| 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 | A | 91.5 | Very high | 94.4 | Very high | 94 Ų | 94 | 131.7 Ų | 131.7 | 78% | 0.777 | 68% | 0.682 | S | S | * | * | 0 | -93.6 | 0 | 0 | 0 | 0 | 0 | 0 | 113.5 | R3 E4 I5 | A1-R3 VanDerWaalsContact C-N 3.29Å; A1-R3 PolarHBondContact O-N 2.82Å; A1-R3 VanDerWaalsContact O-N 3.14Å; A1-E4 VanDerWaalsContact CA-OE2 3.29Å; A1-E4 WeakPolarHBondContact CA-OE2 3.47Å; A1-E4 PolarHBondContact N-OE1 2.91Å; A1-E4 PolarHBondContact N-OE2 2.98Å; A1-E4 PolarHBondContact O-N 2.86Å; A1-E4 VanDerWaalsContact O-N 3.09Å; A1-I5 PolarHBondContact O-N 3.14Å | |||
| 2 | R | 94.8 | Very high | 94.3 | Very high | 234 Ų | 234 | 136.2 Ų | 136.2 | 88% | 0.883 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -60.9 | -28.1 | -166.6 | -76.7 | -170.9 | -179.4 | -180 | 1.7 | 115.3 | I5 G6 | R2-I5 WeakPolarHBondContact O-CG2 3.22Å; R2-G6 PolarHBondContact O-N 3.17Å |
| 3 | R | 93.9 | Very high | 94 | Very high | 218 Ų | 218 | 137.7 Ų | 137.7 | 82% | 0.823 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -73.9 | -42.4 | 175.1 | -174 | 177.8 | -72.7 | -173.8 | -1.5 | 111.8 | A1 G6 | A1-R3 VanDerWaalsContact C-N 3.29Å; A1-R3 PolarHBondContact O-N 2.82Å; A1-R3 VanDerWaalsContact O-N 3.14Å; R3-G6 PolarHBondContact O-N 2.91Å |
| 4 | E | 94.8 | Very high | 93.8 | Very high | 119 Ų | 119 | 136.4 Ų | 136.4 | 56% | 0.556 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -65.1 | -44.4 | 178.6 | -55.6 | 100.5 | -101.9 | 0 | 0 | 112.5 | A1 G6 I7 | A1-E4 VanDerWaalsContact CA-OE2 3.29Å; A1-E4 WeakPolarHBondContact CA-OE2 3.47Å; A1-E4 PolarHBondContact N-OE1 2.91Å; A1-E4 PolarHBondContact N-OE2 2.98Å; A1-E4 PolarHBondContact O-N 2.86Å; A1-E4 VanDerWaalsContact O-N 3.09Å; E4-G6 PolarHBondContact O-N 2.93Å; E4-I7 WeakPolarHBondContact O-CG1 3.46Å; E4-I7 PolarHBondContact O-N 2.91Å |
| 5 | I | 94.2 | Very high | 93.6 | Very high | 106 Ų | 106 | 134.7 Ų | 134.7 | 54% | 0.544 | 71% | 0.71 | S | S | . | * | H | α-helix | trans | -65.6 | -29.2 | 178 | -166.5 | 62 | 0 | 0 | 0 | 111.9 | A1 R2 I7 L8 | A1-I5 PolarHBondContact O-N 3.14Å; R2-I5 WeakPolarHBondContact O-CG2 3.22Å; I5-I7 VanDerWaalsContact C-N 3.32Å; I5-I7 PolarHBondContact O-N 3.42Å; I5-L8 PolarHBondContact O-N 2.72Å |
| 6 | G | 95.8 | Very high | 93.7 | Very high | 32 Ų | 32 | 140.9 Ų | 140.9 | 33% | 0.33 | 72% | 0.721 | S | S | . | * | H | α-helix | trans | -61.3 | -33.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R2 R3 E4 L8 T9 | R2-G6 PolarHBondContact O-N 3.17Å; R3-G6 PolarHBondContact O-N 2.91Å; E4-G6 PolarHBondContact O-N 2.93Å; G6-L8 PolarHBondContact O-N 2.57Å; G6-T9 PolarHBondContact O-N 3.44Å; G6-T9 VanDerWaalsContact O-N 3.09Å; G6-T9 PolarHBondContact O-OG1 3.38Å |
| 7 | I | 95.9 | Very high | 93.7 | Very high | 139 Ų | 139 | 138.5 Ų | 138.5 | 71% | 0.713 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -16.7 | 179.7 | 83.9 | -164.9 | 0 | 0 | 0 | 112.7 | E4 I5 | E4-I7 WeakPolarHBondContact O-CG1 3.46Å; E4-I7 PolarHBondContact O-N 2.91Å; I5-I7 VanDerWaalsContact C-N 3.32Å; I5-I7 PolarHBondContact O-N 3.42Å |
| 8 | L | 95.6 | Very high | 93.8 | Very high | 141 Ų | 141 | 138.7 Ų | 138.7 | 74% | 0.738 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 1.1 | 176.8 | -56.1 | 179.3 | 0 | 0 | 0 | 112.4 | I5 G6 | I5-L8 PolarHBondContact O-N 2.72Å; G6-L8 PolarHBondContact O-N 2.57Å |
| 9 | T | 93.5 | Very high | 94 | Very high | 99 Ų | 99 | 143.1 Ų | 143.1 | 61% | 0.607 | 73% | 0.725 | S | S | * | * | trans | -104.5 | 147.4 | 177.7 | 61 | 0 | 0 | 0 | 0 | 111.9 | G6 | G6-T9 PolarHBondContact O-N 3.44Å; G6-T9 VanDerWaalsContact O-N 3.09Å; G6-T9 PolarHBondContact O-OG1 3.38Å | ||
| 10 | T | 93.6 | Very high | 94 | Very high | 133 Ų | 133 | 143.3 Ų | 143.3 | 82% | 0.816 | 73% | 0.726 | S | S | * | * | trans | -128.7 | 163.6 | 169.1 | -172 | 0 | 0 | 0 | 0 | 109.7 | K12 | T10-K12 PolarHBondContact O-N 2.83Š| ||
| 11 | N | 94.6 | Very high | 94.1 | Very high | 134 Ų | 134 | 142.4 Ų | 142.4 | 72% | 0.717 | 72% | 0.722 | S | S | * | * | trans | -64.8 | 122.2 | -177.6 | -70.9 | 21.4 | 0 | 0 | 0 | 110.5 | N13 | N11-N13 PolarHBondContact O-N 3.22Å; N11-N13 PolarHBondContact O-OD1 3.44Å | ||
| 12 | K | 94.1 | Very high | 94.2 | Very high | 185 Ų | 185 | 141.3 Ų | 141.3 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | trans | -74.8 | 103.8 | 166.4 | 61.8 | 177.7 | -173.4 | 175.8 | 0 | 109.6 | T10 T14 | T10-K12 PolarHBondContact O-N 2.83Å; K12-T14 PolarHBondContact O-N 2.75Å | ||
| 13 | N | 90.4 | Very high | 94.3 | Very high | 156 Ų | 156 | 134.4 Ų | 134.4 | 83% | 0.834 | 70% | 0.699 | S | S | * | * | trans | -73.1 | 70.3 | 175.2 | -66.6 | 92.9 | 0 | 0 | 0 | 111.3 | N11 | N11-N13 PolarHBondContact O-N 3.22Å; N11-N13 PolarHBondContact O-OD1 3.44Å | ||
| 14 | T | 90.3 | Very high | 94.4 | Very high | 119 Ų | 119 | 129.2 Ų | 129.2 | 73% | 0.73 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 120.2 | 172.4 | -178.7 | 0 | 0 | 0 | 0 | 109.9 | K12 | K12-T14 PolarHBondContact O-N 2.75Š|
| 15 | S | 90.5 | Very high | 94.4 | Very high | 111 Ų | 111 | 129.6 Ų | 129.6 | 78% | 0.776 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 136.7 | 174.5 | 49 | 0 | 0 | 0 | 0 | 110.3 | ||
| 16 | R | 95.3 | Very high | 94.4 | Very high | 235 Ų | 235 | 130.7 Ų | 130.7 | 89% | 0.887 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -103 | 127.7 | 169.6 | -165.6 | 179.5 | -163.8 | -89 | 4.8 | 108.2 | ||
| 17 | T | 94 | Very high | 94.4 | Very high | 100 Ų | 100 | 138 Ų | 138 | 61% | 0.613 | 74% | 0.74 | S | S | * | * | trans | -121.5 | 164.2 | 176.4 | -169 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 18 | H | 96.3 | Very high | 94.4 | Very high | 142 Ų | 142 | 140.7 Ų | 140.7 | 66% | 0.657 | 74% | 0.741 | S | S | * | * | trans | -79.9 | 150.7 | 171.4 | -71.8 | -114.7 | 0 | 0 | 0 | 109.9 | I20 I21 | H18-I20 WeakPolarHBondContact CB-O 3.32Å; H18-I20 PolarHBondContact O-N 2.92Å; H18-I21 HydrophobicContact CB-CG1 4.25Å | ||
