| 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 | 40.2 | Very low | 34.7 | Very low | 238 Ų | 238 | 145.6 Ų | 145.6 | 100% | 1.172 | 79% | 0.788 | S | S | * | * | 0 | 153.7 | 0 | -74.6 | -177.7 | -143.6 | 0 | 0 | 108 | |||||
| 2 | V | 32.2 | Very low | 34.6 | Very low | 136 Ų | 136 | 140.9 Ų | 140.9 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | trans | 89.1 | 91.6 | -175.8 | -166 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 3 | E | 32.8 | Very low | 35.5 | Very low | 158 Ų | 158 | 138.8 Ų | 138.8 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | 68.9 | 115.7 | 82.6 | -72.4 | -128.8 | 123.4 | 0 | 0 | 112.3 | |||||
| 4 | M | 35.8 | Very low | 35.2 | Very low | 161 Ų | 161 | 140.3 Ų | 140.3 | 79% | 0.793 | 78% | 0.784 | S | S | * | * | 90 | 112.8 | 66.7 | -159.6 | 151.2 | 92 | 0 | 0 | 112.6 | |||||
| 5 | S | 34.5 | Very low | 35 | Very low | 98 Ų | 98 | 140.2 Ų | 140.2 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | trans | 75.6 | 151.2 | 150.4 | -135.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 6 | D | 36.3 | Very low | 34.9 | Very low | 141 Ų | 141 | 139.7 Ų | 139.7 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | trans | 88.3 | 101.9 | 158 | -53.9 | -20.9 | 0 | 0 | 0 | 116.9 | ||||
| 7 | M | 36.3 | Very low | 35 | Very low | 173 Ų | 173 | 142.2 Ų | 142.2 | 85% | 0.852 | 77% | 0.773 | S | S | * | * | 69.1 | 123.2 | 67 | -146.4 | -155.5 | 171.4 | 0 | 0 | 112.7 | |||||
| 8 | V | 37.1 | Very low | 35 | Very low | 105 Ų | 105 | 139.4 Ų | 139.4 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | trans | 105.1 | 121 | 148.7 | -171.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 9 | C | 32.3 | Very low | 34.8 | Very low | 102 Ų | 102 | 135.7 Ų | 135.7 | 69% | 0.689 | 77% | 0.769 | S | S | * | * | trans | 75.1 | 145.5 | 148.9 | -76.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 10 | L | 30.9 | Very low | 34.5 | Very low | 139 Ų | 139 | 134.5 Ų | 134.5 | 73% | 0.728 | 77% | 0.77 | S | S | * | * | cis | -179.2 | 163.1 | -11.4 | -111 | 174.5 | 0 | 0 | 0 | 104.1 | ||||
| 11 | L | 33.8 | Very low | 34.5 | Very low | 151 Ų | 151 | 134 Ų | 134 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | 87.7 | 93.5 | 162.8 | -44.2 | -177 | 0 | 0 | 0 | 115.6 | ||||
| 12 | A | 33.4 | Very low | 34.2 | Very low | 89 Ų | 89 | 131.3 Ų | 131.3 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | 79.9 | 162.3 | 75.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 13 | P | 45.8 | Very low | 34.4 | Very low | 114 Ų | 114 | 133.8 Ų | 133.8 | 74% | 0.74 | 76% | 0.762 | S | S | * | * | cis | -137.2 | 172.4 | -45.4 | 36.7 | -20.2 | 0 | 0 | 0 | 112.3 | ||||
| 14 | L | 31 | Very low | 34.3 | Very low | 159 Ų | 159 | 130.7 Ų | 130.7 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | -167.3 | 93.6 | 150.6 | -102.4 | 151.6 | 0 | 0 | 0 | 107.5 | ||||
| 15 | L | 32.9 | Very low | 34 | Very low | 139 Ų | 139 | 129.9 Ų | 129.9 | 73% | 0.728 | 76% | 0.762 | S | S | * | * | 56.5 | 110.2 | 106.7 | -81.1 | 164.4 | 0 | 0 | 0 | 113.5 | |||||
| 16 | M | 33.2 | Very low | 34.1 | Very low | 132 Ų | 132 | 131.2 Ų | 131.2 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | 166.4 | 130.7 | 105 | -89.4 | -50.2 | -141.2 | 0 | 0 | 114.1 | |||||
| 17 | F | 36 | Very low | 33.7 | Very low | 182 Ų | 182 | 134.3 Ų | 134.3 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | trans | 65.1 | 144.4 | 157.2 | -55.1 | -64 | 0 | 0 | 0 | 119.6 | ||||
| 18 | A | 36.1 | Very low | 33.4 | Very low | 92 Ų | 92 | 130.9 Ų | 130.9 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | cis | -177.1 | 145.2 | -18.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 19 | G | 30 | Very low | 32.9 | Very low | 69 Ų | 69 | 131.9 Ų | 131.9 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | 74.7 | 93 | 152.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 20 | S | 29.9 | Very low | 33.1 | Very low | 111 Ų | 111 | 138 Ų | 138 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | 67.4 | 88.6 | 89 | -55.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 21 | T | 35 | Very low | 32.8 | Very low | 125 Ų | 125 | 139.9 Ų | 139.9 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | 62.6 | 116.8 | 96.4 | 61.6 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 22 | L | 32.1 | Very low | 32.6 | Very low | 181 Ų | 181 | 136.6 Ų | 136.6 | 95% | 0.948 | 78% | 0.78 | S | S | * | * | trans | -149 | 128.7 | 133.4 | -87.4 | -173.9 | 0 | 0 | 0 | 111 | ||||
| 23 | Q | 37.1 | Very low | 32.9 | Very low | 188 Ų | 188 | 142 Ų | 142 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | trans | -106.2 | 138.9 | 171.9 | -177.2 | 179.6 | 20.6 | 0 | 0 | 106.4 | ||||
| 24 | A | 30.3 | Very low | 32.2 | Very low | 93 Ų | 93 | 145.4 Ų | 145.4 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | 157.4 | 150.8 | 157.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 25 | D | 29.2 | Very low | 32.4 | Very low | 145 Ų | 145 | 143.7 Ų | 143.7 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | cis | -169.8 | 153.6 | -27 | -146.2 | -53.3 | 0 | 0 | 0 | 104.7 | ||||
| 26 | V | 38.4 | Very low | 32.3 | Very low | 126 Ų | 126 | 139.6 Ų | 139.6 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | trans | 5.4 | 127.4 | 166.5 | 171.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 27 | K | 26 | Very low | 32.6 | Very low | 206 Ų | 206 | 137.9 Ų | 137.9 | 90% | 0.896 | 78% | 0.779 | S | S | * | * | -156 | 121.4 | 126.1 | -152 | 165 | -175.6 | 173.7 | 0 | 114.2 | |||||
| 28 | S | 30.1 | Very low | 33 | Very low | 101 Ų | 101 | 136.6 Ų | 136.6 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | -53.5 | 132.4 | 171 | 153.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 29 | V | 26.7 | Very low | 33.5 | Very low | 126 Ų | 126 | 137 Ų | 137 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | trans | -140 | 105.4 | 138.1 | 178.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 30 | R | 36.5 | Very low | 34.1 | Very low | 231 Ų | 231 | 140 Ų | 140 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | trans | -58.8 | 127.7 | 148.3 | -99.2 | 176.3 | 158.5 | 173.5 | -5.3 | 107.2 | ||||
| 31 | E | 25.3 | Very low | 34.6 | Very low | 178 Ų | 178 | 139.2 Ų | 139.2 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | trans | -165.6 | 111.2 | 141.1 | -109.4 | 165.8 | -174.7 | 0 | 0 | 111.2 | ||||
| 32 | A | 29.4 | Very low | 34.9 | Very low | 81 Ų | 81 | 140.7 Ų | 140.7 | 67% | 0.669 | 74% | 0.742 | S | S | * | * | trans | 46.3 | 107.8 | 142.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | K34 | A32-K34 VanDerWaalsContact C-N 3.28Å; A32-K34 PolarHBondContact O-N 3.2Å | ||
| 33 | E | 39.1 | Very low | 35.3 | Very low | 202 Ų | 202 | 138.8 Ų | 138.8 | 94% | 0.944 | 73% | 0.728 | S | S | * | * | 20.6 | 73.4 | 74.5 | -97.7 | -162.8 | 140.5 | 0 | 0 | 113.1 | |||||
| 34 | K | 31.8 | Very low | 35.8 | Very low | 187 Ų | 187 | 135.8 Ų | 135.8 | 81% | 0.813 | 71% | 0.709 | S | S | * | * | trans | -153.2 | 78.7 | 151.9 | -141.2 | 173 | -174.8 | -176.3 | 0 | 109 | A32 G36 | A32-K34 VanDerWaalsContact C-N 3.28Å; A32-K34 PolarHBondContact O-N 3.2Å; K34-G36 PolarHBondContact O-N 2.87Å | ||
| 35 | S | 34.9 | Very low | 36.3 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 85% | 0.853 | 69% | 0.69 | S | S | * | * | trans | -64.6 | 83.2 | 151.6 | 58.5 | 0 | 0 | 0 | 0 | 106.2 | N37 | S35-N37 PolarHBondContact O-N 3.24Å; S35-N37 VanDerWaalsContact O-N 3.13Å | ||
| 36 | G | 30.6 | Very low | 36.7 | Very low | 54 Ų | 54 | 130 Ų | 130 | 56% | 0.557 | 67% | 0.668 | S | S | * | * | trans | -61.3 | 116.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | K34 F38 | K34-G36 PolarHBondContact O-N 2.87Å; G36-F38 PolarHBondContact O-N 3.04Å | ||
| 37 | N | 41.1 | Very low | 37 | Very low | 96 Ų | 96 | 127 Ų | 127 | 51% | 0.513 | 65% | 0.65 | S | S | . | * | trans | -46.6 | 106.6 | 160.2 | -87 | -15.6 | 0 | 0 | 0 | 107.8 | S35 M39 E40 | S35-N37 PolarHBondContact O-N 3.24Å; S35-N37 VanDerWaalsContact O-N 3.13Å; N37-M39 PolarHBondContact O-N 3.3Å; N37-E40 HydrophobicContact CB-CB 3.9Å; N37-E40 HydrophobicContact CB-CG 3.61Å; N37-E40 VanDerWaalsContact ND2-CD 3.33Å; N37-E40 PolarHBondContact ND2-OE1 3.43Å; N37-E40 PolarHBondContact O-N 3.25Å | ||
| 38 | F | 42.8 | Very low | 37.6 | Very low | 154 Ų | 154 | 120.1 Ų | 120.1 | 68% | 0.675 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -8.5 | 172.8 | 177 | -103.8 | 0 | 0 | 0 | 112.2 | G36 | G36-F38 PolarHBondContact O-N 3.04Š|
| 39 | M | 47.8 | Very low | 38 | Very low | 100 Ų | 100 | 117.3 Ų | 117.3 | 49% | 0.493 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.7 | -2.2 | 174.1 | -75.5 | 172.8 | -160.6 | 0 | 0 | 115.3 | N37 W44 A269 | N37-M39 PolarHBondContact O-N 3.3Å; M39-W44 VanDerWaalsContact O-CD1 3.26Å; M39-W44 PolarHBondContact O-NE1 2.03Å; M39-A269 HydrophobicContact CE-CB 3.61Å; M39-A269 HydrophobicContact SD-CB 3.65Å |
| 40 | E | 42.6 | Very low | 38.5 | Very low | 133 Ų | 133 | 116.9 Ų | 116.9 | 62% | 0.621 | 59% | 0.592 | S | S | * | * | trans | -87.1 | -5.5 | 178 | -86.4 | 173.8 | -177.9 | 0 | 0 | 113.9 | N37 E42 | N37-E40 HydrophobicContact CB-CB 3.9Å; N37-E40 HydrophobicContact CB-CG 3.61Å; N37-E40 VanDerWaalsContact ND2-CD 3.33Å; N37-E40 PolarHBondContact ND2-OE1 3.43Å; N37-E40 PolarHBondContact O-N 3.25Å; E40-E42 PolarHBondContact O-N 2.03Å | ||
| 41 | D | 38.8 | Very low | 38.5 | Very low | 94 Ų | 94 | 112.8 Ų | 112.8 | 50% | 0.503 | 58% | 0.578 | S | S | . | * | trans | -70 | 96.7 | 174.5 | -70.3 | -26.5 | 0 | 0 | 0 | 109.2 | Q43 W44 | D41-Q43 HydrophobicContact CB-CB 4.21Å; D41-Q43 CarbonylContact O-C 3.09Å; D41-Q43 WeakPolarHBondContact O-CA 3.48Å; D41-Q43 PolarHBondContact O-N 2.92Å; D41-W44 PolarHBondContact O-N 3.15Å | ||
| 42 | E | 42.3 | Very low | 39.2 | Very low | 156 Ų | 156 | 108.8 Ų | 108.8 | 73% | 0.729 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.9 | -8.8 | 170.4 | -67 | -140.3 | 144 | 0 | 0 | 114.3 | E40 W44 L45 S46 | E40-E42 PolarHBondContact O-N 2.03Å; E42-W44 PolarHBondContact O-N 3.33Å; E42-L45 PolarHBondContact O-N 3.09Å; E42-S46 PolarHBondContact O-N 2.95Å |
| 43 | Q | 40.2 | Very low | 39.5 | Very low | 141 Ų | 141 | 113.4 Ų | 113.4 | 66% | 0.659 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -56.5 | -28.4 | 164 | -152 | 161.4 | 12 | 0 | 0 | 113.7 | D41 S46 T47 | D41-Q43 HydrophobicContact CB-CB 4.21Å; D41-Q43 CarbonylContact O-C 3.09Å; D41-Q43 WeakPolarHBondContact O-CA 3.48Å; D41-Q43 PolarHBondContact O-N 2.92Å; Q43-S46 PolarHBondContact O-N 3.27Å; Q43-S46 PolarHBondContact O-OG 3.07Å; Q43-T47 PolarHBondContact O-N 3.49Å; Q43-T47 PolarHBondContact O-OG1 3.26Å |
| 44 | W | 47.2 | Very low | 39.4 | Very low | 126 Ų | 126 | 112.9 Ų | 112.9 | 48% | 0.477 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -71.4 | -40.1 | 176.9 | 78.1 | -104.7 | 0 | 0 | 0 | 112.6 | M39 D41 E42 S46 T47 I48 | M39-W44 VanDerWaalsContact O-CD1 3.26Å; M39-W44 PolarHBondContact O-NE1 2.03Å; D41-W44 PolarHBondContact O-N 3.15Å; E42-W44 PolarHBondContact O-N 3.33Å; W44-S46 VanDerWaalsContact C-N 3.29Å; W44-S46 PolarHBondContact O-N 3.31Å; W44-T47 PolarHBondContact O-N 2.95Å; W44-I48 HydrophobicContact CE3-CD1 3.64Å; W44-I48 HydrophobicContact CZ3-CD1 3.73Å; W44-I48 PolarHBondContact O-N 3.46Å |
| 45 | L | 41.6 | Very low | 39.8 | Very low | 72 Ų | 72 | 108.2 Ų | 108.2 | 38% | 0.377 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.4 | -31.4 | 173.5 | -72.4 | 172.3 | 0 | 0 | 0 | 112.2 | E42 S49 | E42-L45 PolarHBondContact O-N 3.09Å; L45-S49 PolarHBondContact O-N 2.9Å; L45-S49 PolarHBondContact O-OG 3.46Å |
| 46 | S | 37.7 | Very low | 39.9 | Very low | 45 Ų | 45 | 112.3 Ų | 112.3 | 32% | 0.315 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -70.7 | -32.4 | 177.1 | 80.6 | 0 | 0 | 0 | 0 | 112.6 | E42 Q43 W44 S49 Q50 | E42-S46 PolarHBondContact O-N 2.95Å; Q43-S46 PolarHBondContact O-N 3.27Å; Q43-S46 PolarHBondContact O-OG 3.07Å; W44-S46 VanDerWaalsContact C-N 3.29Å; W44-S46 PolarHBondContact O-N 3.31Å; S46-S49 PolarHBondContact O-OG 2.91Å; S46-Q50 WeakPolarHBondContact O-CB 3.45Å; S46-Q50 WeakPolarHBondContact O-CG 3.07Å; S46-Q50 PolarHBondContact O-N 3.49Å |
| 47 | T | 43.9 | Very low | 40 | Very low | 62 Ų | 62 | 116 Ų | 116 | 38% | 0.38 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -74.2 | -43 | -179 | -54.7 | 0 | 0 | 0 | 0 | 110.8 | Q43 W44 S49 Q50 Y51 | Q43-T47 PolarHBondContact O-N 3.49Å; Q43-T47 PolarHBondContact O-OG1 3.26Å; W44-T47 PolarHBondContact O-N 2.95Å; T47-S49 PolarHBondContact O-N 3.22Å; T47-Q50 PolarHBondContact O-N 3.23Å; T47-Y51 HydrophobicContact CG2-CD2 3.79Å; T47-Y51 HydrophobicContact CG2-CE2 3.77Å; T47-Y51 WeakPolarHBondContact O-CD2 2.98Å; T47-Y51 PolarHBondContact O-N 3.37Å |
| 48 | I | 40 | Very low | 39.7 | Very low | 61 Ų | 61 | 122.1 Ų | 122.1 | 31% | 0.313 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.6 | -42.9 | 176.4 | -65.3 | 171.2 | 0 | 0 | 0 | 111.3 | W44 S52 | W44-I48 HydrophobicContact CE3-CD1 3.64Å; W44-I48 HydrophobicContact CZ3-CD1 3.73Å; W44-I48 PolarHBondContact O-N 3.46Å; I48-S52 PolarHBondContact O-N 2.88Å |
| 49 | S | 37.3 | Very low | 39.3 | Very low | 42 Ų | 42 | 122.2 Ų | 122.2 | 29% | 0.294 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -75 | -23.1 | 176.6 | 70.6 | 0 | 0 | 0 | 0 | 114.1 | L45 S46 T47 S52 R53 | L45-S49 PolarHBondContact O-N 2.9Å; L45-S49 PolarHBondContact O-OG 3.46Å; S46-S49 PolarHBondContact O-OG 2.91Å; T47-S49 PolarHBondContact O-N 3.22Å; S49-S52 PolarHBondContact O-OG 3.19Å; S49-S52 VanDerWaalsContact O-OG 3.09Å; S49-R53 PolarHBondContact O-NE 3.31Å |
| 50 | Q | 37.5 | Very low | 38.6 | Very low | 117 Ų | 117 | 126.6 Ų | 126.6 | 55% | 0.547 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -77.5 | -36.1 | 173 | -83.3 | 177.8 | -4.4 | 0 | 0 | 112.4 | S46 T47 R53 K54 | S46-Q50 WeakPolarHBondContact O-CB 3.45Å; S46-Q50 WeakPolarHBondContact O-CG 3.07Å; S46-Q50 PolarHBondContact O-N 3.49Å; T47-Q50 PolarHBondContact O-N 3.23Å; Q50-R53 PolarHBondContact O-N 3.26Å; Q50-K54 PolarHBondContact O-N 3Å; Q50-K54 VanDerWaalsContact O-N 3.09Å |
| 51 | Y | 37.2 | Very low | 37.9 | Very low | 146 Ų | 146 | 129.5 Ų | 129.5 | 57% | 0.573 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68.9 | -38.8 | 173.7 | -89.1 | -85.9 | 0 | 0 | 0 | 112.1 | T47 R53 K54 I55 | T47-Y51 HydrophobicContact CG2-CD2 3.79Å; T47-Y51 HydrophobicContact CG2-CE2 3.77Å; T47-Y51 WeakPolarHBondContact O-CD2 2.98Å; T47-Y51 PolarHBondContact O-N 3.37Å; Y51-R53 PolarHBondContact O-N 3.48Å; Y51-K54 PolarHBondContact O-N 3.49Å; Y51-I55 HydrophobicContact CD1-CD1 4.13Å; Y51-I55 PolarHBondContact O-N 2.66Å |
| 52 | S | 38.6 | Very low | 37.7 | Very low | 93 Ų | 93 | 135.4 Ų | 135.4 | 65% | 0.65 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.4 | -25.9 | 174 | 80.8 | 0 | 0 | 0 | 0 | 113.7 | I48 S49 | I48-S52 PolarHBondContact O-N 2.88Å; S49-S52 PolarHBondContact O-OG 3.19Å; S49-S52 VanDerWaalsContact O-OG 3.09Å |
| 53 | R | 36.3 | Very low | 37.3 | Very low | 178 Ų | 178 | 135 Ų | 135 | 67% | 0.672 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -94 | -20.6 | 179.8 | -75.4 | -173.6 | -74.1 | -156 | -1.8 | 114.6 | S49 Q50 Y51 | S49-R53 PolarHBondContact O-NE 3.31Å; Q50-R53 PolarHBondContact O-N 3.26Å; Y51-R53 PolarHBondContact O-N 3.48Å |
| 54 | K | 38.1 | Very low | 37.1 | Very low | 191 Ų | 191 | 135.8 Ų | 135.8 | 83% | 0.83 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -97.8 | -18.8 | -178 | -106.9 | -178.7 | 177.7 | 178.7 | 0 | 114.9 | Q50 Y51 K56 | Q50-K54 PolarHBondContact O-N 3Å; Q50-K54 VanDerWaalsContact O-N 3.09Å; Y51-K54 PolarHBondContact O-N 3.49Å; K54-K56 PolarHBondContact O-N 3Å |
| 55 | I | 38.8 | Very low | 36.6 | Very low | 90 Ų | 90 | 137.3 Ų | 137.3 | 46% | 0.462 | 64% | 0.642 | S | S | . | * | trans | -97.2 | 81.2 | 172.5 | -56.1 | 173.5 | 0 | 0 | 0 | 108.6 | Y51 H57 | Y51-I55 HydrophobicContact CD1-CD1 4.13Å; Y51-I55 PolarHBondContact O-N 2.66Å; I55-H57 HydrophobicContact CG2-CB 4.23Å; I55-H57 PolarHBondContact O-N 2.95Å | ||
| 56 | K | 37.6 | Very low | 36.4 | Very low | 208 Ų | 208 | 144.6 Ų | 144.6 | 90% | 0.904 | 67% | 0.666 | S | S | * | * | trans | -65.5 | 22.4 | 167.2 | -91.4 | -175.6 | 173.8 | -178.1 | 0 | 113.5 | K54 | K54-K56 PolarHBondContact O-N 3Š| ||
| 57 | H | 31.8 | Very low | 36.3 | Very low | 130 Ų | 130 | 147.3 Ų | 147.3 | 60% | 0.602 | 68% | 0.681 | S | S | * | * | trans | -134.2 | 39.9 | -166.7 | -162.9 | -77.6 | 0 | 0 | 0 | 113.9 | I55 | I55-H57 HydrophobicContact CG2-CB 4.23Å; I55-H57 PolarHBondContact O-N 2.95Å | ||
| 58 | W | 35.2 | Very low | 35.9 | Very low | 225 Ų | 225 | 155.1 Ų | 155.1 | 85% | 0.852 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -124.4 | -2.2 | 165.6 | -87.6 | 82.7 | 0 | 0 | 0 | 115.1 | R60 | W58-R60 PolarHBondContact O-N 2.82Š|
| 59 | N | 34.8 | Very low | 35.7 | Very low | 157 Ų | 157 | 158.1 Ų | 158.1 | 84% | 0.84 | 72% | 0.724 | S | S | * | * | trans | -94.9 | 62.5 | 167.9 | -67.9 | -9.9 | 0 | 0 | 0 | 110.8 | ||||
| 60 | R | 32.3 | Very low | 35.5 | Very low | 192 Ų | 192 | 167.4 Ų | 167.4 | 73% | 0.725 | 75% | 0.753 | S | S | * | * | trans | -102.1 | 20.8 | 175.7 | -168.9 | 147.4 | 176.9 | 122.5 | 2.3 | 114.5 | W58 | W58-R60 PolarHBondContact O-N 2.82Š| ||
| 61 | F | 29 | Very low | 35.1 | Very low | 193 Ų | 193 | 168.4 Ų | 168.4 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -139 | 119.4 | 155.4 | -75.9 | -78.7 | 0 | 0 | 0 | 109.5 | ||
| 62 | R | 34.7 | Very low | 35.1 | Very low | 218 Ų | 218 | 170.8 Ų | 170.8 | 82% | 0.823 | 78% | 0.778 | S | S | * | * | trans | 84.1 | 97.9 | -175.7 | -57.1 | 170.4 | 73.4 | 144.7 | 0.8 | 113.5 | ||||
| 63 | D | 32.5 | Very low | 35.2 | Very low | 147 Ų | 147 | 173.3 Ų | 173.3 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | -159.7 | 134.5 | 76.9 | -79.7 | -37.6 | 0 | 0 | 0 | 110 | D65 | D63-D65 PolarHBondContact O-N 3.45Š| |||
| 64 | D | 37.2 | Very low | 35 | Very low | 159 Ų | 159 | 174 Ų | 174 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -59.3 | 116.8 | 152.5 | -77.8 | -57.7 | 0 | 0 | 0 | 107 | ||||
| 65 | D | 37.2 | Very low | 34.8 | Very low | 157 Ų | 157 | 168.1 Ų | 168.1 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | trans | -169 | 94.6 | 139.9 | -91.1 | -24.6 | 0 | 0 | 0 | 109.2 | D63 V67 | D63-D65 PolarHBondContact O-N 3.45Å; D65-V67 PolarHBondContact O-N 2.94Å | ||
| 66 | Y | 35.9 | Very low | 34.9 | Very low | 226 Ų | 226 | 169.1 Ų | 169.1 | 89% | 0.886 | 81% | 0.805 | S | S | * | * | trans | -43.8 | 111.8 | 148 | 178.8 | -99.9 | 0 | 0 | 0 | 108.9 | ||||
| 67 | V | 36.9 | Very low | 34.6 | Very low | 102 Ų | 102 | 167 Ų | 167 | 62% | 0.618 | 80% | 0.803 | S | S | * | * | trans | 159 | 129.6 | 142.4 | 161.3 | 0 | 0 | 0 | 0 | 111.6 | D65 | D65-V67 PolarHBondContact O-N 2.94Š| ||
| 68 | R | 35 | Very low | 35.5 | Very low | 226 Ų | 226 | 168.3 Ų | 168.3 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | trans | 84.3 | 74.9 | 164.1 | -78.2 | 171.6 | -165.6 | 152.6 | 3.1 | 119.2 | ||||
| 69 | T | 36.6 | Very low | 36.1 | Very low | 124 Ų | 124 | 165.2 Ų | 165.2 | 76% | 0.761 | 82% | 0.815 | S | S | * | * | -69.3 | 144.3 | 120.5 | 31.3 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 70 | W | 31.5 | Very low | 36.9 | Very low | 237 Ų | 237 | 160.2 Ų | 160.2 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | trans | 89.7 | 94.1 | 165.4 | -57.6 | 7.7 | 0 | 0 | 0 | 116.3 | ||||
| 71 | D | 30.5 | Very low | 37.8 | Very low | 138 Ų | 138 | 154.4 Ų | 154.4 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | -174.7 | 89.9 | 115.8 | -120.5 | -43.9 | 0 | 0 | 0 | 111.3 | |||||
| 72 | E | 37.3 | Very low | 39.1 | Very low | 195 Ų | 195 | 149.1 Ų | 149.1 | 91% | 0.911 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -100.7 | 76.8 | 151.2 | -90.7 | -167.7 | 133.5 | 0 | 0 | 107.1 | ||
| 73 | N | 40.4 | Very low | 40.1 | Very low | 146 Ų | 146 | 143.8 Ų | 143.8 | 78% | 0.781 | 75% | 0.748 | S | S | * | * | trans | 165.6 | 94.6 | 141.2 | -103.2 | -31.4 | 0 | 0 | 0 | 110.5 | ||||
| 74 | Q | 32.6 | Very low | 41.6 | Very low | 192 Ų | 192 | 142.7 Ų | 142.7 | 90% | 0.897 | 74% | 0.737 | S | S | * | * | trans | -157.7 | 135.2 | 138.1 | -117.3 | 167 | 15.4 | 0 | 0 | 110.8 | ||||
| 75 | G | 32.6 | Very low | 43 | Very low | 69 Ų | 69 | 139.5 Ų | 139.5 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | trans | -75 | -179.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 76 | S | 40.5 | Very low | 44.6 | Very low | 111 Ų | 111 | 133.6 Ų | 133.6 | 78% | 0.776 | 69% | 0.69 | S | S | * | * | trans | 52.8 | 97 | 164.2 | 67.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 77 | N | 32.9 | Very low | 46.4 | Very low | 163 Ų | 163 | 124 Ų | 124 | 87% | 0.872 | 66% | 0.655 | S | S | * | * | -156.9 | 120.1 | 118.8 | -97.7 | -33.9 | 0 | 0 | 0 | 109.1 | N79 | N77-N79 PolarHBondContact O-N 3.44Š| |||
| 78 | D | 50.3 | Low | 48.2 | Very low | 157 Ų | 157 | 126.7 Ų | 126.7 | 84% | 0.84 | 66% | 0.661 | S | S | * | * | trans | -57.6 | 99.7 | 172.6 | -76.3 | -64.1 | 0 | 0 | 0 | 110.3 | V80 | D78-V80 HydrophobicContact CB-CG2 4.29Š| ||
| 79 | N | 46.8 | Very low | 49.7 | Very low | 160 Ų | 160 | 125.3 Ų | 125.3 | 86% | 0.856 | 66% | 0.662 | S | S | * | * | trans | -116.4 | 95.5 | 155.4 | -157.7 | 1.6 | 0 | 0 | 0 | 107.5 | N77 D81 | N77-N79 PolarHBondContact O-N 3.44Å; N79-D81 PolarHBondContact O-N 2.91Å | ||
| 80 | V | 52.2 | Low | 51.7 | Low | 53 Ų | 53 | 122.3 Ų | 122.3 | 32% | 0.321 | 64% | 0.643 | S | S | . | * | trans | -81.1 | 112.2 | -166 | -176.3 | 0 | 0 | 0 | 0 | 110.3 | D78 T82 Q104 | D78-V80 HydrophobicContact CB-CG2 4.29Å; V80-T82 PolarHBondContact O-N 3.4Å; V80-T82 VanDerWaalsContact O-N 3.11Å; V80-Q104 HydrophobicContact CG1-CG 3.76Å; V80-Q104 VanDerWaalsContact CG2-NE2 3.26Å | ||
| 81 | D | 51.4 | Low | 53.6 | Low | 70 Ų | 70 | 121 Ų | 121 | 37% | 0.374 | 64% | 0.643 | S | S | . | * | trans | -62.7 | 103.1 | 172.6 | -178 | 2.5 | 0 | 0 | 0 | 110.5 | N79 T83 K84 | N79-D81 PolarHBondContact O-N 2.91Å; D81-T83 PolarHBondContact O-N 2.92Å; D81-T83 WeakPolarHBondContact OD1-CB 3.3Å; D81-T83 PolarHBondContact OD1-N 3.38Å; D81-T83 PolarHBondContact OD1-OG1 2.83Å; D81-K84 IonicContact OD2-NZ 3.44Å; D81-K84 PolarHBondContact OD2-NZ 3.31Å | ||
| 82 | T | 55.5 | Low | 56 | Low | 82 Ų | 82 | 116 Ų | 116 | 50% | 0.503 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.6 | -2.3 | -177.9 | 51.4 | 0 | 0 | 0 | 0 | 113.9 | V80 Y103 | V80-T82 PolarHBondContact O-N 3.4Å; V80-T82 VanDerWaalsContact O-N 3.11Å; T82-Y103 HydrophobicContact CG2-CG 4.33Å; T82-Y103 WeakPolarHBondContact O-CD1 3.46Å |
| 83 | T | 56.8 | Low | 58.1 | Low | 105 Ų | 105 | 110.6 Ų | 110.6 | 64% | 0.644 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -11.1 | -175.4 | 70.4 | 0 | 0 | 0 | 0 | 113.9 | D81 | D81-T83 PolarHBondContact O-N 2.92Å; D81-T83 WeakPolarHBondContact OD1-CB 3.3Å; D81-T83 PolarHBondContact OD1-N 3.38Å; D81-T83 PolarHBondContact OD1-OG1 2.83Å |
| 84 | K | 62.5 | Low | 59.6 | Low | 125 Ų | 125 | 115.6 Ų | 115.6 | 54% | 0.543 | 61% | 0.611 | S | S | . | * | S | Bend | trans | -92.8 | 133.6 | 179.2 | -74.4 | -171.9 | 177.6 | 96.7 | 0 | 111.5 | D81 P86 | D81-K84 IonicContact OD2-NZ 3.44Å; D81-K84 PolarHBondContact OD2-NZ 3.31Å; K84-P86 WeakPolarHBondContact O-CD 3.35Å |
| 85 | D | 66.9 | Low | 61.6 | Low | 91 Ų | 91 | 113.5 Ų | 113.5 | 49% | 0.487 | 60% | 0.6 | S | S | . | * | trans | -68.9 | 117.3 | 171.9 | -174.6 | -15.9 | 0 | 0 | 0 | 109.4 | C87 Q88 | D85-C87 PolarHBondContact O-N 3.15Å; D85-C87 WeakPolarHBondContact OD1-CB 3.13Å; D85-C87 PolarHBondContact OD1-N 3.21Å; D85-Q88 WeakPolarHBondContact O-CB 3.48Å; D85-Q88 PolarHBondContact O-N 3.12Å; D85-Q88 VanDerWaalsContact O-N 3.08Å | ||
| 86 | P | 70.7 | Confident | 64 | Low | 34 Ų | 34 | 115.1 Ų | 115.1 | 22% | 0.221 | 59% | 0.588 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -62.6 | -15.7 | -179.1 | 26 | -34.6 | 0 | 0 | 0 | 113.1 | K84 V90 A100 A106 | K84-P86 WeakPolarHBondContact O-CD 3.35Å; P86-V90 WeakPolarHBondContact O-CG2 3.03Å; P86-A100 HydrophobicContact CG-CB 3.74Å; P86-A106 HydrophobicContact CB-CB 4.17Å; P86-A106 WeakPolarHBondContact O-CB 2.96Å |
| 87 | C | 74.6 | Confident | 65.9 | Low | 23 Ų | 23 | 112.9 Ų | 112.9 | 16% | 0.155 | 57% | 0.57 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -83.6 | -9 | 176.8 | -77.7 | 0 | 0 | 0 | 0 | 114.7 | D85 K89 V90 C98 I99 | D85-C87 PolarHBondContact O-N 3.15Å; D85-C87 WeakPolarHBondContact OD1-CB 3.13Å; D85-C87 PolarHBondContact OD1-N 3.21Å; C87-K89 VanDerWaalsContact C-N 3.26Å; C87-K89 PolarHBondContact O-N 3.14Å; C87-V90 PolarHBondContact O-N 3.43Å; C87-C98 WeakPolarHBondContact CA-SG 3.38Å; C87-C98 HydrophobicContact CB-CB 3.71Å; C87-C98 WeakPolarHBondContact CB-SG 3.36Å; C87-C98 WeakPolarHBondContact SG-CB 3.43Å; C87-C98 CovalentContact SG-SG 2.04Å; C87-C98 PolarHBondContact SG-SG 3.27Å; C87-I99 VanDerWaalsContact SG-C 3.56Å; C87-I99 PolarHBondContact SG-N 2.92Å; C87-I99 VanDerWaalsContact SG-N 3.44Å |
