.4 | Very low | 171 Ų | 171 | 158 Ų | 158 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | trans | 72.9 | 118.5 | 170.8 | -72.3 | 162 | -19.8 | 0 | 0 | 115.6 | ||||
| 253 | L | 29.3 | Very low | 30.4 | Very low | 139 Ų | 139 | 156.5 Ų | 156.5 | 73% | 0.728 | 82% | 0.821 | S | S | * | * | cis | 89.2 | 102 | 26.4 | -160.5 | -179.4 | 0 | 0 | 0 | 113.7 | ||||
| 254 | L | 29.2 | Very low | 30.4 | Very low | 174 Ų | 174 | 158.6 Ų | 158.6 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | trans | -136.3 | 146.5 | 149.9 | -74.2 | 178.6 | 0 | 0 | 0 | 108.8 | ||||
| 255 | N | 28 | Very low | 30.6 | Very low | 151 Ų | 151 | 157.4 Ų | 157.4 | 81% | 0.807 | 82% | 0.824 | S | S | * | * | trans | -96.3 | 156.6 | 169.6 | -69.4 | -59.9 | 0 | 0 | 0 | 109.8 | ||||
| 256 | L | 32.6 | Very low | 30.3 | Very low | 176 Ų | 176 | 157 Ų | 157 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | trans | -138.6 | 138.7 | 148.2 | -171 | 60.6 | 0 | 0 | 0 | 107.5 | ||||
| 257 | E | 31.2 | Very low | 30.2 | Very low | 176 Ų | 176 | 160.9 Ų | 160.9 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | trans | -110.6 | 170.9 | -172.1 | -164.3 | 169.2 | 139.5 | 0 | 0 | 110.6 | ||||
| 258 | E | 31.2 | Very low | 30.1 | Very low | 193 Ų | 193 | 155 Ų | 155 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | trans | 73.5 | 131 | 163.6 | -155 | 165 | -138.5 | 0 | 0 | 116.9 | ||||
| 259 | G | 28.5 | Very low | 29.9 | Very low | 68 Ų | 68 | 153.2 Ų | 153.2 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | cis | 169.1 | 132.3 | -11.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 260 | S | 27 | Very low | 30.2 | Very low | 129 Ų | 129 | 158 Ų | 158 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | trans | -162.6 | 149.1 | 161.1 | -149.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 261 | S | 28.7 | Very low | 30.1 | Very low | 109 Ų | 109 | 156 Ų | 156 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | trans | -122.6 | 135.5 | -161.5 | -58.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 262 | R | 31.6 | Very low | 30.4 | Very low | 237 Ų | 237 | 151.6 Ų | 151.6 | 89% | 0.894 | 82% | 0.815 | S | S | * | * | trans | -164.1 | 100 | 154.5 | -108.8 | 151 | -168.7 | -110.6 | 0.5 | 114.9 | ||||
| 263 | T | 31.8 | Very low | 31 | Very low | 127 Ų | 127 | 146.1 Ų | 146.1 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | 43.6 | 110.1 | 136.7 | 56.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 264 | L | 30.1 | Very low | 31.5 | Very low | 156 Ų | 156 | 146 Ų | 146 | 82% | 0.817 | 81% | 0.812 | S | S | * | * | 12.5 | 143.1 | 126.8 | -93.1 | 167.7 | 0 | 0 | 0 | 119.8 | |||||
| 265 | P | 37.4 | Very low | 31.9 | Very low | 128 Ų | 128 | 144.3 Ų | 144.3 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | -139.4 | 165.2 | 78.1 | 39.3 | -25.5 | 0 | 0 | 0 | 117.7 | |||||
| 266 | D | 26.7 | Very low | 32.5 | Very low | 124 Ų | 124 | 141.6 Ų | 141.6 | 66% | 0.663 | 80% | 0.801 | S | S | * | * | trans | -82.1 | 153.3 | 174.5 | 166 | 43.8 | 0 | 0 | 0 | 112.8 | T268 | D266-T268 PolarHBondContact OD1-N 2.99Š| ||
| 267 | R | 29.7 | Very low | 32.6 | Very low | 235 Ų | 235 | 144 Ų | 144 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | trans | -155.8 | 82 | 156 | -145.3 | 175.7 | -168.3 | -166.7 | 3.3 | 115.3 | ||||
| 268 | T | 28.3 | Very low | 33 | Very low | 99 Ų | 99 | 142.7 Ų | 142.7 | 61% | 0.607 | 80% | 0.796 | S | S | * | * | trans | 6.2 | 118.9 | 147.2 | 63.4 | 0 | 0 | 0 | 0 | 118.1 | D266 | D266-T268 PolarHBondContact OD1-N 2.99Š| ||
| 269 | S | 30 | Very low | 33.1 | Very low | 120 Ų | 120 | 138.6 Ų | 138.6 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | -81.9 | 147.7 | 165.6 | 57.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 270 | K | 34.3 | Very low | 33.6 | Very low | 193 Ų | 193 | 143 Ų | 143 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | -109.3 | 118 | 177.3 | -70.5 | -171.1 | 176.4 | -173.3 | 0 | 111.1 | ||||
| 271 | V | 30 | Very low | 34.2 | Very low | 147 Ų | 147 | 143.6 Ų | 143.6 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | trans | -73.7 | 137.3 | 167.4 | 176 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 272 | T | 36.1 | Very low | 34.4 | Very low | 131 Ų | 131 | 147.6 Ų | 147.6 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -118.7 | 151.2 | 175.8 | -58.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 273 | G | 38.6 | Very low | 34.4 | Very low | 56 Ų | 56 | 142.9 Ų | 142.9 | 58% | 0.577 | 80% | 0.798 | S | S | * | * | trans | -76.8 | -166.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 274 | P | 41.4 | Very low | 34.5 | Very low | 137 Ų | 137 | 145.7 Ų | 145.7 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 138.5 | -164.5 | 29 | -35.8 | 0 | 0 | 0 | 113.8 | ||
| 275 | I | 37.8 | Very low | 34.6 | Very low | 139 Ų | 139 | 143.8 Ų | 143.8 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 128.8 | 175.4 | -62.9 | 172 | 0 | 0 | 0 | 109.5 | ||
| 276 | A | 39 | Very low | 34.5 | Very low | 94 Ų | 94 | 145.5 Ų | 145.5 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -87 | 121.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | N278 | A276-N278 PolarHBondContact O-N 3.16Å; A276-N278 VanDerWaalsContact O-N 3.11Å |
| 277 | W | 35.3 | Very low | 34.5 | Very low | 225 Ų | 225 | 146.9 Ų | 146.9 | 85% | 0.852 | 81% | 0.81 | S | S | * | * | trans | -80.8 | 90.1 | -179.4 | -72.1 | 99 | 0 | 0 | 0 | 112.1 | ||||
| 278 | N | 40.3 | Very low | 34.5 | Very low | 149 Ų | 149 | 140.1 Ų | 140.1 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | -145.5 | 75.3 | 163.4 | -174.2 | 10.9 | 0 | 0 | 0 | 111.7 | A276 | A276-N278 PolarHBondContact O-N 3.16Å; A276-N278 VanDerWaalsContact O-N 3.11Å | ||
| 279 | S | 33.1 | Very low | 35 | Very low | 108 Ų | 108 | 141.2 Ų | 141.2 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | trans | -178.5 | 100.3 | 154.7 | -81.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 280 | L | 38.6 | Very low | 34.9 | Very low | 161 Ų | 161 | 141 Ų | 141 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -149.3 | 55.4 | 166.1 | -165.5 | 64 | 0 | 0 | 0 | 111.1 | ||||
| 281 | T | 40.4 | Very low | 34.6 | Very low | 141 Ų | 141 | 138.5 Ų | 138.5 | 87% | 0.865 | 81% | 0.806 | S | S | * | * | trans | -141.9 | 61.7 | 170.8 | 41.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 282 | Q | 32.8 | Very low | 34.7 | Very low | 193 Ų | 193 | 139.5 Ų | 139.5 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | -141.3 | 122.3 | 161.5 | -114.2 | 162.5 | 51.7 | 0 | 0 | 108.9 | ||||
| 283 | V | 31.5 | Very low | 34.4 | Very low | 137 Ų | 137 | 139 Ų | 139 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | trans | -98.1 | 121.7 | 170.2 | 173.5 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 284 | E | 32.7 | Very low | 34.4 | Very low | 186 Ų | 186 | 145 Ų | 145 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | trans | -100.4 | 113.3 | -175.9 | -164.5 | 164.4 | -146.3 | 0 | 0 | 109.4 | ||||
| 285 | C | 32.3 | Very low | 34.1 | Very low | 116 Ų | 116 | 150.2 Ų | 150.2 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | trans | -85.5 | 142.3 | 172.4 | -62.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 286 | L | 34.8 | Very low | 33.9 | Very low | 164 Ų | 164 | 152.6 Ų | 152.6 | 86% | 0.859 | 82% | 0.82 | S | S | * | * | trans | -91 | 166.7 | 179.8 | -71.1 | 173 | 0 | 0 | 0 | 112.6 | ||||
| 287 | D | 28.1 | Very low | 33.8 | Very low | 154 Ų | 154 | 158.1 Ų | 158.1 | 82% | 0.824 | 83% | 0.827 | S | S | * | * | trans | 80.5 | 129.6 | 174.5 | -136.9 | 44.2 | 0 | 0 | 0 | 115.3 | ||||
| 288 | S | 28.7 | Very low | 33.5 | Very low | 93 Ų | 93 | 150.6 Ų | 150.6 | 65% | 0.65 | 82% | 0.819 | S | S | * | * | cis | -151.1 | 172.7 | -3.2 | -133.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 289 | P | 39.1 | Very low | 33 | Very low | 121 Ų | 121 | 152 Ų | 152 | 79% | 0.786 | 83% | 0.825 | S | S | * | * | trans | -96.7 | 161.7 | -157.2 | 37.7 | -37.9 | 0 | 0 | 0 | 116.8 | ||||
| 290 | S | 27.4 | Very low | 32.9 | Very low | 115 Ų | 115 | 154.8 Ų | 154.8 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -149.7 | 137.1 | 158.1 | 64 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 291 | V | 27.8 | Very low | 32.6 | Very low | 141 Ų | 141 | 154.1 Ų | 154.1 | 86% | 0.855 | 82% | 0.823 | S | S | * | * | trans | 41.5 | 94.1 | 152.1 | -167.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 292 | Q | 32.4 | Very low | 32.2 | Very low | 169 Ų | 169 | 154.8 Ų | 154.8 | 79% | 0.79 | 82% | 0.822 | S | S | * | * | trans | -22.2 | 133.8 | 143.4 | 177.4 | -173.8 | 103.4 | 0 | 0 | 117.6 | ||||
| 293 | S | 29.9 | Very low | 31.9 | Very low | 121 Ų | 121 | 149.2 Ų | 149.2 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | trans | -143.6 | 138.3 | 156.7 | -175.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 294 | K | 38.8 | Very low | 32 | Very low | 180 Ų | 180 | 150.8 Ų | 150.8 | 78% | 0.783 | 82% | 0.818 | S | S | * | * | trans | -120.4 | 121.2 | 179.8 | -79.5 | 179.5 | 176.2 | 171.9 | 0 | 111.1 | ||||
| 295 | R | 35.8 | Very low | 31.7 | Very low | 247 Ų | 247 | 147.3 Ų | 147.3 | 93% | 0.932 | 82% | 0.815 | S | S | * | * | trans | -173.5 | 164.9 | 153.4 | -104.4 | 163.4 | -168.8 | -144.8 | 5.1 | 110.4 | ||||
| 296 | K | 33.8 | Very low | 31.5 | Very low | 189 Ų | 189 | 146.9 Ų | 146.9 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | -169.5 | 96.1 | -51.1 | 177.5 | -177.4 | 171.9 | -174.5 | 0 | 108.6 | |||||
| 297 | K | 36.1 | Very low | 31.2 | Very low | 211 Ų | 211 | 147.4 Ų | 147.4 | 92% | 0.917 | 81% | 0.811 | S | S | * | * | trans | 43.2 | 115.1 | 142.1 | -163 | 176.8 | -172.9 | 179.1 | 0 | 120.1 | ||||
| 298 | G | 28.5 | Very low | 31.1 | Very low | 67 Ų | 67 | 145.9 Ų | 145.9 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | trans | 141 | 145.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 299 | L | 31 | Very low | 31.1 | Very low | 177 Ų | 177 | 149 Ų | 149 | 93% | 0.927 | 82% | 0.816 | S | S | * | * | cis | -137.3 | 175.4 | -3.6 | -122.1 | 79.6 | 0 | 0 | 0 | 109.3 | ||||
| 300 | Q | 30.3 | Very low | 31 | Very low | 168 Ų | 168 | 148.2 Ų | 148.2 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -98.4 | 155.2 | 167.2 | -63.3 | -178 | 14.5 | 0 | 0 | 110.9 | ||||
| 301 | L | 32.4 | Very low | 31 | Very low | 147 Ų | 147 | 154.4 Ų | 154.4 | 77% | 0.77 | 82% | 0.817 | S | S | * | * | 174.6 | 159.2 | 108.2 | -92.5 | 168.6 | 0 | 0 | 0 | 115.1 | |||||
| 302 | N | 31.1 | Very low | 31.1 | Very low | 155 Ų | 155 | 152.7 Ų | 152.7 | 83% | 0.829 | 82% | 0.817 | S | S | * | * | trans | -33.9 | 156.2 | 177.3 | -55.9 | -27.7 | 0 | 0 | 0 | 120.6 | ||||