| 19 | K | 96.3 | Very high | 94.4 | Very high | 221 Ų | 221 | 140.4 Ų | 140.4 | 96% | 0.961 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -64.7 | -28.4 | 177.8 | -68.6 | -173.1 | 177.3 | -175.7 | 0 | 112.9 | ||
| 20 | I | 95.1 | Very high | 94.6 | Very high | 147 Ų | 147 | 142.1 Ų | 142.1 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | trans | -134.5 | 135.6 | 177.6 | -57.6 | 175.4 | 0 | 0 | 0 | 106.2 | H18 | H18-I20 WeakPolarHBondContact CB-O 3.32Å; H18-I20 PolarHBondContact O-N 2.92Å | ||
| 21 | I | 95.4 | Very high | 94.7 | Very high | 126 Ų | 126 | 144.9 Ų | 144.9 | 65% | 0.646 | 75% | 0.753 | S | S | * | * | trans | -126.4 | 111.4 | 170.1 | -60.9 | 176.6 | 0 | 0 | 0 | 105.8 | H18 | H18-I21 HydrophobicContact CB-CG1 4.25Š| ||
| 22 | A | 94.9 | Very high | 94.8 | Very high | 70 Ų | 70 | 147.2 Ų | 147.2 | 58% | 0.579 | 75% | 0.753 | S | S | * | * | trans | -70.6 | 147 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | L26 | A22-L26 HydrophobicContact CB-CD2 4.39Š| ||
| 23 | P | 96.4 | Very high | 94.8 | Very high | 90 Ų | 90 | 143.2 Ų | 143.2 | 58% | 0.584 | 74% | 0.74 | S | S | * | * | trans | -64.9 | 145.7 | 173.2 | 28.9 | -34.3 | 0 | 0 | 0 | 110.5 | N25 L26 | P23-N25 PolarHBondContact O-N 3.14Å; P23-N25 VanDerWaalsContact O-N 3.16Å; P23-L26 HydrophobicContact CG-CD2 4.24Å | ||
| 24 | A | 95.2 | Very high | 94.9 | Very high | 109 Ų | 109 | 142.6 Ų | 142.6 | 90% | 0.901 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -63.2 | -22.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 25 | N | 95.9 | Very high | 95.2 | Very high | 126 Ų | 126 | 145 Ų | 145 | 67% | 0.674 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -116.9 | 122.5 | 163.5 | -66.9 | -87.1 | 0 | 0 | 0 | 107.3 | P23 | P23-N25 PolarHBondContact O-N 3.14Å; P23-N25 VanDerWaalsContact O-N 3.16Å |
| 26 | L | 94.4 | Very high | 95.3 | Very high | 129 Ų | 129 | 144.1 Ų | 144.1 | 68% | 0.675 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 155.2 | 167.5 | -59.3 | -179.7 | 0 | 0 | 0 | 109.7 | A22 P23 | A22-L26 HydrophobicContact CB-CD2 4.39Å; P23-L26 HydrophobicContact CG-CD2 4.24Å |
| 27 | E | 94.9 | Very high | 95.1 | Very high | 186 Ų | 186 | 138.2 Ų | 138.2 | 87% | 0.869 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 137 | 173.2 | -166.9 | 173.5 | 141.4 | 0 | 0 | 110.2 | ||
| 28 | R | 96.3 | Very high | 95 | Very high | 195 Ų | 195 | 137.3 Ų | 137.3 | 74% | 0.736 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 127.4 | 179.3 | -66.1 | -173.1 | -178.8 | 87.6 | 2.8 | 109 | V30 | R28-V30 PolarHBondContact O-N 2.84Š|
| 29 | P | 95.2 | Very high | 94.8 | Very high | 136 Ų | 136 | 137.4 Ų | 137.4 | 88% | 0.883 | 69% | 0.69 | S | S | * | * | trans | -57 | 112.4 | 174.1 | -25.7 | 35.2 | 0 | 0 | 0 | 111.3 | ||||
| 30 | V | 96.7 | Very high | 94.6 | Very high | 134 Ų | 134 | 130.9 Ų | 130.9 | 81% | 0.812 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 118.8 | 176.7 | -177.6 | 0 | 0 | 0 | 0 | 108.5 | R28 | R28-V30 PolarHBondContact O-N 2.84Š|
| 31 | R | 96.5 | Very high | 94.5 | Very high | 192 Ų | 192 | 129.5 Ų | 129.5 | 73% | 0.725 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 131.2 | 174.6 | -173.2 | -179.3 | 58.6 | 76 | -15.2 | 110 | ||
| 32 | Y | 96.3 | Very high | 94.5 | Very high | 183 Ų | 183 | 128.9 Ų | 128.9 | 72% | 0.718 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 145.5 | 171.2 | 177.1 | -102.9 | 0 | 0 | 0 | 112 | R34 | Y32-R34 HydrophobicContact CE1-CG 4.04Š|
| 33 | I | 94.5 | Very high | 94.3 | Very high | 101 Ų | 101 | 126.8 Ų | 126.8 | 52% | 0.518 | 64% | 0.638 | S | S | . | * | trans | -146.8 | 124.2 | 179.1 | -176.3 | 59.3 | 0 | 0 | 0 | 108 | ||||
| 34 | R | 93.4 | Very high | 94.1 | Very high | 142 Ų | 142 | 129.7 Ų | 129.7 | 54% | 0.536 | 65% | 0.648 | S | S | . | * | trans | -62.3 | 142.3 | 168.2 | -82.5 | 179.1 | 65.5 | -152.2 | 1.8 | 108.9 | Y32 E360 | Y32-R34 HydrophobicContact CE1-CG 4.04Å; R34-E360 IonicContact CZ-OE2 2.68Å; R34-E360 IonicContact NH1-OE2 2.66Å; R34-E360 PolarHBondContact NH1-OE2 2.63Å; R34-E360 PolarHBondContact NH2-O 2.77Å; R34-E360 IonicContact NH2-OE2 2.64Å; R34-E360 PolarHBondContact NH2-OE2 2.72Å | ||
| 35 | K | 95.1 | Very high | 94 | Very high | 169 Ų | 169 | 130.2 Ų | 130.2 | 74% | 0.735 | 64% | 0.635 | S | S | * | * | trans | -141.3 | 141.4 | 168.5 | -66.1 | -174 | 177.1 | -173.5 | 0 | 107.8 | ||||
| 36 | P | 92.4 | Very high | 93.8 | Very high | 94 Ų | 94 | 127.5 Ų | 127.5 | 61% | 0.61 | 64% | 0.637 | S | S | * | * | trans | -59.8 | 161.9 | 168.9 | 24.2 | -33.6 | 0 | 0 | 0 | 111.1 | D38 E360 | P36-D38 PolarHBondContact O-N 2.93Å; P36-D38 VanDerWaalsContact O-N 3.09Å; P36-E360 WeakPolarHBondContact CA-OXT 3.49Å; P36-E360 WeakPolarHBondContact CB-OXT 3.29Å | ||
| 37 | I | 91.9 | Very high | 93.6 | Very high | 110 Ų | 110 | 130.4 Ų | 130.4 | 56% | 0.564 | 65% | 0.646 | S | S | * | * | trans | -70.5 | 104.3 | 172.6 | -55.9 | 176.4 | 0 | 0 | 0 | 108.8 | Y39 | I37-Y39 HydrophobicContact CB-CE2 4.14Å; I37-Y39 HydrophobicContact CG2-CD1 4.05Å; I37-Y39 HydrophobicContact CG2-CD2 4.22Å; I37-Y39 HydrophobicContact CG2-CE1 3.65Å; I37-Y39 HydrophobicContact CG2-CE2 3.82Å; I37-Y39 HydrophobicContact CG2-CG 4.32Å; I37-Y39 PolarHBondContact O-N 2.9Å | ||
| 38 | D | 92.8 | Very high | 93 | Very high | 82 Ų | 82 | 123.1 Ų | 123.1 | 44% | 0.439 | 62% | 0.621 | S | S | . | * | trans | -87.1 | 96.7 | 173.7 | -176.9 | -4.3 | 0 | 0 | 0 | 110.3 | P36 T40 I41 | P36-D38 PolarHBondContact O-N 2.93Å; P36-D38 VanDerWaalsContact O-N 3.09Å; D38-T40 PolarHBondContact O-N 2.82Å; D38-T40 WeakPolarHBondContact OD1-CA 3.26Å; D38-T40 WeakPolarHBondContact OD1-CB 3.5Å; D38-T40 PolarHBondContact OD1-N 3.34Å; D38-T40 PolarHBondContact OD1-OG1 2.99Å; D38-I41 HydrophobicContact CB-CG2 3.78Å; D38-I41 VanDerWaalsContact CG-CG2 3.47Å; D38-I41 WeakPolarHBondContact O-CG1 3.41Å; D38-I41 WeakPolarHBondContact OD2-CG2 3.44Å | ||