| 88 | Q | 74.1 | Confident | 68.2 | Low | 159 Ų | 159 | 106.5 Ų | 106.5 | 74% | 0.743 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -23.9 | -174.6 | -142.3 | 174.9 | 23.1 | 0 | 0 | 113.5 | D85 | D85-Q88 WeakPolarHBondContact O-CB 3.48Å; D85-Q88 PolarHBondContact O-N 3.12Å; D85-Q88 VanDerWaalsContact O-N 3.08Å |
| 89 | K | 67.9 | Low | 69.6 | Low | 198 Ų | 198 | 101.8 Ų | 101.8 | 86% | 0.861 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.3 | -0.6 | 177.3 | -65.4 | -175.8 | -179.8 | -178.6 | 0 | 113.8 | C87 | C87-K89 VanDerWaalsContact C-N 3.26Å; C87-K89 PolarHBondContact O-N 3.14Å |
| 90 | V | 77.7 | Confident | 71.1 | Confident | 61 Ų | 61 | 96.4 Ų | 96.4 | 37% | 0.37 | 49% | 0.489 | S | S | . | . | trans | -103.6 | 114 | -172.8 | 178.5 | 0 | 0 | 0 | 0 | 110.9 | P86 C87 A106 | P86-V90 WeakPolarHBondContact O-CG2 3.03Å; C87-V90 PolarHBondContact O-N 3.43Å; V90-A106 HydrophobicContact CB-CB 4.21Å; V90-A106 HydrophobicContact CG1-CB 4.38Å; V90-A106 HydrophobicContact CG2-CB 3.74Å | ||
| 91 | K | 72 | Confident | 71.8 | Confident | 209 Ų | 209 | 100.1 Ų | 100.1 | 91% | 0.909 | 50% | 0.503 | S | S | * | . | trans | -93.1 | 107.7 | 174 | -69 | -174.5 | 179.2 | 179.7 | 0 | 110.4 | ||||
| 92 | C | 80.3 | Confident | 72.4 | Confident | 33 Ų | 33 | 99.1 Ų | 99.1 | 22% | 0.223 | 51% | 0.51 | C | S | . | . | trans | -81.8 | 156.1 | 172.7 | -59.8 | 0 | 0 | 0 | 0 | 111.8 | K96 C98 C108 | C92-K96 HydrophobicContact CB-CB 4.02Å; C92-K96 VanDerWaalsContact CB-O 3.28Å; C92-K96 WeakPolarHBondContact CB-O 3.37Å; C92-C98 VanDerWaalsContact SG-CB 3.53Å; C92-C108 HydrophobicContact CB-CB 3.79Å; C92-C108 WeakPolarHBondContact CB-SG 3.4Å; C92-C108 VanDerWaalsContact SG-CA 3.57Å; C92-C108 WeakPolarHBondContact SG-CB 3.4Å; C92-C108 CovalentContact SG-SG 2.03Å; C92-C108 PolarHBondContact SG-SG 3.12Å | ||
| 93 | S | 80.8 | Confident | 72.7 | Confident | 82 Ų | 82 | 102.9 Ų | 102.9 | 57% | 0.573 | 52% | 0.516 | S | S | * | . | trans | -60.9 | 159.2 | 177.2 | -44 | 0 | 0 | 0 | 0 | 112.7 | H95 K96 | S93-H95 PolarHBondContact O-N 3.41Å; S93-K96 PolarHBondContact O-N 2.56Å | ||
| 94 | R | 72.9 | Confident | 72.8 | Confident | 251 Ų | 251 | 104.4 Ų | 104.4 | 95% | 0.947 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -6.1 | -172 | -74.8 | -177.8 | 173.3 | 155.7 | -2 | 118.2 | ||
| 95 | H | 73.8 | Confident | 73.2 | Confident | 147 Ų | 147 | 106.4 Ų | 106.4 | 68% | 0.681 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.2 | 10.4 | 177.6 | -60.6 | 91.4 | 0 | 0 | 0 | 113.9 | S93 N110 R111 | S93-H95 PolarHBondContact O-N 3.41Å; H95-N110 PolarHBondContact O-OD1 3.09Å; H95-R111 PolarHBondContact O-N 2.85Å |
| 96 | K | 82.7 | Confident | 73.7 | Confident | 104 Ų | 104 | 103.7 Ų | 103.7 | 45% | 0.452 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 138.1 | 178.8 | -63.9 | -178.5 | -177.2 | 179.2 | 0 | 109.3 | C92 S93 C108 V109 | C92-K96 HydrophobicContact CB-CB 4.02Å; C92-K96 VanDerWaalsContact CB-O 3.28Å; C92-K96 WeakPolarHBondContact CB-O 3.37Å; S93-K96 PolarHBondContact O-N 2.56Å; K96-C108 HydrophobicContact CB-CB 4.09Å; K96-C108 HydrophobicContact CD-CB 4.17Å; K96-V109 CarbonylContact C-O 3.51Å; K96-V109 VanDerWaalsContact CA-O 3.25Å; K96-V109 WeakPolarHBondContact CA-O 3.49Å |
| 97 | V | 81.6 | Confident | 74.3 | Confident | 64 Ų | 64 | 104.1 Ų | 104.1 | 39% | 0.388 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 135.7 | 178.2 | -178.1 | 0 | 0 | 0 | 0 | 108 | V109 R111 | V97-V109 PolarHBondContact N-O 2.85Å; V97-V109 PolarHBondContact O-N 2.8Å; V97-R111 HydrophobicContact CG2-CB 4.49Å; V97-R111 HydrophobicContact CG2-CG 4.45Å |
| 98 | C | 80.6 | Confident | 74.8 | Confident | 29 Ų | 29 | 105.3 Ų | 105.3 | 20% | 0.196 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 130.4 | 175.2 | -167.6 | 0 | 0 | 0 | 0 | 109.6 | C87 C92 | C87-C98 WeakPolarHBondContact CA-SG 3.38Å; C87-C98 HydrophobicContact CB-CB 3.71Å; C87-C98 WeakPolarHBondContact CB-SG 3.36Å; C87-C98 WeakPolarHBondContact SG-CB 3.43Å; C87-C98 CovalentContact SG-SG 2.04Å; C87-C98 PolarHBondContact SG-SG 3.27Å; C92-C98 VanDerWaalsContact SG-CB 3.53Å |
| 99 | I | 79.2 | Confident | 75.2 | Confident | 58 Ų | 58 | 99.8 Ų | 99.8 | 30% | 0.297 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 130 | 175.1 | -53.4 | 173.7 | 0 | 0 | 0 | 107.5 | C87 Q101 V107 V109 L114 | C87-I99 VanDerWaalsContact SG-C 3.56Å; C87-I99 PolarHBondContact SG-N 2.92Å; C87-I99 VanDerWaalsContact SG-N 3.44Å; I99-Q101 PolarHBondContact O-N 2.86Å; I99-V107 PolarHBondContact N-O 2.04Å; I99-V107 PolarHBondContact O-N 2.03Å; I99-V109 HydrophobicContact CD1-CB 4.06Å; I99-V109 HydrophobicContact CD1-CG2 4.1Å; I99-L114 HydrophobicContact CD1-CD1 3.37Å; I99-L114 HydrophobicContact CD1-CD2 4.12Å; I99-L114 HydrophobicContact CD1-CG 4.32Å |
| 100 | A | 78.9 | Confident | 75.7 | Confident | 46 Ų | 46 | 94.1 Ų | 94.1 | 38% | 0.38 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 120.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | P86 | P86-A100 HydrophobicContact CG-CB 3.74Å |
| 101 | Q | 67.4 | Low | 75.3 | Confident | 131 Ų | 131 | 99.6 Ų | 99.6 | 61% | 0.612 | 49% | 0.49 | S | S | * | . | trans | -105.6 | 78.6 | 173.5 | -160.2 | 173.8 | 8.7 | 0 | 0 | 108.1 | I99 R105 V107 | I99-Q101 PolarHBondContact O-N 2.86Å; Q101-R105 PolarHBondContact N-O 2.73Å; Q101-V107 HydrophobicContact CB-CG2 4.21Å | ||
| 102 | G | 64.1 | Low | 75 | Confident | 50 Ų | 50 | 97.9 Ų | 97.9 | 52% | 0.515 | 48% | 0.482 | S | S | . | . | S | Bend | trans | 82.8 | -174.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q104 | G102-Q104 VanDerWaalsContact C-N 3.27Å; G102-Q104 PolarHBondContact O-N 3.34Å |
| 103 | Y | 61 | Low | 74 | Confident | 160 Ų | 160 | 104 Ų | 104 | 63% | 0.627 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -8.1 | -170.4 | -57.1 | -77.7 | 0 | 0 | 0 | 115.3 | T82 | T82-Y103 HydrophobicContact CG2-CG 4.33Å; T82-Y103 WeakPolarHBondContact O-CD1 3.46Å |
| 104 | Q | 60.2 | Low | 72.9 | Confident | 137 Ų | 137 | 103 Ų | 103 | 64% | 0.64 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.2 | -3.4 | -171 | -57 | -158.6 | -11.5 | 0 | 0 | 114.7 | V80 G102 | V80-Q104 HydrophobicContact CG1-CG 3.76Å; V80-Q104 VanDerWaalsContact CG2-NE2 3.26Å; G102-Q104 VanDerWaalsContact C-N 3.27Å; G102-Q104 PolarHBondContact O-N 3.34Å |
| 105 | R | 69 | Low | 72.1 | Confident | 168 Ų | 168 | 97 Ų | 97 | 63% | 0.634 | 48% | 0.476 | S | S | * | . | trans | -132.4 | 111.7 | -166.4 | -158.6 | 172.1 | 162.4 | 137.4 | -2.4 | 112.2 | Q101 V107 | Q101-R105 PolarHBondContact N-O 2.73Å; R105-V107 HydrophobicContact CG-CG2 4.14Å | ||
| 106 | A | 78.3 | Confident | 71.1 | Confident | 33 Ų | 33 | 96.8 Ų | 96.8 | 27% | 0.273 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 125.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | P86 V90 | P86-A106 HydrophobicContact CB-CB 4.17Å; P86-A106 WeakPolarHBondContact O-CB 2.96Å; V90-A106 HydrophobicContact CB-CB 4.21Å; V90-A106 HydrophobicContact CG1-CB 4.38Å; V90-A106 HydrophobicContact CG2-CB 3.74Å |
| 107 | V | 84 | Confident | 69.6 | Low | 43 Ų | 43 | 101.9 Ų | 101.9 | 26% | 0.261 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 124.3 | 178.8 | -174.8 | 0 | 0 | 0 | 0 | 110.2 | I99 Q101 R105 V109 | I99-V107 PolarHBondContact N-O 2.04Å; I99-V107 PolarHBondContact O-N 2.03Å; Q101-V107 HydrophobicContact CB-CG2 4.21Å; R105-V107 HydrophobicContact CG-CG2 4.14Å; V107-V109 HydrophobicContact CG1-CG2 4Å; V107-V109 PolarHBondContact O-N 2.82Å |
| 108 | C | 84.5 | Confident | 68.3 | Low | 48 Ų | 48 | 105.5 Ų | 105.5 | 32% | 0.324 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 106.2 | 175.8 | -64.2 | 0 | 0 | 0 | 0 | 110.8 | C92 K96 | C92-C108 HydrophobicContact CB-CB 3.79Å; C92-C108 WeakPolarHBondContact CB-SG 3.4Å; C92-C108 VanDerWaalsContact SG-CA 3.57Å; C92-C108 WeakPolarHBondContact SG-CB 3.4Å; C92-C108 CovalentContact SG-SG 2.03Å; C92-C108 PolarHBondContact SG-SG 3.12Å; K96-C108 HydrophobicContact CB-CB 4.09Å; K96-C108 HydrophobicContact CD-CB 4.17Å |
| 109 | V | 83.2 | Confident | 66.7 | Low | 44 Ų | 44 | 113.1 Ų | 113.1 | 27% | 0.267 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 146 | -179.7 | -171.2 | 0 | 0 | 0 | 0 | 110.5 | K96 V97 I99 V107 K113 | K96-V109 CarbonylContact C-O 3.51Å; K96-V109 VanDerWaalsContact CA-O 3.25Å; K96-V109 WeakPolarHBondContact CA-O 3.49Å; V97-V109 PolarHBondContact N-O 2.85Å; V97-V109 PolarHBondContact O-N 2.8Å; I99-V109 HydrophobicContact CD1-CB 4.06Å; I99-V109 HydrophobicContact CD1-CG2 4.1Å; V107-V109 HydrophobicContact CG1-CG2 4Å; V107-V109 PolarHBondContact O-N 2.82Å; V109-K113 HydrophobicContact CG1-CB 4.37Å |
| 110 | N | 78.5 | Confident | 64.7 | Low | 79 Ų | 79 | 117.1 Ų | 117.1 | 42% | 0.422 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -68.9 | 132.9 | 177.1 | -167.9 | -32.3 | 0 | 0 | 0 | 110.6 | H95 K112 K113 L114 | H95-N110 PolarHBondContact O-OD1 3.09Å; N110-K112 PolarHBondContact O-N 2.77Å; N110-K112 VanDerWaalsContact O-N 3.15Å; N110-K112 PolarHBondContact OD1-N 3.42Å; N110-K113 PolarHBondContact O-N 2.96Å; N110-L114 PolarHBondContact O-N 3.21Å |
| 111 | R | 68.6 | Low | 63 | Low | 175 Ų | 175 | 120.7 Ų | 120.7 | 66% | 0.66 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -52.1 | -39 | -177.2 | -161.9 | 173.6 | -165.7 | -178.7 | 3.9 | 112.8 | H95 V97 K113 L114 | H95-R111 PolarHBondContact O-N 2.85Å; V97-R111 HydrophobicContact CG2-CB 4.49Å; V97-R111 HydrophobicContact CG2-CG 4.45Å; R111-K113 VanDerWaalsContact C-N 3.3Å; R111-K113 PolarHBondContact O-N 3.11Å; R111-L114 WeakPolarHBondContact O-CB 3.25Å; R111-L114 PolarHBondContact O-N 3.21Å |
| 112 | K | 64.7 | Low | 62 | Low | 174 Ų | 174 | 118.9 Ų | 118.9 | 76% | 0.757 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67 | -23.4 | 179.1 | -64.8 | -171.2 | 177.2 | -174.9 | 0 | 114.4 | N110 | N110-K112 PolarHBondContact O-N 2.77Å; N110-K112 VanDerWaalsContact O-N 3.15Å; N110-K112 PolarHBondContact OD1-N 3.42Å |
| 113 | K | 59.8 | Low | 60.6 | Low | 161 Ų | 161 | 124.8 Ų | 124.8 | 70% | 0.7 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -87.5 | -18.6 | 179.3 | -157.9 | 173 | -175.3 | 178.6 | 0 | 112.2 | V109 N110 R111 | V109-K113 HydrophobicContact CG1-CB 4.37Å; N110-K113 PolarHBondContact O-N 2.96Å; R111-K113 VanDerWaalsContact C-N 3.3Å; R111-K113 PolarHBondContact O-N 3.11Å |
| 114 | L | 57.8 | Low | 59.4 | Low | 61 Ų | 61 | 127.9 Ų | 127.9 | 32% | 0.319 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -75.5 | -41.8 | 177.6 | -168.1 | 65 | 0 | 0 | 0 | 111.6 | I99 N110 R111 H116 R117 L118 | I99-L114 HydrophobicContact CD1-CD1 3.37Å; I99-L114 HydrophobicContact CD1-CD2 4.12Å; I99-L114 HydrophobicContact CD1-CG 4.32Å; N110-L114 PolarHBondContact O-N 3.21Å; R111-L114 WeakPolarHBondContact O-CB 3.25Å; R111-L114 PolarHBondContact O-N 3.21Å; L114-H116 PolarHBondContact O-N 3.09Å; L114-R117 PolarHBondContact O-N 3.41Å; L114-L118 HydrophobicContact CG-CD1 4.16Å; L114-L118 PolarHBondContact O-N 3.44Å |
| 115 | E | 56.8 | Low | 58.4 | Low | 124 Ų | 124 | 126.7 Ų | 126.7 | 58% | 0.579 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -30.7 | 179.9 | -68.9 | 171.7 | 176.6 | 0 | 0 | 112.7 | ||
| 116 | H | 52.6 | Low | 57.4 | Low | 143 Ų | 143 | 123.8 Ų | 123.8 | 66% | 0.662 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -17.2 | 177.2 | -155.4 | -80 | 0 | 0 | 0 | 113.6 | L114 | L114-H116 PolarHBondContact O-N 3.09Š|
| 117 | R | 51.2 | Low | 55.5 | Low | 212 Ų | 212 | 130 Ų | 130 | 80% | 0.8 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -25.2 | 174 | -93.3 | -157.7 | 154.2 | -163.5 | -6.9 | 113.6 | L114 K119 | L114-R117 PolarHBondContact O-N 3.41Å; R117-K119 VanDerWaalsContact C-N 3.29Å |
| 118 | L | 53.8 | Low | 53.9 | Low | 140 Ų | 140 | 131 Ų | 131 | 73% | 0.733 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -12 | 173.8 | -87.8 | 130.7 | 0 | 0 | 0 | 113.7 | L114 | L114-L118 HydrophobicContact CG-CD1 4.16Å; L114-L118 PolarHBondContact O-N 3.44Å |
| 119 | K | 46.5 | Very low | 53 | Low | 188 Ų | 188 | 136.9 Ų | 136.9 | 82% | 0.817 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 3 | -179.2 | -95.9 | -176 | 177.1 | -177.5 | 0 | 115.5 | R117 | R117-K119 VanDerWaalsContact C-N 3.29Š|
| 120 | Q | 38.7 | Very low | 52 | Low | 142 Ų | 142 | 136.4 Ų | 136.4 | 66% | 0.664 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -94.1 | 138.7 | 172.6 | -78.3 | -174.2 | -3.2 | 0 | 0 | 111.2 | ||
| 121 | P | 43 | Very low | 51.7 | Low | 122 Ų | 122 | 140.9 Ų | 140.9 | 79% | 0.792 | 71% | 0.713 | S | S | * | * | trans | -66.2 | 141.4 | 176.8 | -6.8 | 22.5 | 0 | 0 | 0 | 109.8 | L123 | P121-L123 PolarHBondContact O-N 2.61Š| ||
| 122 | A | 45.2 | Very low | 51.8 | Low | 92 Ų | 92 | 137.6 Ų | 137.6 | 76% | 0.76 | 71% | 0.714 | S | S | * | * | trans | -42.8 | 119.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R124 | A122-R124 PolarHBondContact O-N 2.92Š| ||
| 123 | L | 35.7 | Very low | 52.2 | Low | 175 Ų | 175 | 130.9 Ų | 130.9 | 92% | 0.916 | 69% | 0.688 | S | S | * | * | trans | -62.6 | 115.5 | 160.5 | -95.4 | 152.1 | 0 | 0 | 0 | 107.9 | P121 | P121-L123 PolarHBondContact O-N 2.61Š| ||
| 124 | R | 35.8 | Very low | 52.6 | Low | 225 Ų | 225 | 128 Ų | 128 | 85% | 0.849 | 69% | 0.686 | S | S | * | * | trans | -71.1 | 137.2 | 177 | -80.4 | -178.5 | 168.8 | -176.7 | -3.7 | 111.8 | A122 | A122-R124 PolarHBondContact O-N 2.92Š| ||
| 125 | S | 38.5 | Very low | 52.6 | Low | 111 Ų | 111 | 133.4 Ų | 133.4 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | trans | 80.4 | 156.8 | 143.6 | -54 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 126 | P | 47.6 | Very low | 52.7 | Low | 108 Ų | 108 | 133 Ų | 133 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | cis | -128.5 | 160.9 | 4.1 | 34.7 | -15.1 | 0 | 0 | 0 | 116.1 | ||||
| 127 | D | 40.1 | Very low | 52.9 | Low | 164 Ų | 164 | 129.5 Ų | 129.5 | 88% | 0.877 | 72% | 0.716 | S | S | * | * | S | Bend | trans | 76.7 | 102.9 | 160.6 | -58.5 | -36 | 0 | 0 | 0 | 120.6 | ||
| 128 | G | 49.7 | Very low | 53.5 | Low | 63 Ų | 63 | 124.3 Ų | 124.3 | 65% | 0.649 | 71% | 0.708 | S | S | * | * | trans | 131 | 94.1 | 161 | 0 | 0 | 0 | 0 | 0 | 114.2 | C130 | G128-C130 PolarHBondContact O-N 3.21Š| ||
| 129 | N | 64.7 | Low | 54.6 | Low | 172 Ų | 172 | 119.9 Ų | 119.9 | 92% | 0.92 | 70% | 0.696 | S | S | * | * | trans | -72.5 | 63.1 | -161.8 | -142.2 | 34 | 0 | 0 | 0 | 115.9 | ||||
| 130 | C | 62.7 | Low | 56.3 | Low | 33 Ų | 33 | 114 Ų | 114 | 22% | 0.223 | 68% | 0.677 | C | S | . | * | trans | -103.7 | 111.7 | -176.2 | -44.5 | 0 | 0 | 0 | 0 | 112.4 | G128 C160 L161 | G128-C130 PolarHBondContact O-N 3.21Å; C130-C160 WeakPolarHBondContact CA-SG 3.44Å; C130-C160 HydrophobicContact CB-CB 3.83Å; C130-C160 WeakPolarHBondContact CB-SG 3.4Å; C130-C160 WeakPolarHBondContact SG-CB 3.4Å; C130-C160 CovalentContact SG-SG 2.03Å; C130-C160 PolarHBondContact SG-SG 2.86Å; C130-L161 HydrophobicContact CB-CD2 4.32Å | ||
| 131 | Q | 72.5 | Confident | 58.6 | Low | 174 Ų | 174 | 107.7 Ų | 107.7 | 81% | 0.813 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 140.5 | 176.8 | -80.1 | -167.8 | -89 | 0 | 0 | 112.1 | ||
| 132 | P | 69.6 | Low | 60.7 | Low | 105 Ų | 105 | 102 Ų | 102 | 68% | 0.682 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 136.6 | 170.9 | 27 | -30.7 | 0 | 0 | 0 | 111.6 | ||
| 133 | C | 73.1 | Confident | 62.6 | Low | 33 Ų | 33 | 97.6 Ų | 97.6 | 22% | 0.223 | 58% | 0.575 | C | S | . | * | P | Polyproline II helix | trans | -73 | 137.2 | -178.7 | -64 | 0 | 0 | 0 | 0 | 112.8 | C153 | C133-C153 VanDerWaalsContact CA-SG 3.56Å; C133-C153 HydrophobicContact CB-CB 3.85Å; C133-C153 WeakPolarHBondContact CB-SG 3.46Å; C133-C153 WeakPolarHBondContact SG-CB 3.09Å; C133-C153 PolarHBondContact SG-O 2.93Å; C133-C153 CovalentContact SG-SG 2.03Å; C133-C153 PolarHBondContact SG-SG 3.34Å |
| 134 | P | 70.2 | Confident | 64.8 | Low | 100 Ų | 100 | 91.7 Ų | 91.7 | 65% | 0.649 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 157.1 | 169.6 | 28 | -32.2 | 0 | 0 | 0 | 111.6 | S136 | P134-S136 PolarHBondContact O-N 3.24Å; P134-S136 VanDerWaalsContact O-N 3.09Å |
| 135 | I | 57.7 | Low | 66.9 | Low | 176 Ų | 176 | 83.7 Ų | 83.7 | 90% | 0.903 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -67 | -10.7 | -171.8 | -60.4 | 165.5 | 0 | 0 | 0 | 113.3 | S137 | I135-S137 PolarHBondContact O-N 3.11Å; I135-S137 VanDerWaalsContact O-N 3.15Å |
| 136 | S | 57.7 | Low | 68.9 | Low | 116 Ų | 116 | 80.5 Ų | 80.5 | 81% | 0.811 | 51% | 0.507 | S | S | * | . | trans | -82.9 | 94 | 175.5 | -166.2 | 0 | 0 | 0 | 0 | 110.2 | P134 | P134-S136 PolarHBondContact O-N 3.24Å; P134-S136 VanDerWaalsContact O-N 3.09Å | ||
| 137 | S | 57 | Low | 70.4 | Confident | 69 Ų | 69 | 80.2 Ų | 80.2 | 48% | 0.483 | 50% | 0.496 | S | S | . | . | trans | -108.7 | 109 | -173.3 | 74.3 | 0 | 0 | 0 | 0 | 110.4 | I135 | I135-S137 PolarHBondContact O-N 3.11Å; I135-S137 VanDerWaalsContact O-N 3.15Å | ||
| 138 | T | 64.8 | Low | 72.5 | Confident | 103 Ų | 103 | 77.4 Ų | 77.4 | 63% | 0.632 | 48% | 0.481 | S | S | * | . | trans | -51.6 | 141.5 | 163.6 | 47.4 | 0 | 0 | 0 | 0 | 109.1 | S151 | T138-S151 WeakPolarHBondContact O-CA 3.44Å; T138-S151 WeakPolarHBondContact O-CB 3.42Å | ||
| 139 | G | 75.4 | Confident | 74.2 | Confident | 47 Ų | 47 | 75.8 Ų | 75.8 | 49% | 0.485 | 46% | 0.456 | S | S | . | . | trans | -52.8 | 177.8 | -163.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | V141 | G139-V141 WeakPolarHBondContact O-CG1 3.39Š| ||
| 140 | P | 82.6 | Confident | 75 | Confident | 64 Ų | 64 | 70.3 Ų | 70.3 | 42% | 0.416 | 43% | 0.434 | S | S | . | . | trans | -59.6 | 142.4 | -171.2 | 25.9 | -34.8 | 0 | 0 | 0 | 111.9 | Y149 G172 | P140-Y149 CarbonylContact C-O 3.57Å; P140-Y149 WeakPolarHBondContact CA-O 3.07Å; P140-G172 VanDerWaalsContact O-CA 3.32Å; P140-G172 WeakPolarHBondContact O-CA 3.5Å; P140-G172 PolarHBondContact O-N 3.2Å | ||
| 141 | V | 86.8 | Confident | 76 | Confident | 9 Ų | 9 | 68.9 Ų | 68.9 | 6% | 0.055 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 150.6 | -179.4 | -56.9 | 0 | 0 | 0 | 0 | 111 | G139 Y149 L155 L168 G172 | G139-V141 WeakPolarHBondContact O-CG1 3.39Å; V141-Y149 PolarHBondContact N-O 2.01Å; V141-Y149 PolarHBondContact O-N 3.08Å; V141-L155 HydrophobicContact CG2-CB 4.3Å; V141-L155 HydrophobicContact CG2-CD1 3.88Å; V141-L168 HydrophobicContact CB-CD1 3.79Å; V141-L168 HydrophobicContact CB-CG 4.16Å; V141-L168 HydrophobicContact CG1-CD1 3.62Å; V141-L168 HydrophobicContact CG1-CG 4.47Å; V141-L168 HydrophobicContact CG2-CD1 4.27Å; V141-G172 CarbonylContact C-O 3.47Å; V141-G172 VanDerWaalsContact CA-O 3.32Å; V141-G172 WeakPolarHBondContact CA-O 3.45Å |
| 142 | C | 87.6 | Confident | 76.5 | Confident | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.014 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 129.3 | 175.7 | 179.9 | 0 | 0 | 0 | 0 | 109.9 | K169 C170 G172 C174 C176 | C142-K169 PolarHBondContact O-N 2.69Å; C142-C170 WeakPolarHBondContact CB-SG 3.28Å; C142-C170 PolarHBondContact N-O 3.2Å; C142-C170 PolarHBondContact O-N 2.94Å; C142-G172 PolarHBondContact N-O 3.06Å; C142-G172 VanDerWaalsContact N-O 3.09Å; C142-C174 WeakPolarHBondContact CA-SG 3.32Å; C142-C174 HydrophobicContact CB-CB 4.12Å; C142-C174 WeakPolarHBondContact CB-SG 3.4Å; C142-C174 VanDerWaalsContact SG-CA 3.56Å; C142-C174 WeakPolarHBondContact SG-CB 3.01Å; C142-C174 CovalentContact SG-SG 2.01Å; C142-C174 PolarHBondContact SG-SG 3.28Å; C142-C176 PolarHBondContact SG-SG 3.46Å |
| 143 | G | 84.1 | Confident | 77.2 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 162.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D145 G146 H147 T167 | G143-D145 VanDerWaalsContact C-OD1 3.31Å; G143-D145 WeakPolarHBondContact CA-OD1 3.47Å; G143-D145 PolarHBondContact O-N 3.32Å; G143-G146 PolarHBondContact O-N 3.48Å; G143-H147 PolarHBondContact N-O 3.27Å; G143-T167 CarbonylContact C-O 3.51Å; G143-T167 WeakPolarHBondContact CA-O 3.38Å |
| 144 | S | 82.6 | Confident | 77.7 | Confident | 51 Ų | 51 | 66.4 Ų | 66.4 | 36% | 0.357 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -23.2 | 173.3 | 54 | 0 | 0 | 0 | 0 | 113.2 | G146 T167 | S144-G146 PolarHBondContact O-N 3.49Å; S144-T167 WeakPolarHBondContact CB-OG1 3.1Å; S144-T167 PolarHBondContact N-O 2.92Å; S144-T167 PolarHBondContact OG-N 2.81Å; S144-T167 VanDerWaalsContact OG-N 3.12Å |
| 145 | D | 81 | Confident | 78.5 | Confident | 58 Ų | 58 | 61.8 Ų | 61.8 | 31% | 0.31 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -0 | 173.1 | 63.3 | -12.8 | 0 | 0 | 0 | 113.9 | G143 H147 Y149 L166 | G143-D145 VanDerWaalsContact C-OD1 3.31Å; G143-D145 WeakPolarHBondContact CA-OD1 3.47Å; G143-D145 PolarHBondContact O-N 3.32Å; D145-H147 VanDerWaalsContact C-N 3.25Å; D145-H147 PolarHBondContact O-N 2.78Å; D145-H147 PolarHBondContact O-ND1 2.99Å; D145-H147 PolarHBondContact OD1-N 2.03Å; D145-H147 VanDerWaalsContact OD1-N 3.09Å; D145-H147 IonicContact OD1-ND1 3.43Å; D145-H147 IonicContact OD2-CG 3.12Å; D145-H147 IonicContact OD2-ND1 2.79Å; D145-H147 PolarHBondContact OD2-ND1 2.83Å; D145-Y149 PolarHBondContact OD2-OH 2.72Å; D145-L166 HydrophobicContact CB-CD2 3.73Å |
| 146 | G | 78.8 | Confident | 79.7 | Confident | 43 Ų | 43 | 58.2 Ų | 58.2 | 44% | 0.443 | 35% | 0.351 | S | S | . | . | S | Bend | trans | 74.6 | 12.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | G143 S144 C174 | G143-G146 PolarHBondContact O-N 3.48Å; S144-G146 PolarHBondContact O-N 3.49Å; G146-C174 VanDerWaalsContact O-CB 3.28Å; G146-C174 WeakPolarHBondContact O-CB 3.2Å; G146-C174 PolarHBondContact O-SG 3.28Å |
| 147 | H | 80.3 | Confident | 80.9 | Confident | 103 Ų | 103 | 55.4 Ų | 55.4 | 48% | 0.477 | 33% | 0.325 | S | S | . | . | trans | -100.4 | 147.3 | 178.2 | -66.2 | 74.3 | 0 | 0 | 0 | 111.7 | G143 D145 Y149 C174 | G143-H147 PolarHBondContact N-O 3.27Å; D145-H147 VanDerWaalsContact C-N 3.25Å; D145-H147 PolarHBondContact O-N 2.78Å; D145-H147 PolarHBondContact O-ND1 2.99Å; D145-H147 PolarHBondContact OD1-N 2.03Å; D145-H147 VanDerWaalsContact OD1-N 3.09Å; D145-H147 IonicContact OD1-ND1 3.43Å; D145-H147 IonicContact OD2-CG 3.12Å; D145-H147 IonicContact OD2-ND1 2.79Å; D145-H147 PolarHBondContact OD2-ND1 2.83Å; H147-Y149 HydrophobicContact CB-CE2 4.01Å; H147-Y149 VanDerWaalsContact O-CD2 3.29Å; H147-Y149 WeakPolarHBondContact O-CD2 3.04Å; H147-Y149 WeakPolarHBondContact O-CE2 3.28Å; H147-C174 PolarHBondContact O-SG 3.35Å | ||
| 148 | N | 84.1 | Confident | 82.2 | Confident | 104 Ų | 104 | 55.5 Ų | 55.5 | 56% | 0.556 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 139.6 | 175 | 68.1 | 81.6 | 0 | 0 | 0 | 110.9 | L173 | N148-L173 HydrophobicContact CB-CD2 4.03Å |
| 149 | Y | 84.8 | Confident | 83.1 | Confident | 30 Ų | 30 | 51.5 Ų | 51.5 | 12% | 0.118 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 136.4 | 178.7 | -66.7 | -88.9 | 0 | 0 | 0 | 108.9 | P140 V141 D145 H147 S151 L155 Q158 L166 | P140-Y149 CarbonylContact C-O 3.57Å; P140-Y149 WeakPolarHBondContact CA-O 3.07Å; V141-Y149 PolarHBondContact N-O 2.01Å; V141-Y149 PolarHBondContact O-N 3.08Å; D145-Y149 PolarHBondContact OD2-OH 2.72Å; H147-Y149 HydrophobicContact CB-CE2 4.01Å; H147-Y149 VanDerWaalsContact O-CD2 3.29Å; H147-Y149 WeakPolarHBondContact O-CD2 3.04Å; H147-Y149 WeakPolarHBondContact O-CE2 3.28Å; Y149-S151 PolarHBondContact O-N 3.25Å; Y149-S151 VanDerWaalsContact O-N 3.11Å; Y149-L155 HydrophobicContact CD1-CB 3.98Å; Y149-L155 HydrophobicContact CD1-CG 4.45Å; Y149-L155 HydrophobicContact CD2-CB 4.06Å; Y149-L155 HydrophobicContact CD2-CD1 3.7Å; Y149-L155 HydrophobicContact CD2-CG 3.88Å; Y149-L155 HydrophobicContact CE2-CD1 4.17Å; Y149-L155 HydrophobicContact CE2-CG 4.13Å; Y149-L155 HydrophobicContact CG-CB 3.7Å; Y149-L155 HydrophobicContact CG-CD1 4.19Å; Y149-L155 HydrophobicContact CG-CG 4.06Å; Y149-Q158 HydrophobicContact CE1-CB 3.84Å; Y149-Q158 HydrophobicContact CE1-CG 3.95Å; Y149-L166 WeakPolarHBondContact OH-CD1 3.33Å |
| 150 | A | 81.4 | Confident | 83.6 | Confident | 56 Ų | 56 | 52.1 Ų | 52.1 | 46% | 0.463 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -63.4 | -21.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | K154 | A150-K154 HydrophobicContact CB-CD 4.2Š|
| 151 | S | 83.5 | Confident | 83.6 | Confident | 3 Ų | 3 | 54.5 Ų | 54.5 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -162.2 | 164.6 | 170.6 | 66.4 | 0 | 0 | 0 | 0 | 112 | T138 Y149 C153 K154 L155 | T138-S151 WeakPolarHBondContact O-CA 3.44Å; T138-S151 WeakPolarHBondContact O-CB 3.42Å; Y149-S151 PolarHBondContact O-N 3.25Å; Y149-S151 VanDerWaalsContact O-N 3.11Å; S151-C153 VanDerWaalsContact C-N 3.25Å; S151-C153 PolarHBondContact O-N 3.38Å; S151-K154 PolarHBondContact O-N 2.73Å; S151-K154 VanDerWaalsContact O-N 3.12Å; S151-K154 PolarHBondContact OG-N 2.72Å; S151-L155 PolarHBondContact O-N 2.87Å; S151-L155 VanDerWaalsContact O-N 3.14Å |