| 303 | G | 27.7 | Very low | 30.9 | Very low | 75 Ų | 75 | 157 Ų | 157 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | trans | 178.2 | 136.8 | 157.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 304 | L | 32.6 | Very low | 30.9 | Very low | 170 Ų | 170 | 162.8 Ų | 162.8 | 89% | 0.89 | 83% | 0.83 | S | S | * | * | trans | -127.5 | 170.3 | 177.4 | -79.3 | 170.7 | 0 | 0 | 0 | 110.7 | ||||
| 305 | S | 27.3 | Very low | 30.4 | Very low | 113 Ų | 113 | 157.4 Ų | 157.4 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | trans | 74.2 | 147.8 | -179.7 | 79.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 306 | S | 28.8 | Very low | 30 | Very low | 108 Ų | 108 | 151 Ų | 151 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | cis | -162.1 | 166.5 | -14.9 | -107.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 307 | E | 26.6 | Very low | 29.9 | Very low | 174 Ų | 174 | 148.4 Ų | 148.4 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | trans | 72.8 | 133.8 | 153.6 | -92.4 | -172.1 | 63 | 0 | 0 | 124.4 | ||||
| 308 | T | 27.5 | Very low | 29.8 | Very low | 122 Ų | 122 | 144.8 Ų | 144.8 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | 82.4 | 137.9 | 138.2 | -58.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 309 | L | 27.7 | Very low | 30 | Very low | 160 Ų | 160 | 149.3 Ų | 149.3 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | trans | -77.6 | 174.7 | -176.9 | -117.3 | 67 | 0 | 0 | 0 | 112.2 | ||||
| 310 | P | 37.7 | Very low | 30.2 | Very low | 104 Ų | 104 | 145.3 Ų | 145.3 | 68% | 0.675 | 81% | 0.808 | S | S | * | * | cis | -141.3 | -174.8 | 5.1 | 39 | -18.1 | 0 | 0 | 0 | 117.6 | ||||
| 311 | R | 27.4 | Very low | 30.2 | Very low | 245 Ų | 245 | 145.3 Ų | 145.3 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | trans | 63.5 | 101.7 | 147.1 | -106.2 | -176.6 | 175.9 | 175.8 | -1.3 | 119.3 | ||||
| 312 | A | 29.8 | Very low | 30.1 | Very low | 105 Ų | 105 | 144 Ų | 144 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | trans | -156.5 | 111.8 | 136.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 313 | R | 28.2 | Very low | 30.1 | Very low | 258 Ų | 258 | 142.5 Ų | 142.5 | 97% | 0.974 | 81% | 0.812 | S | S | * | * | trans | -105.4 | 104.4 | 172.8 | -173.6 | -173.4 | -166 | -126.1 | 8.6 | 108.7 | ||||
| 314 | R | 30.4 | Very low | 30.2 | Very low | 243 Ų | 243 | 145.3 Ų | 145.3 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | trans | -133.5 | 91.3 | 175.3 | -161.9 | -179.2 | -64.6 | -97.2 | 6 | 110.4 | ||||
| 315 | G | 27.1 | Very low | 30 | Very low | 67 Ų | 67 | 140.6 Ų | 140.6 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | trans | -74 | 139.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 316 | C | 27.1 | Very low | 30.4 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | trans | -88.7 | 127.4 | 174.1 | -169.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 317 | T | 33.2 | Very low | 30.5 | Very low | 134 Ų | 134 | 147.6 Ų | 147.6 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | trans | -116.6 | 89.8 | 173 | 51.6 | 0 | 0 | 0 | 0 | 109.2 | Q319 | T317-Q319 PolarHBondContact O-N 3.35Å; T317-Q319 VanDerWaalsContact O-N 3.13Å | ||
| 318 | T | 33 | Very low | 30.7 | Very low | 135 Ų | 135 | 145.1 Ų | 145.1 | 83% | 0.828 | 82% | 0.822 | S | S | * | * | trans | -72 | 101.5 | 175.5 | 20.1 | 0 | 0 | 0 | 0 | 110.6 | A320 | T318-A320 PolarHBondContact O-N 2.8Š| ||
| 319 | Q | 33.7 | Very low | 30.7 | Very low | 162 Ų | 162 | 143.8 Ų | 143.8 | 76% | 0.757 | 82% | 0.823 | S | S | * | * | trans | -81 | 106.2 | 172.8 | -177.9 | -175.5 | 21.4 | 0 | 0 | 109.7 | T317 Q321 | T317-Q319 PolarHBondContact O-N 3.35Å; T317-Q319 VanDerWaalsContact O-N 3.13Å; Q319-Q321 PolarHBondContact O-N 2.67Å | ||
| 320 | A | 34.6 | Very low | 30.8 | Very low | 92 Ų | 92 | 147.2 Ų | 147.2 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | trans | -77.9 | 118.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | T318 | T318-A320 PolarHBondContact O-N 2.8Š| ||
| 321 | Q | 29.6 | Very low | 30.5 | Very low | 168 Ų | 168 | 148.2 Ų | 148.2 | 79% | 0.785 | 83% | 0.832 | S | S | * | * | trans | -90.1 | 127.6 | 168.3 | -63.2 | -177.6 | 5.8 | 0 | 0 | 109 | Q319 | Q319-Q321 PolarHBondContact O-N 2.67Š| ||
| 322 | C | 30.6 | Very low | 30.6 | Very low | 120 Ų | 120 | 145.1 Ų | 145.1 | 81% | 0.811 | 83% | 0.83 | S | S | * | * | trans | -111.9 | 113.5 | 170.7 | -64 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 323 | S | 31.1 | Very low | 30.7 | Very low | 124 Ų | 124 | 151.2 Ų | 151.2 | 87% | 0.867 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -76 | 120.2 | 179.8 | 50.4 | 0 | 0 | 0 | 0 | 111.6 | G325 | S323-G325 PolarHBondContact O-N 3.24Š|
| 324 | T | 29.9 | Very low | 30.6 | Very low | 134 Ų | 134 | 142.1 Ų | 142.1 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 117.5 | 177.5 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | ||
| 325 | G | 28.9 | Very low | 30.7 | Very low | 71 Ų | 71 | 138 Ų | 138 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 133.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | S323 | S323-G325 PolarHBondContact O-N 3.24Š|
| 326 | Q | 34.6 | Very low | 30.9 | Very low | 190 Ų | 190 | 142.1 Ų | 142.1 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 136.9 | 177.4 | -60 | -178.6 | 20.4 | 0 | 0 | 110.8 | ||
| 327 | L | 30.7 | Very low | 31.1 | Very low | 178 Ų | 178 | 144.6 Ų | 144.6 | 93% | 0.932 | 82% | 0.817 | S | S | * | * | trans | -126.2 | 129.1 | 160.2 | -73.6 | 175.8 | 0 | 0 | 0 | 108.6 | ||||
| 328 | S | 30.9 | Very low | 31.4 | Very low | 122 Ų | 122 | 143.7 Ų | 143.7 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | -92.2 | 127.4 | -173.1 | -174.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 329 | A | 29 | Very low | 32.2 | Very low | 94 Ų | 94 | 142.4 Ų | 142.4 | 78% | 0.777 | 81% | 0.807 | S | S | * | * | trans | -130.5 | 113.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 330 | R | 29.1 | Very low | 32 | Very low | 231 Ų | 231 | 140.9 Ų | 140.9 | 87% | 0.872 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 129.6 | 174.3 | -70 | 169.6 | 105.5 | 168.1 | 3.2 | 109.2 | ||
| 331 | P | 32 | Very low | 31.7 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 126.4 | 171.7 | 30.4 | -32.4 | 0 | 0 | 0 | 110.4 | ||
| 332 | M | 29.1 | Very low | 31.7 | Very low | 181 Ų | 181 | 137.4 Ų | 137.4 | 89% | 0.892 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 135.7 | 165.7 | -73.3 | -66.9 | -75.1 | 0 | 0 | 109.6 | ||
| 333 | R | 31.6 | Very low | 31.8 | Very low | 232 Ų | 232 | 140.8 Ų | 140.8 | 88% | 0.875 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 146.7 | 172.5 | -79.5 | -178.1 | 170.3 | -123.8 | 2.6 | 110.5 | ||
| 334 | G | 26.6 | Very low | 31.8 | Very low | 67 Ų | 67 | 139 Ų | 139 | 69% | 0.691 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 146.6 | 155.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 335 | M | 32 | Very low | 31.9 | Very low | 158 Ų | 158 | 136.8 Ų | 136.8 | 78% | 0.778 | 82% | 0.822 | S | S | * | * | trans | -131.4 | 116.7 | 152.7 | -59.8 | -115.4 | 56.5 | 0 | 0 | 103.1 | ||||
| 336 | D | 31.2 | Very low | 32.2 | Very low | 153 Ų | 153 | 143 Ų | 143 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | 60.5 | 126.9 | 76.2 | -95.8 | -60.8 | 0 | 0 | 0 | 114.1 | |||||
| 337 | E | 31 | Very low | 32.1 | Very low | 166 Ų | 166 | 138.7 Ų | 138.7 | 78% | 0.776 | 83% | 0.829 | S | S | * | * | trans | -105.2 | 139.6 | -170.3 | 178.3 | -167.6 | 111.9 | 0 | 0 | 111 | ||||
| 338 | P | 41.1 | Very low | 32.3 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 75% | 0.747 | 83% | 0.829 | S | S | * | * | trans | -120.7 | 132 | 157.8 | 35 | -23.8 | 0 | 0 | 0 | 112.8 | ||||
| 339 | P | 48 | Very low | 32.3 | Very low | 108 Ų | 108 | 136.5 Ų | 136.5 | 70% | 0.701 | 83% | 0.828 | S | S | * | * | trans | -87.9 | 172.7 | 172 | 35.3 | -35.6 | 0 | 0 | 0 | 113.3 | ||||
| 340 | S | 31.4 | Very low | 32.6 | Very low | 130 Ų | 130 | 136.7 Ų | 136.7 | 91% | 0.909 | 83% | 0.83 | S | S | * | * | trans | 79.5 | 138.2 | -177 | -158.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 341 | G | 28.2 | Very low | 33.3 | Very low | 62 Ų | 62 | 131.7 Ų | 131.7 | 64% | 0.639 | 83% | 0.827 | S | S | * | * | cis | 177.4 | -171.9 | -1.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 342 | C | 28.6 | Very low | 33.4 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 85% | 0.845 | 83% | 0.826 | S | S | * | * | trans | 73 | 97.1 | 170.9 | -64.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 343 | M | 33.8 | Very low | 34.2 | Very low | 191 Ų | 191 | 129.4 Ų | 129.4 | 94% | 0.941 | 82% | 0.821 | S | S | * | * | 48.8 | 123.8 | 120.1 | -60.3 | -72.8 | -89.9 | 0 | 0 | 121.7 | |||||
| 344 | G | 30.4 | Very low | 34.7 | Very low | 87 Ų | 87 | 126.9 Ų | 126.9 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | trans | 135.9 | 117.3 | 136.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 345 | G | 32.3 | Very low | 35.2 | Very low | 87 Ų | 87 | 129.8 Ų | 129.8 | 90% | 0.897 | 82% | 0.823 | S | S | * | * | trans | 137.1 | 113.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 346 | Q | 34 | Very low | 35.6 | Very low | 201 Ų | 201 | 130.7 Ų | 130.7 | 94% | 0.939 | 83% | 0.825 | S | S | * | * | trans | -106.1 | 141.4 | 167 | -68.2 | 174.1 | -7.5 | 0 | 0 | 109.6 | ||||
| 347 | A | 33.1 | Very low | 36.1 | Very low | 99 Ų | 99 | 130 Ų | 130 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -168.2 | 145.7 | 146.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 348 | D | 34.7 | Very low | 36.4 | Very low | 174 Ų | 174 | 126.3 Ų | 126.3 | 93% | 0.93 | 82% | 0.815 | S | S | * | * | trans | -75.5 | 155.1 | -179.1 | -58.2 | -92.1 | 0 | 0 | 0 | 113.8 | ||||
| 349 | G | 31.5 | Very low | 36.4 | Very low | 81 Ų | 81 | 126.9 Ų | 126.9 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | trans | 160.8 | 106.1 | 167 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 350 | A | 35.1 | Very low | 36.2 | Very low | 98 Ų | 98 | 128.6 Ų | 128.6 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | trans | -147.3 | 153.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 351 | P | 43.3 | Very low | 36.4 | Very low | 125 Ų | 125 | 131 Ų | 131 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | cis | -112.2 | 174.9 | -28 | 38.1 | -26.7 | 0 | 0 | 0 | 111.2 | ||||
| 352 | S | 35.4 | Very low | 37.6 | Very low | 114 Ų | 114 | 135.2 Ų | 135.2 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | trans | -125.6 | 115.8 | 162.7 | -76.3 | 0 | 0 | 0 | 0 | 110 | Q354 | S352-Q354 PolarHBondContact O-N 3.38Š| ||