| 39 | Y | 90.3 | Very high | 92.2 | Very high | 144 Ų | 144 | 118.9 Ų | 118.9 | 57% | 0.565 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -9.8 | 176.2 | -61.6 | -78.7 | 0 | 0 | 0 | 113.8 | I37 | I37-Y39 HydrophobicContact CB-CE2 4.14Å; I37-Y39 HydrophobicContact CG2-CD1 4.05Å; I37-Y39 HydrophobicContact CG2-CD2 4.22Å; I37-Y39 HydrophobicContact CG2-CE1 3.65Å; I37-Y39 HydrophobicContact CG2-CE2 3.82Å; I37-Y39 HydrophobicContact CG2-CG 4.32Å; I37-Y39 PolarHBondContact O-N 2.9Å |
| 40 | T | 92.4 | Very high | 91.8 | Very high | 83 Ų | 83 | 117.5 Ų | 117.5 | 51% | 0.509 | 60% | 0.597 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92 | -9.8 | -176.3 | 74.2 | 0 | 0 | 0 | 0 | 114.1 | D38 L42 D43 | D38-T40 PolarHBondContact O-N 2.82Å; D38-T40 WeakPolarHBondContact OD1-CA 3.26Å; D38-T40 WeakPolarHBondContact OD1-CB 3.5Å; D38-T40 PolarHBondContact OD1-N 3.34Å; D38-T40 PolarHBondContact OD1-OG1 2.99Å; T40-L42 PolarHBondContact O-N 2.99Å; T40-D43 WeakPolarHBondContact O-CB 3.15Å; T40-D43 PolarHBondContact O-N 2.89Å |
| 41 | I | 94.6 | Very high | 90.5 | Very high | 118 Ų | 118 | 119.6 Ų | 119.6 | 61% | 0.605 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -12.5 | -178.9 | 68.4 | -175.8 | 0 | 0 | 0 | 114.9 | D38 | D38-I41 HydrophobicContact CB-CG2 3.78Å; D38-I41 VanDerWaalsContact CG-CG2 3.47Å; D38-I41 WeakPolarHBondContact O-CG1 3.41Å; D38-I41 WeakPolarHBondContact OD2-CG2 3.44Å |
| 42 | L | 94.3 | Very high | 89 | Confident | 113 Ų | 113 | 116.1 Ų | 116.1 | 59% | 0.592 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.2 | -4.5 | 177.4 | -52.2 | -178.1 | 0 | 0 | 0 | 113.5 | T40 D44 I45 | T40-L42 PolarHBondContact O-N 2.99Å; L42-D44 VanDerWaalsContact C-N 3.3Å; L42-D44 PolarHBondContact O-N 2.97Å; L42-I45 HydrophobicContact CD2-CD1 3.83Å; L42-I45 WeakPolarHBondContact O-CB 3.11Å; L42-I45 PolarHBondContact O-N 2.8Å |
| 43 | D | 89.9 | Confident | 87.2 | Confident | 26 Ų | 26 | 112.5 Ų | 112.5 | 14% | 0.139 | 58% | 0.578 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -60.3 | -38.6 | -174.5 | -100 | 0.3 | 0 | 0 | 0 | 112.5 | T40 I45 G48 K50 | T40-D43 WeakPolarHBondContact O-CB 3.15Å; T40-D43 PolarHBondContact O-N 2.89Å; D43-I45 VanDerWaalsContact C-N 3.28Å; D43-I45 PolarHBondContact O-N 2.77Å; D43-G48 VanDerWaalsContact O-CA 3.24Å; D43-G48 WeakPolarHBondContact O-CA 3.49Å; D43-G48 PolarHBondContact O-N 3.01Å; D43-K50 WeakPolarHBondContact OD2-CE 3.4Å; D43-K50 WeakPolarHBondContact OD2-CG 2.99Å; D43-K50 IonicContact OD2-NZ 3.21Å; D43-K50 PolarHBondContact OD2-NZ 3.42Å |
| 44 | D | 92.6 | Very high | 85.4 | Confident | 152 Ų | 152 | 116.6 Ų | 116.6 | 81% | 0.813 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -0.4 | -178.9 | -60.7 | -31.7 | 0 | 0 | 0 | 112.7 | L42 G46 | L42-D44 VanDerWaalsContact C-N 3.3Å; L42-D44 PolarHBondContact O-N 2.97Å; D44-G46 PolarHBondContact O-N 2.75Å |
| 45 | I | 93.6 | Very high | 83.4 | Confident | 120 Ų | 120 | 115.3 Ų | 115.3 | 62% | 0.615 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | 90.4 | -179.1 | -54.5 | -173.8 | 0 | 0 | 0 | 109.9 | L42 D43 H47 | L42-I45 HydrophobicContact CD2-CD1 3.83Å; L42-I45 WeakPolarHBondContact O-CB 3.11Å; L42-I45 PolarHBondContact O-N 2.8Å; D43-I45 VanDerWaalsContact C-N 3.28Å; D43-I45 PolarHBondContact O-N 2.77Å; I45-H47 PolarHBondContact O-N 3.38Å |
| 46 | G | 92.4 | Very high | 81.1 | Confident | 69 Ų | 69 | 113.3 Ų | 113.3 | 71% | 0.711 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 85 | -93.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | D44 | D44-G46 PolarHBondContact O-N 2.75Š|
| 47 | H | 90.6 | Very high | 79.1 | Confident | 189 Ų | 189 | 113.4 Ų | 113.4 | 88% | 0.875 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.6 | 56.7 | -177.9 | -63.1 | 91.3 | 0 | 0 | 0 | 110.3 | I45 | I45-H47 PolarHBondContact O-N 3.38Š|
| 48 | G | 82.1 | Confident | 77 | Confident | 34 Ų | 34 | 112.9 Ų | 112.9 | 35% | 0.351 | 58% | 0.582 | S | S | . | * | trans | -64.6 | 157 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D43 | D43-G48 VanDerWaalsContact O-CA 3.24Å; D43-G48 WeakPolarHBondContact O-CA 3.49Å; D43-G48 PolarHBondContact O-N 3.01Å | ||
| 49 | V | 78.3 | Confident | 74.8 | Confident | 105 Ų | 105 | 114.4 Ų | 114.4 | 64% | 0.636 | 59% | 0.594 | S | S | * | * | trans | -119.3 | 86.8 | -169.8 | -176.5 | 0 | 0 | 0 | 0 | 109.8 | W51 | V49-W51 PolarHBondContact O-N 2.89Å; V49-W51 VanDerWaalsContact O-N 3.09Å | ||
| 50 | K | 86.4 | Confident | 72.7 | Confident | 107 Ų | 107 | 115.3 Ų | 115.3 | 47% | 0.465 | 60% | 0.604 | S | S | . | * | trans | -55.3 | 115.5 | -179.6 | -37 | -164.5 | 73.3 | 63.9 | 0 | 110.1 | D43 L52 L53 | D43-K50 WeakPolarHBondContact OD2-CE 3.4Å; D43-K50 WeakPolarHBondContact OD2-CG 2.99Å; D43-K50 IonicContact OD2-NZ 3.21Å; D43-K50 PolarHBondContact OD2-NZ 3.42Å; K50-L52 VanDerWaalsContact C-N 3.27Å; K50-L52 PolarHBondContact O-N 3.21Å; K50-L52 VanDerWaalsContact O-N 3.12Å; K50-L53 WeakPolarHBondContact O-CB 3.36Å; K50-L53 PolarHBondContact O-N 2.95Å | ||
| 51 | W | 70.2 | Confident | 70.4 | Confident | 178 Ų | 178 | 117.5 Ų | 117.5 | 67% | 0.674 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -46.1 | -47.6 | -173.8 | -179.3 | 96.5 | 0 | 0 | 0 | 113.2 | V49 L53 R54 F55 | V49-W51 PolarHBondContact O-N 2.89Å; V49-W51 VanDerWaalsContact O-N 3.09Å; W51-L53 PolarHBondContact O-N 3.42Å; W51-L53 VanDerWaalsContact O-N 3.14Å; W51-R54 VanDerWaalsContact O-CB 3.24Å; W51-R54 WeakPolarHBondContact O-CB 3.39Å; W51-R54 PolarHBondContact O-N 3.36Å; W51-F55 HydrophobicContact CD2-CD2 4Å; W51-F55 AromaticContact CD2-CE2 3.82Å; W51-F55 HydrophobicContact CD2-CE2 3.82Å; W51-F55 AromaticContact CE2-CD2 3.94Å; W51-F55 AromaticContact CE2-CE2 3.35Å; W51-F55 HydrophobicContact CE3-CD2 4.23Å; W51-F55 HydrophobicContact CE3-CE2 4.44Å; W51-F55 HydrophobicContact CG-CE2 4.26Å; W51-F55 HydrophobicContact CH2-CD2 4.32Å; W51-F55 HydrophobicContact CH2-CE2 4.24Å; W51-F55 HydrophobicContact CZ2-CD2 4.11Å; W51-F55 AromaticContact CZ2-CE2 3.59Å; W51-F55 HydrophobicContact CZ2-CE2 3.59Å; W51-F55 HydrophobicContact CZ2-CZ 4Å; W51-F55 HydrophobicContact CZ3-CD2 4.38Å; W51-F55 AromaticContact NE1-CE2 3.54Å; W51-F55 WeakPolarHBondContact O-CD2 3.45Å |