| 152 | K | 83.6 | Confident | 83.1 | Confident | 104 Ų | 104 | 57 Ų | 57 | 45% | 0.452 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -54.3 | -41.4 | 174 | -174.6 | 178.5 | 175.2 | -174.9 | 0 | 112.6 | K154 L155 E156 L168 | K152-K154 VanDerWaalsContact C-N 3.35Å; K152-K154 PolarHBondContact O-N 3.02Å; K152-L155 WeakPolarHBondContact O-CB 3.12Å; K152-L155 PolarHBondContact O-N 2.77Å; K152-E156 WeakPolarHBondContact CE-OE1 3.49Å; K152-E156 PolarHBondContact O-N 3.25Å; K152-E156 VanDerWaalsContact O-N 3.07Å; K152-L168 HydrophobicContact CB-CD1 4.41Å; K152-L168 HydrophobicContact CD-CD1 4.31Å; K152-L168 HydrophobicContact CG-CD1 4.2Å |
| 153 | C | 85.2 | Confident | 82.5 | Confident | 46 Ų | 46 | 60.3 Ų | 60.3 | 31% | 0.311 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.1 | -39 | 179.2 | -172 | 0 | 0 | 0 | 0 | 112.1 | C133 S151 L155 E156 Q157 | C133-C153 VanDerWaalsContact CA-SG 3.56Å; C133-C153 HydrophobicContact CB-CB 3.85Å; C133-C153 WeakPolarHBondContact CB-SG 3.46Å; C133-C153 WeakPolarHBondContact SG-CB 3.09Å; C133-C153 PolarHBondContact SG-O 2.93Å; C133-C153 CovalentContact SG-SG 2.03Å; C133-C153 PolarHBondContact SG-SG 3.34Å; S151-C153 VanDerWaalsContact C-N 3.25Å; S151-C153 PolarHBondContact O-N 3.38Å; C153-L155 VanDerWaalsContact C-N 3.33Å; C153-L155 PolarHBondContact O-N 2.83Å; C153-E156 PolarHBondContact O-N 2.86Å; C153-Q157 WeakPolarHBondContact O-CB 3.33Å; C153-Q157 PolarHBondContact O-N 3.28Å |
| 154 | K | 83.6 | Confident | 82.1 | Confident | 110 Ų | 110 | 67.2 Ų | 67.2 | 48% | 0.478 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.5 | -32.2 | 176.3 | -75.3 | -161.5 | -177.3 | -179.6 | 0 | 113 | A150 S151 K152 Q158 | A150-K154 HydrophobicContact CB-CD 4.2Å; S151-K154 PolarHBondContact O-N 2.73Å; S151-K154 VanDerWaalsContact O-N 3.12Å; S151-K154 PolarHBondContact OG-N 2.72Å; K152-K154 VanDerWaalsContact C-N 3.35Å; K152-K154 PolarHBondContact O-N 3.02Å; K154-Q158 WeakPolarHBondContact O-CB 3.34Å; K154-Q158 PolarHBondContact O-N 2.8Å |
| 155 | L | 85.5 | Confident | 81.8 | Confident | 3 Ų | 3 | 69.5 Ų | 69.5 | 2% | 0.016 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63.4 | -48.5 | 172.9 | -176.7 | 160.5 | 0 | 0 | 0 | 110.6 | V141 Y149 S151 K152 C153 Q157 Q158 A159 L166 L168 | V141-L155 HydrophobicContact CG2-CB 4.3Å; V141-L155 HydrophobicContact CG2-CD1 3.88Å; Y149-L155 HydrophobicContact CD1-CB 3.98Å; Y149-L155 HydrophobicContact CD1-CG 4.45Å; Y149-L155 HydrophobicContact CD2-CB 4.06Å; Y149-L155 HydrophobicContact CD2-CD1 3.7Å; Y149-L155 HydrophobicContact CD2-CG 3.88Å; Y149-L155 HydrophobicContact CE2-CD1 4.17Å; Y149-L155 HydrophobicContact CE2-CG 4.13Å; Y149-L155 HydrophobicContact CG-CB 3.7Å; Y149-L155 HydrophobicContact CG-CD1 4.19Å; Y149-L155 HydrophobicContact CG-CG 4.06Å; S151-L155 PolarHBondContact O-N 2.87Å; S151-L155 VanDerWaalsContact O-N 3.14Å; K152-L155 WeakPolarHBondContact O-CB 3.12Å; K152-L155 PolarHBondContact O-N 2.77Å; C153-L155 VanDerWaalsContact C-N 3.33Å; C153-L155 PolarHBondContact O-N 2.83Å; L155-Q157 VanDerWaalsContact C-N 3.34Å; L155-Q157 PolarHBondContact O-N 3.15Å; L155-Q158 PolarHBondContact O-N 2.68Å; L155-A159 PolarHBondContact O-N 3.37Å; L155-L166 HydrophobicContact CD2-CB 3.94Å; L155-L166 WeakPolarHBondContact CD2-O 3Å; L155-L166 HydrophobicContact CG-CB 4.46Å; L155-L168 HydrophobicContact CD1-CB 4.46Å |
| 156 | E | 83.1 | Confident | 81.7 | Confident | 101 Ų | 101 | 67.8 Ų | 67.8 | 47% | 0.472 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.3 | -38.3 | 178.2 | -70.1 | 170.5 | -179 | 0 | 0 | 112.1 | K152 C153 A159 C160 | K152-E156 WeakPolarHBondContact CE-OE1 3.49Å; K152-E156 PolarHBondContact O-N 3.25Å; K152-E156 VanDerWaalsContact O-N 3.07Å; C153-E156 PolarHBondContact O-N 2.86Å; E156-A159 WeakPolarHBondContact O-CB 3.29Å; E156-A159 PolarHBondContact O-N 3.29Å; E156-C160 WeakPolarHBondContact O-CB 3.42Å; E156-C160 PolarHBondContact O-N 2.9Å |
| 157 | Q | 83.7 | Confident | 81.8 | Confident | 57 Ų | 57 | 70 Ų | 70 | 27% | 0.266 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62 | -44.3 | 173.8 | -173.9 | 178.3 | 48 | 0 | 0 | 111.4 | C153 L155 A159 C160 L161 | C153-Q157 WeakPolarHBondContact O-CB 3.33Å; C153-Q157 PolarHBondContact O-N 3.28Å; L155-Q157 VanDerWaalsContact C-N 3.34Å; L155-Q157 PolarHBondContact O-N 3.15Å; Q157-A159 VanDerWaalsContact C-N 3.32Å; Q157-A159 PolarHBondContact O-N 3.13Å; Q157-C160 PolarHBondContact O-N 2.85Å; Q157-L161 HydrophobicContact CG-CD1 4.11Å; Q157-L161 HydrophobicContact CG-CG 4.48Å; Q157-L161 WeakPolarHBondContact O-CB 3.39Å; Q157-L161 VanDerWaalsContact O-CG 3.3Å; Q157-L161 WeakPolarHBondContact O-CG 3.46Å; Q157-L161 PolarHBondContact O-N 2.93Å |
| 158 | Q | 83.1 | Confident | 81.8 | Confident | 72 Ų | 72 | 68.7 Ų | 68.7 | 34% | 0.336 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.2 | -37.2 | 176.1 | -170.1 | 71.2 | -2 | 0 | 0 | 111.6 | Y149 K154 L155 C160 L161 T162 L166 | Y149-Q158 HydrophobicContact CE1-CB 3.84Å; Y149-Q158 HydrophobicContact CE1-CG 3.95Å; K154-Q158 WeakPolarHBondContact O-CB 3.34Å; K154-Q158 PolarHBondContact O-N 2.8Å; L155-Q158 PolarHBondContact O-N 2.68Å; Q158-C160 VanDerWaalsContact C-N 3.32Å; Q158-C160 PolarHBondContact O-N 2.72Å; Q158-L161 PolarHBondContact O-N 2.95Å; Q158-T162 HydrophobicContact CG-CG2 4.21Å; Q158-T162 WeakPolarHBondContact O-CB 3.32Å; Q158-T162 WeakPolarHBondContact O-CG2 3.39Å; Q158-T162 PolarHBondContact O-N 3.47Å; Q158-T162 PolarHBondContact O-OG1 3.04Å; Q158-L166 HydrophobicContact CB-CD1 4.11Å; Q158-L166 HydrophobicContact CG-CD1 3.95Å |
| 159 | A | 85 | Confident | 81.5 | Confident | 18 Ų | 18 | 70.3 Ų | 70.3 | 15% | 0.149 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.8 | -45.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L155 E156 Q157 G163 K164 L166 | L155-A159 PolarHBondContact O-N 3.37Å; E156-A159 WeakPolarHBondContact O-CB 3.29Å; E156-A159 PolarHBondContact O-N 3.29Å; Q157-A159 VanDerWaalsContact C-N 3.32Å; Q157-A159 PolarHBondContact O-N 3.13Å; A159-G163 WeakPolarHBondContact O-CA 3.02Å; A159-G163 PolarHBondContact O-N 3.26Å; A159-K164 WeakPolarHBondContact CA-O 3.32Å; A159-K164 WeakPolarHBondContact CB-O 3.49Å; A159-K164 PolarHBondContact O-N 2.94Å; A159-L166 HydrophobicContact CB-CB 3.83Å; A159-L166 HydrophobicContact CB-CD1 4.24Å; A159-L166 HydrophobicContact CB-CG 4.24Å |
| 160 | C | 85.4 | Confident | 81.3 | Confident | 61 Ų | 61 | 70.1 Ų | 70.1 | 41% | 0.412 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.2 | -43.1 | 179.3 | -177.1 | 0 | 0 | 0 | 0 | 112.3 | C130 E156 Q157 Q158 | C130-C160 WeakPolarHBondContact CA-SG 3.44Å; C130-C160 HydrophobicContact CB-CB 3.83Å; C130-C160 WeakPolarHBondContact CB-SG 3.4Å; C130-C160 WeakPolarHBondContact SG-CB 3.4Å; C130-C160 CovalentContact SG-SG 2.03Å; C130-C160 PolarHBondContact SG-SG 2.86Å; E156-C160 WeakPolarHBondContact O-CB 3.42Å; E156-C160 PolarHBondContact O-N 2.9Å; Q157-C160 PolarHBondContact O-N 2.85Å; Q158-C160 VanDerWaalsContact C-N 3.32Å; Q158-C160 PolarHBondContact O-N 2.72Å |
| 161 | L | 82.4 | Confident | 81.2 | Confident | 113 Ų | 113 | 72.6 Ų | 72.6 | 59% | 0.592 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -70.4 | -35.3 | 179.9 | -71.5 | 174.7 | 0 | 0 | 0 | 113.3 | C130 Q157 Q158 | C130-L161 HydrophobicContact CB-CD2 4.32Å; Q157-L161 HydrophobicContact CG-CD1 4.11Å; Q157-L161 HydrophobicContact CG-CG 4.48Å; Q157-L161 WeakPolarHBondContact O-CB 3.39Å; Q157-L161 VanDerWaalsContact O-CG 3.3Å; Q157-L161 WeakPolarHBondContact O-CG 3.46Å; Q157-L161 PolarHBondContact O-N 2.93Å; Q158-L161 PolarHBondContact O-N 2.95Å |
| 162 | T | 76.8 | Confident | 80.9 | Confident | 61 Ų | 61 | 73.6 Ų | 73.6 | 37% | 0.374 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -92.3 | -7.3 | -177.8 | 61.2 | 0 | 0 | 0 | 0 | 113.1 | Q158 K164 | Q158-T162 HydrophobicContact CG-CG2 4.21Å; Q158-T162 WeakPolarHBondContact O-CB 3.32Å; Q158-T162 WeakPolarHBondContact O-CG2 3.39Å; Q158-T162 PolarHBondContact O-N 3.47Å; Q158-T162 PolarHBondContact O-OG1 3.04Å; T162-K164 PolarHBondContact O-N 3.4Å |
| 163 | G | 74.3 | Confident | 80.6 | Confident | 72 Ų | 72 | 74.3 Ų | 74.3 | 74% | 0.742 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 15.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | A159 | A159-G163 WeakPolarHBondContact O-CA 3.02Å; A159-G163 PolarHBondContact O-N 3.26Å |
| 164 | K | 75.3 | Confident | 80.3 | Confident | 146 Ų | 146 | 73.7 Ų | 73.7 | 64% | 0.635 | 43% | 0.427 | S | S | * | . | trans | -100.3 | 139.6 | -178.7 | -67.6 | -179.5 | -178.8 | -179.5 | 0 | 110 | A159 T162 L166 | A159-K164 WeakPolarHBondContact CA-O 3.32Å; A159-K164 WeakPolarHBondContact CB-O 3.49Å; A159-K164 PolarHBondContact O-N 2.94Å; T162-K164 PolarHBondContact O-N 3.4Å; K164-L166 VanDerWaalsContact C-N 3.3Å; K164-L166 HydrophobicContact CB-CG 4.49Å; K164-L166 PolarHBondContact O-N 3.37Å | ||
| 165 | A | 76.6 | Confident | 79.7 | Confident | 98 Ų | 98 | 74.2 Ų | 74.2 | 81% | 0.81 | 44% | 0.442 | S | S | * | . | trans | -72.8 | 81.9 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 166 | L | 79.3 | Confident | 79 | Confident | 23 Ų | 23 | 75.2 Ų | 75.2 | 12% | 0.12 | 45% | 0.449 | C | S | . | . | trans | -87.3 | 121.6 | 172.8 | -60.4 | 172 | 0 | 0 | 0 | 109.2 | D145 Y149 L155 Q158 A159 K164 | D145-L166 HydrophobicContact CB-CD2 3.73Å; Y149-L166 WeakPolarHBondContact OH-CD1 3.33Å; L155-L166 HydrophobicContact CD2-CB 3.94Å; L155-L166 WeakPolarHBondContact CD2-O 3Å; L155-L166 HydrophobicContact CG-CB 4.46Å; Q158-L166 HydrophobicContact CB-CD1 4.11Å; Q158-L166 HydrophobicContact CG-CD1 3.95Å; A159-L166 HydrophobicContact CB-CB 3.83Å; A159-L166 HydrophobicContact CB-CD1 4.24Å; A159-L166 HydrophobicContact CB-CG 4.24Å; K164-L166 VanDerWaalsContact C-N 3.3Å; K164-L166 HydrophobicContact CB-CG 4.49Å; K164-L166 PolarHBondContact O-N 3.37Å | ||
| 167 | T | 80.2 | Confident | 78.3 | Confident | 88 Ų | 88 | 76.2 Ų | 76.2 | 54% | 0.54 | 46% | 0.464 | S | S | . | . | trans | -115.2 | 152.4 | 176.4 | 56.5 | 0 | 0 | 0 | 0 | 109.8 | G143 S144 K169 | G143-T167 CarbonylContact C-O 3.51Å; G143-T167 WeakPolarHBondContact CA-O 3.38Å; S144-T167 WeakPolarHBondContact CB-OG1 3.1Å; S144-T167 PolarHBondContact N-O 2.92Å; S144-T167 PolarHBondContact OG-N 2.81Å; S144-T167 VanDerWaalsContact OG-N 3.12Å; T167-K169 PolarHBondContact O-N 3.09Å | ||
| 168 | L | 81.3 | Confident | 76.8 | Confident | 76 Ų | 76 | 79.8 Ų | 79.8 | 40% | 0.398 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 119.7 | 175.8 | -174.4 | 154.4 | 0 | 0 | 0 | 109 | V141 K152 L155 | V141-L168 HydrophobicContact CB-CD1 3.79Å; V141-L168 HydrophobicContact CB-CG 4.16Å; V141-L168 HydrophobicContact CG1-CD1 3.62Å; V141-L168 HydrophobicContact CG1-CG 4.47Å; V141-L168 HydrophobicContact CG2-CD1 4.27Å; K152-L168 HydrophobicContact CB-CD1 4.41Å; K152-L168 HydrophobicContact CD-CD1 4.31Å; K152-L168 HydrophobicContact CG-CD1 4.2Å; L155-L168 HydrophobicContact CD1-CB 4.46Å |
| 169 | K | 78.2 | Confident | 75.1 | Confident | 138 Ų | 138 | 81.4 Ų | 81.4 | 60% | 0.6 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -40.2 | 179.5 | -165.3 | 175.2 | -176.8 | 172.3 | 0 | 112.2 | C142 T167 | C142-K169 PolarHBondContact O-N 2.69Å; T167-K169 PolarHBondContact O-N 3.09Å |
| 170 | C | 79.9 | Confident | 73 | Confident | 26 Ų | 26 | 84.2 Ų | 84.2 | 18% | 0.176 | 54% | 0.539 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 156.3 | 170.4 | 56.8 | 0 | 0 | 0 | 0 | 111.5 | C142 C176 | C142-C170 WeakPolarHBondContact CB-SG 3.28Å; C142-C170 PolarHBondContact N-O 3.2Å; C142-C170 PolarHBondContact O-N 2.94Å; C170-C176 HydrophobicContact CB-CB 3.76Å; C170-C176 WeakPolarHBondContact CB-SG 2.97Å; C170-C176 PolarHBondContact N-SG 3.23Å; C170-C176 WeakPolarHBondContact SG-CA 3.43Å; C170-C176 WeakPolarHBondContact SG-CB 3.19Å; C170-C176 CovalentContact SG-SG 2.03Å; C170-C176 PolarHBondContact SG-SG 2.74Å |
| 171 | S | 79.3 | Confident | 70.9 | Confident | 108 Ų | 108 | 87.1 Ų | 87.1 | 76% | 0.755 | 56% | 0.557 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.5 | 119.3 | 166.5 | 48.6 | 0 | 0 | 0 | 0 | 109.1 | ||
| 172 | G | 76.7 | Confident | 69.1 | Low | 24 Ų | 24 | 87 Ų | 87 | 25% | 0.247 | 57% | 0.573 | C | S | . | * | S | Bend | trans | 127 | -170.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | P140 V141 C142 | P140-G172 VanDerWaalsContact O-CA 3.32Å; P140-G172 WeakPolarHBondContact O-CA 3.5Å; P140-G172 PolarHBondContact O-N 3.2Å; V141-G172 CarbonylContact C-O 3.47Å; V141-G172 VanDerWaalsContact CA-O 3.32Å; V141-G172 WeakPolarHBondContact CA-O 3.45Å; C142-G172 PolarHBondContact N-O 3.06Å; C142-G172 VanDerWaalsContact N-O 3.09Å |
| 173 | L | 78.1 | Confident | 67.4 | Low | 120 Ų | 120 | 88.9 Ų | 88.9 | 63% | 0.628 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -85 | 143.9 | 177.5 | -66.7 | 146.7 | 0 | 0 | 0 | 109.9 | N148 | N148-L173 HydrophobicContact CB-CD2 4.03Š|
| 174 | C | 78.9 | Confident | 65.6 | Low | 32 Ų | 32 | 95.9 Ų | 95.9 | 22% | 0.216 | 59% | 0.592 | C | S | . | * | S | Bend | trans | -71.8 | 149.8 | 170.8 | -53.2 | 0 | 0 | 0 | 0 | 110.7 | C142 G146 H147 | C142-C174 WeakPolarHBondContact CA-SG 3.32Å; C142-C174 HydrophobicContact CB-CB 4.12Å; C142-C174 WeakPolarHBondContact CB-SG 3.4Å; C142-C174 VanDerWaalsContact SG-CA 3.56Å; C142-C174 WeakPolarHBondContact SG-CB 3.01Å; C142-C174 CovalentContact SG-SG 2.01Å; C142-C174 PolarHBondContact SG-SG 3.28Å; G146-C174 VanDerWaalsContact O-CB 3.28Å; G146-C174 WeakPolarHBondContact O-CB 3.2Å; G146-C174 PolarHBondContact O-SG 3.28Å; H147-C174 PolarHBondContact O-SG 3.35Å |
| 175 | P | 71.2 | Confident | 63.8 | Low | 122 Ų | 122 | 97.4 Ų | 97.4 | 79% | 0.792 | 60% | 0.601 | S | S | * | * | S | Bend | cis | -77.6 | 139.7 | 3.2 | 28.8 | -32.7 | 0 | 0 | 0 | 113.6 | ||
| 176 | C | 69.8 | Low | 62.5 | Low | 24 Ų | 24 | 97 Ų | 97 | 16% | 0.162 | 61% | 0.607 | C | S | . | * | P | Polyproline II helix | trans | -62.9 | 135.3 | 173.2 | -60 | 0 | 0 | 0 | 0 | 109.7 | C142 C170 T178 | C142-C176 PolarHBondContact SG-SG 3.46Å; C170-C176 HydrophobicContact CB-CB 3.76Å; C170-C176 WeakPolarHBondContact CB-SG 2.97Å; C170-C176 PolarHBondContact N-SG 3.23Å; C170-C176 WeakPolarHBondContact SG-CA 3.43Å; C170-C176 WeakPolarHBondContact SG-CB 3.19Å; C170-C176 CovalentContact SG-SG 2.03Å; C170-C176 PolarHBondContact SG-SG 2.74Å; C176-T178 PolarHBondContact O-N 3.44Å |
| 177 | P | 69.1 | Low | 60.4 | Low | 121 Ų | 121 | 103.7 Ų | 103.7 | 79% | 0.786 | 64% | 0.635 | S | S | * | * | trans | -56.6 | 112.7 | 170.3 | 22.7 | -29.9 | 0 | 0 | 0 | 107.2 | A179 | P177-A179 PolarHBondContact O-N 3.3Š| ||
| 178 | T | 52.7 | Low | 59 | Low | 132 Ų | 132 | 108.2 Ų | 108.2 | 81% | 0.81 | 65% | 0.65 | S | S | * | * | trans | -55.3 | 135.8 | 174.4 | 26.5 | 0 | 0 | 0 | 0 | 108.2 | C176 A180 | C176-T178 PolarHBondContact O-N 3.44Å; T178-A180 PolarHBondContact O-N 2.99Å | ||
| 179 | A | 47.6 | Very low | 57.7 | Low | 106 Ų | 106 | 112.1 Ų | 112.1 | 88% | 0.876 | 67% | 0.666 | S | S | * | * | trans | -55.4 | 91.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | P177 | P177-A179 PolarHBondContact O-N 3.3Š| ||
| 180 | A | 41 | Very low | 57.1 | Low | 78 Ų | 78 | 110.1 Ų | 110.1 | 65% | 0.645 | 67% | 0.669 | S | S | * | * | trans | -62.2 | 146.8 | 155.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | T178 A182 | T178-A180 PolarHBondContact O-N 2.99Å; A180-A182 PolarHBondContact O-N 3.25Å | ||
| 181 | P | 40.8 | Very low | 56.8 | Low | 121 Ų | 121 | 110.1 Ų | 110.1 | 79% | 0.786 | 67% | 0.669 | S | S | * | * | trans | -53.6 | 136.7 | -177.3 | 23 | -32.6 | 0 | 0 | 0 | 110.2 | S183 | P181-S183 VanDerWaalsContact C-N 3.35Å; P181-S183 PolarHBondContact O-N 3.19Å | ||
| 182 | A | 44.6 | Very low | 56.9 | Low | 112 Ų | 112 | 108.6 Ų | 108.6 | 93% | 0.926 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -60 | 93.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | A180 | A180-A182 PolarHBondContact O-N 3.25Š|
| 183 | S | 40.5 | Very low | 56.7 | Low | 100 Ų | 100 | 109.4 Ų | 109.4 | 70% | 0.699 | 66% | 0.664 | S | S | * | * | trans | -169.4 | 112 | 144.1 | 63.5 | 0 | 0 | 0 | 0 | 104.6 | P181 | P181-S183 VanDerWaalsContact C-N 3.35Å; P181-S183 PolarHBondContact O-N 3.19Å | ||
| 184 | R | 36.7 | Very low | 56.3 | Low | 218 Ų | 218 | 106.5 Ų | 106.5 | 82% | 0.823 | 65% | 0.647 | S | S | * | * | cis | -145.7 | 150.8 | 41.5 | -69.5 | 172.2 | 172.4 | 172.4 | -3.7 | 110 | ||||
| 185 | E | 36.9 | Very low | 56.2 | Low | 179 Ų | 179 | 108.3 Ų | 108.3 | 84% | 0.836 | 66% | 0.655 | S | S | * | * | trans | -38.3 | 156.2 | 163.8 | -60.7 | 163.2 | 148.4 | 0 | 0 | 112.5 | K187 | E185-K187 VanDerWaalsContact C-N 3.27Å; E185-K187 PolarHBondContact O-N 3.35Å | ||
| 186 | G | 50.3 | Low | 56.6 | Low | 90 Ų | 90 | 103.9 Ų | 103.9 | 93% | 0.928 | 63% | 0.625 | S | S | * | * | trans | -51.9 | 96.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 187 | K | 35.3 | Very low | 56.8 | Low | 162 Ų | 162 | 105.2 Ų | 105.2 | 70% | 0.704 | 63% | 0.634 | S | S | * | * | trans | -93.9 | 120.5 | 164.8 | -123.9 | 179.3 | -179.8 | -173.2 | 0 | 104.1 | E185 E189 | E185-K187 VanDerWaalsContact C-N 3.27Å; E185-K187 PolarHBondContact O-N 3.35Å; K187-E189 PolarHBondContact O-N 3.19Å | ||
| 188 | H | 49.5 | Very low | 57.1 | Low | 184 Ų | 184 | 102.3 Ų | 102.3 | 85% | 0.852 | 61% | 0.612 | S | S | * | * | trans | -31.4 | 117.4 | 154.2 | -127.9 | -101.9 | 0 | 0 | 0 | 108.2 | S190 | H188-S190 VanDerWaalsContact C-N 3.27Å; H188-S190 PolarHBondContact O-N 2.83Å | ||
| 189 | E | 54.9 | Low | 58.5 | Low | 157 Ų | 157 | 96.1 Ų | 96.1 | 73% | 0.734 | 57% | 0.574 | S | S | * | * | trans | -62.9 | 91.6 | -174.3 | -134.9 | 152.2 | 179.4 | 0 | 0 | 107.2 | K187 C191 V277 | K187-E189 PolarHBondContact O-N 3.19Å; E189-C191 PolarHBondContact O-N 3.43Å; E189-C191 VanDerWaalsContact O-N 3.15Å; E189-V277 HydrophobicContact CB-CG1 4.26Å | ||
| 190 | S | 66 | Low | 60.2 | Low | 97 Ų | 97 | 91.3 Ų | 91.3 | 68% | 0.678 | 53% | 0.534 | S | S | * | . | trans | -77 | 102 | -179.7 | 54.8 | 0 | 0 | 0 | 0 | 106.9 | H188 T192 | H188-S190 VanDerWaalsContact C-N 3.27Å; H188-S190 PolarHBondContact O-N 2.83Å; S190-T192 PolarHBondContact O-N 3.19Å | ||
| 191 | C | 72.1 | Confident | 62 | Low | 25 Ų | 25 | 90.1 Ų | 90.1 | 17% | 0.169 | 52% | 0.515 | C | S | . | . | trans | -53.1 | 132.7 | 173.5 | -56.2 | 0 | 0 | 0 | 0 | 110.1 | E189 D195 L196 C278 | E189-C191 PolarHBondContact O-N 3.43Å; E189-C191 VanDerWaalsContact O-N 3.15Å; C191-D195 HydrophobicContact CB-CB 4.46Å; C191-L196 HydrophobicContact CB-CD2 3.75Å; C191-L196 HydrophobicContact CB-CG 4.13Å; C191-C278 HydrophobicContact CB-CB 3.83Å; C191-C278 WeakPolarHBondContact CB-SG 3.34Å; C191-C278 WeakPolarHBondContact SG-CA 3.45Å; C191-C278 WeakPolarHBondContact SG-CB 3.33Å; C191-C278 CovalentContact SG-SG 2.03Å; C191-C278 PolarHBondContact SG-SG 2.75Å | ||
| 192 | T | 81.3 | Confident | 63.8 | Low | 76 Ų | 76 | 90 Ų | 90 | 47% | 0.466 | 50% | 0.499 | S | S | . | . | trans | -79.3 | 162.8 | 174.9 | 68.7 | 0 | 0 | 0 | 0 | 110.5 | S190 Q194 D195 L196 | S190-T192 PolarHBondContact O-N 3.19Å; T192-Q194 PolarHBondContact O-N 2.03Å; T192-D195 WeakPolarHBondContact CB-OD2 3.02Å; T192-D195 PolarHBondContact N-OD2 3.43Å; T192-D195 PolarHBondContact O-N 3.28Å; T192-D195 VanDerWaalsContact O-N 3.08Å; T192-D195 PolarHBondContact OG1-N 2.93Å; T192-D195 PolarHBondContact OG1-OD2 3.11Å; T192-L196 WeakPolarHBondContact O-CG 3.45Å; T192-L196 PolarHBondContact O-N 3.37Å; T192-L196 VanDerWaalsContact O-N 3.14Å | ||
| 193 | G | 72.8 | Confident | 65.7 | Low | 42 Ų | 42 | 85.1 Ų | 85.1 | 43% | 0.433 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -55 | -38 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L196 S197 | G193-L196 PolarHBondContact O-N 3.24Å; G193-S197 PolarHBondContact O-N 3.45Å; G193-S197 PolarHBondContact O-OG 2.85Å |
| 194 | Q | 69.4 | Low | 67.7 | Low | 58 Ų | 58 | 82.2 Ų | 82.2 | 27% | 0.271 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 175 | -171.5 | 64.4 | 30.8 | 0 | 0 | 112.3 | T192 L196 S197 D198 L311 | T192-Q194 PolarHBondContact O-N 2.03Å; Q194-L196 VanDerWaalsContact C-N 3.25Å; Q194-L196 PolarHBondContact O-N 3.33Å; Q194-S197 PolarHBondContact O-N 3.37Å; Q194-D198 PolarHBondContact NE2-OD1 3.03Å; Q194-D198 WeakPolarHBondContact O-CB 2.96Å; Q194-D198 VanDerWaalsContact O-CG 3.26Å; Q194-D198 PolarHBondContact O-N 3.17Å; Q194-L311 VanDerWaalsContact OE1-CD1 3.3Å |
| 195 | D | 78 | Confident | 69.8 | Low | 71 Ų | 71 | 76.5 Ų | 76.5 | 38% | 0.38 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.7 | -36.7 | 179.6 | -58.5 | -48.2 | 0 | 0 | 0 | 111.7 | C191 T192 L199 | C191-D195 HydrophobicContact CB-CB 4.46Å; T192-D195 WeakPolarHBondContact CB-OD2 3.02Å; T192-D195 PolarHBondContact N-OD2 3.43Å; T192-D195 PolarHBondContact O-N 3.28Å; T192-D195 VanDerWaalsContact O-N 3.08Å; T192-D195 PolarHBondContact OG1-N 2.93Å; T192-D195 PolarHBondContact OG1-OD2 3.11Å; D195-L199 VanDerWaalsContact O-CB 3.26Å; D195-L199 WeakPolarHBondContact O-CB 3.26Å; D195-L199 PolarHBondContact O-N 3.34Å |
| 196 | L | 79.4 | Confident | 71.9 | Confident | 29 Ų | 29 | 72.2 Ų | 72.2 | 15% | 0.152 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -69.7 | -43 | 176.5 | -62.2 | 179.7 | 0 | 0 | 0 | 111.5 | C191 T192 G193 Q194 L199 G200 C278 P281 F282 | C191-L196 HydrophobicContact CB-CD2 3.75Å; C191-L196 HydrophobicContact CB-CG 4.13Å; T192-L196 WeakPolarHBondContact O-CG 3.45Å; T192-L196 PolarHBondContact O-N 3.37Å; T192-L196 VanDerWaalsContact O-N 3.14Å; G193-L196 PolarHBondContact O-N 3.24Å; Q194-L196 VanDerWaalsContact C-N 3.25Å; Q194-L196 PolarHBondContact O-N 3.33Å; L196-L199 PolarHBondContact O-N 3.14Å; L196-G200 PolarHBondContact O-N 2.93Å; L196-C278 HydrophobicContact CD2-CB 4.11Å; L196-P281 HydrophobicContact CD2-CB 4.14Å; L196-F282 HydrophobicContact CB-CD2 4.13Å; L196-F282 HydrophobicContact CD2-CB 3.87Å; L196-F282 WeakPolarHBondContact O-CD2 3.5Å; L196-F282 VanDerWaalsContact O-CE2 3.23Å; L196-F282 WeakPolarHBondContact O-CE2 3.23Å |
| 197 | S | 74.5 | Confident | 73.6 | Confident | 52 Ų | 52 | 67.9 Ų | 67.9 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.5 | -47 | 175.1 | -66 | 0 | 0 | 0 | 0 | 112.1 | G193 Q194 L199 G200 E201 | G193-S197 PolarHBondContact O-N 3.45Å; G193-S197 PolarHBondContact O-OG 2.85Å; Q194-S197 PolarHBondContact O-N 3.37Å; S197-L199 VanDerWaalsContact C-N 3.31Å; S197-L199 PolarHBondContact O-N 2.78Å; S197-G200 PolarHBondContact O-N 3.12Å; S197-G200 VanDerWaalsContact O-N 3.12Å; S197-E201 PolarHBondContact O-N 3.5Å |
| 198 | D | 75.1 | Confident | 75.9 | Confident | 59 Ų | 59 | 63.1 Ų | 63.1 | 32% | 0.316 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.8 | -36.4 | 178.9 | -68.3 | -11.6 | 0 | 0 | 0 | 111.2 | Q194 R202 | Q194-D198 PolarHBondContact NE2-OD1 3.03Å; Q194-D198 WeakPolarHBondContact O-CB 2.96Å; Q194-D198 VanDerWaalsContact O-CG 3.26Å; Q194-D198 PolarHBondContact O-N 3.17Å; D198-R202 VanDerWaalsContact O-CG 3.26Å; D198-R202 WeakPolarHBondContact O-CG 3.15Å; D198-R202 PolarHBondContact O-N 3.39Å; D198-R202 VanDerWaalsContact O-N 3.12Å; D198-R202 PolarHBondContact O-NE 3.34Å |
| 199 | L | 82.4 | Confident | 77.5 | Confident | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.016 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.2 | -43.2 | 171.6 | 179.7 | 60.6 | 0 | 0 | 0 | 111.9 | D195 L196 S197 E201 R202 L203 E276 C278 I279 F282 | D195-L199 VanDerWaalsContact O-CB 3.26Å; D195-L199 WeakPolarHBondContact O-CB 3.26Å; D195-L199 PolarHBondContact O-N 3.34Å; L196-L199 PolarHBondContact O-N 3.14Å; S197-L199 VanDerWaalsContact C-N 3.31Å; S197-L199 PolarHBondContact O-N 2.78Å; L199-E201 VanDerWaalsContact C-N 3.35Å; L199-E201 PolarHBondContact O-N 3.44Å; L199-R202 PolarHBondContact O-N 2.93Å; L199-L203 HydrophobicContact CD1-CD1 4.33Å; L199-L203 HydrophobicContact CD1-CG 4.28Å; L199-L203 HydrophobicContact CG-CD1 4.14Å; L199-L203 WeakPolarHBondContact O-CG 3.43Å; L199-L203 PolarHBondContact O-N 2.69Å; L199-E276 HydrophobicContact CD1-CB 4.5Å; L199-E276 HydrophobicContact CD1-CG 4.27Å; L199-C278 VanDerWaalsContact CD2-C 3.4Å; L199-C278 HydrophobicContact CD2-CB 3.92Å; L199-C278 WeakPolarHBondContact CD2-O 3.49Å; L199-I279 HydrophobicContact CD2-CB 4.18Å; L199-F282 HydrophobicContact CD2-CB 3.94Å; L199-F282 HydrophobicContact CD2-CG 4.31Å |
| 200 | G | 82.2 | Confident | 78.7 | Confident | 4 Ų | 4 | 54.8 Ų | 54.8 | 4% | 0.041 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58 | -44.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L196 S197 L203 K204 | L196-G200 PolarHBondContact O-N 2.93Å; S197-G200 PolarHBondContact O-N 3.12Å; S197-G200 VanDerWaalsContact O-N 3.12Å; G200-L203 PolarHBondContact O-N 2.84Å; G200-K204 VanDerWaalsContact O-CG 3.32Å; G200-K204 WeakPolarHBondContact O-CG 3.43Å; G200-K204 PolarHBondContact O-N 3.3Å; G200-K204 VanDerWaalsContact O-N 3.12Å |