| 353 | D | 44.5 | Very low | 38.5 | Very low | 145 Ų | 145 | 134.3 Ų | 134.3 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | trans | -76 | 96.5 | -179.5 | -177.8 | 18.2 | 0 | 0 | 0 | 110.1 | ||||
| 354 | Q | 42.9 | Very low | 39.2 | Very low | 178 Ų | 178 | 129.6 Ų | 129.6 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | -163.5 | 49.3 | -179.4 | -124.9 | 155.2 | 109.5 | 0 | 0 | 115.8 | S352 | S352-Q354 PolarHBondContact O-N 3.38Š| ||
| 355 | T | 35.9 | Very low | 40.3 | Very low | 129 Ų | 129 | 130.9 Ų | 130.9 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -137.3 | 20.5 | 172.2 | -26 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 356 | Q | 41.5 | Very low | 41.1 | Very low | 176 Ų | 176 | 133.3 Ų | 133.3 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -95.5 | 7 | -180 | -146.4 | -175.6 | 1.5 | 0 | 0 | 115.2 | ||
| 357 | E | 40.7 | Very low | 42.1 | Very low | 139 Ų | 139 | 130.5 Ų | 130.5 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -101.1 | -7.1 | -177.8 | -74.9 | -85 | 95 | 0 | 0 | 114.3 | C359 K360 | E357-C359 PolarHBondContact O-N 3.03Å; E357-K360 WeakPolarHBondContact OE1-CE 3.47Å; E357-K360 IonicContact OE1-NZ 2.63Å; E357-K360 PolarHBondContact OE1-NZ 2.76Å; E357-K360 IonicContact OE2-NZ 3.87Å |
| 358 | A | 37.6 | Very low | 43.3 | Very low | 89 Ų | 89 | 130.9 Ų | 130.9 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -1.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 359 | C | 40.9 | Very low | 44.9 | Very low | 127 Ų | 127 | 125.1 Ų | 125.1 | 86% | 0.858 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | 28.3 | -174.8 | -66 | 0 | 0 | 0 | 0 | 114 | E357 | E357-C359 PolarHBondContact O-N 3.03Š|
| 360 | K | 45.3 | Very low | 47.4 | Very low | 143 Ų | 143 | 126.9 Ų | 126.9 | 62% | 0.622 | 72% | 0.724 | S | S | * | * | trans | -115.9 | 22.2 | -176.3 | -71.6 | 178.5 | 179.2 | 168 | 0 | 115.2 | E357 I362 | E357-K360 WeakPolarHBondContact OE1-CE 3.47Å; E357-K360 IonicContact OE1-NZ 2.63Å; E357-K360 PolarHBondContact OE1-NZ 2.76Å; E357-K360 IonicContact OE2-NZ 3.87Å; K360-I362 VanDerWaalsContact C-N 3.31Å; K360-I362 PolarHBondContact O-N 3.22Å | ||
| 361 | Q | 34.2 | Very low | 50 | Low | 181 Ų | 181 | 125.4 Ų | 125.4 | 85% | 0.846 | 71% | 0.705 | S | S | * | * | trans | -82.4 | 79.5 | 167.9 | -167.2 | 159.2 | 17.5 | 0 | 0 | 111 | V363 | Q361-V363 HydrophobicContact CG-CG2 4.41Å; Q361-V363 PolarHBondContact O-N 3.18Å; Q361-V363 VanDerWaalsContact O-N 3.12Å | ||
| 362 | I | 54 | Low | 52 | Low | 151 Ų | 151 | 126.7 Ų | 126.7 | 77% | 0.774 | 70% | 0.698 | S | S | * | * | trans | -70.8 | 102.6 | 175.3 | -60.8 | 168.6 | 0 | 0 | 0 | 108.8 | K360 | K360-I362 VanDerWaalsContact C-N 3.31Å; K360-I362 PolarHBondContact O-N 3.22Å | ||
| 363 | V | 47.8 | Very low | 54.7 | Low | 105 Ų | 105 | 124 Ų | 124 | 64% | 0.636 | 68% | 0.682 | S | S | * | * | trans | -85.9 | 142.5 | 168.8 | 179.4 | 0 | 0 | 0 | 0 | 108.5 | Q361 | Q361-V363 HydrophobicContact CG-CG2 4.41Å; Q361-V363 PolarHBondContact O-N 3.18Å; Q361-V363 VanDerWaalsContact O-N 3.12Å | ||
| 364 | P | 48.3 | Very low | 57 | Low | 93 Ų | 93 | 122.6 Ų | 122.6 | 60% | 0.604 | 67% | 0.671 | S | S | * | * | trans | -64.6 | 137 | -156.9 | -27.5 | 36.9 | 0 | 0 | 0 | 117 | N366 | P364-N366 PolarHBondContact O-N 3.04Š| ||
| 365 | V | 53.8 | Low | 59.4 | Low | 113 Ų | 113 | 118.7 Ų | 118.7 | 69% | 0.685 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -65 | 92.3 | 166 | 172.4 | 0 | 0 | 0 | 0 | 109.4 | D368 | V365-D368 WeakPolarHBondContact CG1-OD2 3.23Š|
| 366 | N | 49.1 | Very low | 62.2 | Low | 139 Ų | 139 | 116.9 Ų | 116.9 | 74% | 0.743 | 64% | 0.638 | S | S | * | * | trans | -145.5 | -3 | 167.2 | -90.3 | -73.3 | 0 | 0 | 0 | 113.2 | P364 | P364-N366 PolarHBondContact O-N 3.04Š| ||
| 367 | Q | 54.9 | Low | 64.7 | Low | 141 Ų | 141 | 111.2 Ų | 111.2 | 66% | 0.659 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -81 | -20.4 | 179.7 | -72.2 | 178 | 73.8 | 0 | 0 | 113.2 | G369 D370 V371 | Q367-G369 PolarHBondContact O-N 3.29Å; Q367-D370 PolarHBondContact O-N 2.96Å; Q367-V371 PolarHBondContact O-N 3.4Å |
| 368 | D | 58 | Low | 67.3 | Low | 107 Ų | 107 | 109.2 Ų | 109.2 | 57% | 0.572 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.6 | -28.1 | -177.1 | -55.9 | -71.1 | 0 | 0 | 0 | 113.3 | V365 K372 | V365-D368 WeakPolarHBondContact CG1-OD2 3.23Å; D368-K372 WeakPolarHBondContact O-CB 3.5Å; D368-K372 PolarHBondContact O-N 3.14Å |
| 369 | G | 68.1 | Low | 70 | Confident | 54 Ų | 54 | 110 Ų | 110 | 56% | 0.557 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -66.3 | -40.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q367 A373 | Q367-G369 PolarHBondContact O-N 3.29Å; G369-A373 WeakPolarHBondContact O-CB 3.5Å; G369-A373 PolarHBondContact O-N 3.26Å |
| 370 | D | 83.5 | Confident | 72.6 | Confident | 117 Ų | 117 | 108.6 Ų | 108.6 | 63% | 0.626 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -75 | -45.3 | 179.3 | -170.2 | 37.3 | 0 | 0 | 0 | 111.2 | Q367 K372 A373 Q374 | Q367-D370 PolarHBondContact O-N 2.96Å; D370-K372 VanDerWaalsContact C-N 3.3Å; D370-K372 PolarHBondContact O-N 2.94Å; D370-A373 CarbonylContact O-C 3.58Å; D370-A373 WeakPolarHBondContact O-CB 3.32Å; D370-A373 PolarHBondContact O-N 3.05Å; D370-A373 VanDerWaalsContact O-N 3.09Å; D370-Q374 WeakPolarHBondContact O-CB 3.37Å; D370-Q374 PolarHBondContact O-N 3.25Å |
| 371 | V | 89.3 | Confident | 75 | Confident | 67 Ų | 67 | 107.6 Ų | 107.6 | 41% | 0.406 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -60.4 | -39.6 | 174.1 | 176.5 | 0 | 0 | 0 | 0 | 111.2 | Q367 Q374 L375 | Q367-V371 PolarHBondContact O-N 3.4Å; V371-Q374 PolarHBondContact O-N 2.89Å; V371-L375 HydrophobicContact CG1-CD1 4.25Å; V371-L375 WeakPolarHBondContact O-CB 3.26Å; V371-L375 WeakPolarHBondContact O-CG 3.29Å; V371-L375 PolarHBondContact O-N 3.3Å |
| 372 | K | 86.4 | Confident | 77.9 | Confident | 153 Ų | 153 | 103.9 Ų | 103.9 | 67% | 0.665 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66.8 | -39.6 | 173.9 | -175 | 176.2 | -179.4 | 179.8 | 0 | 112.2 | D368 D370 L375 Q376 | D368-K372 WeakPolarHBondContact O-CB 3.5Å; D368-K372 PolarHBondContact O-N 3.14Å; D370-K372 VanDerWaalsContact C-N 3.3Å; D370-K372 PolarHBondContact O-N 2.94Å; K372-L375 PolarHBondContact O-N 2.87Å; K372-Q376 WeakPolarHBondContact O-CB 3.41Å; K372-Q376 PolarHBondContact O-N 3.18Å |
| 373 | A | 92.3 | Very high | 80 | Confident | 56 Ų | 56 | 99.9 Ų | 99.9 | 46% | 0.463 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.1 | -39.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G369 D370 Q376 A377 | G369-A373 WeakPolarHBondContact O-CB 3.5Å; G369-A373 PolarHBondContact O-N 3.26Å; D370-A373 CarbonylContact O-C 3.58Å; D370-A373 WeakPolarHBondContact O-CB 3.32Å; D370-A373 PolarHBondContact O-N 3.05Å; D370-A373 VanDerWaalsContact O-N 3.09Å; A373-Q376 PolarHBondContact O-N 2.87Å; A373-A377 WeakPolarHBondContact O-CB 3.45Å; A373-A377 PolarHBondContact O-N 2.76Å |
| 374 | Q | 93.3 | Very high | 82.3 | Confident | 117 Ų | 117 | 98.1 Ų | 98.1 | 55% | 0.547 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 174.8 | -174.7 | -176.7 | 2.3 | 0 | 0 | 111.7 | D370 V371 A377 M378 | D370-Q374 WeakPolarHBondContact O-CB 3.37Å; D370-Q374 PolarHBondContact O-N 3.25Å; V371-Q374 PolarHBondContact O-N 2.89Å; Q374-A377 PolarHBondContact O-N 3.38Å; Q374-M378 WeakPolarHBondContact O-CG 3.41Å; Q374-M378 PolarHBondContact O-N 2.92Å |
| 375 | L | 93.2 | Very high | 84.6 | Confident | 96 Ų | 96 | 96.1 Ų | 96.1 | 50% | 0.503 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61 | -46.5 | 174.4 | -73.6 | 169.3 | 0 | 0 | 0 | 111.1 | V371 K372 A377 M378 E379 | V371-L375 HydrophobicContact CG1-CD1 4.25Å; V371-L375 WeakPolarHBondContact O-CB 3.26Å; V371-L375 WeakPolarHBondContact O-CG 3.29Å; V371-L375 PolarHBondContact O-N 3.3Å; K372-L375 PolarHBondContact O-N 2.87Å; L375-A377 VanDerWaalsContact C-N 3.3Å; L375-A377 PolarHBondContact O-N 2.94Å; L375-M378 WeakPolarHBondContact O-CB 3.46Å; L375-M378 PolarHBondContact O-N 3.49Å; L375-M378 VanDerWaalsContact O-N 3.11Å; L375-E379 WeakPolarHBondContact O-CG 3.44Å; L375-E379 PolarHBondContact O-N 2.87Å |
| 376 | Q | 93.9 | Very high | 86.6 | Confident | 90 Ų | 90 | 97.1 Ų | 97.1 | 42% | 0.421 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.6 | -37.9 | 177.1 | -167.2 | 67 | 85.1 | 0 | 0 | 112.3 | K372 A373 E379 N380 | K372-Q376 WeakPolarHBondContact O-CB 3.41Å; K372-Q376 PolarHBondContact O-N 3.18Å; A373-Q376 PolarHBondContact O-N 2.87Å; Q376-E379 PolarHBondContact NE2-OE2 2.85Å; Q376-E379 PolarHBondContact O-N 3.11Å; Q376-N380 WeakPolarHBondContact O-CB 3.36Å; Q376-N380 PolarHBondContact O-N 3.42Å; Q376-N380 PolarHBondContact O-ND2 3.2Å |
| 377 | A | 94.3 | Very high | 88.9 | Confident | 57 Ų | 57 | 97 Ų | 97 | 47% | 0.471 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.7 | -37.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A373 Q374 L375 L381 | A373-A377 WeakPolarHBondContact O-CB 3.45Å; A373-A377 PolarHBondContact O-N 2.76Å; Q374-A377 PolarHBondContact O-N 3.38Å; L375-A377 VanDerWaalsContact C-N 3.3Å; L375-A377 PolarHBondContact O-N 2.94Å; A377-L381 VanDerWaalsContact O-CB 3.31Å; A377-L381 WeakPolarHBondContact O-CB 3.28Å; A377-L381 PolarHBondContact O-N 3.37Å |
| 378 | M | 95.8 | Very high | 90.9 | Very high | 98 Ų | 98 | 93.8 Ų | 93.8 | 48% | 0.483 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67 | -42.5 | 173.2 | -73.5 | -178.4 | 62.4 | 0 | 0 | 112.2 | Q374 L375 L381 I382 | Q374-M378 WeakPolarHBondContact O-CG 3.41Å; Q374-M378 PolarHBondContact O-N 2.92Å; L375-M378 WeakPolarHBondContact O-CB 3.46Å; L375-M378 PolarHBondContact O-N 3.49Å; L375-M378 VanDerWaalsContact O-N 3.11Å; M378-L381 PolarHBondContact O-N 3.48Å; M378-I382 WeakPolarHBondContact O-CB 3.29Å; M378-I382 WeakPolarHBondContact O-CD1 3.35Å; M378-I382 VanDerWaalsContact O-CG1 3.24Å; M378-I382 WeakPolarHBondContact O-CG1 3.46Å; M378-I382 PolarHBondContact O-N 2.91Å |
| 379 | E | 93.9 | Very high | 92.6 | Very high | 106 Ų | 106 | 93.2 Ų | 93.2 | 50% | 0.495 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.9 | -45.9 | 174 | -72.5 | 174.7 | -179.9 | 0 | 0 | 111.9 | L375 Q376 L381 I382 S383 | L375-E379 WeakPolarHBondContact O-CG 3.44Å; L375-E379 PolarHBondContact O-N 2.87Å; Q376-E379 PolarHBondContact NE2-OE2 2.85Å; Q376-E379 PolarHBondContact O-N 3.11Å; E379-L381 PolarHBondContact O-N 2.75Å; E379-I382 PolarHBondContact O-N 2.91Å; E379-S383 WeakPolarHBondContact O-CB 3.19Å; E379-S383 PolarHBondContact O-N 2.99Å; E379-S383 PolarHBondContact O-OG 3.22Å |