| 52 | L | 65.6 | Low | 68.1 | Low | 120 Ų | 120 | 120.8 Ų | 120.8 | 63% | 0.628 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -55.7 | -31.5 | 179.6 | -176.4 | 63.2 | 0 | 0 | 0 | 114.1 | K50 K56 | K50-L52 VanDerWaalsContact C-N 3.27Å; K50-L52 PolarHBondContact O-N 3.21Å; K50-L52 VanDerWaalsContact O-N 3.12Å; L52-K56 WeakPolarHBondContact O-CB 3.33Å; L52-K56 PolarHBondContact O-N 2.97Å; L52-K56 VanDerWaalsContact O-N 3.12Å |
| 53 | L | 58 | Low | 65.8 | Low | 107 Ų | 107 | 124.1 Ų | 124.1 | 56% | 0.56 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -74.2 | -31.9 | 179.5 | -169.5 | 61.3 | 0 | 0 | 0 | 111.6 | K50 W51 F55 K56 V57 | K50-L53 WeakPolarHBondContact O-CB 3.36Å; K50-L53 PolarHBondContact O-N 2.95Å; W51-L53 PolarHBondContact O-N 3.42Å; W51-L53 VanDerWaalsContact O-N 3.14Å; L53-F55 VanDerWaalsContact C-N 3.35Å; L53-F55 PolarHBondContact O-N 2.91Å; L53-K56 PolarHBondContact O-N 3.48Å; L53-V57 HydrophobicContact CD1-CG2 4.22Å; L53-V57 HydrophobicContact CG-CG2 4.31Å; L53-V57 WeakPolarHBondContact O-CB 3.33Å; L53-V57 WeakPolarHBondContact O-CG2 3.48Å; L53-V57 PolarHBondContact O-N 3.12Å |
| 54 | R | 55.8 | Low | 63.3 | Low | 186 Ų | 186 | 131.4 Ų | 131.4 | 70% | 0.702 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -60.3 | -44.3 | 177.1 | -150 | -172.3 | -136.7 | -151.4 | 8.8 | 111.2 | W51 S58 | W51-R54 VanDerWaalsContact O-CB 3.24Å; W51-R54 WeakPolarHBondContact O-CB 3.39Å; W51-R54 PolarHBondContact O-N 3.36Å; R54-S58 PolarHBondContact O-N 3.28Å |
| 55 | F | 52.1 | Low | 60.6 | Low | 115 Ų | 115 | 127.8 Ų | 127.8 | 50% | 0.504 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -75.2 | -38.5 | 177.1 | -68.6 | -89.1 | 0 | 0 | 0 | 112.6 | W51 L53 V57 S58 | W51-F55 HydrophobicContact CD2-CD2 4Å; W51-F55 AromaticContact CD2-CE2 3.82Å; W51-F55 HydrophobicContact CD2-CE2 3.82Å; W51-F55 AromaticContact CE2-CD2 3.94Å; W51-F55 AromaticContact CE2-CE2 3.35Å; W51-F55 HydrophobicContact CE3-CD2 4.23Å; W51-F55 HydrophobicContact CE3-CE2 4.44Å; W51-F55 HydrophobicContact CG-CE2 4.26Å; W51-F55 HydrophobicContact CH2-CD2 4.32Å; W51-F55 HydrophobicContact CH2-CE2 4.24Å; W51-F55 HydrophobicContact CZ2-CD2 4.11Å; W51-F55 AromaticContact CZ2-CE2 3.59Å; W51-F55 HydrophobicContact CZ2-CE2 3.59Å; W51-F55 HydrophobicContact CZ2-CZ 4Å; W51-F55 HydrophobicContact CZ3-CD2 4.38Å; W51-F55 AromaticContact NE1-CE2 3.54Å; W51-F55 WeakPolarHBondContact O-CD2 3.45Å; L53-F55 VanDerWaalsContact C-N 3.35Å; L53-F55 PolarHBondContact O-N 2.91Å; F55-V57 PolarHBondContact O-N 3.21Å; F55-S58 PolarHBondContact O-N 2.83Å |
| 56 | K | 47.4 | Very low | 58.4 | Low | 127 Ų | 127 | 125.8 Ų | 125.8 | 55% | 0.552 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -59.7 | -45.2 | 175.8 | -169.8 | 79.7 | 76.7 | 177.9 | 0 | 111.7 | L52 L53 S58 T59 | L52-K56 WeakPolarHBondContact O-CB 3.33Å; L52-K56 PolarHBondContact O-N 2.97Å; L52-K56 VanDerWaalsContact O-N 3.12Å; L53-K56 PolarHBondContact O-N 3.48Å; K56-S58 PolarHBondContact O-N 3.41Å; K56-T59 PolarHBondContact O-N 3.46Å; K56-T59 PolarHBondContact O-OG1 2.67Å |
| 57 | V | 48.8 | Very low | 56 | Low | 96 Ų | 96 | 130.3 Ų | 130.3 | 58% | 0.582 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -66.9 | -35.5 | -179.2 | 171.2 | 0 | 0 | 0 | 0 | 112.2 | L53 F55 T59 Q60 | L53-V57 HydrophobicContact CD1-CG2 4.22Å; L53-V57 HydrophobicContact CG-CG2 4.31Å; L53-V57 WeakPolarHBondContact O-CB 3.33Å; L53-V57 WeakPolarHBondContact O-CG2 3.48Å; L53-V57 PolarHBondContact O-N 3.12Å; F55-V57 PolarHBondContact O-N 3.21Å; V57-T59 VanDerWaalsContact C-N 3.26Å; V57-T59 PolarHBondContact O-N 2.7Å; V57-Q60 PolarHBondContact O-N 2.77Å |
| 58 | S | 48.2 | Very low | 53.8 | Low | 100 Ų | 100 | 126.9 Ų | 126.9 | 70% | 0.699 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -60.5 | -33.4 | 178.9 | -161 | 0 | 0 | 0 | 0 | 113.2 | R54 F55 K56 Q60 | R54-S58 PolarHBondContact O-N 3.28Å; F55-S58 PolarHBondContact O-N 2.83Å; K56-S58 PolarHBondContact O-N 3.41Å; S58-Q60 VanDerWaalsContact C-N 3.35Å; S58-Q60 PolarHBondContact O-N 2.83Å |
| 59 | T | 47.6 | Very low | 51.7 | Low | 113 Ų | 113 | 135.4 Ų | 135.4 | 69% | 0.693 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -4.4 | -178.8 | 57.1 | 0 | 0 | 0 | 0 | 114.7 | K56 V57 | K56-T59 PolarHBondContact O-N 3.46Å; K56-T59 PolarHBondContact O-OG1 2.67Å; V57-T59 VanDerWaalsContact C-N 3.26Å; V57-T59 PolarHBondContact O-N 2.7Å |
| 60 | Q | 46.8 | Very low | 49.9 | Very low | 164 Ų | 164 | 136.9 Ų | 136.9 | 77% | 0.766 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123 | 46.3 | -177.5 | -66.8 | -161.3 | -14.5 | 0 | 0 | 114.1 | V57 S58 | V57-Q60 PolarHBondContact O-N 2.77Å; S58-Q60 VanDerWaalsContact C-N 3.35Å; S58-Q60 PolarHBondContact O-N 2.83Å |
| 61 | N | 44.2 | Very low | 47.8 | Very low | 129 Ų | 129 | 135.6 Ų | 135.6 | 69% | 0.69 | 71% | 0.713 | S | S | * | * | trans | -139.9 | 70.4 | 168 | -160.7 | -2.7 | 0 | 0 | 0 | 114.1 | ||||
| 62 | M | 45.9 | Very low | 46.4 | Very low | 186 Ų | 186 | 131.7 Ų | 131.7 | 92% | 0.916 | 71% | 0.711 | S | S | * | * | trans | -121.1 | 29 | 177.6 | -94.9 | -72.7 | 163.1 | 0 | 0 | 113.8 | ||||
| 63 | K | 44.3 | Very low | 45.3 | Very low | 183 Ų | 183 | 131.6 Ų | 131.6 | 80% | 0.796 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -157.4 | 127.8 | 168.3 | -144 | 73.5 | 176.2 | -176.9 | 0 | 115.8 | ||