| 201 | E | 78.3 | Confident | 79.3 | Confident | 53 Ų | 53 | 51.2 Ų | 51.2 | 25% | 0.248 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.1 | -46.4 | 175.9 | -69.5 | -175.7 | 175.8 | 0 | 0 | 112 | S197 L199 L203 K204 D205 K307 | S197-E201 PolarHBondContact O-N 3.5Å; L199-E201 VanDerWaalsContact C-N 3.35Å; L199-E201 PolarHBondContact O-N 3.44Å; E201-L203 VanDerWaalsContact C-N 3.29Å; E201-L203 PolarHBondContact O-N 3.34Å; E201-K204 WeakPolarHBondContact O-CB 3.34Å; E201-K204 PolarHBondContact O-N 3.19Å; E201-K204 VanDerWaalsContact O-N 3.11Å; E201-D205 PolarHBondContact O-N 2.94Å; E201-D205 VanDerWaalsContact O-N 3.14Å; E201-K307 WeakPolarHBondContact OE1-CD 3.24Å; E201-K307 WeakPolarHBondContact OE1-CE 3.3Å; E201-K307 WeakPolarHBondContact OE1-CG 3.33Å; E201-K307 IonicContact OE1-NZ 2.86Å; E201-K307 PolarHBondContact OE1-NZ 3.37Å; E201-K307 IonicContact OE2-NZ 3.25Å; E201-K307 PolarHBondContact OE2-NZ 3.28Å |
| 202 | R | 79.8 | Confident | 79.6 | Confident | 119 Ų | 119 | 53.1 Ų | 53.1 | 45% | 0.449 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.7 | -40.7 | 177.9 | -72.5 | -178.1 | -66.9 | 149.8 | 1.4 | 112.5 | D198 L199 W206 E276 | D198-R202 VanDerWaalsContact O-CG 3.26Å; D198-R202 WeakPolarHBondContact O-CG 3.15Å; D198-R202 PolarHBondContact O-N 3.39Å; D198-R202 VanDerWaalsContact O-N 3.12Å; D198-R202 PolarHBondContact O-NE 3.34Å; L199-R202 PolarHBondContact O-N 2.93Å; R202-W206 WeakPolarHBondContact O-CB 3.29Å; R202-W206 PolarHBondContact O-N 3.26Å; R202-E276 IonicContact CZ-OE1 3.78Å; R202-E276 IonicContact CZ-OE2 2.78Å; R202-E276 IonicContact NH1-OE1 3.7Å; R202-E276 PolarHBondContact NH1-OE1 3.43Å; R202-E276 IonicContact NH1-OE2 3.72Å; R202-E276 PolarHBondContact NH1-OE2 3.47Å; R202-E276 IonicContact NH2-OE1 2.83Å; R202-E276 IonicContact NH2-OE2 3.2Å; R202-E276 PolarHBondContact NH2-OE2 3.37Å |
| 203 | L | 84.1 | Confident | 79.5 | Confident | 9 Ų | 9 | 53.2 Ų | 53.2 | 5% | 0.047 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 176.1 | -74 | 173 | 0 | 0 | 0 | 111.9 | L199 G200 E201 D205 W206 F207 I270 F282 F283 F303 | L199-L203 HydrophobicContact CD1-CD1 4.33Å; L199-L203 HydrophobicContact CD1-CG 4.28Å; L199-L203 HydrophobicContact CG-CD1 4.14Å; L199-L203 WeakPolarHBondContact O-CG 3.43Å; L199-L203 PolarHBondContact O-N 2.69Å; G200-L203 PolarHBondContact O-N 2.84Å; E201-L203 VanDerWaalsContact C-N 3.29Å; E201-L203 PolarHBondContact O-N 3.34Å; L203-D205 VanDerWaalsContact C-N 3.34Å; L203-D205 PolarHBondContact O-N 3.09Å; L203-W206 HydrophobicContact CD2-CE3 4.22Å; L203-W206 PolarHBondContact O-N 3.23Å; L203-F207 HydrophobicContact CB-CE2 4.15Å; L203-F207 HydrophobicContact CB-CZ 4.02Å; L203-F207 HydrophobicContact CD2-CE1 4.37Å; L203-F207 HydrophobicContact CD2-CZ 4.28Å; L203-F207 WeakPolarHBondContact O-CD1 2.97Å; L203-F207 VanDerWaalsContact O-CD2 3.28Å; L203-F207 WeakPolarHBondContact O-CD2 3.24Å; L203-F207 WeakPolarHBondContact O-CG 3.49Å; L203-F207 PolarHBondContact O-N 3.36Å; L203-I270 HydrophobicContact CD2-CD1 4.34Å; L203-F282 HydrophobicContact CD1-CD1 4.27Å; L203-F282 HydrophobicContact CD1-CE1 4.13Å; L203-F283 HydrophobicContact CD1-CZ 4.06Å; L203-F303 HydrophobicContact CB-CE1 3.75Å; L203-F303 HydrophobicContact CB-CZ 4.24Å; L203-F303 HydrophobicContact CD1-CE1 4.14Å; L203-F303 HydrophobicContact CD1-CZ 4.13Å |
| 204 | K | 82.9 | Confident | 79.6 | Confident | 40 Ų | 40 | 53 Ų | 53 | 17% | 0.174 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.5 | -44.6 | 176.6 | -68.7 | 173.6 | -149.5 | -172.5 | 0 | 112.1 | G200 E201 F207 Q208 I247 F303 R305 | G200-K204 VanDerWaalsContact O-CG 3.32Å; G200-K204 WeakPolarHBondContact O-CG 3.43Å; G200-K204 PolarHBondContact O-N 3.3Å; G200-K204 VanDerWaalsContact O-N 3.12Å; E201-K204 WeakPolarHBondContact O-CB 3.34Å; E201-K204 PolarHBondContact O-N 3.19Å; E201-K204 VanDerWaalsContact O-N 3.11Å; K204-F207 PolarHBondContact O-N 3.37Å; K204-Q208 WeakPolarHBondContact O-CG 3.38Å; K204-Q208 PolarHBondContact O-N 2.83Å; K204-Q208 VanDerWaalsContact O-N 3.15Å; K204-I247 HydrophobicContact CG-CD1 4.24Å; K204-F303 HydrophobicContact CD-CB 4.26Å; K204-F303 HydrophobicContact CD-CD1 4.3Å; K204-F303 WeakPolarHBondContact CD-O 3.46Å; K204-F303 WeakPolarHBondContact CE-O 3.14Å; K204-F303 HydrophobicContact CG-CB 4.05Å; K204-F303 HydrophobicContact CG-CD1 3.59Å; K204-F303 HydrophobicContact CG-CE1 4.45Å; K204-F303 HydrophobicContact CG-CG 4.18Å; K204-F303 PolarHBondContact NZ-O 3.13Å; K204-R305 PolarHBondContact NZ-O 3.42Å |
| 205 | D | 80.1 | Confident | 79.9 | Confident | 97 Ų | 97 | 55.7 Ų | 55.7 | 52% | 0.519 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -69.1 | -40.3 | -179.9 | -76.3 | -7.2 | 0 | 0 | 0 | 111.5 | E201 L203 F207 Q208 L209 | E201-D205 PolarHBondContact O-N 2.94Å; E201-D205 VanDerWaalsContact O-N 3.14Å; L203-D205 VanDerWaalsContact C-N 3.34Å; L203-D205 PolarHBondContact O-N 3.09Å; D205-F207 PolarHBondContact O-N 2.96Å; D205-Q208 WeakPolarHBondContact O-CB 3.16Å; D205-Q208 PolarHBondContact O-N 3.31Å; D205-L209 WeakPolarHBondContact O-CG 3.42Å; D205-L209 PolarHBondContact O-N 3.45Å |
| 206 | W | 82.1 | Confident | 79.3 | Confident | 89 Ų | 89 | 58.8 Ų | 58.8 | 34% | 0.337 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 174.8 | -179.2 | 61.1 | 0 | 0 | 0 | 112.4 | R202 L203 Q208 L209 L210 M250 I270 | R202-W206 WeakPolarHBondContact O-CB 3.29Å; R202-W206 PolarHBondContact O-N 3.26Å; L203-W206 HydrophobicContact CD2-CE3 4.22Å; L203-W206 PolarHBondContact O-N 3.23Å; W206-Q208 VanDerWaalsContact C-N 3.33Å; W206-Q208 PolarHBondContact O-N 2.92Å; W206-L209 PolarHBondContact O-N 3.36Å; W206-L210 HydrophobicContact CD2-CD1 3.9Å; W206-L210 HydrophobicContact CD2-CG 4.46Å; W206-L210 VanDerWaalsContact CE2-CD1 3.44Å; W206-L210 HydrophobicContact CE3-CD1 4.23Å; W206-L210 HydrophobicContact CH2-CD1 3.74Å; W206-L210 HydrophobicContact CZ2-CD1 3.39Å; W206-L210 HydrophobicContact CZ2-CG 4.32Å; W206-L210 HydrophobicContact CZ3-CD1 4.15Å; W206-L210 PolarHBondContact O-N 3.08Å; W206-M250 HydrophobicContact CZ3-CE 4.21Å; W206-I270 HydrophobicContact CH2-CG1 4.34Å; W206-I270 HydrophobicContact CZ3-CD1 3.83Å; W206-I270 HydrophobicContact CZ3-CG1 3.83Å |
| 207 | F | 85.3 | Confident | 78.4 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 175.9 | -59.7 | -22.3 | 0 | 0 | 0 | 112.3 | L203 K204 D205 L209 L210 Q211 M250 I270 W299 F303 | L203-F207 HydrophobicContact CB-CE2 4.15Å; L203-F207 HydrophobicContact CB-CZ 4.02Å; L203-F207 HydrophobicContact CD2-CE1 4.37Å; L203-F207 HydrophobicContact CD2-CZ 4.28Å; L203-F207 WeakPolarHBondContact O-CD1 2.97Å; L203-F207 VanDerWaalsContact O-CD2 3.28Å; L203-F207 WeakPolarHBondContact O-CD2 3.24Å; L203-F207 WeakPolarHBondContact O-CG 3.49Å; L203-F207 PolarHBondContact O-N 3.36Å; K204-F207 PolarHBondContact O-N 3.37Å; D205-F207 PolarHBondContact O-N 2.96Å; F207-L209 VanDerWaalsContact C-N 3.34Å; F207-L209 PolarHBondContact O-N 3.05Å; F207-L210 PolarHBondContact O-N 2.9Å; F207-Q211 WeakPolarHBondContact O-CB 3.33Å; F207-Q211 PolarHBondContact O-N 3.02Å; F207-M250 HydrophobicContact CB-CB 4.37Å; F207-M250 HydrophobicContact CD1-CB 4.04Å; F207-M250 HydrophobicContact CD1-CE 3.39Å; F207-M250 HydrophobicContact CD1-CG 3.65Å; F207-M250 HydrophobicContact CD1-SD 4.28Å; F207-M250 HydrophobicContact CD2-CB 4.17Å; F207-M250 HydrophobicContact CD2-CG 4.33Å; F207-M250 HydrophobicContact CE1-CB 4.33Å; F207-M250 HydrophobicContact CE1-CE 3.83Å; F207-M250 HydrophobicContact CE1-CG 3.53Å; F207-M250 HydrophobicContact CE1-SD 4.25Å; F207-M250 HydrophobicContact CE2-CB 4.49Å; F207-M250 HydrophobicContact CE2-CG 4.26Å; F207-M250 HydrophobicContact CG-CB 3.94Å; F207-M250 HydrophobicContact CG-CE 4.25Å; F207-M250 HydrophobicContact CG-CG 4.05Å; F207-M250 HydrophobicContact CZ-CG 3.87Å; F207-I270 HydrophobicContact CE1-CD1 3.54Å; F207-I270 HydrophobicContact CZ-CD1 3.6Å; F207-W299 HydrophobicContact CE2-CH2 4.13Å; F207-W299 AromaticContact CE2-CZ2 3.61Å; F207-W299 HydrophobicContact CE2-CZ2 3.61Å; F207-W299 AromaticContact CZ-CH2 3.94Å; F207-W299 HydrophobicContact CZ-CH2 3.94Å; F207-W299 AromaticContact CZ-CZ2 3.81Å; F207-W299 HydrophobicContact CZ-CZ2 3.81Å; F207-F303 HydrophobicContact CE2-CE1 4.1Å; F207-F303 HydrophobicContact CE2-CE2 4Å; F207-F303 AromaticContact CE2-CZ 3.73Å; F207-F303 HydrophobicContact CE2-CZ 3.73Å; F207-F303 HydrophobicContact CZ-CZ 4.22Å |
| 208 | Q | 83.9 | Confident | 77.7 | Confident | 62 Ų | 62 | 67.1 Ų | 67.1 | 29% | 0.29 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62 | -41.5 | 175.2 | -71.5 | 171.8 | 43.2 | 0 | 0 | 111.6 | K204 D205 W206 T212 S246 | K204-Q208 WeakPolarHBondContact O-CG 3.38Å; K204-Q208 PolarHBondContact O-N 2.83Å; K204-Q208 VanDerWaalsContact O-N 3.15Å; D205-Q208 WeakPolarHBondContact O-CB 3.16Å; D205-Q208 PolarHBondContact O-N 3.31Å; W206-Q208 VanDerWaalsContact C-N 3.33Å; W206-Q208 PolarHBondContact O-N 2.92Å; Q208-T212 VanDerWaalsContact O-CG2 3.31Å; Q208-T212 WeakPolarHBondContact O-CG2 3.18Å; Q208-T212 PolarHBondContact O-N 3.35Å; Q208-T212 PolarHBondContact O-OG1 3.42Å; Q208-S246 VanDerWaalsContact CG-OG 3.24Å; Q208-S246 WeakPolarHBondContact CG-OG 3.46Å |
| 209 | L | 82.1 | Confident | 76.6 | Confident | 107 Ų | 107 | 70.8 Ų | 70.8 | 56% | 0.56 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -65.7 | -42.3 | 176 | -71.7 | 173.1 | 0 | 0 | 0 | 112.1 | D205 W206 F207 T212 N213 | D205-L209 WeakPolarHBondContact O-CG 3.42Å; D205-L209 PolarHBondContact O-N 3.45Å; W206-L209 PolarHBondContact O-N 3.36Å; F207-L209 VanDerWaalsContact C-N 3.34Å; F207-L209 PolarHBondContact O-N 3.05Å; L209-T212 WeakPolarHBondContact CA-OG1 3.25Å; L209-T212 PolarHBondContact O-N 2.91Å; L209-T212 PolarHBondContact O-OG1 3.17Å; L209-N213 PolarHBondContact O-N 2.87Å; L209-N213 PolarHBondContact O-ND2 3.25Å |
| 210 | L | 80.7 | Confident | 75.1 | Confident | 58 Ų | 58 | 75.8 Ų | 75.8 | 30% | 0.304 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 178.8 | -74.9 | -179.2 | 0 | 0 | 0 | 112.2 | W206 F207 T212 N213 A214 W249 M250 | W206-L210 HydrophobicContact CD2-CD1 3.9Å; W206-L210 HydrophobicContact CD2-CG 4.46Å; W206-L210 VanDerWaalsContact CE2-CD1 3.44Å; W206-L210 HydrophobicContact CE3-CD1 4.23Å; W206-L210 HydrophobicContact CH2-CD1 3.74Å; W206-L210 HydrophobicContact CZ2-CD1 3.39Å; W206-L210 HydrophobicContact CZ2-CG 4.32Å; W206-L210 HydrophobicContact CZ3-CD1 4.15Å; W206-L210 PolarHBondContact O-N 3.08Å; F207-L210 PolarHBondContact O-N 2.9Å; L210-T212 VanDerWaalsContact C-N 3.35Å; L210-T212 PolarHBondContact O-N 3.3Å; L210-N213 PolarHBondContact O-N 3Å; L210-A214 WeakPolarHBondContact O-CB 3.43Å; L210-A214 PolarHBondContact O-N 3.15Å; L210-W249 HydrophobicContact CB-CH2 4.14Å; L210-W249 HydrophobicContact CB-CZ3 3.81Å; L210-M250 HydrophobicContact CB-CE 4.44Å; L210-M250 HydrophobicContact CD1-CE 3.37Å |
| 211 | Q | 78.2 | Confident | 73.6 | Confident | 22 Ų | 22 | 84.5 Ų | 84.5 | 10% | 0.103 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -64.7 | -40 | 178.5 | -168 | -172.8 | 44 | 0 | 0 | 111.8 | F207 A214 K215 D245 S246 W249 | F207-Q211 WeakPolarHBondContact O-CB 3.33Å; F207-Q211 PolarHBondContact O-N 3.02Å; Q211-A214 PolarHBondContact O-N 3.19Å; Q211-K215 HydrophobicContact CG-CD 4.46Å; Q211-K215 WeakPolarHBondContact O-CG 3.47Å; Q211-K215 PolarHBondContact O-N 2.94Å; Q211-D245 PolarHBondContact NE2-O 2.98Å; Q211-S246 VanDerWaalsContact OE1-CA 3.3Å; Q211-W249 HydrophobicContact CB-CD2 4.01Å; Q211-W249 HydrophobicContact CB-CE3 3.81Å; Q211-W249 HydrophobicContact CB-CG 4.48Å; Q211-W249 HydrophobicContact CB-CZ3 4.21Å; Q211-W249 HydrophobicContact CG-CB 4.31Å; Q211-W249 HydrophobicContact CG-CD2 3.82Å; Q211-W249 HydrophobicContact CG-CE3 4.16Å; Q211-W249 HydrophobicContact CG-CG 3.87Å; Q211-W249 VanDerWaalsContact NE2-CB 3.27Å |
| 212 | T | 78.9 | Confident | 71.9 | Confident | 65 Ų | 65 | 89.4 Ų | 89.4 | 40% | 0.399 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.4 | -39.9 | 177.9 | 50.4 | 0 | 0 | 0 | 0 | 111.9 | Q208 L209 L210 K215 Q216 | Q208-T212 VanDerWaalsContact O-CG2 3.31Å; Q208-T212 WeakPolarHBondContact O-CG2 3.18Å; Q208-T212 PolarHBondContact O-N 3.35Å; Q208-T212 PolarHBondContact O-OG1 3.42Å; L209-T212 WeakPolarHBondContact CA-OG1 3.25Å; L209-T212 PolarHBondContact O-N 2.91Å; L209-T212 PolarHBondContact O-OG1 3.17Å; L210-T212 VanDerWaalsContact C-N 3.35Å; L210-T212 PolarHBondContact O-N 3.3Å; T212-K215 PolarHBondContact O-N 3.43Å; T212-Q216 WeakPolarHBondContact O-CG 3.46Å; T212-Q216 PolarHBondContact O-N 3.38Å |
| 213 | N | 78.8 | Confident | 69.9 | Low | 79 Ų | 79 | 88.1 Ų | 88.1 | 42% | 0.422 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 173.3 | -77 | -64 | 0 | 0 | 0 | 112.5 | L209 L210 K215 Q216 N217 | L209-N213 PolarHBondContact O-N 2.87Å; L209-N213 PolarHBondContact O-ND2 3.25Å; L210-N213 PolarHBondContact O-N 3Å; N213-K215 VanDerWaalsContact C-N 3.33Å; N213-K215 PolarHBondContact O-N 3.14Å; N213-Q216 PolarHBondContact O-N 3.08Å; N213-N217 PolarHBondContact O-N 3.42Å |
| 214 | A | 75.9 | Confident | 67.6 | Low | 37 Ų | 37 | 91.1 Ų | 91.1 | 31% | 0.306 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L210 Q211 N217 N218 W249 | L210-A214 WeakPolarHBondContact O-CB 3.43Å; L210-A214 PolarHBondContact O-N 3.15Å; Q211-A214 PolarHBondContact O-N 3.19Å; A214-N217 PolarHBondContact O-N 3.13Å; A214-N218 PolarHBondContact O-N 2.62Å; A214-W249 HydrophobicContact CB-CH2 4.31Å; A214-W249 HydrophobicContact CB-CZ2 3.82Å |
| 215 | K | 74.4 | Confident | 65.4 | Low | 115 Ų | 115 | 100.9 Ų | 100.9 | 50% | 0.5 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 174 | -74 | 174.2 | 177.7 | 173.1 | 0 | 112.1 | Q211 T212 N213 N218 N219 | Q211-K215 HydrophobicContact CG-CD 4.46Å; Q211-K215 WeakPolarHBondContact O-CG 3.47Å; Q211-K215 PolarHBondContact O-N 2.94Å; T212-K215 PolarHBondContact O-N 3.43Å; N213-K215 VanDerWaalsContact C-N 3.33Å; N213-K215 PolarHBondContact O-N 3.14Å; K215-N218 PolarHBondContact O-N 3.29Å; K215-N219 PolarHBondContact O-N 3.26Å |
| 216 | Q | 66.6 | Low | 63.4 | Low | 135 Ų | 135 | 101.9 Ų | 101.9 | 63% | 0.631 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.5 | -38.4 | 177.4 | -74.5 | -174.8 | 3.3 | 0 | 0 | 112.9 | T212 N213 N218 N219 | T212-Q216 WeakPolarHBondContact O-CG 3.46Å; T212-Q216 PolarHBondContact O-N 3.38Å; N213-Q216 PolarHBondContact O-N 3.08Å; Q216-N218 VanDerWaalsContact C-N 3.29Å; Q216-N218 PolarHBondContact O-N 2.94Å; Q216-N219 PolarHBondContact O-N 2.61Å; Q216-N219 VanDerWaalsContact O-N 3.12Å |
| 217 | N | 59.1 | Low | 61.3 | Low | 132 Ų | 132 | 103.4 Ų | 103.4 | 71% | 0.706 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.4 | -30.9 | 179.5 | -155.9 | 17.2 | 0 | 0 | 0 | 112.4 | N213 A214 | N213-N217 PolarHBondContact O-N 3.42Å; A214-N217 PolarHBondContact O-N 3.13Å |
| 218 | N | 59.9 | Low | 59 | Low | 125 Ų | 125 | 107.7 Ų | 107.7 | 67% | 0.668 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -75.2 | -23.3 | 172.6 | -78.3 | -22.5 | 0 | 0 | 0 | 113.5 | A214 K215 Q216 S220 K221 | A214-N218 PolarHBondContact O-N 2.62Å; K215-N218 PolarHBondContact O-N 3.29Å; Q216-N218 VanDerWaalsContact C-N 3.29Å; Q216-N218 PolarHBondContact O-N 2.94Å; N218-S220 VanDerWaalsContact C-N 3.33Å; N218-S220 PolarHBondContact O-N 3.08Å; N218-K221 PolarHBondContact O-N 2.9Å |
| 219 | N | 53.1 | Low | 57.3 | Low | 135 Ų | 135 | 109.5 Ų | 109.5 | 72% | 0.722 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -78.2 | -11.7 | 178.4 | -101.2 | 4.7 | 0 | 0 | 0 | 114.3 | K215 Q216 K221 | K215-N219 PolarHBondContact O-N 3.26Å; Q216-N219 PolarHBondContact O-N 2.61Å; Q216-N219 VanDerWaalsContact O-N 3.12Å; N219-K221 PolarHBondContact O-N 3.33Å |
| 220 | S | 51.5 | Low | 55.2 | Low | 108 Ų | 108 | 109.9 Ų | 109.9 | 76% | 0.755 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 0.1 | 173.1 | -170.4 | 0 | 0 | 0 | 0 | 113.3 | N218 | N218-S220 VanDerWaalsContact C-N 3.33Å; N218-S220 PolarHBondContact O-N 3.08Å |
| 221 | K | 50.7 | Low | 53.3 | Low | 188 Ų | 188 | 113.9 Ų | 113.9 | 82% | 0.817 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.6 | 46.8 | -177.4 | -140.9 | -179 | -166.6 | -178.8 | 0 | 113.1 | N218 N219 | N218-K221 PolarHBondContact O-N 2.9Å; N219-K221 PolarHBondContact O-N 3.33Å |
| 222 | Q | 41.1 | Very low | 51.5 | Low | 155 Ų | 155 | 116.8 Ų | 116.8 | 72% | 0.724 | 70% | 0.698 | S | S | * | * | trans | -157.4 | 86.9 | 164.7 | -110.3 | 164.7 | 55.1 | 0 | 0 | 112.3 | A224 | Q222-A224 VanDerWaalsContact C-N 3.28Å; Q222-A224 PolarHBondContact O-N 3.32Å | ||
| 223 | G | 39.3 | Very low | 49.6 | Very low | 92 Ų | 92 | 117.2 Ų | 117.2 | 95% | 0.948 | 70% | 0.704 | S | S | * | * | trans | -81.4 | 79 | 147.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 224 | A | 35.9 | Very low | 47.9 | Very low | 72 Ų | 72 | 119.9 Ų | 119.9 | 60% | 0.595 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -159.7 | 127.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q222 S226 | Q222-A224 VanDerWaalsContact C-N 3.28Å; Q222-A224 PolarHBondContact O-N 3.32Å; A224-S226 PolarHBondContact O-N 3.38Å |
| 225 | R | 36.6 | Very low | 46.3 | Very low | 245 Ų | 245 | 125.7 Ų | 125.7 | 93% | 0.925 | 75% | 0.748 | S | S | * | * | trans | -44.3 | 128.9 | 177.3 | -71.4 | 167 | 169.4 | 167.4 | -5.4 | 111.7 | P227 | R225-P227 WeakPolarHBondContact O-CD 3.45Š| ||
| 226 | S | 37.3 | Very low | 44.7 | Very low | 118 Ų | 118 | 123.9 Ų | 123.9 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 129.8 | 161 | -48.8 | 0 | 0 | 0 | 0 | 110 | A224 | A224-S226 PolarHBondContact O-N 3.38Š|
| 227 | P | 38.8 | Very low | 43.6 | Very low | 122 Ų | 122 | 126.8 Ų | 126.8 | 79% | 0.792 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 157.8 | 143.8 | 31.8 | -18.7 | 0 | 0 | 0 | 109.6 | R225 | R225-P227 WeakPolarHBondContact O-CD 3.45Š|
| 228 | A | 36.7 | Very low | 42.9 | Very low | 90 Ų | 90 | 125 Ų | 125 | 74% | 0.744 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 151.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 229 | A | 47.3 | Very low | 42.3 | Very low | 99 Ų | 99 | 124.7 Ų | 124.7 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | 30.7 | 92.6 | 141.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 230 | S | 37.8 | Very low | 42.2 | Very low | 116 Ų | 116 | 121.4 Ų | 121.4 | 81% | 0.811 | 73% | 0.729 | S | S | * | * | trans | -91.9 | 101.6 | 162 | -51.7 | 0 | 0 | 0 | 0 | 108.9 | A232 | S230-A232 PolarHBondContact O-N 2.98Š| ||
| 231 | T | 42.5 | Very low | 42 | Very low | 142 Ų | 142 | 119.9 Ų | 119.9 | 87% | 0.871 | 72% | 0.723 | S | S | * | * | trans | -11.9 | 89.9 | 155.2 | 55.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 232 | A | 38.8 | Very low | 42.2 | Very low | 83 Ų | 83 | 114 Ų | 114 | 69% | 0.686 | 71% | 0.705 | S | S | * | * | trans | -112.9 | 119.5 | 150.8 | 0 | 0 | 0 | 0 | 0 | 106.4 | S230 | S230-A232 PolarHBondContact O-N 2.98Š| ||
| 233 | S | 38.6 | Very low | 43.5 | Very low | 73 Ų | 73 | 107 Ų | 107 | 51% | 0.51 | 67% | 0.674 | S | S | . | * | trans | 28.4 | 93.6 | 165.8 | 44.7 | 0 | 0 | 0 | 0 | 117.1 | L235 D236 | S233-L235 PolarHBondContact O-N 3Å; S233-D236 PolarHBondContact O-N 3.31Å; S233-D236 WeakPolarHBondContact OG-CB 3.46Å | ||
| 234 | V | 44.3 | Very low | 45.1 | Very low | 135 Ų | 135 | 107.6 Ų | 107.6 | 82% | 0.818 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | -17.8 | 171.7 | 174.6 | 0 | 0 | 0 | 0 | 113.2 | ||
| 235 | L | 41.3 | Very low | 47.1 | Very low | 160 Ų | 160 | 110.1 Ų | 110.1 | 84% | 0.838 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -21.6 | 177.5 | -62.9 | 172.3 | 0 | 0 | 0 | 114.1 | S233 R237 | S233-L235 PolarHBondContact O-N 3Å; L235-R237 VanDerWaalsContact C-N 3.31Å |
| 236 | D | 41.9 | Very low | 49.2 | Very low | 77 Ų | 77 | 98.6 Ų | 98.6 | 41% | 0.412 | 61% | 0.611 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.1 | -19 | 179.7 | -158.3 | 20.6 | 0 | 0 | 0 | 111.7 | S233 S238 V240 | S233-D236 PolarHBondContact O-N 3.31Å; S233-D236 WeakPolarHBondContact OG-CB 3.46Å; D236-S238 VanDerWaalsContact C-N 3.3Å; D236-S238 PolarHBondContact O-N 3.32Å; D236-V240 WeakPolarHBondContact O-CB 3.38Å; D236-V240 WeakPolarHBondContact O-CG2 3.42Å; D236-V240 PolarHBondContact O-N 3.13Å |
| 237 | R | 43.5 | Very low | 51.4 | Low | 196 Ų | 196 | 93.2 Ų | 93.2 | 74% | 0.74 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -76.4 | -9.5 | 179 | -162.2 | 169 | 170.8 | 150.7 | -1.9 | 113.5 | L235 A241 | L235-R237 VanDerWaalsContact C-N 3.31Å; R237-A241 WeakPolarHBondContact O-CA 3.32Å; R237-A241 WeakPolarHBondContact O-CB 3.3Å; R237-A241 PolarHBondContact O-N 2.77Å |
| 238 | S | 44.3 | Very low | 53.6 | Low | 95 Ų | 95 | 88.2 Ų | 88.2 | 66% | 0.664 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -88.1 | -35.7 | -178.3 | -165.2 | 0 | 0 | 0 | 0 | 113.5 | D236 | D236-S238 VanDerWaalsContact C-N 3.3Å; D236-S238 PolarHBondContact O-N 3.32Å |
| 239 | L | 47.6 | Very low | 55.8 | Low | 118 Ų | 118 | 87.9 Ų | 87.9 | 62% | 0.618 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -83.3 | -39.2 | 175.5 | -75 | 160.8 | 0 | 0 | 0 | 110.5 | S242 | L239-S242 PolarHBondContact O-N 3.37Å; L239-S242 PolarHBondContact O-OG 3.38Å |
| 240 | V | 49.7 | Very low | 57.6 | Low | 66 Ų | 66 | 83.7 Ų | 83.7 | 40% | 0.4 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -75 | -20.1 | 174 | -177.8 | 0 | 0 | 0 | 0 | 112.9 | D236 S242 C243 | D236-V240 WeakPolarHBondContact O-CB 3.38Å; D236-V240 WeakPolarHBondContact O-CG2 3.42Å; D236-V240 PolarHBondContact O-N 3.13Å; V240-S242 PolarHBondContact O-N 2.69Å; V240-C243 WeakPolarHBondContact O-CA 3.33Å; V240-C243 WeakPolarHBondContact O-CB 3.26Å; V240-C243 PolarHBondContact O-N 3.07Å |
| 241 | A | 49.2 | Very low | 59.8 | Low | 75 Ų | 75 | 78.6 Ų | 78.6 | 62% | 0.62 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -14 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | R237 | R237-A241 WeakPolarHBondContact O-CA 3.32Å; R237-A241 WeakPolarHBondContact O-CB 3.3Å; R237-A241 PolarHBondContact O-N 2.77Å |
| 242 | S | 53 | Low | 61.8 | Low | 65 Ų | 65 | 75.5 Ų | 75.5 | 46% | 0.455 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 2.4 | 165.9 | 77.8 | 0 | 0 | 0 | 0 | 112 | L239 V240 W304 | L239-S242 PolarHBondContact O-N 3.37Å; L239-S242 PolarHBondContact O-OG 3.38Å; V240-S242 PolarHBondContact O-N 2.69Å; S242-W304 WeakPolarHBondContact O-CH2 3.41Å; S242-W304 WeakPolarHBondContact O-CZ2 3.48Å; S242-W304 WeakPolarHBondContact O-CZ3 3.13Å |
| 243 | C | 68.4 | Low | 63.9 | Low | 9 Ų | 9 | 76.4 Ų | 76.4 | 6% | 0.061 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -110 | 137.3 | -177.5 | -144.9 | 0 | 0 | 0 | 0 | 113.7 | V240 C300 W304 | V240-C243 WeakPolarHBondContact O-CA 3.33Å; V240-C243 WeakPolarHBondContact O-CB 3.26Å; V240-C243 PolarHBondContact O-N 3.07Å; C243-C300 HydrophobicContact CB-CB 3.93Å; C243-C300 WeakPolarHBondContact CB-SG 3.22Å; C243-C300 WeakPolarHBondContact SG-CB 3.49Å; C243-C300 CovalentContact SG-SG 2.03Å; C243-C300 PolarHBondContact SG-SG 2.85Å; C243-W304 HydrophobicContact CB-CZ3 4.18Å |
| 244 | K | 73.6 | Confident | 66 | Low | 104 Ų | 104 | 73.3 Ų | 73.3 | 45% | 0.452 | 40% | 0.4 | S | S | . | . | trans | -77.5 | 137.2 | -171.7 | -173.2 | 179.1 | -179.4 | -177.6 | 0 | 103.9 | S246 I247 G248 W304 | K244-S246 PolarHBondContact O-N 3.11Å; K244-I247 HydrophobicContact CB-CB 4.36Å; K244-I247 HydrophobicContact CB-CD1 3.84Å; K244-I247 HydrophobicContact CB-CG1 4.19Å; K244-I247 HydrophobicContact CD-CD1 4.39Å; K244-I247 WeakPolarHBondContact O-CA 3.38Å; K244-I247 PolarHBondContact O-N 3.49Å; K244-G248 PolarHBondContact O-N 2.71Å; K244-W304 HydrophobicContact CB-CH2 3.79Å; K244-W304 HydrophobicContact CB-CZ3 3.96Å | ||
| 245 | D | 77.1 | Confident | 67.9 | Low | 124 Ų | 124 | 67.2 Ų | 67.2 | 66% | 0.663 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -47.9 | -35.2 | -171.3 | -65.6 | -19.1 | 0 | 0 | 0 | 114 | Q211 W249 | Q211-D245 PolarHBondContact NE2-O 2.98Å; D245-W249 WeakPolarHBondContact O-CB 3.46Å; D245-W249 PolarHBondContact O-N 2.84Å |
| 246 | S | 82.3 | Confident | 69.7 | Low | 4 Ų | 4 | 64.8 Ų | 64.8 | 3% | 0.028 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -75.7 | -35.7 | 177.3 | 54.5 | 0 | 0 | 0 | 0 | 114.4 | Q208 Q211 K244 M250 | Q208-S246 VanDerWaalsContact CG-OG 3.24Å; Q208-S246 WeakPolarHBondContact CG-OG 3.46Å; Q211-S246 VanDerWaalsContact OE1-CA 3.3Å; K244-S246 PolarHBondContact O-N 3.11Å; S246-M250 PolarHBondContact O-N 3.39Å |