| 380 | N | 95.5 | Very high | 93.9 | Very high | 97 Ų | 97 | 98.1 Ų | 98.1 | 52% | 0.519 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 177 | -70.5 | -16.3 | 0 | 0 | 0 | 111.5 | Q376 S383 S384 | Q376-N380 WeakPolarHBondContact O-CB 3.36Å; Q376-N380 PolarHBondContact O-N 3.42Å; Q376-N380 PolarHBondContact O-ND2 3.2Å; N380-S383 PolarHBondContact O-N 2.87Å; N380-S384 VanDerWaalsContact O-CB 3.23Å; N380-S384 WeakPolarHBondContact O-CB 3.46Å; N380-S384 PolarHBondContact O-N 3.46Å |
| 381 | L | 95.8 | Very high | 94.6 | Very high | 122 Ų | 122 | 96.9 Ų | 96.9 | 64% | 0.639 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.8 | -43.3 | 175.8 | 178.5 | 61.8 | 0 | 0 | 0 | 111.9 | A377 M378 E379 S385 | A377-L381 VanDerWaalsContact O-CB 3.31Å; A377-L381 WeakPolarHBondContact O-CB 3.28Å; A377-L381 PolarHBondContact O-N 3.37Å; M378-L381 PolarHBondContact O-N 3.48Å; E379-L381 PolarHBondContact O-N 2.75Å; L381-S385 VanDerWaalsContact O-CB 3.31Å; L381-S385 WeakPolarHBondContact O-CB 3.38Å; L381-S385 PolarHBondContact O-N 2.78Å; L381-S385 PolarHBondContact O-OG 3.44Å |
| 382 | I | 95.4 | Very high | 94.9 | Very high | 103 Ų | 103 | 98.4 Ų | 98.4 | 53% | 0.528 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.9 | -49.3 | 176.5 | -71.8 | 163.7 | 0 | 0 | 0 | 109.9 | M378 E379 S384 S385 Q386 | M378-I382 WeakPolarHBondContact O-CB 3.29Å; M378-I382 WeakPolarHBondContact O-CD1 3.35Å; M378-I382 VanDerWaalsContact O-CG1 3.24Å; M378-I382 WeakPolarHBondContact O-CG1 3.46Å; M378-I382 PolarHBondContact O-N 2.91Å; E379-I382 PolarHBondContact O-N 2.91Å; I382-S384 PolarHBondContact O-N 2.73Å; I382-S385 PolarHBondContact O-N 3.35Å; I382-S385 PolarHBondContact O-OG 2.71Å; I382-Q386 WeakPolarHBondContact O-CB 3.48Å; I382-Q386 PolarHBondContact O-N 3.5Å |
| 383 | S | 96.8 | Very high | 95.1 | Very high | 66 Ų | 66 | 95.4 Ų | 95.4 | 46% | 0.462 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 179.3 | -55.4 | 0 | 0 | 0 | 0 | 112.1 | E379 N380 S385 Q386 E387 | E379-S383 WeakPolarHBondContact O-CB 3.19Å; E379-S383 PolarHBondContact O-N 2.99Å; E379-S383 PolarHBondContact O-OG 3.22Å; N380-S383 PolarHBondContact O-N 2.87Å; S383-S385 VanDerWaalsContact C-N 3.35Å; S383-S385 PolarHBondContact O-N 2.88Å; S383-Q386 WeakPolarHBondContact O-CB 3.24Å; S383-Q386 PolarHBondContact O-N 2.97Å; S383-E387 PolarHBondContact O-N 3.1Å |
| 384 | S | 96.7 | Very high | 95.2 | Very high | 68 Ų | 68 | 94.1 Ų | 94.1 | 48% | 0.476 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.9 | -39.3 | 175.1 | -178.9 | 0 | 0 | 0 | 0 | 112.2 | N380 I382 E387 T388 | N380-S384 VanDerWaalsContact O-CB 3.23Å; N380-S384 WeakPolarHBondContact O-CB 3.46Å; N380-S384 PolarHBondContact O-N 3.46Å; I382-S384 PolarHBondContact O-N 2.73Å; S384-E387 PolarHBondContact O-N 3.14Å; S384-T388 WeakPolarHBondContact O-CB 3.34Å; S384-T388 PolarHBondContact O-N 3.15Å; S384-T388 PolarHBondContact O-OG1 3.25Å |
| 385 | S | 95.8 | Very high | 95.4 | Very high | 51 Ų | 51 | 92 Ų | 92 | 36% | 0.357 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.5 | -37.8 | 174.6 | 80.8 | 0 | 0 | 0 | 0 | 112.1 | L381 I382 S383 T388 I389 | L381-S385 VanDerWaalsContact O-CB 3.31Å; L381-S385 WeakPolarHBondContact O-CB 3.38Å; L381-S385 PolarHBondContact O-N 2.78Å; L381-S385 PolarHBondContact O-OG 3.44Å; I382-S385 PolarHBondContact O-N 3.35Å; I382-S385 PolarHBondContact O-OG 2.71Å; S383-S385 VanDerWaalsContact C-N 3.35Å; S383-S385 PolarHBondContact O-N 2.88Å; S385-T388 PolarHBondContact O-N 2.78Å; S385-I389 WeakPolarHBondContact O-CB 3.22Å; S385-I389 WeakPolarHBondContact O-CD1 3.28Å; S385-I389 WeakPolarHBondContact O-CG1 3.49Å; S385-I389 PolarHBondContact O-N 2.82Å |
| 386 | Q | 96.6 | Very high | 95.2 | Very high | 135 Ų | 135 | 91.1 Ų | 91.1 | 63% | 0.631 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.2 | -43.7 | 177.7 | -172.7 | -173 | 22.3 | 0 | 0 | 111.1 | I382 S383 K390 | I382-Q386 WeakPolarHBondContact O-CB 3.48Å; I382-Q386 PolarHBondContact O-N 3.5Å; S383-Q386 WeakPolarHBondContact O-CB 3.24Å; S383-Q386 PolarHBondContact O-N 2.97Å; Q386-K390 VanDerWaalsContact O-CB 3.27Å; Q386-K390 WeakPolarHBondContact O-CB 3.44Å; Q386-K390 PolarHBondContact O-N 3.49Å |
| 387 | E | 96.8 | Very high | 95 | Very high | 135 Ų | 135 | 91.3 Ų | 91.3 | 63% | 0.631 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.6 | -43.8 | 174.2 | -177.4 | 159.9 | -135.2 | 0 | 0 | 111.8 | S383 S384 I389 K390 V391 | S383-E387 PolarHBondContact O-N 3.1Å; S384-E387 PolarHBondContact O-N 3.14Å; E387-I389 PolarHBondContact O-N 3.41Å; E387-K390 WeakPolarHBondContact O-CB 3.42Å; E387-K390 PolarHBondContact O-N 2.93Å; E387-K390 VanDerWaalsContact O-N 3.15Å; E387-V391 WeakPolarHBondContact O-CG2 3.5Å; E387-V391 PolarHBondContact O-N 3.35Å |
| 388 | T | 97.1 | Very high | 94.8 | Very high | 74 Ų | 74 | 95.6 Ų | 95.6 | 45% | 0.454 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.2 | -46.3 | 175.5 | -58 | 0 | 0 | 0 | 0 | 111.4 | S384 S385 V391 L392 | S384-T388 WeakPolarHBondContact O-CB 3.34Å; S384-T388 PolarHBondContact O-N 3.15Å; S384-T388 PolarHBondContact O-OG1 3.25Å; S385-T388 PolarHBondContact O-N 2.78Å; T388-V391 PolarHBondContact O-N 2.95Å; T388-L392 HydrophobicContact CG2-CD1 4.08Å; T388-L392 WeakPolarHBondContact O-CB 3.1Å; T388-L392 VanDerWaalsContact O-CG 3.29Å; T388-L392 WeakPolarHBondContact O-CG 3.41Å; T388-L392 PolarHBondContact O-N 2.93Å |
| 389 | I | 93.4 | Very high | 94.5 | Very high | 96 Ų | 96 | 96.7 Ų | 96.7 | 49% | 0.492 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 176 | -71.1 | 163.5 | 0 | 0 | 0 | 110.7 | S385 E387 V391 L392 L393 | S385-I389 WeakPolarHBondContact O-CB 3.22Å; S385-I389 WeakPolarHBondContact O-CD1 3.28Å; S385-I389 WeakPolarHBondContact O-CG1 3.49Å; S385-I389 PolarHBondContact O-N 2.82Å; E387-I389 PolarHBondContact O-N 3.41Å; I389-V391 PolarHBondContact O-N 3.35Å; I389-L392 PolarHBondContact O-N 2.88Å; I389-L393 HydrophobicContact CG2-CD1 3.81Å; I389-L393 HydrophobicContact CG2-CG 4.29Å; I389-L393 WeakPolarHBondContact O-CB 3.42Å; I389-L393 VanDerWaalsContact O-CG 3.25Å; I389-L393 WeakPolarHBondContact O-CG 3.24Å; I389-L393 PolarHBondContact O-N 2.86Å |
| 390 | K | 96.5 | Very high | 94.1 | Very high | 157 Ų | 157 | 95.9 Ų | 95.9 | 68% | 0.683 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.6 | -42.4 | 177.3 | -176.4 | -176 | 178.5 | -173.2 | 0 | 112.2 | Q386 E387 G394 | Q386-K390 VanDerWaalsContact O-CB 3.27Å; Q386-K390 WeakPolarHBondContact O-CB 3.44Å; Q386-K390 PolarHBondContact O-N 3.49Å; E387-K390 WeakPolarHBondContact O-CB 3.42Å; E387-K390 PolarHBondContact O-N 2.93Å; E387-K390 VanDerWaalsContact O-N 3.15Å; K390-G394 PolarHBondContact O-N 2.92Å |
| 391 | V | 97.4 | Very high | 93.7 | Very high | 90 Ų | 90 | 96.5 Ų | 96.5 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66 | -46.5 | 175 | 172.5 | 0 | 0 | 0 | 0 | 111 | E387 T388 I389 L393 G394 V395 | E387-V391 WeakPolarHBondContact O-CG2 3.5Å; E387-V391 PolarHBondContact O-N 3.35Å; T388-V391 PolarHBondContact O-N 2.95Å; I389-V391 PolarHBondContact O-N 3.35Å; V391-L393 PolarHBondContact O-N 2.95Å; V391-G394 WeakPolarHBondContact O-CA 3.49Å; V391-G394 PolarHBondContact O-N 3.12Å; V391-G394 VanDerWaalsContact O-N 3.12Å; V391-V395 WeakPolarHBondContact O-CG2 3.46Å; V391-V395 PolarHBondContact O-N 3.44Å |
| 392 | L | 96 | Very high | 93.3 | Very high | 100 Ų | 100 | 92.6 Ų | 92.6 | 52% | 0.524 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.3 | -43.4 | 177.3 | -72.7 | 170.5 | 0 | 0 | 0 | 112.2 | T388 I389 G394 V395 I396 | T388-L392 HydrophobicContact CG2-CD1 4.08Å; T388-L392 WeakPolarHBondContact O-CB 3.1Å; T388-L392 VanDerWaalsContact O-CG 3.29Å; T388-L392 WeakPolarHBondContact O-CG 3.41Å; T388-L392 PolarHBondContact O-N 2.93Å; I389-L392 PolarHBondContact O-N 2.88Å; L392-G394 VanDerWaalsContact C-N 3.32Å; L392-G394 PolarHBondContact O-N 3.49Å; L392-V395 PolarHBondContact O-N 2.92Å; L392-I396 WeakPolarHBondContact O-CB 3.47Å; L392-I396 WeakPolarHBondContact O-CD1 3.24Å; L392-I396 VanDerWaalsContact O-CG1 3.24Å; L392-I396 WeakPolarHBondContact O-CG1 3.27Å; L392-I396 PolarHBondContact O-N 3.15Å |
| 393 | L | 91.1 | Very high | 92.9 | Very high | 90 Ų | 90 | 92.1 Ų | 92.1 | 47% | 0.471 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63 | -37.5 | 174.4 | -72.4 | 171.4 | 0 | 0 | 0 | 111.9 | I389 V391 Q397 | I389-L393 HydrophobicContact CG2-CD1 3.81Å; I389-L393 HydrophobicContact CG2-CG 4.29Å; I389-L393 WeakPolarHBondContact O-CB 3.42Å; I389-L393 VanDerWaalsContact O-CG 3.25Å; I389-L393 WeakPolarHBondContact O-CG 3.24Å; I389-L393 PolarHBondContact O-N 2.86Å; V391-L393 PolarHBondContact O-N 2.95Å; L393-Q397 WeakPolarHBondContact O-CB 3.31Å; L393-Q397 WeakPolarHBondContact O-CG 3.43Å; L393-Q397 PolarHBondContact O-N 3.02Å |
| 394 | G | 94.8 | Very high | 92.2 | Very high | 29 Ų | 29 | 89.6 Ų | 89.6 | 30% | 0.299 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.5 | -51.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K390 V391 L392 I396 Q397 E398 | K390-G394 PolarHBondContact O-N 2.92Å; V391-G394 WeakPolarHBondContact O-CA 3.49Å; V391-G394 PolarHBondContact O-N 3.12Å; V391-G394 VanDerWaalsContact O-N 3.12Å; L392-G394 VanDerWaalsContact C-N 3.32Å; L392-G394 PolarHBondContact O-N 3.49Å; G394-I396 VanDerWaalsContact C-N 3.33Å; G394-I396 PolarHBondContact O-N 3.47Å; G394-Q397 PolarHBondContact O-N 2.92Å; G394-E398 PolarHBondContact O-N 3.19Å |
| 395 | V | 96.1 | Very high | 91.6 | Very high | 71 Ų | 71 | 92.5 Ų | 92.5 | 43% | 0.43 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.8 | -40.9 | 178.3 | 174.2 | 0 | 0 | 0 | 0 | 111.6 | V391 L392 E398 L399 | V391-V395 WeakPolarHBondContact O-CG2 3.46Å; V391-V395 PolarHBondContact O-N 3.44Å; L392-V395 PolarHBondContact O-N 2.92Å; V395-E398 PolarHBondContact O-N 2.82Å; V395-L399 HydrophobicContact CG1-CD1 3.97Å; V395-L399 HydrophobicContact CG1-CG 4.42Å; V395-L399 WeakPolarHBondContact O-CB 3.41Å; V395-L399 VanDerWaalsContact O-CG 3.29Å; V395-L399 WeakPolarHBondContact O-CG 3.29Å; V395-L399 PolarHBondContact O-N 2.72Å |
| 396 | I | 89.6 | Confident | 91 | Very high | 78 Ų | 78 | 97.8 Ų | 97.8 | 40% | 0.4 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.1 | -47.5 | 174.8 | -70.1 | 163.7 | 0 | 0 | 0 | 110.6 | L392 G394 E398 L399 E400 | L392-I396 WeakPolarHBondContact O-CB 3.47Å; L392-I396 WeakPolarHBondContact O-CD1 3.24Å; L392-I396 VanDerWaalsContact O-CG1 3.24Å; L392-I396 WeakPolarHBondContact O-CG1 3.27Å; L392-I396 PolarHBondContact O-N 3.15Å; G394-I396 VanDerWaalsContact C-N 3.33Å; G394-I396 PolarHBondContact O-N 3.47Å; I396-E398 VanDerWaalsContact C-N 3.31Å; I396-E398 PolarHBondContact O-N 2.69Å; I396-L399 PolarHBondContact O-N 2.66Å; I396-E400 HydrophobicContact CG2-CG 4.15Å; I396-E400 WeakPolarHBondContact CG2-OE1 3.49Å; I396-E400 WeakPolarHBondContact O-CB 3.25Å; I396-E400 WeakPolarHBondContact O-CG 3.38Å; I396-E400 PolarHBondContact O-N 2.78Å |