| 64 | M | 38.2 | Very low | 45 | Very low | 179 Ų | 179 | 132.1 Ų | 132.1 | 88% | 0.882 | 73% | 0.725 | S | S | * | * | trans | 72.9 | 139.8 | 155.8 | -158.4 | 68.8 | 95.1 | 0 | 0 | 118.5 | ||||
| 65 | G | 36 | Very low | 45.1 | Very low | 77 Ų | 77 | 131.1 Ų | 131.1 | 79% | 0.794 | 73% | 0.729 | S | S | * | * | trans | 97.3 | 119.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 66 | G | 47.6 | Very low | 45.7 | Very low | 77 Ų | 77 | 131.2 Ų | 131.2 | 79% | 0.794 | 73% | 0.729 | S | S | * | * | trans | -103 | 135.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 67 | L | 41 | Very low | 46.9 | Very low | 164 Ų | 164 | 126.1 Ų | 126.1 | 86% | 0.859 | 71% | 0.708 | S | S | * | * | trans | -135.3 | 156.7 | 156.6 | -80.2 | 175.5 | 0 | 0 | 0 | 107.7 | R69 | L67-R69 PolarHBondContact O-N 3.06Š| ||
| 68 | P | 45.7 | Very low | 48.1 | Very low | 117 Ų | 117 | 126.8 Ų | 126.8 | 76% | 0.76 | 72% | 0.715 | S | S | * | * | trans | -64.1 | 127.8 | -175.8 | 25.3 | -33.9 | 0 | 0 | 0 | 111.3 | T70 | P68-T70 PolarHBondContact O-N 2.79Š| ||
| 69 | R | 38 | Very low | 49.4 | Very low | 214 Ų | 214 | 126.2 Ų | 126.2 | 81% | 0.808 | 71% | 0.711 | S | S | * | * | trans | -58.8 | 102.8 | 171.5 | -81.5 | 164 | 51.7 | -155.3 | -2.9 | 110.2 | L67 T71 | L67-R69 PolarHBondContact O-N 3.06Å; R69-T71 PolarHBondContact O-N 3.41Å; R69-T71 VanDerWaalsContact O-N 3.16Å | ||
| 70 | T | 40.2 | Very low | 50.6 | Low | 135 Ų | 135 | 121.7 Ų | 121.7 | 83% | 0.828 | 68% | 0.683 | S | S | * | * | trans | -64.1 | 105.6 | 140.9 | 53 | 0 | 0 | 0 | 0 | 106.1 | P68 | P68-T70 PolarHBondContact O-N 2.79Š| ||
| 71 | T | 42.4 | Very low | 51.6 | Low | 80 Ų | 80 | 118.4 Ų | 118.4 | 49% | 0.491 | 68% | 0.676 | S | S | . | * | trans | -56.4 | 139.3 | 167 | 42.5 | 0 | 0 | 0 | 0 | 108.2 | R69 | R69-T71 PolarHBondContact O-N 3.41Å; R69-T71 VanDerWaalsContact O-N 3.16Å | ||
| 72 | P | 41.5 | Very low | 52.8 | Low | 97 Ų | 97 | 117 Ų | 117 | 63% | 0.63 | 67% | 0.667 | S | S | * | * | trans | -54.7 | 155.3 | 162.2 | 28.2 | -34.7 | 0 | 0 | 0 | 108.4 | T74 | P72-T74 VanDerWaalsContact C-N 3.32Å; P72-T74 WeakPolarHBondContact O-CG2 3.45Å; P72-T74 PolarHBondContact O-N 2.86Å | ||
| 73 | P | 41.3 | Very low | 53.5 | Low | 118 Ų | 118 | 112.4 Ų | 112.4 | 77% | 0.766 | 65% | 0.653 | S | S | * | * | trans | -65.6 | 93.3 | 179.7 | 27.2 | -33.9 | 0 | 0 | 0 | 109.6 | Q75 | P73-Q75 PolarHBondContact O-N 2.97Š| ||
| 74 | T | 51.9 | Low | 54 | Low | 117 Ų | 117 | 107.1 Ų | 107.1 | 72% | 0.718 | 65% | 0.65 | S | S | * | * | trans | -74.8 | 40.8 | 178.2 | 60.7 | 0 | 0 | 0 | 0 | 111.5 | P72 K76 | P72-T74 VanDerWaalsContact C-N 3.32Å; P72-T74 WeakPolarHBondContact O-CG2 3.45Å; P72-T74 PolarHBondContact O-N 2.86Å; T74-K76 PolarHBondContact O-N 3.38Å | ||
| 75 | Q | 58.5 | Low | 54.5 | Low | 166 Ų | 166 | 108.3 Ų | 108.3 | 78% | 0.776 | 65% | 0.651 | S | S | * | * | trans | -79.1 | 74.8 | 172 | -65.3 | -170 | 5.9 | 0 | 0 | 107.6 | P73 | P73-Q75 PolarHBondContact O-N 2.97Š| ||
| 76 | K | 64.8 | Low | 55 | Low | 117 Ų | 117 | 108.2 Ų | 108.2 | 51% | 0.509 | 65% | 0.65 | S | S | . | * | trans | -40.7 | 122.6 | 162.4 | -164.3 | -161.7 | -179.4 | -174.5 | 0 | 106.6 | T74 Y351 | T74-K76 PolarHBondContact O-N 3.38Å; K76-Y351 HydrophobicContact CD-CE1 4.07Å; K76-Y351 WeakPolarHBondContact CD-OH 3.5Å; K76-Y351 WeakPolarHBondContact CE-OH 3.24Å; K76-Y351 HydrophobicContact CG-CE1 3.69Å; K76-Y351 VanDerWaalsContact CG-OH 3.3Å; K76-Y351 WeakPolarHBondContact CG-OH 3.33Å | ||
| 77 | P | 71.1 | Confident | 54.7 | Low | 19 Ų | 19 | 111.2 Ų | 111.2 | 12% | 0.123 | 65% | 0.653 | C | S | . | * | P | Polyproline II helix | trans | -63 | 145.4 | -165 | 26.7 | -35.9 | 0 | 0 | 0 | 109.9 | S79 Y307 N350 Y351 | P77-S79 PolarHBondContact O-N 2.89Å; P77-S79 VanDerWaalsContact O-N 3.16Å; P77-Y307 HydrophobicContact CB-CE2 4.39Å; P77-Y307 HydrophobicContact CG-CD2 3.55Å; P77-Y307 HydrophobicContact CG-CE2 3.52Å; P77-Y307 HydrophobicContact CG-CG 4.49Å; P77-N350 WeakPolarHBondContact CG-O 3.49Å; P77-Y351 HydrophobicContact CG-CD2 4.05Å; P77-Y351 HydrophobicContact CG-CE1 4.32Å; P77-Y351 HydrophobicContact CG-CE2 3.8Å; P77-Y351 HydrophobicContact CG-CG 4.43Å; P77-Y351 PolarHBondContact O-OH 2.95Å |
| 78 | P | 74.6 | Confident | 54.9 | Low | 111 Ų | 111 | 111.3 Ų | 111.3 | 72% | 0.721 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 124.4 | -170.5 | 23.2 | -33.9 | 0 | 0 | 0 | 109.8 | N350 | P78-N350 PolarHBondContact O-ND2 3.31Š|
| 79 | S | 75.4 | Confident | 54.6 | Low | 88 Ų | 88 | 109.6 Ų | 109.6 | 62% | 0.615 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 134.9 | -177.3 | -56 | 0 | 0 | 0 | 0 | 110.4 | P77 | P77-S79 PolarHBondContact O-N 2.89Å; P77-S79 VanDerWaalsContact O-N 3.16Å |
| 80 | P | 72.3 | Confident | 54.7 | Low | 17 Ų | 17 | 105.1 Ų | 105.1 | 11% | 0.11 | 66% | 0.658 | C | S | . | * | P | Polyproline II helix | trans | -63 | 152.2 | 178.3 | 25.5 | -30.4 | 0 | 0 | 0 | 110.1 | M82 W335 P348 N350 | P80-M82 PolarHBondContact O-N 2.88Å; P80-M82 VanDerWaalsContact O-N 3.14Å; P80-W335 HydrophobicContact CG-CD2 4.42Å; P80-W335 HydrophobicContact CG-CZ2 4.37Å; P80-P348 HydrophobicContact CG-CB 3.37Å; P80-N350 WeakPolarHBondContact CD-OD1 3.47Å |
| 81 | P | 69.4 | Low | 54.7 | Low | 95 Ų | 95 | 104.7 Ų | 104.7 | 62% | 0.617 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 121.5 | -179.1 | 26.2 | -34.2 | 0 | 0 | 0 | 109.8 | S83 D333 W335 | P81-S83 PolarHBondContact O-N 2.96Å; P81-D333 WeakPolarHBondContact CD-O 3.44Å; P81-W335 PolarHBondContact O-NE1 3.36Å |
| 82 | M | 69.6 | Low | 54.3 | Low | 99 Ų | 99 | 104.6 Ų | 104.6 | 49% | 0.488 | 68% | 0.676 | S | S | . | * | P | Polyproline II helix | trans | -66.7 | 131.4 | 167.7 | -75.5 | -170.7 | 161.5 | 0 | 0 | 109.1 | P80 G84 E316 W335 | P80-M82 PolarHBondContact O-N 2.88Å; P80-M82 VanDerWaalsContact O-N 3.14Å; M82-G84 PolarHBondContact O-N 3.35Å; M82-E316 VanDerWaalsContact CE-OE1 3.29Å; M82-E316 WeakPolarHBondContact CE-OE1 3Å; M82-W335 HydrophobicContact CE-CH2 3.79Å; M82-W335 HydrophobicContact CE-CZ2 3.73Å; M82-W335 HydrophobicContact CG-CZ2 3.76Å |