| 247 | I | 83.8 | Confident | 71.6 | Confident | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.021 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -76.5 | -45.2 | -177.6 | -64 | 169.1 | 0 | 0 | 0 | 109.7 | K204 K244 M250 F251 W299 F303 | K204-I247 HydrophobicContact CG-CD1 4.24Å; K244-I247 HydrophobicContact CB-CB 4.36Å; K244-I247 HydrophobicContact CB-CD1 3.84Å; K244-I247 HydrophobicContact CB-CG1 4.19Å; K244-I247 HydrophobicContact CD-CD1 4.39Å; K244-I247 WeakPolarHBondContact O-CA 3.38Å; K244-I247 PolarHBondContact O-N 3.49Å; I247-M250 PolarHBondContact O-N 2.99Å; I247-F251 PolarHBondContact O-N 2.74Å; I247-F251 VanDerWaalsContact O-N 3.09Å; I247-W299 VanDerWaalsContact CG2-NE1 3.25Å; I247-W299 PolarHBondContact O-NE1 2.91Å; I247-F303 HydrophobicContact CD1-CB 3.58Å; I247-F303 HydrophobicContact CD1-CG 4.5Å; I247-F303 HydrophobicContact CG1-CB 4.27Å; I247-F303 HydrophobicContact CG2-CB 4.03Å; I247-F303 HydrophobicContact CG2-CD2 3.97Å; I247-F303 HydrophobicContact CG2-CG 4.3Å |
| 248 | G | 83.4 | Confident | 73.4 | Confident | 17 Ų | 17 | 61.1 Ų | 61.1 | 18% | 0.175 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.7 | -34.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K244 M250 F251 S252 | K244-G248 PolarHBondContact O-N 2.71Å; G248-M250 PolarHBondContact O-N 3.07Å; G248-F251 WeakPolarHBondContact O-CB 3.18Å; G248-F251 PolarHBondContact O-N 3.32Å; G248-S252 PolarHBondContact O-N 3.06Å |
| 249 | W | 83.6 | Confident | 75.3 | Confident | 83 Ų | 83 | 59.3 Ų | 59.3 | 31% | 0.314 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 173.6 | 175.8 | 82.8 | 0 | 0 | 0 | 112.6 | L210 Q211 A214 D245 K253 | L210-W249 HydrophobicContact CB-CH2 4.14Å; L210-W249 HydrophobicContact CB-CZ3 3.81Å; Q211-W249 HydrophobicContact CB-CD2 4.01Å; Q211-W249 HydrophobicContact CB-CE3 3.81Å; Q211-W249 HydrophobicContact CB-CG 4.48Å; Q211-W249 HydrophobicContact CB-CZ3 4.21Å; Q211-W249 HydrophobicContact CG-CB 4.31Å; Q211-W249 HydrophobicContact CG-CD2 3.82Å; Q211-W249 HydrophobicContact CG-CE3 4.16Å; Q211-W249 HydrophobicContact CG-CG 3.87Å; Q211-W249 VanDerWaalsContact NE2-CB 3.27Å; A214-W249 HydrophobicContact CB-CH2 4.31Å; A214-W249 HydrophobicContact CB-CZ2 3.82Å; D245-W249 WeakPolarHBondContact O-CB 3.46Å; D245-W249 PolarHBondContact O-N 2.84Å; W249-K253 PolarHBondContact O-N 2.83Å |
| 250 | M | 84.6 | Confident | 77.1 | Confident | 11 Ų | 11 | 57.6 Ų | 57.6 | 5% | 0.054 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.9 | -41.7 | 175.9 | -177.6 | 57.7 | 73 | 0 | 0 | 111.5 | W206 F207 L210 S246 I247 G248 S252 K253 L254 W299 | W206-M250 HydrophobicContact CZ3-CE 4.21Å; F207-M250 HydrophobicContact CB-CB 4.37Å; F207-M250 HydrophobicContact CD1-CB 4.04Å; F207-M250 HydrophobicContact CD1-CE 3.39Å; F207-M250 HydrophobicContact CD1-CG 3.65Å; F207-M250 HydrophobicContact CD1-SD 4.28Å; F207-M250 HydrophobicContact CD2-CB 4.17Å; F207-M250 HydrophobicContact CD2-CG 4.33Å; F207-M250 HydrophobicContact CE1-CB 4.33Å; F207-M250 HydrophobicContact CE1-CE 3.83Å; F207-M250 HydrophobicContact CE1-CG 3.53Å; F207-M250 HydrophobicContact CE1-SD 4.25Å; F207-M250 HydrophobicContact CE2-CB 4.49Å; F207-M250 HydrophobicContact CE2-CG 4.26Å; F207-M250 HydrophobicContact CG-CB 3.94Å; F207-M250 HydrophobicContact CG-CE 4.25Å; F207-M250 HydrophobicContact CG-CG 4.05Å; F207-M250 HydrophobicContact CZ-CG 3.87Å; L210-M250 HydrophobicContact CB-CE 4.44Å; L210-M250 HydrophobicContact CD1-CE 3.37Å; S246-M250 PolarHBondContact O-N 3.39Å; I247-M250 PolarHBondContact O-N 2.99Å; G248-M250 PolarHBondContact O-N 3.07Å; M250-S252 PolarHBondContact O-N 3.08Å; M250-K253 WeakPolarHBondContact O-CA 3.09Å; M250-K253 WeakPolarHBondContact O-CB 3.44Å; M250-K253 PolarHBondContact O-N 3.43Å; M250-L254 HydrophobicContact CG-CD1 3.86Å; M250-L254 HydrophobicContact CG-CG 4.28Å; M250-L254 WeakPolarHBondContact O-CG 3.44Å; M250-L254 PolarHBondContact O-N 3.42Å; M250-L254 HydrophobicContact SD-CD1 4.19Å; M250-L254 HydrophobicContact SD-CG 4.06Å; M250-W299 HydrophobicContact CG-CZ2 4.21Å |
| 251 | F | 85.2 | Confident | 79 | Confident | 9 Ų | 9 | 59.2 Ų | 59.2 | 4% | 0.039 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -53.7 | -53.8 | 175.5 | -175.2 | -81.3 | 0 | 0 | 0 | 111.1 | I247 G248 K253 L254 D255 L260 L262 T296 W299 | I247-F251 PolarHBondContact O-N 2.74Å; I247-F251 VanDerWaalsContact O-N 3.09Å; G248-F251 WeakPolarHBondContact O-CB 3.18Å; G248-F251 PolarHBondContact O-N 3.32Å; F251-K253 PolarHBondContact O-N 2.02Å; F251-K253 VanDerWaalsContact O-N 3.08Å; F251-L254 PolarHBondContact O-N 2.88Å; F251-D255 HydrophobicContact CD1-CB 4.29Å; F251-D255 HydrophobicContact CE1-CB 3.95Å; F251-D255 WeakPolarHBondContact O-CB 3.4Å; F251-D255 PolarHBondContact O-N 2.87Å; F251-L260 WeakPolarHBondContact CZ-O 3.39Å; F251-L262 HydrophobicContact CD2-CD1 3.49Å; F251-L262 VanDerWaalsContact CD2-CD1 3.49Å; F251-L262 HydrophobicContact CD2-CG 3.88Å; F251-L262 HydrophobicContact CE2-CD1 3.55Å; F251-L262 HydrophobicContact CE2-CD2 4.29Å; F251-L262 HydrophobicContact CE2-CG 3.46Å; F251-L262 VanDerWaalsContact CE2-CG 3.46Å; F251-L262 HydrophobicContact CG-CD1 4.39Å; F251-L262 HydrophobicContact CZ-CD1 4.42Å; F251-L262 HydrophobicContact CZ-CD2 4.39Å; F251-L262 HydrophobicContact CZ-CG 3.89Å; F251-T296 HydrophobicContact CD1-CG2 3.72Å; F251-T296 HydrophobicContact CD2-CG2 4.49Å; F251-T296 HydrophobicContact CE1-CG2 3.18Å; F251-T296 HydrophobicContact CE2-CG2 3.99Å; F251-T296 HydrophobicContact CG-CG2 4.37Å; F251-T296 HydrophobicContact CZ-CG2 3.33Å; F251-W299 HydrophobicContact CB-CG 4.44Å; F251-W299 HydrophobicContact CD2-CB 3.68Å; F251-W299 AromaticContact CD2-CD1 3.67Å; F251-W299 AromaticContact CD2-CD2 3.96Å; F251-W299 HydrophobicContact CD2-CD2 3.96Å; F251-W299 AromaticContact CD2-CG 3.5Å; F251-W299 HydrophobicContact CD2-CG 3.5Å; F251-W299 HydrophobicContact CE2-CB 3.98Å; F251-W299 HydrophobicContact CE2-CG 4.27Å; F251-W299 HydrophobicContact CG-CG 4.41Å |
| 252 | S | 83.8 | Confident | 80.8 | Confident | 77 Ų | 77 | 55.6 Ų | 55.6 | 54% | 0.538 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62 | -19.5 | 178.4 | 173.7 | 0 | 0 | 0 | 0 | 113.5 | G248 M250 | G248-S252 PolarHBondContact O-N 3.06Å; M250-S252 PolarHBondContact O-N 3.08Å |
| 253 | K | 82.5 | Confident | 82.3 | Confident | 102 Ų | 102 | 54.9 Ų | 54.9 | 44% | 0.443 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -87.6 | -27.2 | 177.2 | -166.4 | 59 | 178.1 | 173.8 | 0 | 113 | W249 M250 F251 | W249-K253 PolarHBondContact O-N 2.83Å; M250-K253 WeakPolarHBondContact O-CA 3.09Å; M250-K253 WeakPolarHBondContact O-CB 3.44Å; M250-K253 PolarHBondContact O-N 3.43Å; F251-K253 PolarHBondContact O-N 2.02Å; F251-K253 VanDerWaalsContact O-N 3.08Å |
| 254 | L | 82.3 | Confident | 82.9 | Confident | 9 Ų | 9 | 58.7 Ų | 58.7 | 5% | 0.047 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -84.5 | -38.8 | 176.4 | -68.9 | 170.1 | 0 | 0 | 0 | 111.3 | M250 F251 T256 L262 A269 I270 W299 | M250-L254 HydrophobicContact CG-CD1 3.86Å; M250-L254 HydrophobicContact CG-CG 4.28Å; M250-L254 WeakPolarHBondContact O-CG 3.44Å; M250-L254 PolarHBondContact O-N 3.42Å; M250-L254 HydrophobicContact SD-CD1 4.19Å; M250-L254 HydrophobicContact SD-CG 4.06Å; F251-L254 PolarHBondContact O-N 2.88Å; L254-T256 VanDerWaalsContact C-N 3.34Å; L254-T256 PolarHBondContact O-N 3.18Å; L254-T256 PolarHBondContact O-OG1 3.01Å; L254-T256 VanDerWaalsContact O-OG1 3.08Å; L254-L262 HydrophobicContact CB-CD1 4.46Å; L254-L262 HydrophobicContact CB-CD2 3.6Å; L254-L262 HydrophobicContact CD1-CD1 4.37Å; L254-A269 HydrophobicContact CD2-CB 4.16Å; L254-I270 HydrophobicContact CD1-CD1 4.24Å; L254-I270 HydrophobicContact CD2-CB 4.3Å; L254-W299 HydrophobicContact CD1-CH2 3.86Å; L254-W299 HydrophobicContact CD1-CZ2 4.32Å |
| 255 | D | 83.9 | Confident | 83.3 | Confident | 6 Ų | 6 | 57 Ų | 57 | 3% | 0.032 | 31% | 0.307 | C | S | . | . | trans | -67.2 | 88.9 | 174.7 | -176.1 | 3.2 | 0 | 0 | 0 | 109.5 | F251 N257 N258 D259 L260 L262 | F251-D255 HydrophobicContact CD1-CB 4.29Å; F251-D255 HydrophobicContact CE1-CB 3.95Å; F251-D255 WeakPolarHBondContact O-CB 3.4Å; F251-D255 PolarHBondContact O-N 2.87Å; D255-N257 PolarHBondContact OD1-OD1 3.12Å; D255-N258 VanDerWaalsContact CG-CA 3.45Å; D255-N258 WeakPolarHBondContact OD1-CA 3.38Å; D255-N258 PolarHBondContact OD1-N 3.42Å; D255-N258 WeakPolarHBondContact OD2-CA 3.36Å; D255-D259 PolarHBondContact OD1-N 3.04Å; D255-L260 WeakPolarHBondContact OD2-CA 3.39Å; D255-L260 PolarHBondContact OD2-N 3.34Å; D255-L262 HydrophobicContact CB-CD2 3.96Å | ||
| 256 | T | 80.5 | Confident | 83.5 | Confident | 110 Ų | 110 | 51.9 Ų | 51.9 | 68% | 0.675 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -87.3 | -30 | -172.7 | -57.6 | 0 | 0 | 0 | 0 | 110.2 | L254 N258 E266 | L254-T256 VanDerWaalsContact C-N 3.34Å; L254-T256 PolarHBondContact O-N 3.18Å; L254-T256 PolarHBondContact O-OG1 3.01Å; L254-T256 VanDerWaalsContact O-OG1 3.08Å; T256-N258 VanDerWaalsContact C-N 3.34Å; T256-E266 PolarHBondContact N-OE1 3.11Å |
| 257 | N | 80.8 | Confident | 83.4 | Confident | 81 Ų | 81 | 52.1 Ų | 52.1 | 43% | 0.433 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -85.2 | -8.3 | 176.3 | 67.4 | 21.8 | 0 | 0 | 0 | 112.6 | D255 D259 E266 | D255-N257 PolarHBondContact OD1-OD1 3.12Å; N257-D259 VanDerWaalsContact C-N 3.25Å; N257-D259 PolarHBondContact ND2-OD2 3.06Å; N257-D259 PolarHBondContact O-N 3.44Å; N257-D259 VanDerWaalsContact OD1-CB 3.3Å; N257-D259 WeakPolarHBondContact OD1-CB 3.4Å; N257-D259 PolarHBondContact OD1-N 3.2Å; N257-D259 PolarHBondContact OD1-OD1 3.01Å; N257-E266 VanDerWaalsContact CG-OE1 3.29Å; N257-E266 PolarHBondContact N-OE1 3.33Å; N257-E266 PolarHBondContact ND2-OE1 3.43Å; N257-E266 PolarHBondContact OD1-OE1 2.94Å |
| 258 | N | 81 | Confident | 82.9 | Confident | 115 Ų | 115 | 54.2 Ų | 54.2 | 62% | 0.615 | 30% | 0.298 | S | S | * | . | trans | 55.8 | 34.4 | -177.2 | -59.3 | -78.3 | 0 | 0 | 0 | 113.2 | D255 T256 L260 | D255-N258 VanDerWaalsContact CG-CA 3.45Å; D255-N258 WeakPolarHBondContact OD1-CA 3.38Å; D255-N258 PolarHBondContact OD1-N 3.42Å; D255-N258 WeakPolarHBondContact OD2-CA 3.36Å; T256-N258 VanDerWaalsContact C-N 3.34Å; N258-L260 VanDerWaalsContact C-N 3.31Å | ||
| 259 | D | 85.9 | Confident | 82.4 | Confident | 57 Ų | 57 | 55.7 Ų | 55.7 | 31% | 0.305 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -86.8 | -1.4 | -179.4 | 81.4 | 0.6 | 0 | 0 | 0 | 113.3 | D255 N257 Y261 K293 | D255-D259 PolarHBondContact OD1-N 3.04Å; N257-D259 VanDerWaalsContact C-N 3.25Å; N257-D259 PolarHBondContact ND2-OD2 3.06Å; N257-D259 PolarHBondContact O-N 3.44Å; N257-D259 VanDerWaalsContact OD1-CB 3.3Å; N257-D259 WeakPolarHBondContact OD1-CB 3.4Å; N257-D259 PolarHBondContact OD1-N 3.2Å; N257-D259 PolarHBondContact OD1-OD1 3.01Å; D259-Y261 WeakPolarHBondContact O-CD2 3.05Å; D259-Y261 PolarHBondContact O-N 3.09Å; D259-Y261 WeakPolarHBondContact OD1-CA 3.02Å; D259-Y261 WeakPolarHBondContact OD1-CB 3.07Å; D259-Y261 PolarHBondContact OD1-N 3.01Å; D259-K293 IonicContact OD2-NZ 3.79Å |
| 260 | L | 85.3 | Confident | 81.7 | Confident | 81 Ų | 81 | 52 Ų | 52 | 42% | 0.424 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 66.2 | 15.2 | -176.5 | -53.5 | 175.6 | 0 | 0 | 0 | 114.5 | F251 D255 N258 T296 | F251-L260 WeakPolarHBondContact CZ-O 3.39Å; D255-L260 WeakPolarHBondContact OD2-CA 3.39Å; D255-L260 PolarHBondContact OD2-N 3.34Å; N258-L260 VanDerWaalsContact C-N 3.31Å; L260-T296 HydrophobicContact CB-CG2 4.03Å; L260-T296 HydrophobicContact CD2-CG2 4.1Å; L260-T296 PolarHBondContact O-N 2.98Å |
| 261 | Y | 88.8 | Confident | 80.7 | Confident | 100 Ų | 100 | 53.2 Ų | 53.2 | 39% | 0.392 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 152.2 | 168.8 | -62 | -94.4 | 0 | 0 | 0 | 108.8 | D259 K293 | D259-Y261 WeakPolarHBondContact O-CD2 3.05Å; D259-Y261 PolarHBondContact O-N 3.09Å; D259-Y261 WeakPolarHBondContact OD1-CA 3.02Å; D259-Y261 WeakPolarHBondContact OD1-CB 3.07Å; D259-Y261 PolarHBondContact OD1-N 3.01Å; Y261-K293 HydrophobicContact CD1-CB 4.28Å; Y261-K293 HydrophobicContact CG-CD 4.48Å |
| 262 | L | 86.6 | Confident | 79.7 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 112.8 | 169.9 | -65.3 | 174.2 | 0 | 0 | 0 | 108.1 | F251 L254 D255 E266 L267 K293 V294 W299 | F251-L262 HydrophobicContact CD2-CD1 3.49Å; F251-L262 VanDerWaalsContact CD2-CD1 3.49Å; F251-L262 HydrophobicContact CD2-CG 3.88Å; F251-L262 HydrophobicContact CE2-CD1 3.55Å; F251-L262 HydrophobicContact CE2-CD2 4.29Å; F251-L262 HydrophobicContact CE2-CG 3.46Å; F251-L262 VanDerWaalsContact CE2-CG 3.46Å; F251-L262 HydrophobicContact CG-CD1 4.39Å; F251-L262 HydrophobicContact CZ-CD1 4.42Å; F251-L262 HydrophobicContact CZ-CD2 4.39Å; F251-L262 HydrophobicContact CZ-CG 3.89Å; L254-L262 HydrophobicContact CB-CD1 4.46Å; L254-L262 HydrophobicContact CB-CD2 3.6Å; L254-L262 HydrophobicContact CD1-CD1 4.37Å; D255-L262 HydrophobicContact CB-CD2 3.96Å; L262-E266 HydrophobicContact CD2-CB 4.3Å; L262-L267 HydrophobicContact CB-CD1 4.41Å; L262-L267 HydrophobicContact CB-CD2 4.09Å; L262-L267 HydrophobicContact CB-CG 3.97Å; L262-L267 HydrophobicContact CD1-CD2 4.08Å; L262-K293 WeakPolarHBondContact O-CA 2.93Å; L262-V294 HydrophobicContact CB-CB 4.47Å; L262-V294 PolarHBondContact N-O 2.97Å; L262-V294 PolarHBondContact O-N 3.49Å; L262-W299 HydrophobicContact CD1-CD2 4.08Å; L262-W299 HydrophobicContact CD1-CE3 3.58Å; L262-W299 HydrophobicContact CD1-CH2 4.4Å; L262-W299 HydrophobicContact CD1-CZ3 3.75Å |
| 263 | D | 86.2 | Confident | 78.3 | Confident | 49 Ų | 49 | 54.2 Ų | 54.2 | 26% | 0.262 | 30% | 0.301 | S | S | . | . | trans | -79.1 | 171.2 | 173.4 | 79 | 16.9 | 0 | 0 | 0 | 111.9 | A265 E266 L267 | D263-A265 PolarHBondContact O-N 2.95Å; D263-A265 WeakPolarHBondContact OD1-CA 3.44Å; D263-A265 WeakPolarHBondContact OD1-CB 3.17Å; D263-A265 PolarHBondContact OD1-N 3.3Å; D263-E266 PolarHBondContact N-OE2 3.45Å; D263-E266 VanDerWaalsContact N-OE2 3.15Å; D263-E266 PolarHBondContact O-N 3.36Å; D263-E266 WeakPolarHBondContact OD1-CG 3.23Å; D263-E266 PolarHBondContact OD1-N 3.21Å; D263-L267 WeakPolarHBondContact O-CB 3.35Å; D263-L267 WeakPolarHBondContact O-CG 3.46Å; D263-L267 PolarHBondContact O-N 3.22Å | ||
| 264 | Q | 80.6 | Confident | 77 | Confident | 89 Ų | 89 | 58.5 Ų | 58.5 | 42% | 0.416 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -24.6 | -179.7 | -176 | 59.6 | 90.7 | 0 | 0 | 113.2 | A268 | Q264-A268 WeakPolarHBondContact O-CB 3.32Å; Q264-A268 PolarHBondContact O-N 2.99Å |
| 265 | A | 80.4 | Confident | 76 | Confident | 70 Ų | 70 | 65.3 Ų | 65.3 | 58% | 0.579 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -37.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D263 A268 A269 | D263-A265 PolarHBondContact O-N 2.95Å; D263-A265 WeakPolarHBondContact OD1-CA 3.44Å; D263-A265 WeakPolarHBondContact OD1-CB 3.17Å; D263-A265 PolarHBondContact OD1-N 3.3Å; A265-A268 WeakPolarHBondContact O-CA 3.44Å; A265-A268 VanDerWaalsContact O-CB 3.29Å; A265-A268 WeakPolarHBondContact O-CB 3.26Å; A265-A268 PolarHBondContact O-N 3.29Å; A265-A268 VanDerWaalsContact O-N 3.11Å; A265-A269 PolarHBondContact O-N 3.12Å |
| 266 | E | 82.7 | Confident | 75.4 | Confident | 16 Ų | 16 | 67.4 Ų | 67.4 | 8% | 0.075 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -40.2 | 172.8 | -69.5 | 174.3 | 139 | 0 | 0 | 111 | T256 N257 L262 D263 A268 A269 | T256-E266 PolarHBondContact N-OE1 3.11Å; N257-E266 VanDerWaalsContact CG-OE1 3.29Å; N257-E266 PolarHBondContact N-OE1 3.33Å; N257-E266 PolarHBondContact ND2-OE1 3.43Å; N257-E266 PolarHBondContact OD1-OE1 2.94Å; L262-E266 HydrophobicContact CD2-CB 4.3Å; D263-E266 PolarHBondContact N-OE2 3.45Å; D263-E266 VanDerWaalsContact N-OE2 3.15Å; D263-E266 PolarHBondContact O-N 3.36Å; D263-E266 WeakPolarHBondContact OD1-CG 3.23Å; D263-E266 PolarHBondContact OD1-N 3.21Å; E266-A268 PolarHBondContact O-N 3.4Å; E266-A269 VanDerWaalsContact O-CB 3.24Å; E266-A269 WeakPolarHBondContact O-CB 3.46Å; E266-A269 PolarHBondContact O-N 3.14Å; E266-A269 VanDerWaalsContact O-N 3.14Å |
| 267 | L | 79.1 | Confident | 75.3 | Confident | 9 Ų | 9 | 66.2 Ų | 66.2 | 5% | 0.047 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -66 | -24.1 | 168.1 | -69.5 | 169.3 | 0 | 0 | 0 | 111.9 | L262 D263 A269 I270 F283 V294 W299 | L262-L267 HydrophobicContact CB-CD1 4.41Å; L262-L267 HydrophobicContact CB-CD2 4.09Å; L262-L267 HydrophobicContact CB-CG 3.97Å; L262-L267 HydrophobicContact CD1-CD2 4.08Å; D263-L267 WeakPolarHBondContact O-CB 3.35Å; D263-L267 WeakPolarHBondContact O-CG 3.46Å; D263-L267 PolarHBondContact O-N 3.22Å; L267-A269 PolarHBondContact O-N 3.12Å; L267-I270 WeakPolarHBondContact O-CG2 3.5Å; L267-I270 PolarHBondContact O-N 3.46Å; L267-F283 HydrophobicContact CD1-CB 4.22Å; L267-F283 HydrophobicContact CD1-CG 4.48Å; L267-F283 HydrophobicContact CD2-CD1 4.14Å; L267-F283 HydrophobicContact CD2-CD2 4.14Å; L267-F283 HydrophobicContact CD2-CE1 4.35Å; L267-F283 HydrophobicContact CD2-CE2 4.31Å; L267-F283 HydrophobicContact CD2-CG 4.05Å; L267-F283 HydrophobicContact CD2-CZ 4.42Å; L267-V294 HydrophobicContact CD1-CG2 4.09Å; L267-W299 HydrophobicContact CD2-CZ3 4Å |
| 268 | A | 72.9 | Confident | 75.4 | Confident | 47 Ų | 47 | 63.4 Ų | 63.4 | 39% | 0.388 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -71 | -17.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q264 A265 E266 I270 N271 | Q264-A268 WeakPolarHBondContact O-CB 3.32Å; Q264-A268 PolarHBondContact O-N 2.99Å; A265-A268 WeakPolarHBondContact O-CA 3.44Å; A265-A268 VanDerWaalsContact O-CB 3.29Å; A265-A268 WeakPolarHBondContact O-CB 3.26Å; A265-A268 PolarHBondContact O-N 3.29Å; A265-A268 VanDerWaalsContact O-N 3.11Å; E266-A268 PolarHBondContact O-N 3.4Å; A268-I270 VanDerWaalsContact C-N 3.29Å; A268-I270 PolarHBondContact O-N 2.91Å; A268-N271 WeakPolarHBondContact O-CB 3.35Å; A268-N271 PolarHBondContact O-N 3.06Å; A268-N271 VanDerWaalsContact O-N 3.12Å |
| 269 | A | 73.3 | Confident | 75.4 | Confident | 48 Ų | 48 | 58 Ų | 58 | 40% | 0.397 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -68.4 | -31 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | M39 L254 A265 E266 L267 | M39-A269 HydrophobicContact CE-CB 3.61Å; M39-A269 HydrophobicContact SD-CB 3.65Å; L254-A269 HydrophobicContact CD2-CB 4.16Å; A265-A269 PolarHBondContact O-N 3.12Å; E266-A269 VanDerWaalsContact O-CB 3.24Å; E266-A269 WeakPolarHBondContact O-CB 3.46Å; E266-A269 PolarHBondContact O-N 3.14Å; E266-A269 VanDerWaalsContact O-N 3.14Å; L267-A269 PolarHBondContact O-N 3.12Å |
| 270 | I | 70.6 | Confident | 75.2 | Confident | 7 Ų | 7 | 61 Ų | 61 | 4% | 0.036 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -83.5 | -2.2 | 173 | -155.9 | 165.1 | 0 | 0 | 0 | 112.1 | L203 W206 F207 L254 L267 A268 L272 I279 F283 | L203-I270 HydrophobicContact CD2-CD1 4.34Å; W206-I270 HydrophobicContact CH2-CG1 4.34Å; W206-I270 HydrophobicContact CZ3-CD1 3.83Å; W206-I270 HydrophobicContact CZ3-CG1 3.83Å; F207-I270 HydrophobicContact CE1-CD1 3.54Å; F207-I270 HydrophobicContact CZ-CD1 3.6Å; L254-I270 HydrophobicContact CD1-CD1 4.24Å; L254-I270 HydrophobicContact CD2-CB 4.3Å; L267-I270 WeakPolarHBondContact O-CG2 3.5Å; L267-I270 PolarHBondContact O-N 3.46Å; A268-I270 VanDerWaalsContact C-N 3.29Å; A268-I270 PolarHBondContact O-N 2.91Å; I270-L272 VanDerWaalsContact C-N 3.35Å; I270-L272 WeakPolarHBondContact O-CD1 3.28Å; I270-L272 PolarHBondContact O-N 3.47Å; I270-I279 HydrophobicContact CG2-CD1 4.16Å; I270-I279 WeakPolarHBondContact O-CD1 3.49Å; I270-F283 HydrophobicContact CD1-CZ 4.46Å; I270-F283 HydrophobicContact CG2-CE2 3.76Å; I270-F283 HydrophobicContact CG2-CZ 4.24Å |
| 271 | N | 62.7 | Low | 75.1 | Confident | 36 Ų | 36 | 59.6 Ų | 59.6 | 19% | 0.193 | 31% | 0.308 | C | S | . | . | trans | -71.1 | 91.1 | -168.9 | -126.9 | -17.1 | 0 | 0 | 0 | 111.6 | A268 D273 I279 R280 | A268-N271 WeakPolarHBondContact O-CB 3.35Å; A268-N271 PolarHBondContact O-N 3.06Å; A268-N271 VanDerWaalsContact O-N 3.12Å; N271-D273 PolarHBondContact ND2-OD2 3.47Å; N271-D273 PolarHBondContact O-N 3.26Å; N271-D273 PolarHBondContact OD1-OD1 3.34Å; N271-D273 PolarHBondContact OD1-OD2 2.94Å; N271-I279 WeakPolarHBondContact OD1-CG2 3.4Å; N271-R280 PolarHBondContact ND2-NE 3.47Å; N271-R280 PolarHBondContact ND2-NH2 3.24Å | ||
| 272 | L | 64.1 | Low | 75 | Confident | 43 Ų | 43 | 55.2 Ų | 55.2 | 23% | 0.225 | 29% | 0.291 | C | S | . | . | trans | -74.1 | 34.1 | 162.9 | -71.1 | 122.3 | 0 | 0 | 0 | 110.6 | I270 K274 Y275 E276 I279 | I270-L272 VanDerWaalsContact C-N 3.35Å; I270-L272 WeakPolarHBondContact O-CD1 3.28Å; I270-L272 PolarHBondContact O-N 3.47Å; L272-K274 PolarHBondContact O-N 3.48Å; L272-Y275 HydrophobicContact CD2-CD2 4.27Å; L272-Y275 CarbonylContact O-C 3.56Å; L272-Y275 WeakPolarHBondContact O-CA 3.06Å; L272-Y275 PolarHBondContact O-N 3.19Å; L272-E276 PolarHBondContact O-N 3Å; L272-I279 HydrophobicContact CD1-CD1 4.44Å | ||
| 273 | D | 54.5 | Low | 74.9 | Confident | 63 Ų | 63 | 55.7 Ų | 55.7 | 34% | 0.337 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -26 | -175.9 | -83.2 | -39.8 | 0 | 0 | 0 | 113.3 | N271 Y275 R280 | N271-D273 PolarHBondContact ND2-OD2 3.47Å; N271-D273 PolarHBondContact O-N 3.26Å; N271-D273 PolarHBondContact OD1-OD1 3.34Å; N271-D273 PolarHBondContact OD1-OD2 2.94Å; D273-Y275 VanDerWaalsContact C-N 3.27Å; D273-Y275 PolarHBondContact O-N 3.02Å; D273-R280 IonicContact OD1-CZ 3.94Å; D273-R280 IonicContact OD1-NE 2.68Å; D273-R280 PolarHBondContact OD1-NE 3Å; D273-R280 IonicContact OD1-NH2 3.35Å; D273-R280 IonicContact OD2-CZ 3.69Å; D273-R280 IonicContact OD2-NE 3.7Å; D273-R280 PolarHBondContact OD2-NE 3.33Å; D273-R280 IonicContact OD2-NH2 2.72Å; D273-R280 PolarHBondContact OD2-NH2 3.46Å |
| 274 | K | 55.3 | Low | 74.8 | Confident | 192 Ų | 192 | 58 Ų | 58 | 84% | 0.835 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -14.7 | 176.1 | -67.6 | -174.8 | -179.2 | 177.8 | 0 | 114.2 | L272 | L272-K274 PolarHBondContact O-N 3.48Š|
| 275 | Y | 60.9 | Low | 75 | Confident | 153 Ų | 153 | 56.6 Ų | 56.6 | 60% | 0.6 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.1 | -27 | -171.6 | -57.8 | -73.6 | 0 | 0 | 0 | 113.2 | L272 D273 | L272-Y275 HydrophobicContact CD2-CD2 4.27Å; L272-Y275 CarbonylContact O-C 3.56Å; L272-Y275 WeakPolarHBondContact O-CA 3.06Å; L272-Y275 PolarHBondContact O-N 3.19Å; D273-Y275 VanDerWaalsContact C-N 3.27Å; D273-Y275 PolarHBondContact O-N 3.02Å |
| 276 | E | 71.3 | Confident | 75.2 | Confident | 50 Ų | 50 | 53.5 Ų | 53.5 | 23% | 0.234 | 28% | 0.28 | C | S | . | . | trans | -134.2 | 103.7 | -178.4 | -64.1 | -67.1 | 158.2 | 0 | 0 | 111 | L199 R202 L272 C278 I279 | L199-E276 HydrophobicContact CD1-CB 4.5Å; L199-E276 HydrophobicContact CD1-CG 4.27Å; R202-E276 IonicContact CZ-OE1 3.78Å; R202-E276 IonicContact CZ-OE2 2.78Å; R202-E276 IonicContact NH1-OE1 3.7Å; R202-E276 PolarHBondContact NH1-OE1 3.43Å; R202-E276 IonicContact NH1-OE2 3.72Å; R202-E276 PolarHBondContact NH1-OE2 3.47Å; R202-E276 IonicContact NH2-OE1 2.83Å; R202-E276 IonicContact NH2-OE2 3.2Å; R202-E276 PolarHBondContact NH2-OE2 3.37Å; L272-E276 PolarHBondContact O-N 3Å; E276-C278 PolarHBondContact O-N 2.93Å; E276-I279 WeakPolarHBondContact O-CG2 3.4Å | ||
| 277 | V | 77.9 | Confident | 75.4 | Confident | 85 Ų | 85 | 53.4 Ų | 53.4 | 52% | 0.515 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -23.8 | -179.7 | -178.5 | 0 | 0 | 0 | 0 | 112.1 | E189 | E189-V277 HydrophobicContact CB-CG1 4.26Š|
| 278 | C | 82.4 | Confident | 75.7 | Confident | 21 Ų | 21 | 56.8 Ų | 56.8 | 14% | 0.142 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | 0.7 | -172.1 | -64.3 | 0 | 0 | 0 | 0 | 115.4 | C191 L196 L199 E276 P281 F282 | C191-C278 HydrophobicContact CB-CB 3.83Å; C191-C278 WeakPolarHBondContact CB-SG 3.34Å; C191-C278 WeakPolarHBondContact SG-CA 3.45Å; C191-C278 WeakPolarHBondContact SG-CB 3.33Å; C191-C278 CovalentContact SG-SG 2.03Å; C191-C278 PolarHBondContact SG-SG 2.75Å; L196-C278 HydrophobicContact CD2-CB 4.11Å; L199-C278 VanDerWaalsContact CD2-C 3.4Å; L199-C278 HydrophobicContact CD2-CB 3.92Å; L199-C278 WeakPolarHBondContact CD2-O 3.49Å; E276-C278 PolarHBondContact O-N 2.93Å; C278-P281 WeakPolarHBondContact O-CD 3.45Å; C278-F282 WeakPolarHBondContact O-CB 3.48Å; C278-F282 PolarHBondContact O-N 2.77Å |
| 279 | I | 82.3 | Confident | 76.1 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.4 | -40.7 | -176.4 | -163.4 | 164.1 | 0 | 0 | 0 | 113.3 | L199 I270 N271 L272 E276 F282 F283 | L199-I279 HydrophobicContact CD2-CB 4.18Å; I270-I279 HydrophobicContact CG2-CD1 4.16Å; I270-I279 WeakPolarHBondContact O-CD1 3.49Å; N271-I279 WeakPolarHBondContact OD1-CG2 3.4Å; L272-I279 HydrophobicContact CD1-CD1 4.44Å; E276-I279 WeakPolarHBondContact O-CG2 3.4Å; I279-F282 WeakPolarHBondContact O-CB 3.3Å; I279-F282 PolarHBondContact O-N 3.45Å; I279-F283 HydrophobicContact CD1-CE2 4.1Å; I279-F283 HydrophobicContact CG1-CD2 3.97Å; I279-F283 HydrophobicContact CG1-CE2 3.48Å; I279-F283 VanDerWaalsContact CG1-CE2 3.48Å; I279-F283 HydrophobicContact CG1-CZ 4.47Å; I279-F283 WeakPolarHBondContact O-CD2 3.38Å; I279-F283 PolarHBondContact O-N 3.2Å; I279-F283 VanDerWaalsContact O-N 3.13Å |