| 397 | Q | 89.1 | Confident | 90.4 | Very high | 94 Ų | 94 | 96.5 Ų | 96.5 | 44% | 0.439 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.1 | -34.8 | 178.1 | -70.6 | 175.5 | 32.5 | 0 | 0 | 112.7 | L393 G394 K401 | L393-Q397 WeakPolarHBondContact O-CB 3.31Å; L393-Q397 WeakPolarHBondContact O-CG 3.43Å; L393-Q397 PolarHBondContact O-N 3.02Å; G394-Q397 PolarHBondContact O-N 2.92Å; Q397-K401 WeakPolarHBondContact O-CB 3.31Å; Q397-K401 PolarHBondContact O-N 3.24Å |
| 398 | E | 90.9 | Very high | 89.7 | Confident | 148 Ų | 148 | 93.5 Ų | 93.5 | 69% | 0.692 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -68.6 | -41.2 | 174.4 | -72.3 | -172.8 | 167.3 | 0 | 0 | 112.4 | G394 V395 I396 G402 | G394-E398 PolarHBondContact O-N 3.19Å; V395-E398 PolarHBondContact O-N 2.82Å; I396-E398 VanDerWaalsContact C-N 3.31Å; I396-E398 PolarHBondContact O-N 2.69Å; E398-G402 PolarHBondContact O-N 3.46Å |
| 399 | L | 88.8 | Confident | 88.8 | Confident | 120 Ų | 120 | 95.3 Ų | 95.3 | 63% | 0.628 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.1 | -51.2 | 176.1 | -70.5 | 170.8 | 0 | 0 | 0 | 111.9 | V395 I396 K401 G402 E403 | V395-L399 HydrophobicContact CG1-CD1 3.97Å; V395-L399 HydrophobicContact CG1-CG 4.42Å; V395-L399 WeakPolarHBondContact O-CB 3.41Å; V395-L399 VanDerWaalsContact O-CG 3.29Å; V395-L399 WeakPolarHBondContact O-CG 3.29Å; V395-L399 PolarHBondContact O-N 2.72Å; I396-L399 PolarHBondContact O-N 2.66Å; L399-K401 VanDerWaalsContact C-N 3.29Å; L399-K401 PolarHBondContact O-N 2.82Å; L399-G402 PolarHBondContact O-N 2.82Å; L399-G402 VanDerWaalsContact O-N 3.17Å; L399-E403 VanDerWaalsContact O-CB 3.31Å; L399-E403 WeakPolarHBondContact O-CB 3.21Å; L399-E403 PolarHBondContact O-N 3.42Å |
| 400 | E | 86.4 | Confident | 88 | Confident | 90 Ų | 90 | 95 Ų | 95 | 42% | 0.421 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.8 | -38 | 177.4 | -69.8 | 179 | 173.5 | 0 | 0 | 111.9 | I396 A404 Y411 | I396-E400 HydrophobicContact CG2-CG 4.15Å; I396-E400 WeakPolarHBondContact CG2-OE1 3.49Å; I396-E400 WeakPolarHBondContact O-CB 3.25Å; I396-E400 WeakPolarHBondContact O-CG 3.38Å; I396-E400 PolarHBondContact O-N 2.78Å; E400-A404 WeakPolarHBondContact O-CB 3.49Å; E400-A404 PolarHBondContact O-N 2.68Å; E400-Y411 HydrophobicContact CB-CD2 4.1Å; E400-Y411 HydrophobicContact CB-CE2 3.56Å |
| 401 | K | 86.9 | Confident | 86.7 | Confident | 110 Ų | 110 | 90.3 Ų | 90.3 | 48% | 0.478 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.4 | -46.9 | 173.7 | -179.3 | -176.2 | 174.2 | -170.3 | 0 | 111.3 | Q397 L399 E403 A404 H405 Y411 | Q397-K401 WeakPolarHBondContact O-CB 3.31Å; Q397-K401 PolarHBondContact O-N 3.24Å; L399-K401 VanDerWaalsContact C-N 3.29Å; L399-K401 PolarHBondContact O-N 2.82Å; K401-E403 VanDerWaalsContact C-N 3.34Å; K401-A404 PolarHBondContact O-N 3.32Å; K401-H405 PolarHBondContact O-N 3.14Å; K401-H405 PolarHBondContact O-ND1 2.88Å; K401-Y411 HydrophobicContact CB-CD1 4Å; K401-Y411 HydrophobicContact CB-CD2 4.4Å; K401-Y411 HydrophobicContact CB-CE1 4.36Å; K401-Y411 HydrophobicContact CB-CG 4.01Å; K401-Y411 HydrophobicContact CG-CD1 4.23Å; K401-Y411 HydrophobicContact CG-CG 4.37Å |
| 402 | G | 88.1 | Confident | 85.4 | Confident | 40 Ų | 40 | 93.7 Ų | 93.7 | 41% | 0.412 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E398 L399 H405 R406 | E398-G402 PolarHBondContact O-N 3.46Å; L399-G402 PolarHBondContact O-N 2.82Å; L399-G402 VanDerWaalsContact O-N 3.17Å; G402-H405 PolarHBondContact O-N 3.36Å; G402-R406 WeakPolarHBondContact O-CB 3.36Å; G402-R406 PolarHBondContact O-N 2.83Å |
| 403 | E | 85.7 | Confident | 84.1 | Confident | 93 Ų | 93 | 93 Ų | 93 | 44% | 0.435 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.1 | -52.9 | 173 | -174.2 | 126 | -79.5 | 0 | 0 | 111.4 | L399 K401 H405 R406 E407 | L399-E403 VanDerWaalsContact O-CB 3.31Å; L399-E403 WeakPolarHBondContact O-CB 3.21Å; L399-E403 PolarHBondContact O-N 3.42Å; K401-E403 VanDerWaalsContact C-N 3.34Å; E403-H405 VanDerWaalsContact C-N 3.35Å; E403-H405 PolarHBondContact O-N 2.77Å; E403-R406 WeakPolarHBondContact O-CB 3.46Å; E403-R406 PolarHBondContact O-N 2.84Å; E403-R406 VanDerWaalsContact O-N 3.15Å; E403-R406 IonicContact OE1-CZ 3.89Å; E403-R406 IonicContact OE1-NH1 2.69Å; E403-R406 PolarHBondContact OE1-NH1 3.38Å; E403-R406 IonicContact OE1-NH2 2.73Å; E403-R406 PolarHBondContact OE1-NH2 2.86Å; E403-E407 PolarHBondContact O-N 3.22Å |
| 404 | A | 83.4 | Confident | 82.8 | Confident | 12 Ų | 12 | 92 Ų | 92 | 10% | 0.099 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -60.6 | -40.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E400 K401 R406 E407 G408 L409 | E400-A404 WeakPolarHBondContact O-CB 3.49Å; E400-A404 PolarHBondContact O-N 2.68Å; K401-A404 PolarHBondContact O-N 3.32Å; A404-R406 VanDerWaalsContact C-N 3.34Å; A404-R406 PolarHBondContact O-N 3.17Å; A404-E407 CarbonylContact O-C 3.55Å; A404-E407 PolarHBondContact O-N 2.97Å; A404-G408 PolarHBondContact O-N 3.33Å; A404-L409 CarbonylContact C-O 3.41Å; A404-L409 HydrophobicContact CB-CB 4.46Å; A404-L409 PolarHBondContact O-N 2.82Å; A404-L409 VanDerWaalsContact O-O 3.09Å |
| 405 | H | 83.6 | Confident | 81.2 | Confident | 129 Ų | 129 | 97 Ų | 97 | 60% | 0.597 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.1 | -36.9 | 176.5 | -74.9 | 60 | 0 | 0 | 0 | 112.2 | K401 G402 E403 E407 G408 | K401-H405 PolarHBondContact O-N 3.14Å; K401-H405 PolarHBondContact O-ND1 2.88Å; G402-H405 PolarHBondContact O-N 3.36Å; E403-H405 VanDerWaalsContact C-N 3.35Å; E403-H405 PolarHBondContact O-N 2.77Å; H405-E407 VanDerWaalsContact C-N 3.29Å; H405-G408 PolarHBondContact O-N 2.94Å |
| 406 | R | 83.5 | Confident | 79.7 | Confident | 162 Ų | 162 | 96.7 Ų | 96.7 | 61% | 0.611 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.7 | -31.3 | 175.1 | -176.1 | -168.2 | 71 | -138.1 | 3.1 | 112.2 | G402 E403 A404 | G402-R406 WeakPolarHBondContact O-CB 3.36Å; G402-R406 PolarHBondContact O-N 2.83Å; E403-R406 WeakPolarHBondContact O-CB 3.46Å; E403-R406 PolarHBondContact O-N 2.84Å; E403-R406 VanDerWaalsContact O-N 3.15Å; E403-R406 IonicContact OE1-CZ 3.89Å; E403-R406 IonicContact OE1-NH1 2.69Å; E403-R406 PolarHBondContact OE1-NH1 3.38Å; E403-R406 IonicContact OE1-NH2 2.73Å; E403-R406 PolarHBondContact OE1-NH2 2.86Å; A404-R406 VanDerWaalsContact C-N 3.34Å; A404-R406 PolarHBondContact O-N 3.17Å |
| 407 | E | 83.9 | Confident | 78.7 | Confident | 109 Ų | 109 | 96.9 Ų | 96.9 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 1.3 | -179.3 | -71 | 170.7 | -165.6 | 0 | 0 | 113.5 | E403 A404 H405 L409 | E403-E407 PolarHBondContact O-N 3.22Å; A404-E407 CarbonylContact O-C 3.55Å; A404-E407 PolarHBondContact O-N 2.97Å; H405-E407 VanDerWaalsContact C-N 3.29Å; E407-L409 HydrophobicContact CB-CD1 4.31Å; E407-L409 HydrophobicContact CB-CG 4.25Å; E407-L409 PolarHBondContact O-N 3.37Å |
| 408 | G | 81.1 | Confident | 77.9 | Confident | 72 Ų | 72 | 96.1 Ų | 96.1 | 74% | 0.742 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 10.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | A404 H405 | A404-G408 PolarHBondContact O-N 3.33Å; H405-G408 PolarHBondContact O-N 2.94Å |
| 409 | L | 79.3 | Confident | 77.1 | Confident | 111 Ų | 111 | 96 Ų | 96 | 58% | 0.581 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -93 | 146.1 | -178.2 | -61.3 | 178.2 | 0 | 0 | 0 | 111 | A404 E407 Y411 | A404-L409 CarbonylContact C-O 3.41Å; A404-L409 HydrophobicContact CB-CB 4.46Å; A404-L409 PolarHBondContact O-N 2.82Å; A404-L409 VanDerWaalsContact O-O 3.09Å; E407-L409 HydrophobicContact CB-CD1 4.31Å; E407-L409 HydrophobicContact CB-CG 4.25Å; E407-L409 PolarHBondContact O-N 3.37Å; L409-Y411 PolarHBondContact O-N 3.17Å |
| 410 | S | 75.3 | Confident | 76.7 | Confident | 89 Ų | 89 | 92 Ų | 92 | 62% | 0.622 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -73.8 | 117.1 | 171.1 | 70.3 | 0 | 0 | 0 | 0 | 109.7 | R412 | S410-R412 WeakPolarHBondContact O-CG 3.48Å; S410-R412 PolarHBondContact O-N 3.4Å |
| 411 | Y | 69.8 | Low | 76.5 | Confident | 59 Ų | 59 | 92.8 Ų | 92.8 | 23% | 0.231 | 52% | 0.518 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 126.6 | 172.4 | 173.9 | -116.3 | 0 | 0 | 0 | 111.1 | E400 K401 L409 T413 | E400-Y411 HydrophobicContact CB-CD2 4.1Å; E400-Y411 HydrophobicContact CB-CE2 3.56Å; K401-Y411 HydrophobicContact CB-CD1 4Å; K401-Y411 HydrophobicContact CB-CD2 4.4Å; K401-Y411 HydrophobicContact CB-CE1 4.36Å; K401-Y411 HydrophobicContact CB-CG 4.01Å; K401-Y411 HydrophobicContact CG-CD1 4.23Å; K401-Y411 HydrophobicContact CG-CG 4.37Å; L409-Y411 PolarHBondContact O-N 3.17Å; Y411-T413 WeakPolarHBondContact CE1-OG1 3.22Å; Y411-T413 PolarHBondContact OH-OG1 2.99Å |
| 412 | R | 69.8 | Low | 76.4 | Confident | 161 Ų | 161 | 90.9 Ų | 90.9 | 61% | 0.608 | 52% | 0.516 | S | S | * | . | trans | -144.3 | 86.7 | -171.2 | -77.4 | -68.5 | -178.1 | 164.9 | -0.8 | 111.3 | S410 Q415 | S410-R412 WeakPolarHBondContact O-CG 3.48Å; S410-R412 PolarHBondContact O-N 3.4Å; R412-Q415 HydrophobicContact CB-CG 4.07Å; R412-Q415 VanDerWaalsContact CD-OE1 3.31Å | ||
| 413 | T | 68.3 | Low | 76.1 | Confident | 86 Ų | 86 | 91.2 Ų | 91.2 | 53% | 0.528 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 136.7 | 178.1 | -30.2 | 0 | 0 | 0 | 0 | 111.7 | Y411 Q415 | Y411-T413 WeakPolarHBondContact CE1-OG1 3.22Å; Y411-T413 PolarHBondContact OH-OG1 2.99Å; T413-Q415 VanDerWaalsContact C-N 3.32Å; T413-Q415 PolarHBondContact O-N 2.87Å |
| 414 | G | 64.5 | Low | 76.2 | Confident | 70 Ų | 70 | 93.9 Ų | 93.9 | 72% | 0.722 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | 11 | 164.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | D416 | G414-D416 PolarHBondContact O-N 3.27Š|
| 415 | Q | 60.6 | Low | 76.3 | Confident | 132 Ų | 132 | 98 Ų | 98 | 62% | 0.617 | 54% | 0.538 | S | S | * | . | trans | -73.5 | -21.3 | -175.4 | -74.9 | -154.9 | -80.3 | 0 | 0 | 115.5 | R412 T413 | R412-Q415 HydrophobicContact CB-CG 4.07Å; R412-Q415 VanDerWaalsContact CD-OE1 3.31Å; T413-Q415 VanDerWaalsContact C-N 3.32Å; T413-Q415 PolarHBondContact O-N 2.87Å | ||
| 416 | D | 64.5 | Low | 76.4 | Confident | 66 Ų | 66 | 94 Ų | 94 | 35% | 0.353 | 52% | 0.524 | S | S | . | . | trans | -116.3 | 39.8 | -160.9 | -156.9 | 8.2 | 0 | 0 | 0 | 115.6 | G414 A418 N419 C420 C423 | G414-D416 PolarHBondContact O-N 3.27Å; D416-A418 PolarHBondContact O-N 2.79Å; D416-N419 WeakPolarHBondContact OD1-CA 3.15Å; D416-N419 WeakPolarHBondContact OD1-CB 3.1Å; D416-N419 PolarHBondContact OD1-N 2.72Å; D416-C420 HydrophobicContact CB-CB 4.15Å; D416-C420 VanDerWaalsContact O-CB 3.31Å; D416-C420 WeakPolarHBondContact O-CB 3.39Å; D416-C420 PolarHBondContact O-N 3.07Å; D416-C420 PolarHBondContact OD1-N 2.83Å; D416-C420 VanDerWaalsContact OD1-N 3.14Å; D416-C420 WeakPolarHBondContact OD2-CB 3.4Å; D416-C423 VanDerWaalsContact O-CB 3.24Å; D416-C423 WeakPolarHBondContact O-CB 3.01Å | ||