| 83 | S | 59.7 | Low | 54.2 | Low | 91 Ų | 91 | 105.3 Ų | 105.3 | 64% | 0.636 | 68% | 0.683 | S | S | * | * | trans | -64.1 | 79.7 | 172.7 | -80.2 | 0 | 0 | 0 | 0 | 112 | P81 K85 D333 | P81-S83 PolarHBondContact O-N 2.96Å; S83-K85 PolarHBondContact O-N 2.82Å; S83-D333 WeakPolarHBondContact CB-OD2 3.29Å; S83-D333 WeakPolarHBondContact OG-CB 3.31Å; S83-D333 PolarHBondContact OG-OD2 2.94Å | ||
| 84 | G | 54.8 | Low | 54.3 | Low | 71 Ų | 71 | 105.4 Ų | 105.4 | 73% | 0.732 | 69% | 0.686 | S | S | * | * | trans | -67.4 | 92.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | M82 G86 | M82-G84 PolarHBondContact O-N 3.35Å; G84-G86 PolarHBondContact O-N 2.83Å; G84-G86 VanDerWaalsContact O-N 3.13Å | ||
| 85 | K | 49.8 | Very low | 53.6 | Low | 205 Ų | 205 | 103.7 Ų | 103.7 | 89% | 0.891 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 116.2 | 172.3 | -164.9 | 166 | -176.2 | 171.2 | 0 | 109.2 | S83 | S83-K85 PolarHBondContact O-N 2.82Š|
| 86 | G | 46.1 | Very low | 52.3 | Low | 75 Ų | 75 | 99.3 Ų | 99.3 | 77% | 0.773 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 130.3 | -150 | 0 | 0 | 0 | 0 | 0 | 116.8 | G84 | G84-G86 PolarHBondContact O-N 2.83Å; G84-G86 VanDerWaalsContact O-N 3.13Å |
| 87 | T | 41 | Very low | 51 | Low | 139 Ų | 139 | 99.5 Ų | 99.5 | 85% | 0.853 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 122.2 | 172.3 | -49.6 | 0 | 0 | 0 | 0 | 110.6 | G89 | T87-G89 PolarHBondContact O-N 3.05Š|
| 88 | L | 44.2 | Very low | 49.3 | Very low | 167 Ų | 167 | 107.3 Ų | 107.3 | 87% | 0.874 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 131.6 | 168.1 | -78.7 | 159.8 | 0 | 0 | 0 | 110.3 | ||
| 89 | G | 40.2 | Very low | 48.7 | Very low | 80 Ų | 80 | 107.7 Ų | 107.7 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 137.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | T87 | T87-G89 PolarHBondContact O-N 3.05Š|
| 90 | S | 39.8 | Very low | 46.7 | Very low | 121 Ų | 121 | 109 Ų | 109 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | trans | -145.2 | 120.8 | 161.9 | -170.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 91 | S | 39.9 | Very low | 45.2 | Very low | 126 Ų | 126 | 113.3 Ų | 113.3 | 88% | 0.881 | 78% | 0.784 | S | S | * | * | trans | -86 | 124.3 | -176.2 | -57.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 92 | G | 34.2 | Very low | 43.7 | Very low | 78 Ų | 78 | 119.5 Ų | 119.5 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -131 | 121.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 93 | S | 40.1 | Very low | 42.2 | Very low | 111 Ų | 111 | 120.3 Ų | 120.3 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -92.6 | 148.2 | -167.5 | -54.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 94 | S | 44.1 | Very low | 41.2 | Very low | 120 Ų | 120 | 121.6 Ų | 121.6 | 84% | 0.839 | 82% | 0.82 | S | S | * | * | trans | 41.8 | 125.8 | 138.7 | 64.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 95 | G | 35.4 | Very low | 40.5 | Very low | 81 Ų | 81 | 123.5 Ų | 123.5 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | trans | -176 | 97.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 96 | G | 32.8 | Very low | 40.1 | Very low | 74 Ų | 74 | 123.9 Ų | 123.9 | 76% | 0.763 | 82% | 0.817 | S | S | * | * | trans | -73.6 | -178.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 97 | S | 36.1 | Very low | 39.8 | Very low | 122 Ų | 122 | 128 Ų | 128 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | 103.7 | 138.1 | 147.6 | -58.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 98 | H | 35.4 | Very low | 39.6 | Very low | 182 Ų | 182 | 128.6 Ų | 128.6 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | -95.6 | -166 | -174.3 | -46.5 | -111.8 | 0 | 0 | 0 | 111 | ||||
| 99 | P | 62.8 | Low | 39.6 | Very low | 119 Ų | 119 | 126 Ų | 126 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | -133.2 | 165.3 | -72.3 | 38.7 | -22.1 | 0 | 0 | 0 | 114.4 | |||||
| 100 | S | 32.6 | Very low | 39.3 | Very low | 116 Ų | 116 | 125.7 Ų | 125.7 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | trans | -172 | 153.9 | 162.2 | -94.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 101 | S | 40.9 | Very low | 39.5 | Very low | 107 Ų | 107 | 126 Ų | 126 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | cis | -154.5 | 175.1 | -1.3 | -121.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 102 | R | 38.6 | Very low | 39.2 | Very low | 226 Ų | 226 | 123.7 Ų | 123.7 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | -43.9 | 134.1 | 178.7 | -62.3 | 148.2 | 79.5 | -174.9 | 7.6 | 113.3 | ||||
| 103 | S | 37.3 | Very low | 39.9 | Very low | 115 Ų | 115 | 126.1 Ų | 126.1 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | 73.1 | 105.7 | 62.9 | -53.2 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 104 | S | 39 | Very low | 39.9 | Very low | 119 Ų | 119 | 128 Ų | 128 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | trans | -173.7 | 141.7 | 142.2 | 50.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 105 | S | 41 | Very low | 39.6 | Very low | 110 Ų | 110 | 125.7 Ų | 125.7 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | 55.4 | 138 | 148 | -119.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 106 | R | 41.3 | Very low | 40 | Very low | 213 Ų | 213 | 128.4 Ų | 128.4 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | cis | 57.2 | 128.3 | 40.8 | -67.4 | -168 | -178.3 | -160.1 | 2.6 | 113.3 | ||||
| 107 | E | 38.8 | Very low | 40.7 | Very low | 161 Ų | 161 | 130.6 Ų | 130.6 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | cis | -171.6 | -174.9 | 7.5 | 48.6 | -167.6 | 55.3 | 0 | 0 | 110.3 | ||||