| 280 | R | 80.8 | Confident | 76.6 | Confident | 119 Ų | 119 | 71.3 Ų | 71.3 | 45% | 0.449 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -70.7 | -48 | 177 | -52.5 | 176.5 | 176.8 | -149 | -5.9 | 111.8 | N271 D273 F282 F283 N284 | N271-R280 PolarHBondContact ND2-NE 3.47Å; N271-R280 PolarHBondContact ND2-NH2 3.24Å; D273-R280 IonicContact OD1-CZ 3.94Å; D273-R280 IonicContact OD1-NE 2.68Å; D273-R280 PolarHBondContact OD1-NE 3Å; D273-R280 IonicContact OD1-NH2 3.35Å; D273-R280 IonicContact OD2-CZ 3.69Å; D273-R280 IonicContact OD2-NE 3.7Å; D273-R280 PolarHBondContact OD2-NE 3.33Å; D273-R280 IonicContact OD2-NH2 2.72Å; D273-R280 PolarHBondContact OD2-NH2 3.46Å; R280-F282 PolarHBondContact O-N 3.04Å; R280-F283 PolarHBondContact O-N 2.89Å; R280-N284 WeakPolarHBondContact O-CB 3.4Å; R280-N284 PolarHBondContact O-N 3.22Å; R280-N284 PolarHBondContact O-ND2 2.87Å; R280-N284 PolarHBondContact O-OD1 3.29Å |
| 281 | P | 84.5 | Confident | 77.3 | Confident | 52 Ų | 52 | 75 Ų | 75 | 34% | 0.338 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -56.4 | -35 | 171.6 | -26.2 | 35 | 0 | 0 | 0 | 113.6 | L196 C278 S285 | L196-P281 HydrophobicContact CD2-CB 4.14Å; C278-P281 WeakPolarHBondContact O-CD 3.45Å; P281-S285 PolarHBondContact O-N 3.39Å |
| 282 | F | 84.9 | Confident | 78.3 | Confident | 9 Ų | 9 | 75.7 Ų | 75.7 | 4% | 0.039 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.7 | -53.3 | 177.2 | 176.2 | -96.8 | 0 | 0 | 0 | 112.2 | L196 L199 L203 C278 I279 R280 N284 S285 C286 F303 | L196-F282 HydrophobicContact CB-CD2 4.13Å; L196-F282 HydrophobicContact CD2-CB 3.87Å; L196-F282 WeakPolarHBondContact O-CD2 3.5Å; L196-F282 VanDerWaalsContact O-CE2 3.23Å; L196-F282 WeakPolarHBondContact O-CE2 3.23Å; L199-F282 HydrophobicContact CD2-CB 3.94Å; L199-F282 HydrophobicContact CD2-CG 4.31Å; L203-F282 HydrophobicContact CD1-CD1 4.27Å; L203-F282 HydrophobicContact CD1-CE1 4.13Å; C278-F282 WeakPolarHBondContact O-CB 3.48Å; C278-F282 PolarHBondContact O-N 2.77Å; I279-F282 WeakPolarHBondContact O-CB 3.3Å; I279-F282 PolarHBondContact O-N 3.45Å; R280-F282 PolarHBondContact O-N 3.04Å; F282-N284 VanDerWaalsContact C-N 3.28Å; F282-N284 PolarHBondContact O-N 3.2Å; F282-S285 WeakPolarHBondContact O-CA 3.42Å; F282-S285 WeakPolarHBondContact O-CB 2.89Å; F282-S285 PolarHBondContact O-N 2.99Å; F282-S285 PolarHBondContact O-OG 3.41Å; F282-C286 PolarHBondContact O-N 3.37Å; F282-C286 VanDerWaalsContact O-N 3.11Å; F282-C286 PolarHBondContact O-SG 3.27Å; F282-F303 AromaticContact CE1-CE1 3.75Å; F282-F303 HydrophobicContact CE1-CE1 3.75Å; F282-F303 HydrophobicContact CE1-CE2 4.45Å; F282-F303 AromaticContact CE1-CZ 3.64Å; F282-F303 HydrophobicContact CE1-CZ 3.64Å; F282-F303 HydrophobicContact CZ-CD1 4.29Å; F282-F303 AromaticContact CZ-CE1 3.76Å; F282-F303 HydrophobicContact CZ-CE1 3.76Å; F282-F303 HydrophobicContact CZ-CZ 4.1Å |
| 283 | F | 85.4 | Confident | 79.4 | Confident | 9 Ų | 9 | 77.3 Ų | 77.3 | 4% | 0.039 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.4 | -32 | 179.1 | -68.3 | -58.1 | 0 | 0 | 0 | 112.9 | L203 L267 I270 I279 R280 S285 C286 D287 W299 F303 | L203-F283 HydrophobicContact CD1-CZ 4.06Å; L267-F283 HydrophobicContact CD1-CB 4.22Å; L267-F283 HydrophobicContact CD1-CG 4.48Å; L267-F283 HydrophobicContact CD2-CD1 4.14Å; L267-F283 HydrophobicContact CD2-CD2 4.14Å; L267-F283 HydrophobicContact CD2-CE1 4.35Å; L267-F283 HydrophobicContact CD2-CE2 4.31Å; L267-F283 HydrophobicContact CD2-CG 4.05Å; L267-F283 HydrophobicContact CD2-CZ 4.42Å; I270-F283 HydrophobicContact CD1-CZ 4.46Å; I270-F283 HydrophobicContact CG2-CE2 3.76Å; I270-F283 HydrophobicContact CG2-CZ 4.24Å; I279-F283 HydrophobicContact CD1-CE2 4.1Å; I279-F283 HydrophobicContact CG1-CD2 3.97Å; I279-F283 HydrophobicContact CG1-CE2 3.48Å; I279-F283 VanDerWaalsContact CG1-CE2 3.48Å; I279-F283 HydrophobicContact CG1-CZ 4.47Å; I279-F283 WeakPolarHBondContact O-CD2 3.38Å; I279-F283 PolarHBondContact O-N 3.2Å; I279-F283 VanDerWaalsContact O-N 3.13Å; R280-F283 PolarHBondContact O-N 2.89Å; F283-S285 PolarHBondContact O-N 3.08Å; F283-C286 WeakPolarHBondContact O-CB 3.33Å; F283-C286 PolarHBondContact O-N 3.39Å; F283-C286 VanDerWaalsContact O-N 3.08Å; F283-D287 PolarHBondContact O-N 2.85Å; F283-D287 VanDerWaalsContact O-N 3.17Å; F283-W299 HydrophobicContact CD1-CE3 4.4Å; F283-W299 AromaticContact CD1-CZ3 3.89Å; F283-W299 HydrophobicContact CD1-CZ3 3.89Å; F283-W299 HydrophobicContact CE1-CE3 4Å; F283-W299 AromaticContact CE1-CH2 3.79Å; F283-W299 HydrophobicContact CE1-CH2 3.79Å; F283-W299 AromaticContact CE1-CZ3 3.19Å; F283-W299 HydrophobicContact CE1-CZ3 3.19Å; F283-W299 HydrophobicContact CZ-CH2 4.03Å; F283-W299 AromaticContact CZ-CZ3 3.81Å; F283-W299 HydrophobicContact CZ-CZ3 3.81Å; F283-F303 HydrophobicContact CE1-CE2 4.14Å; F283-F303 AromaticContact CE1-CZ 3.89Å; F283-F303 HydrophobicContact CE1-CZ 3.89Å; F283-F303 HydrophobicContact CZ-CZ 4.36Å |
| 284 | N | 84.5 | Confident | 81.1 | Confident | 98 Ų | 98 | 74.5 Ų | 74.5 | 52% | 0.524 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.6 | -27.1 | 171 | -66.3 | -7.9 | 0 | 0 | 0 | 112.8 | R280 F282 C286 | R280-N284 WeakPolarHBondContact O-CB 3.4Å; R280-N284 PolarHBondContact O-N 3.22Å; R280-N284 PolarHBondContact O-ND2 2.87Å; R280-N284 PolarHBondContact O-OD1 3.29Å; F282-N284 VanDerWaalsContact C-N 3.28Å; F282-N284 PolarHBondContact O-N 3.2Å; N284-C286 VanDerWaalsContact C-N 3.35Å |
| 285 | S | 84.4 | Confident | 82.7 | Confident | 60 Ų | 60 | 66 Ų | 66 | 42% | 0.42 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -79.5 | -20.2 | 173 | 78.5 | 0 | 0 | 0 | 0 | 113.1 | P281 F282 F283 | P281-S285 PolarHBondContact O-N 3.39Å; F282-S285 WeakPolarHBondContact O-CA 3.42Å; F282-S285 WeakPolarHBondContact O-CB 2.89Å; F282-S285 PolarHBondContact O-N 2.99Å; F282-S285 PolarHBondContact O-OG 3.41Å; F283-S285 PolarHBondContact O-N 3.08Å |
| 286 | C | 84.7 | Confident | 83.8 | Confident | 4 Ų | 4 | 60 Ų | 60 | 3% | 0.027 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -78.5 | -29.7 | 174.5 | -57.7 | 0 | 0 | 0 | 0 | 112.3 | F282 F283 N284 S288 C302 | F282-C286 PolarHBondContact O-N 3.37Å; F282-C286 VanDerWaalsContact O-N 3.11Å; F282-C286 PolarHBondContact O-SG 3.27Å; F283-C286 WeakPolarHBondContact O-CB 3.33Å; F283-C286 PolarHBondContact O-N 3.39Å; F283-C286 VanDerWaalsContact O-N 3.08Å; N284-C286 VanDerWaalsContact C-N 3.35Å; C286-S288 PolarHBondContact O-N 3.32Å; C286-S288 PolarHBondContact O-OG 3.35Å; C286-C302 HydrophobicContact CB-CB 3.46Å; C286-C302 VanDerWaalsContact CB-CB 3.46Å; C286-C302 WeakPolarHBondContact CB-SG 3.23Å; C286-C302 WeakPolarHBondContact SG-CB 3.48Å; C286-C302 CovalentContact SG-SG 2.02Å; C286-C302 PolarHBondContact SG-SG 3.39Å |
| 287 | D | 87.9 | Confident | 84.4 | Confident | 15 Ų | 15 | 59.6 Ų | 59.6 | 8% | 0.08 | 32% | 0.315 | C | S | . | . | trans | -70.8 | 95 | 176.9 | -179 | 3.4 | 0 | 0 | 0 | 110.4 | F283 Y289 R290 D291 G292 V294 | F283-D287 PolarHBondContact O-N 2.85Å; F283-D287 VanDerWaalsContact O-N 3.17Å; D287-Y289 PolarHBondContact OD1-N 2.79Å; D287-R290 VanDerWaalsContact CG-CA 3.44Å; D287-R290 VanDerWaalsContact OD1-CA 3.25Å; D287-R290 WeakPolarHBondContact OD1-CA 3.3Å; D287-R290 PolarHBondContact OD1-N 2.74Å; D287-R290 VanDerWaalsContact OD2-C 3.3Å; D287-R290 WeakPolarHBondContact OD2-CA 3.25Å; D287-D291 PolarHBondContact OD1-N 3.22Å; D287-D291 PolarHBondContact OD2-N 3.22Å; D287-D291 VanDerWaalsContact OD2-N 3.13Å; D287-G292 WeakPolarHBondContact OD2-CA 3.23Å; D287-G292 PolarHBondContact OD2-N 3.05Å; D287-V294 HydrophobicContact CB-CG2 4.44Å | ||
| 288 | S | 83.8 | Confident | 84.8 | Confident | 79 Ų | 79 | 55.9 Ų | 55.9 | 55% | 0.552 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -76.6 | -32.9 | -177.2 | -61.5 | 0 | 0 | 0 | 0 | 111.2 | C286 E298 | C286-S288 PolarHBondContact O-N 3.32Å; C286-S288 PolarHBondContact O-OG 3.35Å; S288-E298 WeakPolarHBondContact CA-OE1 3.3Å; S288-E298 WeakPolarHBondContact CB-OE1 2.91Å; S288-E298 PolarHBondContact N-OE1 2.97Å |
| 289 | Y | 82.8 | Confident | 85 | Confident | 179 Ų | 179 | 54.9 Ų | 54.9 | 70% | 0.702 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -82.8 | -13.7 | 177.9 | -61.7 | -66.1 | 0 | 0 | 0 | 113.5 | D287 D291 E298 | D287-Y289 PolarHBondContact OD1-N 2.79Å; Y289-D291 PolarHBondContact O-N 3.44Å; Y289-E298 HydrophobicContact CD2-CG 4.4Å; Y289-E298 WeakPolarHBondContact CD2-OE1 3.46Å; Y289-E298 HydrophobicContact CE2-CG 4.38Å; Y289-E298 PolarHBondContact N-OE1 3.2Å; Y289-E298 VanDerWaalsContact N-OE1 3.13Å |
| 290 | R | 83.1 | Confident | 85.1 | Confident | 221 Ų | 221 | 55.1 Ų | 55.1 | 83% | 0.834 | 29% | 0.287 | S | S | * | . | trans | 57 | 34.5 | -178.1 | -56.6 | -176.3 | 179.8 | -157.7 | 0.1 | 112.8 | D287 G292 | D287-R290 VanDerWaalsContact CG-CA 3.44Å; D287-R290 VanDerWaalsContact OD1-CA 3.25Å; D287-R290 WeakPolarHBondContact OD1-CA 3.3Å; D287-R290 PolarHBondContact OD1-N 2.74Å; D287-R290 VanDerWaalsContact OD2-C 3.3Å; D287-R290 WeakPolarHBondContact OD2-CA 3.25Å; R290-G292 VanDerWaalsContact C-N 3.3Å | ||
| 291 | D | 86 | Confident | 85.2 | Confident | 85 Ų | 85 | 55 Ų | 55 | 46% | 0.455 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -89.3 | 1 | 179.9 | 69.5 | 2 | 0 | 0 | 0 | 112.6 | D287 Y289 K293 | D287-D291 PolarHBondContact OD1-N 3.22Å; D287-D291 PolarHBondContact OD2-N 3.22Å; D287-D291 VanDerWaalsContact OD2-N 3.13Å; Y289-D291 PolarHBondContact O-N 3.44Å; D291-K293 PolarHBondContact O-N 2.03Å; D291-K293 WeakPolarHBondContact OD1-CA 3.45Å; D291-K293 WeakPolarHBondContact OD1-CB 3.34Å; D291-K293 PolarHBondContact OD1-N 3Å |
| 292 | G | 83.2 | Confident | 85.2 | Confident | 51 Ų | 51 | 53 Ų | 53 | 53% | 0.526 | 28% | 0.282 | S | S | . | . | S | Bend | trans | 76.4 | 9.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | D287 R290 | D287-G292 WeakPolarHBondContact OD2-CA 3.23Å; D287-G292 PolarHBondContact OD2-N 3.05Å; R290-G292 VanDerWaalsContact C-N 3.3Å |
| 293 | K | 87.8 | Confident | 85 | Confident | 77 Ų | 77 | 52.8 Ų | 52.8 | 34% | 0.335 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -123.4 | 153.8 | 174.2 | -62.5 | -173.9 | 170.2 | -141.6 | 0 | 108.4 | D259 Y261 L262 D291 | D259-K293 IonicContact OD2-NZ 3.79Å; Y261-K293 HydrophobicContact CD1-CB 4.28Å; Y261-K293 HydrophobicContact CG-CD 4.48Å; L262-K293 WeakPolarHBondContact O-CA 2.93Å; D291-K293 PolarHBondContact O-N 2.03Å; D291-K293 WeakPolarHBondContact OD1-CA 3.45Å; D291-K293 WeakPolarHBondContact OD1-CB 3.34Å; D291-K293 PolarHBondContact OD1-N 3Å |
| 294 | V | 88.4 | Confident | 84.3 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.024 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 110.4 | 173.6 | -177.3 | 0 | 0 | 0 | 0 | 107.9 | L262 L267 D287 E298 W299 | L262-V294 HydrophobicContact CB-CB 4.47Å; L262-V294 PolarHBondContact N-O 2.97Å; L262-V294 PolarHBondContact O-N 3.49Å; L267-V294 HydrophobicContact CD1-CG2 4.09Å; D287-V294 HydrophobicContact CB-CG2 4.44Å; V294-E298 HydrophobicContact CG1-CB 3.96Å; V294-W299 HydrophobicContact CG1-CB 3.97Å; V294-W299 HydrophobicContact CG1-CE3 4.37Å |
| 295 | S | 89.1 | Confident | 83.4 | Confident | 12 Ų | 12 | 60.7 Ų | 60.7 | 8% | 0.084 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 160.5 | 175.6 | 63.7 | 0 | 0 | 0 | 0 | 111.8 | A297 E298 W299 | S295-A297 PolarHBondContact O-N 3.46Å; S295-E298 WeakPolarHBondContact CB-OE2 3.49Å; S295-E298 PolarHBondContact N-OE2 2.03Å; S295-E298 PolarHBondContact O-N 3.43Å; S295-E298 WeakPolarHBondContact OG-CB 3.38Å; S295-E298 VanDerWaalsContact OG-CG 3.3Å; S295-E298 WeakPolarHBondContact OG-CG 3.29Å; S295-E298 PolarHBondContact OG-N 2.67Å; S295-E298 PolarHBondContact OG-OE2 3.37Å; S295-W299 WeakPolarHBondContact O-CB 3.45Å; S295-W299 PolarHBondContact O-N 2.79Å |
| 296 | T | 84.6 | Confident | 82.4 | Confident | 29 Ų | 29 | 65.8 Ų | 65.8 | 18% | 0.178 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -48.1 | -44.4 | 170.8 | 47.9 | 0 | 0 | 0 | 0 | 113 | F251 L260 C300 | F251-T296 HydrophobicContact CD1-CG2 3.72Å; F251-T296 HydrophobicContact CD2-CG2 4.49Å; F251-T296 HydrophobicContact CE1-CG2 3.18Å; F251-T296 HydrophobicContact CE2-CG2 3.99Å; F251-T296 HydrophobicContact CG-CG2 4.37Å; F251-T296 HydrophobicContact CZ-CG2 3.33Å; L260-T296 HydrophobicContact CB-CG2 4.03Å; L260-T296 HydrophobicContact CD2-CG2 4.1Å; L260-T296 PolarHBondContact O-N 2.98Å; T296-C300 WeakPolarHBondContact O-CB 3.26Å; T296-C300 PolarHBondContact O-N 3.02Å; T296-C300 PolarHBondContact O-SG 3.5Å |
| 297 | A | 83.6 | Confident | 81.6 | Confident | 41 Ų | 41 | 67.9 Ų | 67.9 | 34% | 0.339 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.2 | -44.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S295 C300 L301 | S295-A297 PolarHBondContact O-N 3.46Å; A297-C300 PolarHBondContact O-N 3.24Å; A297-L301 WeakPolarHBondContact O-CB 3.06Å; A297-L301 VanDerWaalsContact O-CG 3.23Å; A297-L301 WeakPolarHBondContact O-CG 3.37Å; A297-L301 PolarHBondContact O-N 3.47Å |
| 298 | E | 87.6 | Confident | 81 | Confident | 6 Ų | 6 | 68 Ų | 68 | 3% | 0.028 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66 | -39.6 | 177 | -73.1 | 168.3 | 129.2 | 0 | 0 | 112.2 | S288 Y289 V294 S295 L301 C302 | S288-E298 WeakPolarHBondContact CA-OE1 3.3Å; S288-E298 WeakPolarHBondContact CB-OE1 2.91Å; S288-E298 PolarHBondContact N-OE1 2.97Å; Y289-E298 HydrophobicContact CD2-CG 4.4Å; Y289-E298 WeakPolarHBondContact CD2-OE1 3.46Å; Y289-E298 HydrophobicContact CE2-CG 4.38Å; Y289-E298 PolarHBondContact N-OE1 3.2Å; Y289-E298 VanDerWaalsContact N-OE1 3.13Å; V294-E298 HydrophobicContact CG1-CB 3.96Å; S295-E298 WeakPolarHBondContact CB-OE2 3.49Å; S295-E298 PolarHBondContact N-OE2 2.03Å; S295-E298 PolarHBondContact O-N 3.43Å; S295-E298 WeakPolarHBondContact OG-CB 3.38Å; S295-E298 VanDerWaalsContact OG-CG 3.3Å; S295-E298 WeakPolarHBondContact OG-CG 3.29Å; S295-E298 PolarHBondContact OG-N 2.67Å; S295-E298 PolarHBondContact OG-OE2 3.37Å; E298-L301 PolarHBondContact O-N 3.47Å; E298-C302 VanDerWaalsContact O-CB 3.23Å; E298-C302 WeakPolarHBondContact O-CB 3.22Å; E298-C302 PolarHBondContact O-N 3.07Å |
| 299 | W | 86.2 | Confident | 80.9 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.6 | -52.6 | 173.6 | 176.7 | -97.6 | 0 | 0 | 0 | 110.9 | F207 I247 M250 F251 L254 L262 L267 F283 V294 S295 C302 F303 | F207-W299 HydrophobicContact CE2-CH2 4.13Å; F207-W299 AromaticContact CE2-CZ2 3.61Å; F207-W299 HydrophobicContact CE2-CZ2 3.61Å; F207-W299 AromaticContact CZ-CH2 3.94Å; F207-W299 HydrophobicContact CZ-CH2 3.94Å; F207-W299 AromaticContact CZ-CZ2 3.81Å; F207-W299 HydrophobicContact CZ-CZ2 3.81Å; I247-W299 VanDerWaalsContact CG2-NE1 3.25Å; I247-W299 PolarHBondContact O-NE1 2.91Å; M250-W299 HydrophobicContact CG-CZ2 4.21Å; F251-W299 HydrophobicContact CB-CG 4.44Å; F251-W299 HydrophobicContact CD2-CB 3.68Å; F251-W299 AromaticContact CD2-CD1 3.67Å; F251-W299 AromaticContact CD2-CD2 3.96Å; F251-W299 HydrophobicContact CD2-CD2 3.96Å; F251-W299 AromaticContact CD2-CG 3.5Å; F251-W299 HydrophobicContact CD2-CG 3.5Å; F251-W299 HydrophobicContact CE2-CB 3.98Å; F251-W299 HydrophobicContact CE2-CG 4.27Å; F251-W299 HydrophobicContact CG-CG 4.41Å; L254-W299 HydrophobicContact CD1-CH2 3.86Å; L254-W299 HydrophobicContact CD1-CZ2 4.32Å; L262-W299 HydrophobicContact CD1-CD2 4.08Å; L262-W299 HydrophobicContact CD1-CE3 3.58Å; L262-W299 HydrophobicContact CD1-CH2 4.4Å; L262-W299 HydrophobicContact CD1-CZ3 3.75Å; L267-W299 HydrophobicContact CD2-CZ3 4Å; F283-W299 HydrophobicContact CD1-CE3 4.4Å; F283-W299 AromaticContact CD1-CZ3 3.89Å; F283-W299 HydrophobicContact CD1-CZ3 3.89Å; F283-W299 HydrophobicContact CE1-CE3 4Å; F283-W299 AromaticContact CE1-CH2 3.79Å; F283-W299 HydrophobicContact CE1-CH2 3.79Å; F283-W299 AromaticContact CE1-CZ3 3.19Å; F283-W299 HydrophobicContact CE1-CZ3 3.19Å; F283-W299 HydrophobicContact CZ-CH2 4.03Å; F283-W299 AromaticContact CZ-CZ3 3.81Å; F283-W299 HydrophobicContact CZ-CZ3 3.81Å; V294-W299 HydrophobicContact CG1-CB 3.97Å; V294-W299 HydrophobicContact CG1-CE3 4.37Å; S295-W299 WeakPolarHBondContact O-CB 3.45Å; S295-W299 PolarHBondContact O-N 2.79Å; W299-C302 PolarHBondContact O-N 3.42Å; W299-F303 HydrophobicContact CD2-CD2 4.05Å; W299-F303 AromaticContact CD2-CE2 3.7Å; W299-F303 HydrophobicContact CD2-CE2 3.7Å; W299-F303 AromaticContact CE2-CD2 3.87Å; W299-F303 AromaticContact CE2-CE2 3.53Å; W299-F303 AromaticContact CE3-CE2 3.82Å; W299-F303 HydrophobicContact CE3-CE2 3.82Å; W299-F303 HydrophobicContact CG-CD2 4.39Å; W299-F303 HydrophobicContact CG-CE2 4.48Å; W299-F303 AromaticContact CH2-CE2 3.64Å; W299-F303 HydrophobicContact CH2-CE2 3.64Å; W299-F303 HydrophobicContact CH2-CZ 4.11Å; W299-F303 HydrophobicContact CZ2-CD2 4.21Å; W299-F303 AromaticContact CZ2-CE2 3.5Å; W299-F303 HydrophobicContact CZ2-CE2 3.5Å; W299-F303 HydrophobicContact CZ2-CZ 4.22Å; W299-F303 AromaticContact CZ3-CE2 3.81Å; W299-F303 HydrophobicContact CZ3-CE2 3.81Å; W299-F303 HydrophobicContact CZ3-CZ 4.43Å; W299-F303 VanDerWaalsContact O-CD2 3.25Å; W299-F303 WeakPolarHBondContact O-CD2 3.32Å; W299-F303 PolarHBondContact O-N 2.96Å |
| 300 | C | 85.1 | Confident | 81.1 | Confident | 8 Ų | 8 | 57.6 Ų | 57.6 | 5% | 0.054 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.4 | -48.6 | 180 | -61 | 0 | 0 | 0 | 0 | 110.2 | C243 T296 A297 C302 F303 W304 | C243-C300 HydrophobicContact CB-CB 3.93Å; C243-C300 WeakPolarHBondContact CB-SG 3.22Å; C243-C300 WeakPolarHBondContact SG-CB 3.49Å; C243-C300 CovalentContact SG-SG 2.03Å; C243-C300 PolarHBondContact SG-SG 2.85Å; T296-C300 WeakPolarHBondContact O-CB 3.26Å; T296-C300 PolarHBondContact O-N 3.02Å; T296-C300 PolarHBondContact O-SG 3.5Å; A297-C300 PolarHBondContact O-N 3.24Å; C300-C302 VanDerWaalsContact C-N 3.33Å; C300-C302 PolarHBondContact O-N 2.99Å; C300-F303 CarbonylContact O-C 3.57Å; C300-F303 PolarHBondContact O-N 2.7Å; C300-W304 HydrophobicContact CB-CE3 4.17Å; C300-W304 HydrophobicContact CB-CZ3 4.38Å; C300-W304 VanDerWaalsContact O-CB 3.3Å; C300-W304 WeakPolarHBondContact O-CB 3.37Å; C300-W304 PolarHBondContact O-N 3.15Å |
| 301 | L | 82.2 | Confident | 81.1 | Confident | 115 Ų | 115 | 48.2 Ų | 48.2 | 60% | 0.602 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -58.8 | -39.7 | 176.8 | -73.9 | 170.6 | 0 | 0 | 0 | 113.1 | A297 E298 F303 W304 R305 | A297-L301 WeakPolarHBondContact O-CB 3.06Å; A297-L301 VanDerWaalsContact O-CG 3.23Å; A297-L301 WeakPolarHBondContact O-CG 3.37Å; A297-L301 PolarHBondContact O-N 3.47Å; E298-L301 PolarHBondContact O-N 3.47Å; L301-F303 VanDerWaalsContact C-N 3.29Å; L301-F303 PolarHBondContact O-N 3.31Å; L301-W304 CarbonylContact O-C 3.56Å; L301-W304 PolarHBondContact O-N 2.98Å; L301-W304 VanDerWaalsContact O-N 3.08Å; L301-R305 PolarHBondContact O-N 2.96Å |
| 302 | C | 84.4 | Confident | 80.9 | Confident | 12 Ų | 12 | 46 Ų | 46 | 8% | 0.081 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.6 | -39.8 | -179.9 | -161 | 0 | 0 | 0 | 0 | 111.6 | C286 E298 W299 C300 | C286-C302 HydrophobicContact CB-CB 3.46Å; C286-C302 VanDerWaalsContact CB-CB 3.46Å; C286-C302 WeakPolarHBondContact CB-SG 3.23Å; C286-C302 WeakPolarHBondContact SG-CB 3.48Å; C286-C302 CovalentContact SG-SG 2.02Å; C286-C302 PolarHBondContact SG-SG 3.39Å; E298-C302 VanDerWaalsContact O-CB 3.23Å; E298-C302 WeakPolarHBondContact O-CB 3.22Å; E298-C302 PolarHBondContact O-N 3.07Å; W299-C302 PolarHBondContact O-N 3.42Å; C300-C302 VanDerWaalsContact C-N 3.33Å; C300-C302 PolarHBondContact O-N 2.99Å |
| 303 | F | 81.4 | Confident | 80.9 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -89.3 | -6.2 | 174.2 | -64.3 | -71.6 | 0 | 0 | 0 | 114 | L203 K204 F207 I247 F282 F283 W299 C300 L301 | L203-F303 HydrophobicContact CB-CE1 3.75Å; L203-F303 HydrophobicContact CB-CZ 4.24Å; L203-F303 HydrophobicContact CD1-CE1 4.14Å; L203-F303 HydrophobicContact CD1-CZ 4.13Å; K204-F303 HydrophobicContact CD-CB 4.26Å; K204-F303 HydrophobicContact CD-CD1 4.3Å; K204-F303 WeakPolarHBondContact CD-O 3.46Å; K204-F303 WeakPolarHBondContact CE-O 3.14Å; K204-F303 HydrophobicContact CG-CB 4.05Å; K204-F303 HydrophobicContact CG-CD1 3.59Å; K204-F303 HydrophobicContact CG-CE1 4.45Å; K204-F303 HydrophobicContact CG-CG 4.18Å; K204-F303 PolarHBondContact NZ-O 3.13Å; F207-F303 HydrophobicContact CE2-CE1 4.1Å; F207-F303 HydrophobicContact CE2-CE2 4Å; F207-F303 AromaticContact CE2-CZ 3.73Å; F207-F303 HydrophobicContact CE2-CZ 3.73Å; F207-F303 HydrophobicContact CZ-CZ 4.22Å; I247-F303 HydrophobicContact CD1-CB 3.58Å; I247-F303 HydrophobicContact CD1-CG 4.5Å; I247-F303 HydrophobicContact CG1-CB 4.27Å; I247-F303 HydrophobicContact CG2-CB 4.03Å; I247-F303 HydrophobicContact CG2-CD2 3.97Å; I247-F303 HydrophobicContact CG2-CG 4.3Å; F282-F303 AromaticContact CE1-CE1 3.75Å; F282-F303 HydrophobicContact CE1-CE1 3.75Å; F282-F303 HydrophobicContact CE1-CE2 4.45Å; F282-F303 AromaticContact CE1-CZ 3.64Å; F282-F303 HydrophobicContact CE1-CZ 3.64Å; F282-F303 HydrophobicContact CZ-CD1 4.29Å; F282-F303 AromaticContact CZ-CE1 3.76Å; F282-F303 HydrophobicContact CZ-CE1 3.76Å; F282-F303 HydrophobicContact CZ-CZ 4.1Å; F283-F303 HydrophobicContact CE1-CE2 4.14Å; F283-F303 AromaticContact CE1-CZ 3.89Å; F283-F303 HydrophobicContact CE1-CZ 3.89Å; F283-F303 HydrophobicContact CZ-CZ 4.36Å; W299-F303 HydrophobicContact CD2-CD2 4.05Å; W299-F303 AromaticContact CD2-CE2 3.7Å; W299-F303 HydrophobicContact CD2-CE2 3.7Å; W299-F303 AromaticContact CE2-CD2 3.87Å; W299-F303 AromaticContact CE2-CE2 3.53Å; W299-F303 AromaticContact CE3-CE2 3.82Å; W299-F303 HydrophobicContact CE3-CE2 3.82Å; W299-F303 HydrophobicContact CG-CD2 4.39Å; W299-F303 HydrophobicContact CG-CE2 4.48Å; W299-F303 AromaticContact CH2-CE2 3.64Å; W299-F303 HydrophobicContact CH2-CE2 3.64Å; W299-F303 HydrophobicContact CH2-CZ 4.11Å; W299-F303 HydrophobicContact CZ2-CD2 4.21Å; W299-F303 AromaticContact CZ2-CE2 3.5Å; W299-F303 HydrophobicContact CZ2-CE2 3.5Å; W299-F303 HydrophobicContact CZ2-CZ 4.22Å; W299-F303 AromaticContact CZ3-CE2 3.81Å; W299-F303 HydrophobicContact CZ3-CE2 3.81Å; W299-F303 HydrophobicContact CZ3-CZ 4.43Å; W299-F303 VanDerWaalsContact O-CD2 3.25Å; W299-F303 WeakPolarHBondContact O-CD2 3.32Å; W299-F303 PolarHBondContact O-N 2.96Å; C300-F303 CarbonylContact O-C 3.57Å; C300-F303 PolarHBondContact O-N 2.7Å; L301-F303 VanDerWaalsContact C-N 3.29Å; L301-F303 PolarHBondContact O-N 3.31Å |
| 304 | W | 70.6 | Confident | 80.7 | Confident | 100 Ų | 100 | 44.2 Ų | 44.2 | 38% | 0.379 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -92.2 | -10.2 | 171.6 | -125 | -71.5 | 0 | 0 | 0 | 114.6 | S242 C243 K244 C300 L301 E306 | S242-W304 WeakPolarHBondContact O-CH2 3.41Å; S242-W304 WeakPolarHBondContact O-CZ2 3.48Å; S242-W304 WeakPolarHBondContact O-CZ3 3.13Å; C243-W304 HydrophobicContact CB-CZ3 4.18Å; K244-W304 HydrophobicContact CB-CH2 3.79Å; K244-W304 HydrophobicContact CB-CZ3 3.96Å; C300-W304 HydrophobicContact CB-CE3 4.17Å; C300-W304 HydrophobicContact CB-CZ3 4.38Å; C300-W304 VanDerWaalsContact O-CB 3.3Å; C300-W304 WeakPolarHBondContact O-CB 3.37Å; C300-W304 PolarHBondContact O-N 3.15Å; L301-W304 CarbonylContact O-C 3.56Å; L301-W304 PolarHBondContact O-N 2.98Å; L301-W304 VanDerWaalsContact O-N 3.08Å; W304-E306 PolarHBondContact O-N 2.99Å |
| 305 | R | 65.1 | Low | 80.3 | Confident | 173 Ų | 173 | 48.1 Ų | 48.1 | 65% | 0.653 | 24% | 0.241 | S | C | * | . | trans | -49.8 | 101 | 169.8 | -74.5 | -176.3 | -177.2 | -104.6 | 2.2 | 106.7 | K204 L301 K307 | K204-R305 PolarHBondContact NZ-O 3.42Å; L301-R305 PolarHBondContact O-N 2.96Å; R305-K307 PolarHBondContact O-N 3.22Å | ||
| 306 | E | 63.6 | Low | 79.9 | Confident | 167 Ų | 167 | 53.6 Ų | 53.6 | 78% | 0.78 | 26% | 0.26 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 136.8 | 175.9 | -71.9 | -169.3 | 156 | 0 | 0 | 105 | W304 P308 | W304-E306 PolarHBondContact O-N 2.99Å; E306-P308 VanDerWaalsContact O-N 3.08Å |
| 307 | K | 66.9 | Low | 79.7 | Confident | 48 Ų | 48 | 52.8 Ų | 52.8 | 21% | 0.209 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -49.1 | 125.1 | 177.7 | -171.4 | 172.4 | -163.3 | 134.8 | 0 | 107.1 | E201 R305 L311 A312 E315 | E201-K307 WeakPolarHBondContact OE1-CD 3.24Å; E201-K307 WeakPolarHBondContact OE1-CE 3.3Å; E201-K307 WeakPolarHBondContact OE1-CG 3.33Å; E201-K307 IonicContact OE1-NZ 2.86Å; E201-K307 PolarHBondContact OE1-NZ 3.37Å; E201-K307 IonicContact OE2-NZ 3.25Å; E201-K307 PolarHBondContact OE2-NZ 3.28Å; R305-K307 PolarHBondContact O-N 3.22Å; K307-L311 HydrophobicContact CD-CB 4.33Å; K307-L311 HydrophobicContact CG-CB 3.89Å; K307-A312 HydrophobicContact CB-CB 4.21Å; K307-A312 HydrophobicContact CD-CB 4.41Å; K307-A312 HydrophobicContact CG-CB 4.26Å; K307-E315 VanDerWaalsContact CD-OE2 3.23Å; K307-E315 WeakPolarHBondContact CD-OE2 3.08Å; K307-E315 WeakPolarHBondContact CE-OE2 3.31Å; K307-E315 IonicContact NZ-OE1 2.85Å; K307-E315 IonicContact NZ-OE2 3.44Å; K307-E315 PolarHBondContact NZ-OE2 3.12Å |