| 417 | T | 68.8 | Low | 76.5 | Confident | 82 Ų | 82 | 87.2 Ų | 87.2 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -11.3 | 169.7 | 50.7 | 0 | 0 | 0 | 0 | 113.5 | C423 A427 | T417-C423 HydrophobicContact CG2-CB 4.49Å; T417-A427 HydrophobicContact CG2-CB 4.48Å |
| 418 | A | 72.4 | Confident | 76.7 | Confident | 77 Ų | 77 | 85.2 Ų | 85.2 | 64% | 0.636 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -43 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D416 | D416-A418 PolarHBondContact O-N 2.79Š|
| 419 | N | 73.7 | Confident | 77.1 | Confident | 145 Ų | 145 | 83.5 Ų | 83.5 | 78% | 0.775 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | -12.6 | -172.9 | -41 | -24.2 | 0 | 0 | 0 | 113 | D416 | D416-N419 WeakPolarHBondContact OD1-CA 3.15Å; D416-N419 WeakPolarHBondContact OD1-CB 3.1Å; D416-N419 PolarHBondContact OD1-N 2.72Å |
| 420 | C | 80.4 | Confident | 77.5 | Confident | 37 Ų | 37 | 83.2 Ų | 83.2 | 25% | 0.25 | 47% | 0.472 | C | S | . | . | trans | -101.7 | 110.4 | 171.7 | -178.5 | 0 | 0 | 0 | 0 | 111.8 | D416 T422 C423 R424 | D416-C420 HydrophobicContact CB-CB 4.15Å; D416-C420 VanDerWaalsContact O-CB 3.31Å; D416-C420 WeakPolarHBondContact O-CB 3.39Å; D416-C420 PolarHBondContact O-N 3.07Å; D416-C420 PolarHBondContact OD1-N 2.83Å; D416-C420 VanDerWaalsContact OD1-N 3.14Å; D416-C420 WeakPolarHBondContact OD2-CB 3.4Å; C420-T422 PolarHBondContact O-N 2.89Å; C420-T422 VanDerWaalsContact O-N 3.15Å; C420-C423 HydrophobicContact CB-CB 4.02Å; C420-C423 PolarHBondContact O-N 2.75Å; C420-C423 VanDerWaalsContact O-N 3.1Å; C420-C423 VanDerWaalsContact SG-SG 3.66Å; C420-R424 PolarHBondContact O-N 3.46Å | ||
| 421 | D | 82.5 | Confident | 78.1 | Confident | 106 Ų | 106 | 86.4 Ų | 86.4 | 57% | 0.567 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -52.1 | -36.3 | 174.9 | -74.3 | -39.1 | 0 | 0 | 0 | 112.8 | R424 N425 | D421-R424 PolarHBondContact O-N 2.83Å; D421-N425 VanDerWaalsContact O-CB 3.32Å; D421-N425 WeakPolarHBondContact O-CB 3.41Å; D421-N425 VanDerWaalsContact O-CG 3.29Å; D421-N425 PolarHBondContact O-N 2.7Å; D421-N425 PolarHBondContact O-ND2 2.91Å |
| 422 | T | 84.6 | Confident | 79 | Confident | 71 Ų | 71 | 84.7 Ų | 84.7 | 44% | 0.436 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66 | -46.8 | 179.4 | -49.3 | 0 | 0 | 0 | 0 | 111 | C420 N425 S426 | C420-T422 PolarHBondContact O-N 2.89Å; C420-T422 VanDerWaalsContact O-N 3.15Å; T422-N425 PolarHBondContact O-N 3.44Å; T422-S426 PolarHBondContact O-N 3.21Å; T422-S426 PolarHBondContact O-OG 2.67Å |
| 423 | C | 82.6 | Confident | 79.9 | Confident | 47 Ų | 47 | 78.4 Ų | 78.4 | 32% | 0.318 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 177 | -63.9 | 0 | 0 | 0 | 0 | 111.5 | D416 T417 C420 S426 A427 | D416-C423 VanDerWaalsContact O-CB 3.24Å; D416-C423 WeakPolarHBondContact O-CB 3.01Å; T417-C423 HydrophobicContact CG2-CB 4.49Å; C420-C423 HydrophobicContact CB-CB 4.02Å; C420-C423 PolarHBondContact O-N 2.75Å; C420-C423 VanDerWaalsContact O-N 3.1Å; C420-C423 VanDerWaalsContact SG-SG 3.66Å; C423-S426 WeakPolarHBondContact CA-OG 3.35Å; C423-S426 PolarHBondContact O-N 2.73Å; C423-S426 PolarHBondContact O-OG 3.39Å; C423-A427 WeakPolarHBondContact O-CB 3.37Å; C423-A427 PolarHBondContact O-N 3Å |
| 424 | R | 87.6 | Confident | 80.9 | Confident | 148 Ų | 148 | 79.9 Ų | 79.9 | 56% | 0.558 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -60.4 | -48.6 | 174.7 | -174.3 | 177.8 | 175.6 | -178.4 | 0.1 | 111.8 | C420 D421 S426 A427 C428 | C420-R424 PolarHBondContact O-N 3.46Å; D421-R424 PolarHBondContact O-N 2.83Å; R424-S426 PolarHBondContact O-N 3Å; R424-A427 PolarHBondContact O-N 3.04Å; R424-C428 PolarHBondContact O-N 3.22Å; R424-C428 PolarHBondContact O-SG 3.37Å; R424-C428 VanDerWaalsContact O-SG 3.35Å |
| 425 | N | 86 | Confident | 82.2 | Confident | 100 Ų | 100 | 81.5 Ų | 81.5 | 54% | 0.535 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 177.4 | -77.6 | -55.5 | 0 | 0 | 0 | 112 | D421 T422 C428 I429 | D421-N425 VanDerWaalsContact O-CB 3.32Å; D421-N425 WeakPolarHBondContact O-CB 3.41Å; D421-N425 VanDerWaalsContact O-CG 3.29Å; D421-N425 PolarHBondContact O-N 2.7Å; D421-N425 PolarHBondContact O-ND2 2.91Å; T422-N425 PolarHBondContact O-N 3.44Å; N425-C428 PolarHBondContact O-N 3.01Å; N425-I429 WeakPolarHBondContact O-CG1 3.27Å; N425-I429 PolarHBondContact O-N 2.9Å |
| 426 | S | 85.8 | Confident | 83.6 | Confident | 43 Ų | 43 | 76.6 Ų | 76.6 | 30% | 0.301 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64 | -39.3 | 174.5 | 51.7 | 0 | 0 | 0 | 0 | 112.6 | T422 C423 R424 I429 I430 | T422-S426 PolarHBondContact O-N 3.21Å; T422-S426 PolarHBondContact O-OG 2.67Å; C423-S426 WeakPolarHBondContact CA-OG 3.35Å; C423-S426 PolarHBondContact O-N 2.73Å; C423-S426 PolarHBondContact O-OG 3.39Å; R424-S426 PolarHBondContact O-N 3Å; S426-I429 PolarHBondContact O-N 3Å; S426-I430 WeakPolarHBondContact O-CD1 3.32Å; S426-I430 VanDerWaalsContact O-CG1 3.28Å; S426-I430 WeakPolarHBondContact O-CG1 3.44Å; S426-I430 PolarHBondContact O-N 2.96Å |
| 427 | A | 85.9 | Confident | 84.8 | Confident | 20 Ų | 20 | 79 Ų | 79 | 17% | 0.165 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | T417 C423 R424 I429 I430 Y431 | T417-A427 HydrophobicContact CG2-CB 4.48Å; C423-A427 WeakPolarHBondContact O-CB 3.37Å; C423-A427 PolarHBondContact O-N 3Å; R424-A427 PolarHBondContact O-N 3.04Å; A427-I429 VanDerWaalsContact C-N 3.32Å; A427-I429 PolarHBondContact O-N 3.31Å; A427-I430 PolarHBondContact O-N 2.71Å; A427-Y431 HydrophobicContact CB-CD2 4.4Å; A427-Y431 HydrophobicContact CB-CE2 4.16Å; A427-Y431 WeakPolarHBondContact O-CD2 3.42Å; A427-Y431 PolarHBondContact O-N 3.44Å |
| 428 | C | 87.8 | Confident | 85.9 | Confident | 67 Ų | 67 | 79.4 Ų | 79.4 | 45% | 0.453 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.7 | -40.1 | 174.4 | -68.5 | 0 | 0 | 0 | 0 | 112.7 | R424 N425 S432 | R424-C428 PolarHBondContact O-N 3.22Å; R424-C428 PolarHBondContact O-SG 3.37Å; R424-C428 VanDerWaalsContact O-SG 3.35Å; N425-C428 PolarHBondContact O-N 3.01Å; C428-S432 VanDerWaalsContact O-CB 3.26Å; C428-S432 WeakPolarHBondContact O-CB 3.48Å; C428-S432 PolarHBondContact O-N 3.15Å; C428-S432 PolarHBondContact O-OG 3.06Å |
| 429 | I | 88.3 | Confident | 86.7 | Confident | 36 Ų | 36 | 79.5 Ų | 79.5 | 19% | 0.185 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -63.3 | -50.1 | 174.9 | -68.3 | 165.5 | 0 | 0 | 0 | 110.3 | V97 N425 S426 A427 S432 V433 | V97-I429 HydrophobicContact CG1-CD1 4.24Å; V97-I429 HydrophobicContact CG2-CD1 4.19Å; N425-I429 WeakPolarHBondContact O-CG1 3.27Å; N425-I429 PolarHBondContact O-N 2.9Å; S426-I429 PolarHBondContact O-N 3Å; A427-I429 VanDerWaalsContact C-N 3.32Å; A427-I429 PolarHBondContact O-N 3.31Å; I429-S432 PolarHBondContact O-N 3.47Å; I429-S432 PolarHBondContact O-OG 3.33Å; I429-V433 WeakPolarHBondContact O-CG2 3.28Å; I429-V433 PolarHBondContact O-N 3.2Å |
| 430 | I | 87.9 | Confident | 87.4 | Confident | 106 Ų | 106 | 76.8 Ų | 76.8 | 54% | 0.544 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -56.1 | -54.6 | 179.4 | -68.6 | 162.6 | 0 | 0 | 0 | 110.9 | S426 A427 S432 V433 E434 | S426-I430 WeakPolarHBondContact O-CD1 3.32Å; S426-I430 VanDerWaalsContact O-CG1 3.28Å; S426-I430 WeakPolarHBondContact O-CG1 3.44Å; S426-I430 PolarHBondContact O-N 2.96Å; A427-I430 PolarHBondContact O-N 2.71Å; I430-S432 VanDerWaalsContact C-N 3.27Å; I430-S432 PolarHBondContact O-N 3.43Å; I430-V433 PolarHBondContact O-N 3.29Å; I430-E434 WeakPolarHBondContact O-CB 3.29Å; I430-E434 PolarHBondContact O-N 3.17Å |
| 431 | Y | 88.8 | Confident | 87.7 | Confident | 156 Ų | 156 | 78.9 Ų | 78.9 | 61% | 0.612 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -63 | -32.1 | -179.5 | -67.8 | -51.7 | 0 | 0 | 0 | 113.1 | A427 E434 L435 | A427-Y431 HydrophobicContact CB-CD2 4.4Å; A427-Y431 HydrophobicContact CB-CE2 4.16Å; A427-Y431 WeakPolarHBondContact O-CD2 3.42Å; A427-Y431 PolarHBondContact O-N 3.44Å; Y431-E434 WeakPolarHBondContact CD1-OE2 3.3Å; Y431-L435 VanDerWaalsContact O-CB 3.29Å; Y431-L435 WeakPolarHBondContact O-CB 3.42Å; Y431-L435 PolarHBondContact O-N 2.69Å |
| 432 | S | 87.5 | Confident | 88.1 | Confident | 22 Ų | 22 | 77.5 Ų | 77.5 | 15% | 0.154 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -69.8 | -37.6 | 176.6 | 72.4 | 0 | 0 | 0 | 0 | 112.7 | L109 C428 I429 I430 D436 | L109-S432 WeakPolarHBondContact CD2-OG 3.31Å; C428-S432 VanDerWaalsContact O-CB 3.26Å; C428-S432 WeakPolarHBondContact O-CB 3.48Å; C428-S432 PolarHBondContact O-N 3.15Å; C428-S432 PolarHBondContact O-OG 3.06Å; I429-S432 PolarHBondContact O-N 3.47Å; I429-S432 PolarHBondContact O-OG 3.33Å; I430-S432 VanDerWaalsContact C-N 3.27Å; I430-S432 PolarHBondContact O-N 3.43Å; S432-D436 PolarHBondContact O-N 3.39Å; S432-D436 VanDerWaalsContact O-N 3.14Å |
| 433 | V | 89.1 | Confident | 88.4 | Confident | 30 Ų | 30 | 81.4 Ų | 81.4 | 18% | 0.182 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -71.7 | -40.2 | 174.2 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | L109 I429 I430 D436 F437 | L109-V433 HydrophobicContact CD1-CB 4.48Å; L109-V433 HydrophobicContact CD1-CG2 3.52Å; I429-V433 WeakPolarHBondContact O-CG2 3.28Å; I429-V433 PolarHBondContact O-N 3.2Å; I430-V433 PolarHBondContact O-N 3.29Å; V433-D436 PolarHBondContact O-N 2.9Å; V433-F437 HydrophobicContact CG1-CD2 3.73Å; V433-F437 HydrophobicContact CG1-CE2 3.49Å; V433-F437 VanDerWaalsContact CG1-CE2 3.49Å; V433-F437 VanDerWaalsContact O-CD2 3.23Å; V433-F437 WeakPolarHBondContact O-CD2 3.4Å; V433-F437 PolarHBondContact O-N 2.76Å |
| 434 | E | 90.1 | Very high | 88.6 | Confident | 117 Ų | 117 | 83.5 Ų | 83.5 | 55% | 0.547 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 175.2 | -174.1 | 177.4 | -171.9 | 0 | 0 | 111.6 | I430 Y431 F437 K438 | I430-E434 WeakPolarHBondContact O-CB 3.29Å; I430-E434 PolarHBondContact O-N 3.17Å; Y431-E434 WeakPolarHBondContact CD1-OE2 3.3Å; E434-F437 PolarHBondContact O-N 3.44Å; E434-K438 WeakPolarHBondContact O-CB 3.42Å; E434-K438 PolarHBondContact O-N 2.96Å |