| 108 | N | 36.5 | Very low | 41 | Very low | 153 Ų | 153 | 132.5 Ų | 132.5 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | 89 | 141.9 | 162.6 | -159.5 | 32.7 | 0 | 0 | 0 | 120 | ||||
| 109 | S | 43.7 | Very low | 41.1 | Very low | 111 Ų | 111 | 128.4 Ų | 128.4 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | -93.9 | 167.4 | -174.4 | -48.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 110 | G | 35.1 | Very low | 40.1 | Very low | 75 Ų | 75 | 128.9 Ų | 128.9 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | -176.9 | 85.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 111 | S | 42.9 | Very low | 41 | Very low | 127 Ų | 127 | 128.9 Ų | 128.9 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | trans | 3.9 | 123.8 | 160.5 | -55 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 112 | G | 34 | Very low | 41.5 | Very low | 78 Ų | 78 | 129.9 Ų | 129.9 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | 89.5 | 104.9 | 102.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 113 | S | 48.7 | Very low | 42.6 | Very low | 128 Ų | 128 | 125.1 Ų | 125.1 | 90% | 0.895 | 81% | 0.807 | S | S | * | * | trans | -138.1 | 137.6 | 156.7 | -72.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 114 | V | 39.9 | Very low | 43.3 | Very low | 150 Ų | 150 | 124.8 Ų | 124.8 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | trans | -91.7 | 133.9 | 179.6 | 176.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 115 | G | 39.8 | Very low | 44 | Very low | 73 Ų | 73 | 124.2 Ų | 124.2 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | -147.4 | 126.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 116 | V | 43.8 | Very low | 44.8 | Very low | 138 Ų | 138 | 125.1 Ų | 125.1 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 167.6 | 175.7 | -108.9 | 0 | 0 | 0 | 0 | 110 | ||
| 117 | P | 46.3 | Very low | 45.1 | Very low | 120 Ų | 120 | 119.7 Ų | 119.7 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -91 | 148.1 | -132.5 | 35.4 | -37.5 | 0 | 0 | 0 | 114.6 | ||
| 118 | I | 42.3 | Very low | 45.3 | Very low | 162 Ų | 162 | 118 Ų | 118 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 118.3 | 162.7 | -63.5 | 179.1 | 0 | 0 | 0 | 108 | ||
| 119 | A | 37.8 | Very low | 45.6 | Very low | 95 Ų | 95 | 119.9 Ų | 119.9 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 138.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 120 | V | 42.8 | Very low | 46.2 | Very low | 129 Ų | 129 | 120.3 Ų | 120.3 | 78% | 0.782 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 128 | 170.5 | -177.6 | 0 | 0 | 0 | 0 | 108 | ||
| 121 | P | 51 | Low | 46.3 | Very low | 117 Ų | 117 | 121 Ų | 121 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 139.3 | -175.4 | 28.9 | -34.6 | 0 | 0 | 0 | 112.4 | ||
| 122 | T | 50.7 | Low | 46.9 | Very low | 127 Ų | 127 | 120.7 Ų | 120.7 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 127 | 172.4 | 47.6 | 0 | 0 | 0 | 0 | 111.6 | ||
| 123 | P | 61.2 | Low | 47 | Very low | 127 Ų | 127 | 122.1 Ų | 122.1 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 129.5 | 163.4 | 30.8 | -31.4 | 0 | 0 | 0 | 110.6 | ||
| 124 | S | 54 | Low | 46.3 | Very low | 108 Ų | 108 | 119.8 Ų | 119.8 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -82 | 153.9 | 178 | -61.4 | 0 | 0 | 0 | 0 | 112.6 | ||
| 125 | P | 51.9 | Low | 46.2 | Very low | 106 Ų | 106 | 118.5 Ų | 118.5 | 69% | 0.688 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 153.2 | 179.9 | 32.4 | -36.2 | 0 | 0 | 0 | 113.1 | ||
| 126 | P | 58.7 | Low | 46.1 | Very low | 129 Ų | 129 | 120.2 Ų | 120.2 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 155.6 | 162.2 | 31.3 | -34.1 | 0 | 0 | 0 | 111 | ||
| 127 | S | 48.3 | Very low | 45.7 | Very low | 100 Ų | 100 | 117.3 Ų | 117.3 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | trans | -147.5 | 179.3 | -177.4 | -70.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 128 | V | 41.3 | Very low | 45.4 | Very low | 124 Ų | 124 | 118.3 Ų | 118.3 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | 82.3 | 105.8 | 176.3 | -168.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 129 | F | 44.4 | Very low | 46.2 | Very low | 193 Ų | 193 | 116.2 Ų | 116.2 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | 71.8 | 154.1 | 62.7 | -69.8 | -60.1 | 0 | 0 | 0 | 114.2 | |||||
| 130 | P | 55.8 | Low | 47.2 | Very low | 121 Ų | 121 | 117.3 Ų | 117.3 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | cis | -132.4 | -166.6 | -35.1 | 38.4 | -20 | 0 | 0 | 0 | 113 | ||||
| 131 | A | 37.1 | Very low | 47.3 | Very low | 89 Ų | 89 | 118.9 Ų | 118.9 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | -79.4 | -178.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 132 | P | 54.4 | Low | 47.4 | Very low | 121 Ų | 121 | 119.1 Ų | 119.1 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | cis | -154.9 | -178.5 | 44.2 | 44.9 | -22.8 | 0 | 0 | 0 | 120.2 | ||||
| 133 | A | 36.5 | Very low | 46.7 | Very low | 108 Ų | 108 | 116.9 Ų | 116.9 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | trans | 69.8 | 142.5 | 146.7 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 134 | G | 33.9 | Very low | 45.6 | Very low | 79 Ų | 79 | 117.1 Ų | 117.1 | 81% | 0.814 | 79% | 0.793 | S | S | * | * | trans | 163 | 127.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 135 | S | 38.5 | Very low | 44.8 | Very low | 122 Ų | 122 | 117.7 Ų | 117.7 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -101.3 | 157.7 | -163.9 | -53.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 136 | A | 38 | Very low | 44.2 | Very low | 110 Ų | 110 | 117 Ų | 117 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | 75 | 139.3 | 142.9 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 137 | G | 34.4 | Very low | 43.2 | Very low | 77 Ų | 77 | 116.7 Ų | 116.7 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | 171.5 | 108.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 138 | T | 40.4 | Very low | 43 | Very low | 140 Ų | 140 | 118.3 Ų | 118.3 | 86% | 0.859 | 81% | 0.807 | S | S | * | * | trans | -127.4 | 173.1 | 165.5 | 53.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 139 | P | 58.9 | Low | 43.5 | Very low | 119 Ų | 119 | 118.3 Ų | 118.3 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | cis | -119.9 | -139.5 | -14.8 | 36.9 | -15.1 | 0 | 0 | 0 | 108.6 | ||||