| 308 | P | 75.6 | Confident | 79.4 | Confident | 18 Ų | 18 | 57.3 Ų | 57.3 | 12% | 0.117 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 146.4 | -172.2 | 25.9 | -35.7 | 0 | 0 | 0 | 108.9 | E306 C310 L311 A312 G338 Y339 | E306-P308 VanDerWaalsContact O-N 3.08Å; P308-C310 PolarHBondContact O-N 2.8Å; P308-L311 HydrophobicContact CG-CB 4.24Å; P308-L311 HydrophobicContact CG-CD1 3.8Å; P308-L311 HydrophobicContact CG-CG 4.16Å; P308-L311 PolarHBondContact O-N 3.48Å; P308-A312 PolarHBondContact O-N 3.49Å; P308-G338 VanDerWaalsContact CB-O 3.29Å; P308-G338 WeakPolarHBondContact CB-O 3.08Å; P308-G338 WeakPolarHBondContact CG-O 3.35Å; P308-Y339 HydrophobicContact CB-CD1 4.26Å; P308-Y339 HydrophobicContact CB-CD2 4.3Å; P308-Y339 HydrophobicContact CB-CE1 4.28Å; P308-Y339 HydrophobicContact CB-CE2 4.3Å; P308-Y339 HydrophobicContact CB-CG 4.29Å |
| 309 | P | 82 | Confident | 78.8 | Confident | 38 Ų | 38 | 62.3 Ų | 62.3 | 25% | 0.247 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.6 | -26.3 | -155.3 | 24.4 | -36.3 | 0 | 0 | 0 | 113.4 | E313 Y339 Y340 | P309-E313 PolarHBondContact O-N 3.13Å; P309-E313 VanDerWaalsContact O-N 3.16Å; P309-Y339 HydrophobicContact CG-CD1 3.91Å; P309-Y339 HydrophobicContact CG-CE1 4.37Å; P309-Y340 HydrophobicContact CB-CE2 3.99Å; P309-Y340 HydrophobicContact CG-CD2 4.35Å; P309-Y340 HydrophobicContact CG-CE2 4.26Å; P309-Y340 PolarHBondContact O-OH 3.12Å |
| 310 | C | 86.2 | Confident | 77.9 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -75.4 | -44 | 176.1 | -170.7 | 0 | 0 | 0 | 0 | 112.3 | P308 A312 E313 L314 C334 G338 Y339 Y340 | P308-C310 PolarHBondContact O-N 2.8Å; C310-A312 VanDerWaalsContact C-N 3.32Å; C310-E313 PolarHBondContact O-N 2.93Å; C310-L314 WeakPolarHBondContact O-CG 3.46Å; C310-L314 PolarHBondContact O-N 3.49Å; C310-C334 HydrophobicContact CB-CB 3.81Å; C310-C334 WeakPolarHBondContact CB-SG 3.36Å; C310-C334 WeakPolarHBondContact SG-CA 3.37Å; C310-C334 WeakPolarHBondContact SG-CB 3.38Å; C310-C334 CovalentContact SG-SG 2.03Å; C310-C334 PolarHBondContact SG-SG 3.4Å; C310-G338 VanDerWaalsContact CB-O 3.3Å; C310-G338 WeakPolarHBondContact CB-O 3.09Å; C310-G338 PolarHBondContact N-O 3.43Å; C310-Y339 VanDerWaalsContact CB-C 3.42Å; C310-Y340 VanDerWaalsContact CA-CE2 3.46Å; C310-Y340 HydrophobicContact CB-CD1 3.95Å; C310-Y340 HydrophobicContact CB-CD2 3.56Å; C310-Y340 HydrophobicContact CB-CE1 4.09Å; C310-Y340 HydrophobicContact CB-CE2 3.69Å; C310-Y340 HydrophobicContact CB-CG 3.68Å |
| 311 | L | 82.9 | Confident | 77.1 | Confident | 25 Ų | 25 | 67.3 Ų | 67.3 | 13% | 0.131 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.1 | -36.3 | 174.6 | -67.4 | -178.2 | 0 | 0 | 0 | 112.1 | Q194 K307 P308 L314 E315 C334 G338 | Q194-L311 VanDerWaalsContact OE1-CD1 3.3Å; K307-L311 HydrophobicContact CD-CB 4.33Å; K307-L311 HydrophobicContact CG-CB 3.89Å; P308-L311 HydrophobicContact CG-CB 4.24Å; P308-L311 HydrophobicContact CG-CD1 3.8Å; P308-L311 HydrophobicContact CG-CG 4.16Å; P308-L311 PolarHBondContact O-N 3.48Å; L311-L314 HydrophobicContact CD2-CD1 4.32Å; L311-L314 PolarHBondContact O-N 3.29Å; L311-E315 PolarHBondContact O-N 3.05Å; L311-C334 HydrophobicContact CD2-CB 4.35Å; L311-G338 VanDerWaalsContact CG-CA 3.5Å; L311-G338 PolarHBondContact N-O 2.99Å |
| 312 | A | 82.8 | Confident | 75.9 | Confident | 38 Ų | 38 | 65.1 Ų | 65.1 | 31% | 0.314 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.9 | -45.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | K307 P308 C310 E315 R316 | K307-A312 HydrophobicContact CB-CB 4.21Å; K307-A312 HydrophobicContact CD-CB 4.41Å; K307-A312 HydrophobicContact CG-CB 4.26Å; P308-A312 PolarHBondContact O-N 3.49Å; C310-A312 VanDerWaalsContact C-N 3.32Å; A312-E315 PolarHBondContact O-N 3.49Å; A312-R316 WeakPolarHBondContact O-CB 3.09Å; A312-R316 PolarHBondContact O-N 2.72Å |
| 313 | E | 83.9 | Confident | 74.6 | Confident | 54 Ų | 54 | 68 Ų | 68 | 25% | 0.252 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68.5 | -37.7 | 177 | -173.8 | 57.6 | -161.6 | 0 | 0 | 112.1 | P309 C310 E315 R316 I317 P332 Y340 | P309-E313 PolarHBondContact O-N 3.13Å; P309-E313 VanDerWaalsContact O-N 3.16Å; C310-E313 PolarHBondContact O-N 2.93Å; E313-E315 PolarHBondContact O-N 3.47Å; E313-R316 WeakPolarHBondContact O-CB 3.06Å; E313-R316 PolarHBondContact O-N 3.41Å; E313-R316 IonicContact OE1-CZ 3.68Å; E313-R316 IonicContact OE1-NE 3Å; E313-R316 PolarHBondContact OE1-NE 2.79Å; E313-R316 IonicContact OE1-NH2 3.46Å; E313-R316 PolarHBondContact OE1-NH2 2.04Å; E313-R316 IonicContact OE2-CZ 3.66Å; E313-R316 IonicContact OE2-NE 2.69Å; E313-R316 PolarHBondContact OE2-NE 3.29Å; E313-R316 IonicContact OE2-NH2 3.85Å; E313-I317 HydrophobicContact CG-CD1 4.04Å; E313-I317 VanDerWaalsContact O-CG1 3.23Å; E313-I317 WeakPolarHBondContact O-CG1 2.83Å; E313-I317 PolarHBondContact O-N 3.37Å; E313-P332 HydrophobicContact CG-CG 4.41Å; E313-Y340 WeakPolarHBondContact CB-OH 3.45Å |
| 314 | L | 82.9 | Confident | 73.4 | Confident | 37 Ų | 37 | 76 Ų | 76 | 19% | 0.194 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.4 | -45.7 | 174.3 | -81.3 | -179.9 | 0 | 0 | 0 | 112.5 | C310 L311 R316 I317 Q318 I331 P332 C334 | C310-L314 WeakPolarHBondContact O-CG 3.46Å; C310-L314 PolarHBondContact O-N 3.49Å; L311-L314 HydrophobicContact CD2-CD1 4.32Å; L311-L314 PolarHBondContact O-N 3.29Å; L314-R316 VanDerWaalsContact C-N 3.35Å; L314-I317 PolarHBondContact O-N 3.03Å; L314-Q318 VanDerWaalsContact O-CG 3.3Å; L314-Q318 WeakPolarHBondContact O-CG 3.39Å; L314-Q318 PolarHBondContact O-N 2.8Å; L314-I331 HydrophobicContact CD2-CG2 3.75Å; L314-P332 HydrophobicContact CD2-CG 4.03Å; L314-P332 HydrophobicContact CG-CG 4.21Å; L314-C334 WeakPolarHBondContact CD1-SG 3.44Å |
| 315 | E | 79.2 | Confident | 72.7 | Confident | 85 Ų | 85 | 79.2 Ų | 79.2 | 40% | 0.397 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 176.3 | -179 | 174.9 | -159.2 | 0 | 0 | 111.1 | K307 L311 A312 E313 I317 Q318 V319 | K307-E315 VanDerWaalsContact CD-OE2 3.23Å; K307-E315 WeakPolarHBondContact CD-OE2 3.08Å; K307-E315 WeakPolarHBondContact CE-OE2 3.31Å; K307-E315 IonicContact NZ-OE1 2.85Å; K307-E315 IonicContact NZ-OE2 3.44Å; K307-E315 PolarHBondContact NZ-OE2 3.12Å; L311-E315 PolarHBondContact O-N 3.05Å; A312-E315 PolarHBondContact O-N 3.49Å; E313-E315 PolarHBondContact O-N 3.47Å; E315-I317 VanDerWaalsContact C-N 3.29Å; E315-I317 PolarHBondContact O-N 3.28Å; E315-Q318 WeakPolarHBondContact O-CB 2.78Å; E315-Q318 PolarHBondContact O-N 2.9Å; E315-V319 HydrophobicContact CG-CG2 4.4Å; E315-V319 WeakPolarHBondContact O-CG2 3.48Å; E315-V319 PolarHBondContact O-N 2.79Å |
| 316 | R | 81.8 | Confident | 72.4 | Confident | 127 Ų | 127 | 77.2 Ų | 77.2 | 48% | 0.479 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -57.5 | -43.4 | 175.8 | -161.7 | -171.6 | 76.8 | 90.9 | 4.5 | 111.6 | A312 E313 L314 V319 L320 | A312-R316 WeakPolarHBondContact O-CB 3.09Å; A312-R316 PolarHBondContact O-N 2.72Å; E313-R316 WeakPolarHBondContact O-CB 3.06Å; E313-R316 PolarHBondContact O-N 3.41Å; E313-R316 IonicContact OE1-CZ 3.68Å; E313-R316 IonicContact OE1-NE 3Å; E313-R316 PolarHBondContact OE1-NE 2.79Å; E313-R316 IonicContact OE1-NH2 3.46Å; E313-R316 PolarHBondContact OE1-NH2 2.04Å; E313-R316 IonicContact OE2-CZ 3.66Å; E313-R316 IonicContact OE2-NE 2.69Å; E313-R316 PolarHBondContact OE2-NE 3.29Å; E313-R316 IonicContact OE2-NH2 3.85Å; L314-R316 VanDerWaalsContact C-N 3.35Å; R316-V319 PolarHBondContact O-N 2.91Å; R316-L320 HydrophobicContact CG-CD1 4.18Å; R316-L320 WeakPolarHBondContact O-CB 3.33Å; R316-L320 VanDerWaalsContact O-CG 3.22Å; R316-L320 WeakPolarHBondContact O-CG 3.16Å; R316-L320 PolarHBondContact O-N 3.01Å |
| 317 | I | 80.6 | Confident | 72.1 | Confident | 12 Ų | 12 | 79.2 Ų | 79.2 | 6% | 0.062 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 175.9 | -68.4 | 165.4 | 0 | 0 | 0 | 110.7 | E313 L314 E315 L320 D321 P332 | E313-I317 HydrophobicContact CG-CD1 4.04Å; E313-I317 VanDerWaalsContact O-CG1 3.23Å; E313-I317 WeakPolarHBondContact O-CG1 2.83Å; E313-I317 PolarHBondContact O-N 3.37Å; L314-I317 PolarHBondContact O-N 3.03Å; E315-I317 VanDerWaalsContact C-N 3.29Å; E315-I317 PolarHBondContact O-N 3.28Å; I317-L320 PolarHBondContact O-N 2.04Å; I317-D321 WeakPolarHBondContact O-CB 3.13Å; I317-D321 PolarHBondContact O-N 3.46Å; I317-P332 HydrophobicContact CD1-CG 4.39Å |
| 318 | Q | 77.4 | Confident | 72 | Confident | 136 Ų | 136 | 79.1 Ų | 79.1 | 64% | 0.636 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -64.4 | -43.5 | 178.5 | -70.8 | 174.5 | 30.5 | 0 | 0 | 112.8 | L314 E315 D321 G322 | L314-Q318 VanDerWaalsContact O-CG 3.3Å; L314-Q318 WeakPolarHBondContact O-CG 3.39Å; L314-Q318 PolarHBondContact O-N 2.8Å; E315-Q318 WeakPolarHBondContact O-CB 2.78Å; E315-Q318 PolarHBondContact O-N 2.9Å; Q318-D321 PolarHBondContact O-N 2.94Å; Q318-G322 PolarHBondContact O-N 2.85Å |
| 319 | V | 73.7 | Confident | 71.9 | Confident | 111 Ų | 111 | 82.8 Ų | 82.8 | 67% | 0.673 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -64.8 | -43.4 | 177.5 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | E315 R316 D321 G322 | E315-V319 HydrophobicContact CG-CG2 4.4Å; E315-V319 WeakPolarHBondContact O-CG2 3.48Å; E315-V319 PolarHBondContact O-N 2.79Å; R316-V319 PolarHBondContact O-N 2.91Å; V319-D321 VanDerWaalsContact C-N 3.33Å; V319-D321 PolarHBondContact O-N 2.97Å; V319-G322 PolarHBondContact O-N 2.66Å |
| 320 | L | 68.7 | Low | 72 | Confident | 90 Ų | 90 | 83.8 Ų | 83.8 | 47% | 0.471 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -68.1 | -31 | 178.9 | -73.7 | 171.2 | 0 | 0 | 0 | 113.5 | R316 I317 | R316-L320 HydrophobicContact CG-CD1 4.18Å; R316-L320 WeakPolarHBondContact O-CB 3.33Å; R316-L320 VanDerWaalsContact O-CG 3.22Å; R316-L320 WeakPolarHBondContact O-CG 3.16Å; R316-L320 PolarHBondContact O-N 3.01Å; I317-L320 PolarHBondContact O-N 2.04Å |
| 321 | D | 66.7 | Low | 72 | Confident | 24 Ų | 24 | 88.5 Ų | 88.5 | 13% | 0.128 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -88.6 | -8.4 | -177.3 | -81.4 | 5.4 | 0 | 0 | 0 | 113.3 | I317 Q318 V319 G323 K324 K326 R329 | I317-D321 WeakPolarHBondContact O-CB 3.13Å; I317-D321 PolarHBondContact O-N 3.46Å; Q318-D321 PolarHBondContact O-N 2.94Å; V319-D321 VanDerWaalsContact C-N 3.33Å; V319-D321 PolarHBondContact O-N 2.97Å; D321-G323 PolarHBondContact O-N 2.79Å; D321-K324 PolarHBondContact O-N 2.88Å; D321-K326 PolarHBondContact OD2-N 2.99Å; D321-R329 IonicContact OD1-CZ 3.85Å; D321-R329 IonicContact OD1-NH1 2.91Å; D321-R329 PolarHBondContact OD1-NH1 3.16Å |
| 322 | G | 57.1 | Low | 72.3 | Confident | 68 Ų | 68 | 87.7 Ų | 87.7 | 70% | 0.701 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 31.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q318 V319 | Q318-G322 PolarHBondContact O-N 2.85Å; V319-G322 PolarHBondContact O-N 2.66Å |
| 323 | G | 57.4 | Low | 72.6 | Confident | 73 Ų | 73 | 88.4 Ų | 88.4 | 75% | 0.753 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | 7.1 | -177 | 0 | 0 | 0 | 0 | 0 | 116.5 | D321 | D321-G323 PolarHBondContact O-N 2.79Š|
| 324 | K | 57 | Low | 72.8 | Confident | 171 Ų | 171 | 86.8 Ų | 86.8 | 74% | 0.743 | 46% | 0.458 | S | S | * | . | trans | -114.7 | 103.2 | 171.1 | -65.4 | -176.6 | -177.8 | -179.7 | 0 | 109.4 | D321 K326 | D321-K324 PolarHBondContact O-N 2.88Å; K324-K326 PolarHBondContact O-N 2.83Å | ||
| 325 | K | 56.1 | Low | 73 | Confident | 169 Ų | 169 | 87.5 Ų | 87.5 | 74% | 0.735 | 46% | 0.462 | S | S | * | . | trans | -50.3 | 106.1 | 171.3 | -90.7 | -177.9 | 174.9 | 177.9 | 0 | 109.1 | F327 | K325-F327 PolarHBondContact O-N 2.93Å; K325-F327 VanDerWaalsContact O-N 3.12Å | ||
| 326 | K | 58.4 | Low | 73 | Confident | 131 Ų | 131 | 91.6 Ų | 91.6 | 57% | 0.57 | 48% | 0.481 | S | S | * | . | trans | -74.5 | 105.6 | 172.5 | -73.9 | -167.7 | 177.6 | -178.3 | 0 | 108.3 | D321 K324 G328 R329 | D321-K326 PolarHBondContact OD2-N 2.99Å; K324-K326 PolarHBondContact O-N 2.83Å; K326-G328 PolarHBondContact O-N 2.95Å; K326-R329 PolarHBondContact O-N 3.36Å | ||
| 327 | F | 56 | Low | 72.6 | Confident | 208 Ų | 208 | 91 Ų | 91 | 91% | 0.912 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 105.9 | 168.1 | -68.3 | -83.4 | 0 | 0 | 0 | 108.4 | K325 | K325-F327 PolarHBondContact O-N 2.93Å; K325-F327 VanDerWaalsContact O-N 3.12Å |
| 328 | G | 65.4 | Low | 72.3 | Confident | 46 Ų | 46 | 90.4 Ų | 90.4 | 47% | 0.474 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 155 | -49.4 | -166.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | K326 R347 | K326-G328 PolarHBondContact O-N 2.95Å; G328-R347 VanDerWaalsContact N-NH2 3.19Å; G328-R347 PolarHBondContact O-NH2 2.98Å |
| 329 | R | 74.3 | Confident | 72.8 | Confident | 96 Ų | 96 | 88.1 Ų | 88.1 | 36% | 0.362 | 47% | 0.47 | S | S | . | . | trans | -92.2 | 138.1 | -167.6 | -170.4 | 178.4 | -76.9 | 161.5 | -2.6 | 111.9 | D321 K326 | D321-R329 IonicContact OD1-CZ 3.85Å; D321-R329 IonicContact OD1-NH1 2.91Å; D321-R329 PolarHBondContact OD1-NH1 3.16Å; K326-R329 PolarHBondContact O-N 3.36Å | ||
| 330 | F | 82.9 | Confident | 73.4 | Confident | 59 Ų | 59 | 84.1 Ų | 84.1 | 26% | 0.259 | 44% | 0.443 | S | S | . | . | trans | -65.1 | 132.3 | 172.3 | 171.8 | -117.8 | 0 | 0 | 0 | 110.5 | P332 Q344 D346 W351 | F330-P332 HydrophobicContact CE1-CB 4.09Å; F330-P332 HydrophobicContact CZ-CB 4.37Å; F330-Q344 HydrophobicContact CZ-CB 3.93Å; F330-Q344 HydrophobicContact CZ-CG 4.29Å; F330-D346 HydrophobicContact CD2-CB 3.49Å; F330-D346 VanDerWaalsContact CD2-CB 3.49Å; F330-D346 HydrophobicContact CE2-CB 3.95Å; F330-D346 HydrophobicContact CG-CB 4.41Å; F330-W351 HydrophobicContact CD1-CZ2 4.47Å; F330-W351 HydrophobicContact CD2-CH2 4.09Å; F330-W351 HydrophobicContact CD2-CZ2 4.4Å; F330-W351 AromaticContact CE1-CZ2 3.95Å; F330-W351 HydrophobicContact CE1-CZ2 3.95Å; F330-W351 AromaticContact CE2-CH2 3.78Å; F330-W351 HydrophobicContact CE2-CH2 3.78Å; F330-W351 AromaticContact CE2-CZ2 3.83Å; F330-W351 HydrophobicContact CE2-CZ2 3.83Å; F330-W351 HydrophobicContact CZ-CH2 4.05Å; F330-W351 AromaticContact CZ-CZ2 3.6Å; F330-W351 HydrophobicContact CZ-CZ2 3.6Å | ||
| 331 | I | 86.7 | Confident | 74.4 | Confident | 99 Ų | 99 | 85.8 Ų | 85.8 | 51% | 0.508 | 44% | 0.443 | S | S | . | . | trans | -110.3 | 115.2 | 175.7 | -60.3 | 174.3 | 0 | 0 | 0 | 107.1 | L314 | L314-I331 HydrophobicContact CD2-CG2 3.75Š| ||
| 332 | P | 89.5 | Confident | 75.5 | Confident | 8 Ų | 8 | 89.7 Ų | 89.7 | 5% | 0.052 | 46% | 0.459 | C | S | . | . | trans | -71.6 | 152.8 | -179.1 | 30 | -34.9 | 0 | 0 | 0 | 111.9 | E313 L314 I317 F330 Y340 | E313-P332 HydrophobicContact CG-CG 4.41Å; L314-P332 HydrophobicContact CD2-CG 4.03Å; L314-P332 HydrophobicContact CG-CG 4.21Å; I317-P332 HydrophobicContact CD1-CG 4.39Å; F330-P332 HydrophobicContact CE1-CB 4.09Å; F330-P332 HydrophobicContact CZ-CB 4.37Å; P332-Y340 HydrophobicContact CB-CD1 3.97Å; P332-Y340 HydrophobicContact CB-CE1 3.51Å; P332-Y340 HydrophobicContact CG-CE1 4.16Å | ||
| 333 | S | 88.4 | Confident | 77.1 | Confident | 52 Ų | 52 | 89.3 Ų | 89.3 | 36% | 0.364 | 44% | 0.439 | S | S | . | . | trans | -101.9 | 125.8 | 175.8 | -158.9 | 0 | 0 | 0 | 0 | 110.6 | R341 Q344 | S333-R341 WeakPolarHBondContact O-CB 3.02Å; S333-R341 PolarHBondContact O-N 3.02Å; S333-R341 WeakPolarHBondContact OG-CD 3.41Å; S333-Q344 PolarHBondContact O-NE2 3.46Å | ||
| 334 | C | 89.4 | Confident | 78.8 | Confident | 21 Ų | 21 | 86 Ų | 86 | 14% | 0.142 | 40% | 0.404 | C | S | . | . | B | Isolated β-bridge | trans | -105.6 | 156.3 | -177.2 | -47.2 | 0 | 0 | 0 | 0 | 112.6 | C310 L311 L314 Y339 R341 | C310-C334 HydrophobicContact CB-CB 3.81Å; C310-C334 WeakPolarHBondContact CB-SG 3.36Å; C310-C334 WeakPolarHBondContact SG-CA 3.37Å; C310-C334 WeakPolarHBondContact SG-CB 3.38Å; C310-C334 CovalentContact SG-SG 2.03Å; C310-C334 PolarHBondContact SG-SG 3.4Å; L311-C334 HydrophobicContact CD2-CB 4.35Å; L314-C334 WeakPolarHBondContact CD1-SG 3.44Å; C334-Y339 CarbonylContact C-O 3.58Å; C334-Y339 VanDerWaalsContact CA-O 3.26Å; C334-Y339 WeakPolarHBondContact CA-O 3Å; C334-R341 PolarHBondContact O-NE 3.49Å |
| 335 | N | 86.3 | Confident | 80.4 | Confident | 52 Ų | 52 | 80.9 Ų | 80.9 | 28% | 0.278 | 39% | 0.389 | S | S | . | . | trans | -79.9 | 171.1 | 169 | -71.5 | -21.6 | 0 | 0 | 0 | 111 | D337 G338 Y339 Y340 R341 | N335-D337 PolarHBondContact O-N 3.3Å; N335-G338 PolarHBondContact O-N 2.87Å; N335-Y339 PolarHBondContact N-O 3.45Å; N335-Y340 PolarHBondContact ND2-O 2.9Å; N335-R341 WeakPolarHBondContact OD1-CA 3.29Å; N335-R341 WeakPolarHBondContact OD1-CG 3.22Å | ||
| 336 | E | 79.6 | Confident | 82 | Confident | 170 Ų | 170 | 75 Ų | 75 | 79% | 0.794 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -29.4 | 175.8 | -63.3 | -178.7 | -179.1 | 0 | 0 | 112.6 | G338 | E336-G338 PolarHBondContact O-N 3.34Š|
| 337 | D | 73 | Confident | 83.2 | Confident | 114 Ų | 114 | 77.7 Ų | 77.7 | 61% | 0.61 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | 2.4 | 175.3 | -53.1 | -54.3 | 0 | 0 | 0 | 113.3 | N335 Y339 | N335-D337 PolarHBondContact O-N 3.3Å; D337-Y339 VanDerWaalsContact C-N 3.34Å; D337-Y339 HydrophobicContact CB-CD2 3.95Å; D337-Y339 HydrophobicContact CB-CE2 4.42Å; D337-Y339 WeakPolarHBondContact O-CD2 3.06Å; D337-Y339 PolarHBondContact O-N 3.01Å |
| 338 | G | 74.8 | Confident | 84.6 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 36% | 0.357 | C | S | . | . | S | Bend | trans | 79.3 | 6.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | P308 C310 L311 N335 E336 | P308-G338 VanDerWaalsContact CB-O 3.29Å; P308-G338 WeakPolarHBondContact CB-O 3.08Å; P308-G338 WeakPolarHBondContact CG-O 3.35Å; C310-G338 VanDerWaalsContact CB-O 3.3Å; C310-G338 WeakPolarHBondContact CB-O 3.09Å; C310-G338 PolarHBondContact N-O 3.43Å; L311-G338 VanDerWaalsContact CG-CA 3.5Å; L311-G338 PolarHBondContact N-O 2.99Å; N335-G338 PolarHBondContact O-N 2.87Å; E336-G338 PolarHBondContact O-N 3.34Å |
| 339 | Y | 86.5 | Confident | 85.8 | Confident | 88 Ų | 88 | 71.2 Ų | 71.2 | 35% | 0.345 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -85.8 | 170.7 | 169.1 | -66 | -85.1 | 0 | 0 | 0 | 112.2 | P308 P309 C310 C334 N335 D337 Q355 | P308-Y339 HydrophobicContact CB-CD1 4.26Å; P308-Y339 HydrophobicContact CB-CD2 4.3Å; P308-Y339 HydrophobicContact CB-CE1 4.28Å; P308-Y339 HydrophobicContact CB-CE2 4.3Å; P308-Y339 HydrophobicContact CB-CG 4.29Å; P309-Y339 HydrophobicContact CG-CD1 3.91Å; P309-Y339 HydrophobicContact CG-CE1 4.37Å; C310-Y339 VanDerWaalsContact CB-C 3.42Å; C334-Y339 CarbonylContact C-O 3.58Å; C334-Y339 VanDerWaalsContact CA-O 3.26Å; C334-Y339 WeakPolarHBondContact CA-O 3Å; N335-Y339 PolarHBondContact N-O 3.45Å; D337-Y339 VanDerWaalsContact C-N 3.34Å; D337-Y339 HydrophobicContact CB-CD2 3.95Å; D337-Y339 HydrophobicContact CB-CE2 4.42Å; D337-Y339 WeakPolarHBondContact O-CD2 3.06Å; D337-Y339 PolarHBondContact O-N 3.01Å; Y339-Q355 HydrophobicContact CD1-CG 3.44Å; Y339-Q355 VanDerWaalsContact CD1-CG 3.44Å; Y339-Q355 HydrophobicContact CD2-CG 4.49Å; Y339-Q355 VanDerWaalsContact CD2-NE2 3.27Å; Y339-Q355 HydrophobicContact CE1-CG 4.04Å; Y339-Q355 HydrophobicContact CG-CG 3.69Å |
| 340 | Y | 87.3 | Confident | 86.6 | Confident | 27 Ų | 27 | 67.3 Ų | 67.3 | 11% | 0.106 | 34% | 0.335 | C | S | . | . | B | Isolated β-bridge | trans | -68.1 | 137 | 179.9 | -71.8 | -95.7 | 0 | 0 | 0 | 111.4 | P309 C310 E313 P332 N335 K342 Q355 N356 | P309-Y340 HydrophobicContact CB-CE2 3.99Å; P309-Y340 HydrophobicContact CG-CD2 4.35Å; P309-Y340 HydrophobicContact CG-CE2 4.26Å; P309-Y340 PolarHBondContact O-OH 3.12Å; C310-Y340 VanDerWaalsContact CA-CE2 3.46Å; C310-Y340 HydrophobicContact CB-CD1 3.95Å; C310-Y340 HydrophobicContact CB-CD2 3.56Å; C310-Y340 HydrophobicContact CB-CE1 4.09Å; C310-Y340 HydrophobicContact CB-CE2 3.69Å; C310-Y340 HydrophobicContact CB-CG 3.68Å; E313-Y340 WeakPolarHBondContact CB-OH 3.45Å; P332-Y340 HydrophobicContact CB-CD1 3.97Å; P332-Y340 HydrophobicContact CB-CE1 3.51Å; P332-Y340 HydrophobicContact CG-CE1 4.16Å; N335-Y340 PolarHBondContact ND2-O 2.9Å; Y340-K342 PolarHBondContact O-N 2.9Å; Y340-Q355 PolarHBondContact N-O 3.16Å; Y340-N356 VanDerWaalsContact CE2-C 3.49Å; Y340-N356 WeakPolarHBondContact CE2-O 2.79Å |
| 341 | R | 90.1 | Very high | 87.1 | Confident | 125 Ų | 125 | 65.3 Ų | 65.3 | 47% | 0.472 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 135.6 | 164.4 | -86.4 | 177.8 | -164.7 | -128.2 | -4 | 108.7 | S333 C334 N335 Q343 Q344 V353 | S333-R341 WeakPolarHBondContact O-CB 3.02Å; S333-R341 PolarHBondContact O-N 3.02Å; S333-R341 WeakPolarHBondContact OG-CD 3.41Å; C334-R341 PolarHBondContact O-NE 3.49Å; N335-R341 WeakPolarHBondContact OD1-CA 3.29Å; N335-R341 WeakPolarHBondContact OD1-CG 3.22Å; R341-Q343 PolarHBondContact O-N 3.42Å; R341-Q344 PolarHBondContact O-NE2 3.36Å; R341-V353 WeakPolarHBondContact O-CG2 3.34Å |
| 342 | K | 90.2 | Very high | 87.4 | Confident | 106 Ų | 106 | 61.2 Ų | 61.2 | 46% | 0.461 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -50.6 | -33.6 | 177 | -65.3 | -171 | -174.9 | 177.9 | 0 | 112.9 | Y340 C352 V353 C371 D372 | Y340-K342 PolarHBondContact O-N 2.9Å; K342-C352 CarbonylContact O-C 3.44Å; K342-C352 WeakPolarHBondContact O-CA 3.37Å; K342-V353 PolarHBondContact O-N 3.07Å; K342-C371 HydrophobicContact CB-CB 3.92Å; K342-C371 WeakPolarHBondContact CD-O 3.28Å; K342-D372 IonicContact NZ-OD1 2.85Å; K342-D372 PolarHBondContact NZ-OD1 3.46Å |
| 343 | Q | 90.9 | Very high | 87.5 | Confident | 60 Ų | 60 | 61.3 Ų | 61.3 | 28% | 0.28 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 124.9 | 175.6 | -175.9 | -175.1 | -3.8 | 0 | 0 | 110.5 | R341 C345 P369 | R341-Q343 PolarHBondContact O-N 3.42Å; Q343-C345 PolarHBondContact NE2-SG 2.59Å; Q343-P369 HydrophobicContact CG-CG 4.07Å |
| 344 | Q | 91.9 | Very high | 87.5 | Confident | 3 Ų | 3 | 62.4 Ų | 62.4 | 1% | 0.014 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 145.9 | 171.8 | -65.1 | -58.7 | -38.5 | 0 | 0 | 110 | F330 S333 R341 C350 W351 V353 | F330-Q344 HydrophobicContact CZ-CB 3.93Å; F330-Q344 HydrophobicContact CZ-CG 4.29Å; S333-Q344 PolarHBondContact O-NE2 3.46Å; R341-Q344 PolarHBondContact O-NE2 3.36Å; Q344-C350 CarbonylContact O-C 3.5Å; Q344-C350 WeakPolarHBondContact O-CA 3.35Å; Q344-C350 WeakPolarHBondContact O-CB 3.43Å; Q344-W351 HydrophobicContact CB-CD2 4.3Å; Q344-W351 HydrophobicContact CB-CZ2 4.08Å; Q344-W351 PolarHBondContact N-O 2.99Å; Q344-W351 PolarHBondContact O-N 2.89Å; Q344-V353 HydrophobicContact CB-CG1 4.19Å; Q344-V353 HydrophobicContact CG-CB 4.24Å; Q344-V353 HydrophobicContact CG-CG1 3.58Å; Q344-V353 HydrophobicContact CG-CG2 3.54Å |
| 345 | C | 90.1 | Very high | 87.3 | Confident | 64 Ų | 64 | 65.6 Ų | 65.6 | 43% | 0.432 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 128.7 | -179.7 | -65.4 | 0 | 0 | 0 | 0 | 110.9 | Q343 E349 C350 | Q343-C345 PolarHBondContact NE2-SG 2.59Å; C345-E349 CarbonylContact C-O 3.5Å; C345-E349 WeakPolarHBondContact CA-O 3.23Å; C345-C350 HydrophobicContact CB-CB 4.09Å; C345-C350 WeakPolarHBondContact CB-SG 3.22Å; C345-C350 WeakPolarHBondContact SG-CB 3.33Å; C345-C350 CovalentContact SG-SG 2.04Å; C345-C350 PolarHBondContact SG-SG 2.78Å |
| 346 | D | 89.8 | Confident | 87.2 | Confident | 46 Ų | 46 | 68.5 Ų | 68.5 | 25% | 0.246 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 130.2 | 171.4 | -167.6 | 36.5 | 0 | 0 | 0 | 110.8 | F330 G348 E349 W351 | F330-D346 HydrophobicContact CD2-CB 3.49Å; F330-D346 VanDerWaalsContact CD2-CB 3.49Å; F330-D346 HydrophobicContact CE2-CB 3.95Å; F330-D346 HydrophobicContact CG-CB 4.41Å; D346-G348 PolarHBondContact O-N 2.89Å; D346-E349 PolarHBondContact N-O 3.01Å; D346-E349 PolarHBondContact O-N 2.81Å; D346-E349 VanDerWaalsContact O-O 3.07Å; D346-W351 HydrophobicContact CB-CH2 3.53Å; D346-W351 HydrophobicContact CB-CZ3 3.75Å |
| 347 | R | 84.9 | Confident | 87.4 | Confident | 188 Ų | 188 | 61.8 Ų | 61.8 | 71% | 0.709 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.3 | 31.2 | 170.5 | -62.4 | 170.4 | -173.8 | -88.1 | -0.1 | 115.8 | G328 | G328-R347 VanDerWaalsContact N-NH2 3.19Å; G328-R347 PolarHBondContact O-NH2 2.98Å |
| 348 | G | 83.8 | Confident | 88.2 | Confident | 57 Ų | 57 | 57.9 Ų | 57.9 | 59% | 0.588 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.7 | 1 | 178 | 0 | 0 | 0 | 0 | 0 | 115.6 | D346 | D346-G348 PolarHBondContact O-N 2.89Š|
| 349 | E | 90.7 | Very high | 89 | Confident | 61 Ų | 61 | 61.7 Ų | 61.7 | 29% | 0.285 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 132.8 | 168.9 | -71 | 172.8 | 179.1 | 0 | 0 | 108.8 | C345 D346 W351 R364 I365 R366 | C345-E349 CarbonylContact C-O 3.5Å; C345-E349 WeakPolarHBondContact CA-O 3.23Å; D346-E349 PolarHBondContact N-O 3.01Å; D346-E349 PolarHBondContact O-N 2.81Å; D346-E349 VanDerWaalsContact O-O 3.07Å; E349-W351 WeakPolarHBondContact O-CZ3 3.47Å; E349-R364 HydrophobicContact CB-CG 4.33Å; E349-R364 IonicContact OE2-NH1 3.79Å; E349-I365 WeakPolarHBondContact CA-O 3.4Å; E349-R366 HydrophobicContact CG-CG 3.65Å; E349-R366 IonicContact OE1-CZ 3.71Å; E349-R366 IonicContact OE1-NE 3.17Å; E349-R366 PolarHBondContact OE1-NE 2.67Å; E349-R366 VanDerWaalsContact OE1-NE 3.12Å; E349-R366 IonicContact OE1-NH2 2.77Å; E349-R366 PolarHBondContact OE1-NH2 3.15Å; E349-R366 VanDerWaalsContact OE1-NH2 3.1Å |