| 435 | L | 90.9 | Very high | 88.6 | Confident | 104 Ų | 104 | 79.4 Ų | 79.4 | 55% | 0.545 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.9 | -41 | 175 | -179.2 | 61.8 | 0 | 0 | 0 | 112.2 | Y431 K438 L439 | Y431-L435 VanDerWaalsContact O-CB 3.29Å; Y431-L435 WeakPolarHBondContact O-CB 3.42Å; Y431-L435 PolarHBondContact O-N 2.69Å; L435-K438 WeakPolarHBondContact O-CB 3.29Å; L435-K438 PolarHBondContact O-N 3.4Å; L435-L439 HydrophobicContact CD1-CD1 4.31Å; L435-L439 HydrophobicContact CD1-CG 4.31Å; L435-L439 HydrophobicContact CG-CD1 4.06Å; L435-L439 HydrophobicContact CG-CG 4.49Å; L435-L439 WeakPolarHBondContact O-CB 3.39Å; L435-L439 VanDerWaalsContact O-CG 3.28Å; L435-L439 WeakPolarHBondContact O-CG 3.41Å; L435-L439 PolarHBondContact O-N 3.45Å |
| 436 | D | 90.3 | Very high | 88.7 | Confident | 28 Ų | 28 | 77.6 Ų | 77.6 | 15% | 0.15 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.1 | -41 | 175.8 | -82.5 | -32.6 | 0 | 0 | 0 | 112.6 | S106 L109 S432 V433 K438 L439 Q440 | S106-D436 WeakPolarHBondContact CB-OD2 3.46Å; S106-D436 VanDerWaalsContact OG-CG 3.27Å; S106-D436 PolarHBondContact OG-OD2 3.21Å; L109-D436 WeakPolarHBondContact CD1-OD2 3.37Å; L109-D436 VanDerWaalsContact CG-OD2 3.23Å; L109-D436 WeakPolarHBondContact CG-OD2 3.23Å; S432-D436 PolarHBondContact O-N 3.39Å; S432-D436 VanDerWaalsContact O-N 3.14Å; V433-D436 PolarHBondContact O-N 2.9Å; D436-K438 VanDerWaalsContact C-N 3.33Å; D436-L439 PolarHBondContact O-N 3.47Å; D436-Q440 VanDerWaalsContact O-CG 3.29Å; D436-Q440 WeakPolarHBondContact O-CG 3.15Å; D436-Q440 PolarHBondContact O-N 3.5Å |
| 437 | F | 89.6 | Confident | 88.7 | Confident | 118 Ų | 118 | 79.5 Ų | 79.5 | 52% | 0.518 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.8 | -40.5 | 172 | -79.6 | -59.2 | 0 | 0 | 0 | 111.5 | V433 E434 Q440 E441 | V433-F437 HydrophobicContact CG1-CD2 3.73Å; V433-F437 HydrophobicContact CG1-CE2 3.49Å; V433-F437 VanDerWaalsContact CG1-CE2 3.49Å; V433-F437 VanDerWaalsContact O-CD2 3.23Å; V433-F437 WeakPolarHBondContact O-CD2 3.4Å; V433-F437 PolarHBondContact O-N 2.76Å; E434-F437 PolarHBondContact O-N 3.44Å; F437-Q440 PolarHBondContact O-N 2.87Å; F437-Q440 VanDerWaalsContact O-N 3.16Å; F437-E441 WeakPolarHBondContact O-CB 3.46Å; F437-E441 PolarHBondContact O-N 3.33Å |
| 438 | K | 91.4 | Very high | 88.6 | Confident | 90 Ų | 90 | 83.7 Ų | 83.7 | 39% | 0.391 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 175 | -161.4 | 73.1 | -150.2 | 159 | 0 | 111.8 | E434 L435 D436 Q440 E441 D442 | E434-K438 WeakPolarHBondContact O-CB 3.42Å; E434-K438 PolarHBondContact O-N 2.96Å; L435-K438 WeakPolarHBondContact O-CB 3.29Å; L435-K438 PolarHBondContact O-N 3.4Å; D436-K438 VanDerWaalsContact C-N 3.33Å; K438-Q440 PolarHBondContact O-N 3.41Å; K438-E441 VanDerWaalsContact NZ-CD 3.26Å; K438-E441 IonicContact NZ-OE1 3.35Å; K438-E441 PolarHBondContact NZ-OE1 3.1Å; K438-E441 IonicContact NZ-OE2 2.82Å; K438-E441 PolarHBondContact NZ-OE2 3.21Å; K438-E441 WeakPolarHBondContact O-CB 3.33Å; K438-E441 PolarHBondContact O-N 3.47Å; K438-D442 WeakPolarHBondContact O-CB 3.36Å; K438-D442 VanDerWaalsContact O-CG 3.27Å; K438-D442 PolarHBondContact O-N 2.89Å |
| 439 | L | 90.3 | Very high | 88.5 | Confident | 78 Ų | 78 | 86.6 Ų | 86.6 | 41% | 0.408 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -68.4 | -15.4 | 176.5 | -69.7 | 171 | 0 | 0 | 0 | 114.1 | L435 D436 K443 | L435-L439 HydrophobicContact CD1-CD1 4.31Å; L435-L439 HydrophobicContact CD1-CG 4.31Å; L435-L439 HydrophobicContact CG-CD1 4.06Å; L435-L439 HydrophobicContact CG-CG 4.49Å; L435-L439 WeakPolarHBondContact O-CB 3.39Å; L435-L439 VanDerWaalsContact O-CG 3.28Å; L435-L439 WeakPolarHBondContact O-CG 3.41Å; L435-L439 PolarHBondContact O-N 3.45Å; D436-L439 PolarHBondContact O-N 3.47Å; L439-K443 WeakPolarHBondContact O-CD 3.46Å; L439-K443 VanDerWaalsContact O-CE 3.23Å; L439-K443 WeakPolarHBondContact O-CE 3.45Å; L439-K443 VanDerWaalsContact O-CG 3.31Å; L439-K443 WeakPolarHBondContact O-CG 3.31Å |
| 440 | Q | 87.6 | Confident | 88.3 | Confident | 89 Ų | 89 | 93.2 Ų | 93.2 | 42% | 0.416 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -86.6 | -44.2 | 169 | -71.2 | 171.6 | 29.7 | 0 | 0 | 111 | D436 F437 K438 D442 K443 L444 | D436-Q440 VanDerWaalsContact O-CG 3.29Å; D436-Q440 WeakPolarHBondContact O-CG 3.15Å; D436-Q440 PolarHBondContact O-N 3.5Å; F437-Q440 PolarHBondContact O-N 2.87Å; F437-Q440 VanDerWaalsContact O-N 3.16Å; K438-Q440 PolarHBondContact O-N 3.41Å; Q440-D442 PolarHBondContact O-N 3.49Å; Q440-K443 PolarHBondContact O-N 2.87Å; Q440-L444 PolarHBondContact O-N 2.93Å |
| 441 | E | 87.6 | Confident | 87.7 | Confident | 80 Ų | 80 | 95 Ų | 95 | 37% | 0.374 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -57.2 | -47.4 | 174.5 | -166 | -154.4 | 138.1 | 0 | 0 | 111.5 | F437 K438 K443 L444 Q445 | F437-E441 WeakPolarHBondContact O-CB 3.46Å; F437-E441 PolarHBondContact O-N 3.33Å; K438-E441 VanDerWaalsContact NZ-CD 3.26Å; K438-E441 IonicContact NZ-OE1 3.35Å; K438-E441 PolarHBondContact NZ-OE1 3.1Å; K438-E441 IonicContact NZ-OE2 2.82Å; K438-E441 PolarHBondContact NZ-OE2 3.21Å; K438-E441 WeakPolarHBondContact O-CB 3.33Å; K438-E441 PolarHBondContact O-N 3.47Å; E441-K443 PolarHBondContact O-N 3.28Å; E441-L444 CarbonylContact O-C 3.59Å; E441-L444 PolarHBondContact O-N 2.8Å; E441-Q445 HydrophobicContact CG-CG 4.45Å; E441-Q445 PolarHBondContact O-N 3.3Å; E441-Q445 PolarHBondContact OE1-NE2 3.32Å |
| 442 | D | 90.7 | Very high | 86.7 | Confident | 78 Ų | 78 | 92.2 Ų | 92.2 | 42% | 0.417 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.3 | -22.3 | -179.3 | -68.6 | -24.4 | 0 | 0 | 0 | 113 | K438 Q440 P446 | K438-D442 WeakPolarHBondContact O-CB 3.36Å; K438-D442 VanDerWaalsContact O-CG 3.27Å; K438-D442 PolarHBondContact O-N 2.89Å; Q440-D442 PolarHBondContact O-N 3.49Å; D442-P446 WeakPolarHBondContact O-CD 3.34Å |
| 443 | K | 91.1 | Very high | 85.4 | Confident | 152 Ų | 152 | 94.9 Ų | 94.9 | 66% | 0.661 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -85.5 | -30.3 | 172.3 | -68.9 | 170.6 | -168.5 | 162.4 | 0 | 112.5 | L439 Q440 E441 | L439-K443 WeakPolarHBondContact O-CD 3.46Å; L439-K443 VanDerWaalsContact O-CE 3.23Å; L439-K443 WeakPolarHBondContact O-CE 3.45Å; L439-K443 VanDerWaalsContact O-CG 3.31Å; L439-K443 WeakPolarHBondContact O-CG 3.31Å; Q440-K443 PolarHBondContact O-N 2.87Å; E441-K443 PolarHBondContact O-N 3.28Å |
| 444 | L | 86.6 | Confident | 84 | Confident | 92 Ų | 92 | 99.3 Ų | 99.3 | 48% | 0.482 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -80.1 | -35.5 | 178 | -175.9 | 60.2 | 0 | 0 | 0 | 112.1 | Q440 E441 L447 M448 | Q440-L444 PolarHBondContact O-N 2.93Å; E441-L444 CarbonylContact O-C 3.59Å; E441-L444 PolarHBondContact O-N 2.8Å; L444-L447 WeakPolarHBondContact O-CA 3.37Å; L444-L447 WeakPolarHBondContact O-CB 3.48Å; L444-L447 PolarHBondContact O-N 2.81Å; L444-M448 HydrophobicContact CD1-CG 4.3Å; L444-M448 HydrophobicContact CD2-SD 4.16Å; L444-M448 HydrophobicContact CG-CG 4.02Å; L444-M448 HydrophobicContact CG-SD 3.92Å; L444-M448 PolarHBondContact O-N 3.26Å |
| 445 | Q | 87.1 | Confident | 82.2 | Confident | 62 Ų | 62 | 99.2 Ų | 99.2 | 29% | 0.29 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -54 | -45.2 | 179.5 | -83 | -160.7 | 29.1 | 0 | 0 | 113.4 | E441 L447 M448 K449 | E441-Q445 HydrophobicContact CG-CG 4.45Å; E441-Q445 PolarHBondContact O-N 3.3Å; E441-Q445 PolarHBondContact OE1-NE2 3.32Å; Q445-L447 PolarHBondContact O-N 2.82Å; Q445-M448 PolarHBondContact O-N 3.39Å; Q445-K449 WeakPolarHBondContact O-CB 3.46Å; Q445-K449 VanDerWaalsContact O-CG 3.23Å; Q445-K449 WeakPolarHBondContact O-CG 3.28Å; Q445-K449 PolarHBondContact O-N 3.01Å |
| 446 | P | 87.6 | Confident | 80.2 | Confident | 62 Ų | 62 | 100.9 Ų | 100.9 | 40% | 0.403 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.4 | -13.2 | 175 | -22.1 | 34.5 | 0 | 0 | 0 | 115 | D442 R450 | D442-P446 WeakPolarHBondContact O-CD 3.34Å; P446-R450 PolarHBondContact O-NE 3.31Å; P446-R450 PolarHBondContact O-NH2 3.02Å |
| 447 | L | 87.6 | Confident | 77.9 | Confident | 82 Ų | 82 | 103.8 Ų | 103.8 | 43% | 0.429 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -87.4 | -47.2 | 170.2 | -67.6 | 165.2 | 0 | 0 | 0 | 109.9 | L444 Q445 K449 R450 L451 | L444-L447 WeakPolarHBondContact O-CA 3.37Å; L444-L447 WeakPolarHBondContact O-CB 3.48Å; L444-L447 PolarHBondContact O-N 2.81Å; Q445-L447 PolarHBondContact O-N 2.82Å; L447-K449 VanDerWaalsContact C-N 3.32Å; L447-K449 PolarHBondContact O-N 2.95Å; L447-R450 PolarHBondContact O-N 3.18Å; L447-L451 WeakPolarHBondContact O-CG 3.42Å; L447-L451 PolarHBondContact O-N 3.36Å |
| 448 | M | 82.6 | Confident | 75.7 | Confident | 108 Ų | 108 | 106.6 Ų | 106.6 | 53% | 0.532 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -57 | -43.2 | 175.1 | -66.5 | 179 | 75 | 0 | 0 | 112 | L444 Q445 R450 L451 C452 | L444-M448 HydrophobicContact CD1-CG 4.3Å; L444-M448 HydrophobicContact CD2-SD 4.16Å; L444-M448 HydrophobicContact CG-CG 4.02Å; L444-M448 HydrophobicContact CG-SD 3.92Å; L444-M448 PolarHBondContact O-N 3.26Å; Q445-M448 PolarHBondContact O-N 3.39Å; M448-R450 PolarHBondContact O-N 2.92Å; M448-L451 PolarHBondContact O-N 2.8Å; M448-C452 PolarHBondContact O-N 2.9Å |
| 449 | K | 85.9 | Confident | 73.4 | Confident | 129 Ų | 129 | 110.5 Ų | 110.5 | 56% | 0.561 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.4 | -10.4 | 176.1 | -68.2 | 167.6 | -170.9 | 171 | 0 | 114.6 | Q445 L447 | Q445-K449 WeakPolarHBondContact O-CB 3.46Å; Q445-K449 VanDerWaalsContact O-CG 3.23Å; Q445-K449 WeakPolarHBondContact O-CG 3.28Å; Q445-K449 PolarHBondContact O-N 3.01Å; L447-K449 VanDerWaalsContact C-N 3.32Å; L447-K449 PolarHBondContact O-N 2.95Å |
| 450 | R | 83.4 | Confident | 71.2 | Confident | 174 Ų | 174 | 112 Ų | 112 | 66% | 0.657 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -101.9 | -35.6 | 173.4 | -80.4 | -175.9 | -75.3 | 168.1 | -5.4 | 112.6 | P446 L447 M448 | P446-R450 PolarHBondContact O-NE 3.31Å; P446-R450 PolarHBondContact O-NH2 3.02Å; L447-R450 PolarHBondContact O-N 3.18Å; M448-R450 PolarHBondContact O-N 2.92Å |
| 451 | L | 76.9 | Confident | 69.2 | Low | 144 Ų | 144 | 113.6 Ų | 113.6 | 75% | 0.754 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -76.4 | -32.4 | 176.3 | -65.9 | 171.7 | 0 | 0 | 0 | 112.1 | L447 M448 P453 | L447-L451 WeakPolarHBondContact O-CG 3.42Å; L447-L451 PolarHBondContact O-N 3.36Å; M448-L451 PolarHBondContact O-N 2.8Å; L451-P453 WeakPolarHBondContact O-CD 3.33Å |
| 452 | C | 67.4 | Low | 67.6 | Low | 98 Ų | 98 | 117.2 Ų | 117.2 | 66% | 0.662 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -116.3 | 87.8 | 167.5 | -58 | 0 | 0 | 0 | 0 | 108.2 | M448 | M448-C452 PolarHBondContact O-N 2.9Š|
| 453 | P | 59.5 | Low | 65.3 | Low | 78 Ų | 78 | 119.9 Ų | 119.9 | 51% | 0.506 | 65% | 0.646 | S | S | . | * | trans | -56.8 | 148.9 | 169 | -21.5 | 33 | 0 | 0 | 0 | 110.5 | L451 T455 | L451-P453 WeakPolarHBondContact O-CD 3.33Å; P453-T455 PolarHBondContact O-N 2.98Å | ||