| 350 | C | 92.9 | Very high | 89.1 | Confident | 13 Ų | 13 | 61.1 Ų | 61.1 | 9% | 0.088 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 146.6 | 176.9 | -58.9 | 0 | 0 | 0 | 0 | 110 | Q344 C345 R364 I365 G367 P369 | Q344-C350 CarbonylContact O-C 3.5Å; Q344-C350 WeakPolarHBondContact O-CA 3.35Å; Q344-C350 WeakPolarHBondContact O-CB 3.43Å; C345-C350 HydrophobicContact CB-CB 4.09Å; C345-C350 WeakPolarHBondContact CB-SG 3.22Å; C345-C350 WeakPolarHBondContact SG-CB 3.33Å; C345-C350 CovalentContact SG-SG 2.04Å; C345-C350 PolarHBondContact SG-SG 2.78Å; C350-R364 CarbonylContact O-C 3.44Å; C350-R364 WeakPolarHBondContact O-CA 3.37Å; C350-I365 PolarHBondContact N-O 3.09Å; C350-I365 PolarHBondContact O-N 2.84Å; C350-G367 VanDerWaalsContact CB-O 3.22Å; C350-G367 WeakPolarHBondContact CB-O 3.48Å; C350-G367 PolarHBondContact SG-O 2.94Å; C350-P369 VanDerWaalsContact CB-CD 3.41Å; C350-P369 HydrophobicContact CB-CG 3.97Å |
| 351 | W | 92.6 | Very high | 89 | Confident | 17 Ų | 17 | 64.6 Ų | 64.6 | 6% | 0.064 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 164.5 | 179.7 | 58.5 | 94.1 | 0 | 0 | 0 | 110.3 | F330 Q344 D346 E349 V353 E359 R364 | F330-W351 HydrophobicContact CD1-CZ2 4.47Å; F330-W351 HydrophobicContact CD2-CH2 4.09Å; F330-W351 HydrophobicContact CD2-CZ2 4.4Å; F330-W351 AromaticContact CE1-CZ2 3.95Å; F330-W351 HydrophobicContact CE1-CZ2 3.95Å; F330-W351 AromaticContact CE2-CH2 3.78Å; F330-W351 HydrophobicContact CE2-CH2 3.78Å; F330-W351 AromaticContact CE2-CZ2 3.83Å; F330-W351 HydrophobicContact CE2-CZ2 3.83Å; F330-W351 HydrophobicContact CZ-CH2 4.05Å; F330-W351 AromaticContact CZ-CZ2 3.6Å; F330-W351 HydrophobicContact CZ-CZ2 3.6Å; Q344-W351 HydrophobicContact CB-CD2 4.3Å; Q344-W351 HydrophobicContact CB-CZ2 4.08Å; Q344-W351 PolarHBondContact N-O 2.99Å; Q344-W351 PolarHBondContact O-N 2.89Å; D346-W351 HydrophobicContact CB-CH2 3.53Å; D346-W351 HydrophobicContact CB-CZ3 3.75Å; E349-W351 WeakPolarHBondContact O-CZ3 3.47Å; W351-V353 VanDerWaalsContact CD1-CG1 3.4Å; W351-E359 HydrophobicContact CB-CG 4.2Å; W351-E359 HydrophobicContact CG-CG 4.02Å; W351-R364 HydrophobicContact CB-CB 4Å; W351-R364 HydrophobicContact CB-CG 4.41Å; W351-R364 HydrophobicContact CE3-CG 4.31Å |
| 352 | C | 92.4 | Very high | 88.8 | Confident | 14 Ų | 14 | 62.4 Ų | 62.4 | 10% | 0.095 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 141.4 | 173.6 | -57.6 | 0 | 0 | 0 | 0 | 110.1 | K342 V360 S363 C371 | K342-C352 CarbonylContact O-C 3.44Å; K342-C352 WeakPolarHBondContact O-CA 3.37Å; C352-V360 HydrophobicContact CB-CB 4.24Å; C352-V360 HydrophobicContact CB-CG2 4.11Å; C352-V360 PolarHBondContact O-N 3.12Å; C352-S363 PolarHBondContact N-OG 2.96Å; C352-S363 PolarHBondContact O-OG 3.4Å; C352-C371 VanDerWaalsContact CA-SG 3.52Å; C352-C371 HydrophobicContact CB-CB 3.87Å; C352-C371 WeakPolarHBondContact CB-SG 3.5Å; C352-C371 WeakPolarHBondContact SG-CA 3.5Å; C352-C371 WeakPolarHBondContact SG-CB 3.34Å; C352-C371 CovalentContact SG-SG 2.04Å; C352-C371 PolarHBondContact SG-SG 3.32Å |
| 353 | V | 91.8 | Very high | 88.7 | Confident | 9 Ų | 9 | 58.3 Ų | 58.3 | 6% | 0.055 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -127.5 | 154 | 175 | -59.5 | 0 | 0 | 0 | 0 | 111.2 | R341 K342 Q344 W351 G358 | R341-V353 WeakPolarHBondContact O-CG2 3.34Å; K342-V353 PolarHBondContact O-N 3.07Å; Q344-V353 HydrophobicContact CB-CG1 4.19Å; Q344-V353 HydrophobicContact CG-CB 4.24Å; Q344-V353 HydrophobicContact CG-CG1 3.58Å; Q344-V353 HydrophobicContact CG-CG2 3.54Å; W351-V353 VanDerWaalsContact CD1-CG1 3.4Å; V353-G358 CarbonylContact C-O 3.59Å; V353-G358 WeakPolarHBondContact CA-O 3.39Å; V353-G358 WeakPolarHBondContact CB-O 3.15Å |
| 354 | D | 88 | Confident | 88.6 | Confident | 75 Ų | 75 | 60.8 Ų | 60.8 | 40% | 0.401 | 37% | 0.365 | S | S | . | . | trans | -74.2 | 178.4 | 168.3 | 68.4 | 25.8 | 0 | 0 | 0 | 112.2 | N356 G357 G358 | D354-N356 PolarHBondContact O-N 2.84Å; D354-N356 VanDerWaalsContact O-N 3.15Å; D354-N356 VanDerWaalsContact OD1-C 3.25Å; D354-N356 VanDerWaalsContact OD1-CA 3.27Å; D354-N356 WeakPolarHBondContact OD1-CA 3.27Å; D354-N356 WeakPolarHBondContact OD1-CB 3.44Å; D354-N356 PolarHBondContact OD1-N 3.34Å; D354-G357 PolarHBondContact O-N 3.24Å; D354-G357 PolarHBondContact OD1-N 3.38Å; D354-G358 PolarHBondContact N-O 2.76Å; D354-G358 PolarHBondContact OD1-N 3.05Å | ||
| 355 | Q | 85.4 | Confident | 88.5 | Confident | 88 Ų | 88 | 64.4 Ų | 64.4 | 41% | 0.411 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -22.3 | 179.3 | -161 | 77.8 | 16.6 | 0 | 0 | 112.9 | Y339 Y340 | Y339-Q355 HydrophobicContact CD1-CG 3.44Å; Y339-Q355 VanDerWaalsContact CD1-CG 3.44Å; Y339-Q355 HydrophobicContact CD2-CG 4.49Å; Y339-Q355 VanDerWaalsContact CD2-NE2 3.27Å; Y339-Q355 HydrophobicContact CE1-CG 4.04Å; Y339-Q355 HydrophobicContact CG-CG 3.69Å; Y340-Q355 PolarHBondContact N-O 3.16Å |
| 356 | N | 83.9 | Confident | 88.3 | Confident | 113 Ų | 113 | 71.2 Ų | 71.2 | 60% | 0.604 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -6.1 | -175.5 | -66.7 | 80.2 | 0 | 0 | 0 | 113.5 | Y340 D354 | Y340-N356 VanDerWaalsContact CE2-C 3.49Å; Y340-N356 WeakPolarHBondContact CE2-O 2.79Å; D354-N356 PolarHBondContact O-N 2.84Å; D354-N356 VanDerWaalsContact O-N 3.15Å; D354-N356 VanDerWaalsContact OD1-C 3.25Å; D354-N356 VanDerWaalsContact OD1-CA 3.27Å; D354-N356 WeakPolarHBondContact OD1-CA 3.27Å; D354-N356 WeakPolarHBondContact OD1-CB 3.44Å; D354-N356 PolarHBondContact OD1-N 3.34Å |
| 357 | G | 85.3 | Confident | 88 | Confident | 29 Ų | 29 | 70.8 Ų | 70.8 | 30% | 0.299 | 41% | 0.406 | S | S | . | . | S | Bend | trans | 95.9 | 7.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | D354 | D354-G357 PolarHBondContact O-N 3.24Å; D354-G357 PolarHBondContact OD1-N 3.38Å |
| 358 | G | 88.8 | Confident | 87.9 | Confident | 32 Ų | 32 | 70 Ų | 70 | 33% | 0.33 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 124.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V353 D354 | V353-G358 CarbonylContact C-O 3.59Å; V353-G358 WeakPolarHBondContact CA-O 3.39Å; V353-G358 WeakPolarHBondContact CB-O 3.15Å; D354-G358 PolarHBondContact N-O 2.76Å; D354-G358 PolarHBondContact OD1-N 3.05Å |
| 359 | E | 91.1 | Very high | 87.9 | Confident | 80 Ų | 80 | 67.9 Ų | 67.9 | 37% | 0.374 | 38% | 0.384 | S | S | . | . | B | Isolated β-bridge | trans | -69.3 | 129.1 | 176 | 176.8 | 172.5 | 177.4 | 0 | 0 | 110.8 | W351 A361 R364 | W351-E359 HydrophobicContact CB-CG 4.2Å; W351-E359 HydrophobicContact CG-CG 4.02Å; E359-A361 PolarHBondContact O-N 2.78Å; E359-R364 WeakPolarHBondContact OE1-CB 3.49Å; E359-R364 IonicContact OE1-CZ 3.57Å; E359-R364 IonicContact OE1-NE 3.98Å; E359-R364 PolarHBondContact OE1-NE 2.84Å; E359-R364 IonicContact OE1-NH2 3.1Å; E359-R364 PolarHBondContact OE1-NH2 3.04Å; E359-R364 IonicContact OE2-CZ 3.02Å; E359-R364 IonicContact OE2-NE 3.9Å; E359-R364 IonicContact OE2-NH2 2.7Å; E359-R364 PolarHBondContact OE2-NH2 2.81Å |
| 360 | V | 89.1 | Confident | 87.6 | Confident | 77 Ų | 77 | 70.7 Ų | 70.7 | 47% | 0.467 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -70 | 118.7 | 171.8 | -179.7 | 0 | 0 | 0 | 0 | 108.1 | C352 G362 S363 | C352-V360 HydrophobicContact CB-CB 4.24Å; C352-V360 HydrophobicContact CB-CG2 4.11Å; C352-V360 PolarHBondContact O-N 3.12Å; V360-G362 PolarHBondContact O-N 2.87Å; V360-S363 VanDerWaalsContact O-CB 3.28Å; V360-S363 WeakPolarHBondContact O-CB 3.45Å; V360-S363 PolarHBondContact O-N 3.2Å; V360-S363 VanDerWaalsContact O-N 3.09Å; V360-S363 PolarHBondContact O-OG 2.85Å |
| 361 | A | 86.2 | Confident | 87.1 | Confident | 99 Ų | 99 | 71.3 Ų | 71.3 | 82% | 0.818 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 129.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E359 S363 | E359-A361 PolarHBondContact O-N 2.78Å; A361-S363 VanDerWaalsContact C-N 3.31Å; A361-S363 PolarHBondContact O-N 2.83Å |
| 362 | G | 84.1 | Confident | 86.4 | Confident | 80 Ų | 80 | 76.2 Ų | 76.2 | 83% | 0.825 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | 1.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | V360 | V360-G362 PolarHBondContact O-N 2.87Š|
| 363 | S | 88.6 | Confident | 85.1 | Confident | 20 Ų | 20 | 79.4 Ų | 79.4 | 14% | 0.14 | 46% | 0.455 | C | S | . | . | trans | -82.7 | -7.4 | -179.2 | 68.2 | 0 | 0 | 0 | 0 | 114.9 | C352 V360 A361 I365 | C352-S363 PolarHBondContact N-OG 2.96Å; C352-S363 PolarHBondContact O-OG 3.4Å; V360-S363 VanDerWaalsContact O-CB 3.28Å; V360-S363 WeakPolarHBondContact O-CB 3.45Å; V360-S363 PolarHBondContact O-N 3.2Å; V360-S363 VanDerWaalsContact O-N 3.09Å; V360-S363 PolarHBondContact O-OG 2.85Å; A361-S363 VanDerWaalsContact C-N 3.31Å; A361-S363 PolarHBondContact O-N 2.83Å; S363-I365 PolarHBondContact O-N 3.43Å | ||
| 364 | R | 90.3 | Very high | 83.1 | Confident | 111 Ų | 111 | 86.8 Ų | 86.8 | 42% | 0.419 | 49% | 0.489 | S | S | . | . | trans | -75.7 | 113.2 | -176.2 | -172.8 | -179.9 | -69.4 | -125.2 | 0 | 112.3 | E349 C350 W351 E359 | E349-R364 HydrophobicContact CB-CG 4.33Å; E349-R364 IonicContact OE2-NH1 3.79Å; C350-R364 CarbonylContact O-C 3.44Å; C350-R364 WeakPolarHBondContact O-CA 3.37Å; W351-R364 HydrophobicContact CB-CB 4Å; W351-R364 HydrophobicContact CB-CG 4.41Å; W351-R364 HydrophobicContact CE3-CG 4.31Å; E359-R364 WeakPolarHBondContact OE1-CB 3.49Å; E359-R364 IonicContact OE1-CZ 3.57Å; E359-R364 IonicContact OE1-NE 3.98Å; E359-R364 PolarHBondContact OE1-NE 2.84Å; E359-R364 IonicContact OE1-NH2 3.1Å; E359-R364 PolarHBondContact OE1-NH2 3.04Å; E359-R364 IonicContact OE2-CZ 3.02Å; E359-R364 IonicContact OE2-NE 3.9Å; E359-R364 IonicContact OE2-NH2 2.7Å; E359-R364 PolarHBondContact OE2-NH2 2.81Å | ||
| 365 | I | 88.6 | Confident | 81.5 | Confident | 79 Ų | 79 | 92.2 Ų | 92.2 | 41% | 0.405 | 51% | 0.514 | S | S | . | . | B | Isolated β-bridge | trans | -134.3 | 155.3 | -179.5 | 66.4 | 171.8 | 0 | 0 | 0 | 112 | E349 C350 S363 G367 P369 | E349-I365 WeakPolarHBondContact CA-O 3.4Å; C350-I365 PolarHBondContact N-O 3.09Å; C350-I365 PolarHBondContact O-N 2.84Å; S363-I365 PolarHBondContact O-N 3.43Å; I365-G367 PolarHBondContact O-N 3.38Å; I365-G367 VanDerWaalsContact O-N 3.16Å; I365-P369 HydrophobicContact CD1-CB 3.89Å; I365-P369 HydrophobicContact CG1-CB 4.01Å; I365-P369 HydrophobicContact CG1-CG 4.45Å |
| 366 | R | 86 | Confident | 79.5 | Confident | 208 Ų | 208 | 93.3 Ų | 93.3 | 79% | 0.785 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -82.9 | 85.3 | 168.7 | -73.8 | -177.2 | -177.6 | 164.1 | 2.9 | 109.7 | E349 | E349-R366 HydrophobicContact CG-CG 3.65Å; E349-R366 IonicContact OE1-CZ 3.71Å; E349-R366 IonicContact OE1-NE 3.17Å; E349-R366 PolarHBondContact OE1-NE 2.67Å; E349-R366 VanDerWaalsContact OE1-NE 3.12Å; E349-R366 IonicContact OE1-NH2 2.77Å; E349-R366 PolarHBondContact OE1-NH2 3.15Å; E349-R366 VanDerWaalsContact OE1-NH2 3.1Å |
| 367 | G | 83.5 | Confident | 77.8 | Confident | 36 Ų | 36 | 95.7 Ų | 95.7 | 37% | 0.371 | 53% | 0.529 | S | S | . | . | S | Bend | trans | 157 | -160.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | C350 I365 P369 | C350-G367 VanDerWaalsContact CB-O 3.22Å; C350-G367 WeakPolarHBondContact CB-O 3.48Å; C350-G367 PolarHBondContact SG-O 2.94Å; I365-G367 PolarHBondContact O-N 3.38Å; I365-G367 VanDerWaalsContact O-N 3.16Å; G367-P369 VanDerWaalsContact O-CD 3.29Å; G367-P369 WeakPolarHBondContact O-CD 3.19Å |
| 368 | K | 83.3 | Confident | 76 | Confident | 173 Ų | 173 | 100.3 Ų | 100.3 | 75% | 0.752 | 56% | 0.557 | S | S | * | * | trans | -96.3 | 106.2 | 176.1 | -172.1 | -176.7 | -179.5 | -168.7 | 0 | 109.3 | ||||
| 369 | P | 83.3 | Confident | 74 | Confident | 11 Ų | 11 | 100.2 Ų | 100.2 | 7% | 0.071 | 56% | 0.555 | C | S | . | * | trans | -68.7 | 146.7 | 172.8 | 28.3 | -35.1 | 0 | 0 | 0 | 110.1 | Q343 C350 I365 G367 | Q343-P369 HydrophobicContact CG-CG 4.07Å; C350-P369 VanDerWaalsContact CB-CD 3.41Å; C350-P369 HydrophobicContact CB-CG 3.97Å; I365-P369 HydrophobicContact CD1-CB 3.89Å; I365-P369 HydrophobicContact CG1-CB 4.01Å; I365-P369 HydrophobicContact CG1-CG 4.45Å; G367-P369 VanDerWaalsContact O-CD 3.29Å; G367-P369 WeakPolarHBondContact O-CD 3.19Å | ||
| 370 | D | 84.2 | Confident | 71.9 | Confident | 121 Ų | 121 | 103.4 Ų | 103.4 | 65% | 0.647 | 58% | 0.575 | S | S | * | * | trans | -85.8 | 110.9 | 167.8 | -171.2 | -1.5 | 0 | 0 | 0 | 108.3 | D372 | D370-D372 PolarHBondContact OD1-N 3.3Å; D370-D372 VanDerWaalsContact OD1-N 3.13Å | ||
| 371 | C | 82.6 | Confident | 69.8 | Low | 25 Ų | 25 | 108.5 Ų | 108.5 | 17% | 0.169 | 59% | 0.591 | C | S | . | * | trans | -107.3 | 8.5 | -178.3 | -53.8 | 0 | 0 | 0 | 0 | 112.2 | K342 C352 | K342-C371 HydrophobicContact CB-CB 3.92Å; K342-C371 WeakPolarHBondContact CD-O 3.28Å; C352-C371 VanDerWaalsContact CA-SG 3.52Å; C352-C371 HydrophobicContact CB-CB 3.87Å; C352-C371 WeakPolarHBondContact CB-SG 3.5Å; C352-C371 WeakPolarHBondContact SG-CA 3.5Å; C352-C371 WeakPolarHBondContact SG-CB 3.34Å; C352-C371 CovalentContact SG-SG 2.04Å; C352-C371 PolarHBondContact SG-SG 3.32Å | ||
| 372 | D | 77.3 | Confident | 68.2 | Low | 120 Ų | 120 | 106 Ų | 106 | 64% | 0.642 | 58% | 0.575 | S | S | * | * | trans | -100 | -4.9 | 178.5 | -78.8 | -30.1 | 0 | 0 | 0 | 113.4 | K342 D370 E374 | K342-D372 IonicContact NZ-OD1 2.85Å; K342-D372 PolarHBondContact NZ-OD1 3.46Å; D370-D372 PolarHBondContact OD1-N 3.3Å; D370-D372 VanDerWaalsContact OD1-N 3.13Å; D372-E374 PolarHBondContact O-N 2.87Å | ||
| 373 | S | 65.1 | Low | 66.4 | Low | 82 Ų | 82 | 107.5 Ų | 107.5 | 57% | 0.573 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -59.3 | 116.9 | 164.3 | 63.1 | 0 | 0 | 0 | 0 | 107.7 | ||
| 374 | E | 50.6 | Low | 64.5 | Low | 164 Ų | 164 | 111.7 Ų | 111.7 | 77% | 0.766 | 61% | 0.608 | S | S | * | * | trans | -41.3 | 151.3 | 167.3 | -71 | -173.9 | 147.1 | 0 | 0 | 109.2 | D372 T376 | D372-E374 PolarHBondContact O-N 2.87Å; E374-T376 PolarHBondContact O-N 3Å | ||
| 375 | M | 53.8 | Low | 62.3 | Low | 189 Ų | 189 | 111.1 Ų | 111.1 | 93% | 0.931 | 62% | 0.617 | S | S | * | * | trans | -59.2 | 71 | 168.3 | -60.6 | -177.8 | -173.7 | 0 | 0 | 109.7 | Y377 | M375-Y377 PolarHBondContact O-N 2.77Š| ||
| 376 | T | 45 | Very low | 60.2 | Low | 111 Ų | 111 | 110.8 Ų | 110.8 | 68% | 0.681 | 63% | 0.634 | S | S | * | * | trans | -71.2 | 77.6 | 159.1 | 49.7 | 0 | 0 | 0 | 0 | 104.3 | E374 S378 | E374-T376 PolarHBondContact O-N 3Å; T376-S378 PolarHBondContact O-N 3.1Å | ||
| 377 | Y | 46.8 | Very low | 58 | Low | 163 Ų | 163 | 111.9 Ų | 111.9 | 64% | 0.639 | 64% | 0.638 | S | S | * | * | 9.3 | 82.1 | 121.7 | -153 | -97.6 | 0 | 0 | 0 | 111.1 | M375 G379 F381 | M375-Y377 PolarHBondContact O-N 2.77Å; Y377-G379 VanDerWaalsContact CD1-N 3.29Å; Y377-G379 PolarHBondContact O-N 2.83Å; Y377-F381 HydrophobicContact CD1-CD2 4.16Å; Y377-F381 HydrophobicContact CD1-CE2 4.12Å; Y377-F381 AromaticContact CE1-CD2 3.44Å; Y377-F381 HydrophobicContact CE1-CD2 3.44Å; Y377-F381 VanDerWaalsContact CE1-CD2 3.44Å; Y377-F381 AromaticContact CE1-CE2 3.15Å; Y377-F381 HydrophobicContact CE1-CE2 3.15Å; Y377-F381 HydrophobicContact CE1-CZ 4.16Å; Y377-F381 AromaticContact CZ-CE2 3.62Å; Y377-F381 WeakPolarHBondContact OH-CE2 3.47Å | |||
| 378 | S | 47.1 | Very low | 55.9 | Low | 126 Ų | 126 | 118.5 Ų | 118.5 | 88% | 0.881 | 66% | 0.659 | S | S | * | * | trans | -72.4 | 50.9 | 148.2 | -179.9 | 0 | 0 | 0 | 0 | 107.5 | T376 | T376-S378 PolarHBondContact O-N 3.1Š| ||
| 379 | G | 47.1 | Very low | 54 | Low | 29 Ų | 29 | 117.8 Ų | 117.8 | 30% | 0.299 | 66% | 0.663 | S | S | . | * | trans | -88.7 | 101.6 | 152.4 | 0 | 0 | 0 | 0 | 0 | 105.4 | Y377 F381 | Y377-G379 VanDerWaalsContact CD1-N 3.29Å; Y377-G379 PolarHBondContact O-N 2.83Å; G379-F381 PolarHBondContact O-N 2.96Å | ||
| 380 | D | 47 | Very low | 52.3 | Low | 148 Ų | 148 | 126.3 Ų | 126.3 | 79% | 0.791 | 70% | 0.702 | S | S | * | * | trans | -45.3 | 85.5 | 152.4 | -177.9 | 24.3 | 0 | 0 | 0 | 109.6 | G382 | D380-G382 PolarHBondContact O-N 3.14Å; D380-G382 VanDerWaalsContact O-N 3.14Å | ||
| 381 | F | 45.9 | Very low | 50.4 | Low | 184 Ų | 184 | 129.5 Ų | 129.5 | 81% | 0.807 | 71% | 0.713 | S | S | * | * | trans | -82.2 | 71.7 | 161.3 | -88 | -70.1 | 0 | 0 | 0 | 107.4 | Y377 G379 | Y377-F381 HydrophobicContact CD1-CD2 4.16Å; Y377-F381 HydrophobicContact CD1-CE2 4.12Å; Y377-F381 AromaticContact CE1-CD2 3.44Å; Y377-F381 HydrophobicContact CE1-CD2 3.44Å; Y377-F381 VanDerWaalsContact CE1-CD2 3.44Å; Y377-F381 AromaticContact CE1-CE2 3.15Å; Y377-F381 HydrophobicContact CE1-CE2 3.15Å; Y377-F381 HydrophobicContact CE1-CZ 4.16Å; Y377-F381 AromaticContact CZ-CE2 3.62Å; Y377-F381 WeakPolarHBondContact OH-CE2 3.47Å; G379-F381 PolarHBondContact O-N 2.96Å | ||
| 382 | G | 51.9 | Low | 48.8 | Very low | 47 Ų | 47 | 137.8 Ų | 137.8 | 49% | 0.485 | 75% | 0.749 | S | S | . | * | trans | -130 | 40.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D380 | D380-G382 PolarHBondContact O-N 3.14Å; D380-G382 VanDerWaalsContact O-N 3.14Å | ||
| 383 | S | 47.1 | Very low | 47 | Very low | 111 Ų | 111 | 140.8 Ų | 140.8 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | -161.3 | 94 | 159.2 | -79.9 | 0 | 0 | 0 | 0 | 110.6 | V385 | S383-V385 PolarHBondContact O-N 3.31Š| ||
| 384 | A | 48.3 | Very low | 45.7 | Very low | 107 Ų | 107 | 145.6 Ų | 145.6 | 88% | 0.884 | 77% | 0.77 | S | S | * | * | trans | -75.4 | 97.5 | 158 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 385 | V | 44.2 | Very low | 45.2 | Very low | 99 Ų | 99 | 142.2 Ų | 142.2 | 60% | 0.6 | 77% | 0.77 | S | S | * | * | trans | -149 | 110.9 | 155.2 | -69.7 | 0 | 0 | 0 | 0 | 103.9 | S383 | S383-V385 PolarHBondContact O-N 3.31Š| ||
| 386 | G | 45.3 | Very low | 44.3 | Very low | 73 Ų | 73 | 142 Ų | 142 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | 75.5 | 56 | 60.3 | 0 | 0 | 0 | 0 | 0 | 109 | |||||
| 387 | W | 39.1 | Very low | 44.1 | Very low | 231 Ų | 231 | 145.4 Ų | 145.4 | 88% | 0.875 | 78% | 0.775 | S | S | * | * | trans | -115.7 | 84.7 | 167.3 | -63.5 | 98.1 | 0 | 0 | 0 | 106.5 | ||||
| 388 | E | 39.1 | Very low | 43.5 | Very low | 175 Ų | 175 | 144.2 Ų | 144.2 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -57.8 | 157 | 155.3 | -68.9 | 171.3 | 150.8 | 0 | 0 | 109.2 | E390 | E388-E390 PolarHBondContact O-N 3.44Š| ||
| 389 | D | 43.9 | Very low | 43 | Very low | 157 Ų | 157 | 143 Ų | 143 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | trans | -47.2 | 124.5 | 179 | -49.5 | -65.9 | 0 | 0 | 0 | 112.3 | ||||
| 390 | E | 47.7 | Very low | 42.7 | Very low | 191 Ų | 191 | 150.9 Ų | 150.9 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | trans | -141 | 90.5 | 154.6 | -74.7 | -160.4 | 160.7 | 0 | 0 | 109.9 | E388 | E388-E390 PolarHBondContact O-N 3.44Š| ||
| 391 | E | 44.3 | Very low | 42.1 | Very low | 188 Ų | 188 | 153.3 Ų | 153.3 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | 3.2 | 129.8 | 129.2 | -152.6 | 166.7 | -169.2 | 0 | 0 | 116.5 | K393 | E391-K393 PolarHBondContact O-N 3.29Š| |||
| 392 | E | 47.5 | Very low | 41.6 | Very low | 198 Ų | 198 | 149.3 Ų | 149.3 | 93% | 0.925 | 82% | 0.82 | S | S | * | * | trans | -51.1 | 118.9 | 173.3 | -61.2 | 173.7 | 160.5 | 0 | 0 | 111.7 | ||||
| 393 | K | 41 | Very low | 40.9 | Very low | 184 Ų | 184 | 155.5 Ų | 155.5 | 80% | 0.8 | 84% | 0.836 | S | S | * | * | trans | -143.6 | 101.6 | 158.8 | -153.2 | 176.8 | -178.3 | -176.7 | 0 | 111 | E391 | E391-K393 PolarHBondContact O-N 3.29Š| ||
| 394 | E | 36.7 | Very low | 40.3 | Very low | 183 Ų | 183 | 158.4 Ų | 158.4 | 86% | 0.855 | 84% | 0.837 | S | S | * | * | trans | -69.9 | 143 | 161.5 | -65.9 | -159.3 | 153.3 | 0 | 0 | 110.4 | ||||
| 395 | A | 39.8 | Very low | 39.9 | Very low | 93 Ų | 93 | 161.5 Ų | 161.5 | 77% | 0.769 | 83% | 0.833 | S | S | * | * | trans | 52.1 | 98.4 | 156.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 396 | E | 36.4 | Very low | 39.6 | Very low | 185 Ų | 185 | 165.7 Ų | 165.7 | 86% | 0.864 | 85% | 0.846 | S | S | * | * | trans | -81.5 | 107.6 | 144.7 | -88.4 | -170.8 | 160.3 | 0 | 0 | 109.2 | ||||
| 397 | E | 39.5 | Very low | 39 | Very low | 181 Ų | 181 | 166 Ų | 166 | 85% | 0.846 | 85% | 0.849 | S | S | * | * | trans | -80.3 | 137.3 | 142.6 | -79.5 | -167.9 | 158.5 | 0 | 0 | 108.8 | ||||
| 398 | T | 34.3 | Very low | 38.9 | Very low | 139 Ų | 139 | 163.6 Ų | 163.6 | 85% | 0.853 | 85% | 0.848 | S | S | * | * | trans | -41.4 | 131.2 | 169.3 | 47.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 399 | A | 37.7 | Very low | 38.9 | Very low | 101 Ų | 101 | 160.6 Ų | 160.6 | 84% | 0.835 | 84% | 0.842 | S | S | * | * | trans | -177 | 129.5 | 132.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 400 | E | 40.9 | Very low | 38.7 | Very low | 193 Ų | 193 | 160.6 Ų | 160.6 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | trans | -67.2 | 155.4 | 176.9 | -64.7 | 172.9 | 147 | 0 | 0 | 112.7 | ||||
| 401 | E | 34.4 | Very low | 38.6 | Very low | 199 Ų | 199 | 159.2 Ų | 159.2 | 93% | 0.93 | 83% | 0.83 | S | S | * | * | trans | -56.3 | 136.7 | 173.7 | -59.2 | 176 | 156.4 | 0 | 0 | 112 | ||||
| 402 | A | 35 | Very low | 38.4 | Very low | 101 Ų | 101 | 156.3 Ų | 156.3 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | trans | -125.4 | 117.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 403 | E | 35.9 | Very low | 38.2 | Very low | 177 Ų | 177 | 153 Ų | 153 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | trans | -78.5 | 139.6 | 166.2 | -70.6 | -171.3 | 157.4 | 0 | 0 | 110.8 | ||||
| 404 | E | 36 | Very low | 38.4 | Very low | 171 Ų | 171 | 150.7 Ų | 150.7 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | trans | 58 | 128.8 | 144.8 | -59.5 | -171.6 | 171.9 | 0 | 0 | 123.6 | ||||
| 405 | E | 38.7 | Very low | 38.7 | Very low | 172 Ų | 172 | 145.9 Ų | 145.9 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | 48.5 | 107.4 | 141.6 | -70.5 | -158 | 148.9 | 0 | 0 | 122.7 | ||||
| 406 | E | 38.6 | Very low | 38.7 | Very low | 187 Ų | 187 | 145.1 Ų | 145.1 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | 154.8 | 134.7 | 103.9 | -81.5 | -150.5 | 166.6 | 0 | 0 | 110 | |||||
| 407 | G | 32.3 | Very low | 39.4 | Very low | 79 Ų | 79 | 146.9 Ų | 146.9 | 81% | 0.814 | 81% | 0.81 | S | S | * | * | trans | 145.5 | 67.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 408 | E | 37.4 | Very low | 39.7 | Very low | 181 Ų | 181 | 145.4 Ų | 145.4 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | 23.2 | 129.6 | 146.1 | -81 | -170.8 | 168.5 | 0 | 0 | 123 | ||||
| 409 | V | 39.7 | Very low | 40.5 | Very low | 113 Ų | 113 | 153.7 Ų | 153.7 | 69% | 0.685 | 82% | 0.823 | S | S | * | * | trans | 81.4 | 135.2 | 131.8 | 177.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 410 | E | 39.5 | Very low | 40.7 | Very low | 156 Ų | 156 | 156.4 Ų | 156.4 | 73% | 0.729 | 82% | 0.822 | S | S | * | * | cis | -163.3 | 129 | 14.3 | -133.3 | 163.3 | 156.7 | 0 | 0 | 104.2 | ||||
| 411 | E | 44.1 | Very low | 40.6 | Very low | 163 Ų | 163 | 154.4 Ų | 154.4 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | 83.7 | 144.8 | 104.7 | -76.1 | -153.7 | -174.3 | 0 | 0 | 119.6 | |||||
| 412 | V | 41.8 | Very low | 41 | Very low | 127 Ų | 127 | 151.9 Ų | 151.9 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | trans | 82.5 | 135.4 | 155.7 | -159.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 413 | D | 41.9 | Very low | 41.3 | Very low | 127 Ų | 127 | 154.9 Ų | 154.9 | 68% | 0.679 | 81% | 0.811 | S | S | * | * | cis | -178.1 | 166.9 | -20.1 | -171.4 | 10.5 | 0 | 0 | 0 | 104.9 | ||||
| 414 | D | 45.5 | Very low | 41.7 | Very low | 137 Ų | 137 | 153.6 Ų | 153.6 | 73% | 0.733 | 81% | 0.81 | S | S | * | * | trans | 77.9 | 94.1 | 154.2 | -74.8 | -37.6 | 0 | 0 | 0 | 120.2 | ||||
| 415 | G | 43 | Very low | 42.1 | Very low | 81 Ų | 81 | 152.4 Ų | 152.4 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | 89.5 | 131.8 | 86.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 416 | G | 40.1 | Very low | 42.3 | Very low | 77 Ų | 77 | 151 Ų | 151 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | 140.1 | 81.9 | 148.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 417 | Y | 50.7 | Low | 42.6 | Very low | 222 Ų | 222 | 148.2 Ų | 148.2 | 87% | 0.871 | 81% | 0.806 | S | S | * | * | trans | -56.7 | 148.1 | 153.5 | -68.2 | -95 | 0 | 0 | 0 | 110.7 | ||||
| 418 | I | 46.6 | Very low | 43.4 | Very low | 151 Ų | 151 | 154 Ų | 154 | 77% | 0.774 | 81% | 0.805 | S | S | * | * | -175.2 | 123.2 | 124.3 | 32.5 | -146.1 | 0 | 0 | 0 | 114.3 | |||||
| 419 | W | 51.1 | Low | 44 | Very low | 313 Ų | 313 | 151.5 Ų | 151.5 | 100% | 1.186 | 80% | 0.801 | S | S | * | * | trans | 58.5 | 0 | 152.2 | -61.7 | 92.7 | 0 | 0 | 0 | 122 |
Retrieved 419 of 419 residues in 624.6 ms
(Link to these results)