| 454 | P | 59.9 | Low | 62.8 | Low | 122 Ų | 122 | 121.8 Ų | 121.8 | 79% | 0.792 | 65% | 0.651 | S | S | * | * | trans | -74.3 | 66.4 | 167.1 | 33.7 | -34.9 | 0 | 0 | 0 | 109.8 | ||||
| 455 | T | 51.7 | Low | 61 | Low | 116 Ų | 116 | 121.3 Ų | 121.3 | 71% | 0.712 | 65% | 0.653 | S | S | * | * | trans | -60.4 | 131 | 157 | -58.5 | 0 | 0 | 0 | 0 | 107.1 | P453 S457 | P453-T455 PolarHBondContact O-N 2.98Å; T455-S457 PolarHBondContact O-N 3.33Å | ||
| 456 | D | 49.3 | Very low | 58.8 | Low | 138 Ų | 138 | 127.2 Ų | 127.2 | 74% | 0.738 | 68% | 0.681 | S | S | * | * | trans | -57.1 | 97.5 | -176 | -76.3 | -68.4 | 0 | 0 | 0 | 111.7 | H458 | D456-H458 VanDerWaalsContact C-N 3.29Å; D456-H458 PolarHBondContact O-CD2 3.47Å; D456-H458 PolarHBondContact O-N 3.12Å | ||
| 457 | S | 42.9 | Very low | 56.4 | Low | 89 Ų | 89 | 130 Ų | 130 | 62% | 0.622 | 69% | 0.689 | S | S | * | * | trans | -80.6 | 81.6 | -172.4 | -167.6 | 0 | 0 | 0 | 0 | 108.9 | T455 F459 | T455-S457 PolarHBondContact O-N 3.33Å; S457-F459 PolarHBondContact O-N 3.47Å; S457-F459 VanDerWaalsContact OG-CD2 3.24Å; S457-F459 WeakPolarHBondContact OG-CD2 3.45Å | ||
| 458 | H | 43.8 | Very low | 53.9 | Low | 178 Ų | 178 | 129.4 Ų | 129.4 | 82% | 0.824 | 70% | 0.695 | S | S | * | * | trans | -66.4 | 29.4 | 169.7 | -75 | -83.4 | 0 | 0 | 0 | 113.1 | D456 | D456-H458 VanDerWaalsContact C-N 3.29Å; D456-H458 PolarHBondContact O-CD2 3.47Å; D456-H458 PolarHBondContact O-N 3.12Å | ||
| 459 | F | 41.1 | Very low | 51.7 | Low | 172 Ų | 172 | 132.6 Ų | 132.6 | 75% | 0.754 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -75 | 132.4 | 170.3 | -81.5 | -105.5 | 0 | 0 | 0 | 109.2 | S457 | S457-F459 PolarHBondContact O-N 3.47Å; S457-F459 VanDerWaalsContact OG-CD2 3.24Å; S457-F459 WeakPolarHBondContact OG-CD2 3.45Å |
| 460 | P | 45.6 | Very low | 49.3 | Very low | 108 Ų | 108 | 131.9 Ų | 131.9 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 142.7 | 169.1 | -23.4 | 33.7 | 0 | 0 | 0 | 110.4 | L462 | P460-L462 PolarHBondContact O-N 3.06Š|
| 461 | P | 45.7 | Very low | 47 | Very low | 124 Ų | 124 | 129.1 Ų | 129.1 | 81% | 0.805 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 125.4 | 174 | -25.9 | 34.6 | 0 | 0 | 0 | 110.7 | ||
| 462 | L | 52.4 | Low | 45.3 | Very low | 155 Ų | 155 | 127.5 Ų | 127.5 | 81% | 0.812 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 133.7 | 174.3 | -86 | 161.2 | 0 | 0 | 0 | 109.2 | P460 Y464 | P460-L462 PolarHBondContact O-N 3.06Å; L462-Y464 PolarHBondContact O-N 3.18Å |
| 463 | P | 43.4 | Very low | 43.8 | Very low | 135 Ų | 135 | 128.8 Ų | 128.8 | 88% | 0.877 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -77.4 | 28.7 | -169.4 | 33 | -38 | 0 | 0 | 0 | 113.8 | ||
| 464 | Y | 39.4 | Very low | 42.6 | Very low | 192 Ų | 192 | 134.7 Ų | 134.7 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -113.7 | 124.9 | 179.2 | -165.9 | -96.1 | 0 | 0 | 0 | 110.4 | L462 Q466 | L462-Y464 PolarHBondContact O-N 3.18Å; Y464-Q466 PolarHBondContact O-N 2.83Å |
| 465 | P | 47.3 | Very low | 41.7 | Very low | 82 Ų | 82 | 140.2 Ų | 140.2 | 53% | 0.532 | 75% | 0.747 | S | S | . | * | trans | -63.3 | 124.4 | 176.3 | -19.7 | 31.9 | 0 | 0 | 0 | 110.9 | E467 | P465-E467 PolarHBondContact O-N 2.83Š| ||
| 466 | Q | 42.3 | Very low | 41 | Very low | 185 Ų | 185 | 144.8 Ų | 144.8 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | trans | -72.4 | 85.7 | 165.5 | -172.8 | 168.9 | -9.2 | 0 | 0 | 108.4 | Y464 A468 | Y464-Q466 PolarHBondContact O-N 2.83Å; Q466-A468 PolarHBondContact O-N 3Å | ||
| 467 | E | 37.1 | Very low | 40.5 | Very low | 122 Ų | 122 | 143.7 Ų | 143.7 | 57% | 0.57 | 76% | 0.76 | S | S | * | * | trans | -61.9 | 79.1 | 173.6 | -78 | -71.6 | 130.3 | 0 | 0 | 110.3 | P465 F469 | P465-E467 PolarHBondContact O-N 2.83Å; E467-F469 VanDerWaalsContact C-N 3.28Å; E467-F469 HydrophobicContact CB-CD2 4.19Å; E467-F469 HydrophobicContact CB-CE2 3.68Å; E467-F469 HydrophobicContact CB-CZ 3.9Å; E467-F469 HydrophobicContact CG-CZ 4.39Å; E467-F469 WeakPolarHBondContact O-CD2 3.3Å; E467-F469 PolarHBondContact O-N 3.38Å | ||
| 468 | A | 34.4 | Very low | 40.3 | Very low | 69 Ų | 69 | 149.4 Ų | 149.4 | 57% | 0.57 | 77% | 0.773 | S | S | * | * | trans | -69.2 | 88.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | Q466 T470 | Q466-A468 PolarHBondContact O-N 3Å; A468-T470 PolarHBondContact O-N 3.45Å; A468-T470 PolarHBondContact O-OG1 3.41Å | ||
| 469 | F | 36.9 | Very low | 40.1 | Very low | 174 Ų | 174 | 145.4 Ų | 145.4 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | trans | -63.3 | 63.1 | 179.3 | -73 | -74.2 | 0 | 0 | 0 | 113 | E467 S471 | E467-F469 VanDerWaalsContact C-N 3.28Å; E467-F469 HydrophobicContact CB-CD2 4.19Å; E467-F469 HydrophobicContact CB-CE2 3.68Å; E467-F469 HydrophobicContact CB-CZ 3.9Å; E467-F469 HydrophobicContact CG-CZ 4.39Å; E467-F469 WeakPolarHBondContact O-CD2 3.3Å; E467-F469 PolarHBondContact O-N 3.38Å; F469-S471 PolarHBondContact O-N 3.39Å | ||
| 470 | T | 34.7 | Very low | 39.6 | Very low | 115 Ų | 115 | 145 Ų | 145 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | -75.2 | 76.3 | 171.2 | 46.7 | 0 | 0 | 0 | 0 | 108.5 | A468 T472 | A468-T470 PolarHBondContact O-N 3.45Å; A468-T470 PolarHBondContact O-OG1 3.41Å; T470-T472 PolarHBondContact O-N 3.42Å | ||
| 471 | S | 36.3 | Very low | 39.3 | Very low | 115 Ų | 115 | 145.8 Ų | 145.8 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -67.8 | 71.2 | -169.7 | 62.6 | 0 | 0 | 0 | 0 | 113.5 | F469 | F469-S471 PolarHBondContact O-N 3.39Š| ||
| 472 | T | 39.3 | Very low | 39.5 | Very low | 110 Ų | 110 | 148.6 Ų | 148.6 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | trans | -125.2 | 120.8 | 171.8 | 58.7 | 0 | 0 | 0 | 0 | 109.1 | T470 K474 | T470-T472 PolarHBondContact O-N 3.42Å; T472-K474 PolarHBondContact O-N 3.17Å | ||
| 473 | P | 36.7 | Very low | 39.2 | Very low | 126 Ų | 126 | 150.2 Ų | 150.2 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -71.1 | 102.2 | -178.5 | 27.1 | -33 | 0 | 0 | 0 | 109.9 | R475 | P473-R475 VanDerWaalsContact C-N 3.28Å; P473-R475 PolarHBondContact O-N 3.24Å | ||
| 474 | K | 34.6 | Very low | 39 | Very low | 202 Ų | 202 | 152.3 Ų | 152.3 | 88% | 0.878 | 78% | 0.777 | S | S | * | * | trans | -66.7 | 76.5 | -172.4 | -153.1 | 168.1 | -169.6 | 169.5 | 0 | 112.1 | T472 K476 | T472-K474 PolarHBondContact O-N 3.17Å; K474-K476 PolarHBondContact O-N 3.35Å | ||
| 475 | R | 40.5 | Very low | 39.1 | Very low | 238 Ų | 238 | 148.5 Ų | 148.5 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | trans | -57 | 123.1 | 177.3 | -89.7 | -171 | 162.8 | -156.4 | -5.2 | 110.3 | P473 S477 | P473-R475 VanDerWaalsContact C-N 3.28Å; P473-R475 PolarHBondContact O-N 3.24Å; R475-S477 PolarHBondContact O-N 3.15Å; R475-S477 VanDerWaalsContact O-N 3.1Å | ||
| 476 | K | 38.2 | Very low | 39.1 | Very low | 211 Ų | 211 | 154.9 Ų | 154.9 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | trans | -72.7 | 98.7 | 176.5 | -61.2 | -174.2 | 180 | -175.2 | 0 | 110 | K474 | K474-K476 PolarHBondContact O-N 3.35Š| ||
| 477 | S | 38.4 | Very low | 38.8 | Very low | 115 Ų | 115 | 157.4 Ų | 157.4 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 117.2 | 172.9 | 51.3 | 0 | 0 | 0 | 0 | 110.9 | R475 | R475-S477 PolarHBondContact O-N 3.15Å; R475-S477 VanDerWaalsContact O-N 3.1Å |
| 478 | K | 38.9 | Very low | 39.1 | Very low | 209 Ų | 209 | 160 Ų | 160 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 165.4 | 158.3 | -91.8 | -168.8 | 171.7 | -172.6 | 0 | 110.2 | ||
| 479 | A | 38.8 | Very low | 39.2 | Very low | 94 Ų | 94 | 164.4 Ų | 164.4 | 78% | 0.777 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 150.7 | -155.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 480 | E | 31.6 | Very low | 39.4 | Very low | 164 Ų | 164 | 166.6 Ų | 166.6 | 77% | 0.766 | 83% | 0.827 | S | S | * | * | trans | 60.1 | 115.2 | 142.5 | -160.1 | 159.4 | 157.4 | 0 | 0 | 121.3 | ||||
| 481 | S | 38.7 | Very low | 39.3 | Very low | 125 Ų | 125 | 169.8 Ų | 169.8 | 87% | 0.874 | 83% | 0.831 | S | S | * | * | trans | -149.7 | 101.9 | 146.4 | -76.1 | 0 | 0 | 0 | 0 | 109.1 | K483 | S481-K483 PolarHBondContact O-N 2.75Š| ||
| 482 | K | 50.1 | Low | 39.2 | Very low | 183 Ų | 183 | 176.3 Ų | 176.3 | 80% | 0.796 | 86% | 0.855 | S | S | * | * | trans | -75.2 | 106.2 | -172.4 | 177.7 | -179.9 | -177.8 | 173.9 | 0 | 112.4 | ||||
| 483 | K | 45.8 | Very low | 39.2 | Very low | 188 Ų | 188 | 179.6 Ų | 179.6 | 82% | 0.817 | 86% | 0.864 | S | S | * | * | trans | -170.4 | 142.7 | 153.7 | -102.1 | 141.5 | -165.6 | 179.9 | 0 | 114.2 | S481 | S481-K483 PolarHBondContact O-N 2.75Š| ||
| 484 | H | 38.4 | Very low | 39.3 | Very low | 180 Ų | 180 | 182.4 Ų | 182.4 | 83% | 0.833 | 87% | 0.867 | S | S | * | * | trans | 48.7 | 85.6 | 167.3 | -62 | -70.6 | 0 | 0 | 0 | 120 | R486 | H484-R486 PolarHBondContact O-N 3.24Š| ||
| 485 | A | 42.9 | Very low | 39.6 | Very low | 112 Ų | 112 | 181.3 Ų | 181.3 | 93% | 0.926 | 87% | 0.866 | S | S | * | * | trans | -77.9 | 107.6 | 157.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 486 | R | 46.5 | Very low | 39.5 | Very low | 216 Ų | 216 | 178 Ų | 178 | 82% | 0.815 | 86% | 0.864 | S | S | * | * | trans | -158.6 | 59.5 | 165.3 | -156.2 | -174.6 | -171.7 | -104.2 | 8.4 | 114.9 | H484 | H484-R486 PolarHBondContact O-N 3.24Š| ||
| 487 | W | 35.1 | Very low | 39.6 | Very low | 237 Ų | 237 | 175.9 Ų | 175.9 | 90% | 0.898 | 86% | 0.861 | S | S | * | * | trans | -121.1 | 110.7 | 158.6 | -71.3 | 87.9 | 0 | 0 | 0 | 108.3 | ||||
| 488 | K | 44.8 | Very low | 39.7 | Very low | 178 Ų | 178 | 180 Ų | 180 | 77% | 0.774 | 87% | 0.865 | S | S | * | * | trans | -78.7 | 157.6 | 178.7 | -73.4 | -169.9 | 173.7 | -170 | 0 | 110.1 | W490 | K488-W490 PolarHBondContact O-N 3.46Š| ||
| 489 | L | 36.7 | Very low | 39.7 | Very low | 161 Ų | 161 | 177.9 Ų | 177.9 | 84% | 0.843 | 86% | 0.862 | S | S | * | * | trans | -55.1 | 131.3 | 167.5 | -65.8 | 158.5 | 0 | 0 | 0 | 109.8 | ||||
| 490 | W | 39.8 | Very low | 39.8 | Very low | 220 Ų | 220 | 184.4 Ų | 184.4 | 83% | 0.833 | 87% | 0.868 | S | S | * | * | trans | -94.8 | 93.7 | 171.2 | -75.3 | 88.6 | 0 | 0 | 0 | 109.1 | K488 | K488-W490 PolarHBondContact O-N 3.46Š| ||
| 491 | F | 33.6 | Very low | 40.5 | Very low | 182 Ų | 182 | 186.1 Ų | 186.1 | 80% | 0.798 | 88% | 0.877 | S | S | * | * | trans | -142.3 | 107.7 | 166.9 | -80.5 | -74.7 | 0 | 0 | 0 | 108.8 | ||||
| 492 | L | 33.5 | Very low | 40.7 | Very low | 251 Ų | 251 | 191.6 Ų | 191.6 | 100% | 1.314 | 88% | 0.877 | S | S | * | * | trans | -170.5 | 0 | 161.1 | -106.8 | 162.5 | 0 | 0 | 0 | 107.9 |
Retrieved 492 of 492 residues in 213 ms
(Link to these results)