| 140 | P | 60 | Low | 43.5 | Very low | 117 Ų | 117 | 115.2 Ų | 115.2 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | cis | -134.1 | -176.8 | -16.3 | 42 | -23.5 | 0 | 0 | 0 | 116.5 | ||||
| 141 | L | 43.3 | Very low | 43.1 | Very low | 163 Ų | 163 | 115.5 Ų | 115.5 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | -79.8 | 163.3 | 162.6 | -66.4 | 165.5 | 0 | 0 | 0 | 111.4 | ||||
| 142 | P | 53.4 | Low | 43.3 | Very low | 121 Ų | 121 | 119.6 Ų | 119.6 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | -155.8 | 156.6 | 95.7 | 40.8 | -22.2 | 0 | 0 | 0 | 119.1 | |||||
| 143 | A | 37 | Very low | 43.1 | Very low | 81 Ų | 81 | 120.1 Ų | 120.1 | 67% | 0.669 | 82% | 0.818 | S | S | * | * | trans | 72.9 | 111.9 | 133.6 | 0 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 144 | T | 37.3 | Very low | 43.6 | Very low | 131 Ų | 131 | 121.2 Ų | 121.2 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | 84.2 | 141.9 | 120.7 | 59.5 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 145 | S | 37.2 | Very low | 43.7 | Very low | 120 Ų | 120 | 122.4 Ų | 122.4 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | trans | 98.5 | 110 | 143.9 | -65.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 146 | A | 39.2 | Very low | 43.5 | Very low | 93 Ų | 93 | 122.9 Ų | 122.9 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | -73.6 | 164.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 147 | S | 37.8 | Very low | 43.7 | Very low | 122 Ų | 122 | 123.3 Ų | 123.3 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -160 | 146.7 | 140.7 | -80.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 148 | V | 44.5 | Very low | 44.3 | Very low | 134 Ų | 134 | 125.7 Ų | 125.7 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | trans | -111.6 | 143.1 | -178.7 | 177.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 149 | P | 50.4 | Low | 44 | Very low | 124 Ų | 124 | 124.4 Ų | 124.4 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | trans | -112.1 | 131.5 | 159.9 | 34.9 | -24.8 | 0 | 0 | 0 | 112.5 | ||||
| 150 | T | 45.9 | Very low | 43 | Very low | 127 Ų | 127 | 124 Ų | 124 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 158.3 | 170.8 | 38.7 | 0 | 0 | 0 | 0 | 112.1 | ||
| 151 | P | 47.6 | Very low | 41.8 | Very low | 127 Ų | 127 | 124.4 Ų | 124.4 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 155.5 | -175.5 | 30.4 | -36.2 | 0 | 0 | 0 | 114.1 | ||
| 152 | L | 40.7 | Very low | 41.5 | Very low | 176 Ų | 176 | 120.6 Ų | 120.6 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 146.1 | 179.3 | -81.4 | 161.4 | 0 | 0 | 0 | 113 | ||
| 153 | V | 50 | Low | 41.4 | Very low | 132 Ų | 132 | 121.3 Ų | 121.3 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 152.6 | 173.6 | -70.7 | 0 | 0 | 0 | 0 | 112.2 | ||
| 154 | P | 46.1 | Very low | 41.3 | Very low | 130 Ų | 130 | 124.9 Ų | 124.9 | 84% | 0.844 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 155.7 | -177.9 | 30.9 | -35.9 | 0 | 0 | 0 | 113.6 | ||
| 155 | A | 37 | Very low | 41.1 | Very low | 104 Ų | 104 | 122.1 Ų | 122.1 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -96 | 161.8 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 156 | T | 35.2 | Very low | 40.9 | Very low | 133 Ų | 133 | 121.3 Ų | 121.3 | 82% | 0.816 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 154.3 | -169.6 | -44 | 0 | 0 | 0 | 0 | 115.1 | ||
| 157 | V | 41.4 | Very low | 40.6 | Very low | 119 Ų | 119 | 122.1 Ų | 122.1 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 158 | 166.9 | -64.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 158 | P | 46 | Very low | 40.3 | Very low | 126 Ų | 126 | 120.4 Ų | 120.4 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -115.2 | 155.6 | 147.4 | 36.4 | -28.5 | 0 | 0 | 0 | 112.4 | ||||
| 159 | S | 35.8 | Very low | 39.5 | Very low | 113 Ų | 113 | 118 Ų | 118 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | -125.8 | 179.3 | 177.4 | -71.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 160 | S | 37 | Very low | 38.7 | Very low | 110 Ų | 110 | 116.4 Ų | 116.4 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | 84.9 | 145.6 | 177.3 | -146.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 161 | T | 34.8 | Very low | 38.1 | Very low | 127 Ų | 127 | 119.7 Ų | 119.7 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | cis | -145.1 | 151.8 | 12.5 | -36.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 162 | A | 37.3 | Very low | 37.4 | Very low | 82 Ų | 82 | 118.7 Ų | 118.7 | 68% | 0.678 | 81% | 0.811 | S | S | * | * | trans | -83.4 | 169.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 163 | P | 51.6 | Low | 37.2 | Very low | 136 Ų | 136 | 118.2 Ų | 118.2 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | -133.5 | -165.3 | 116.3 | 38.9 | -29.9 | 0 | 0 | 0 | 113.2 | |||||
| 164 | D | 33.6 | Very low | 36.5 | Very low | 157 Ų | 157 | 116.1 Ų | 116.1 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | trans | -129.5 | 165.4 | -139.8 | -171.8 | 31 | 0 | 0 | 0 | 116.1 | ||||
| 165 | A | 34.9 | Very low | 35.9 | Very low | 72 Ų | 72 | 118.3 Ų | 118.3 | 60% | 0.595 | 81% | 0.81 | S | S | * | * | trans | 56.5 | 107.9 | 152.6 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 166 | A | 32.3 | Very low | 35.7 | Very low | 104 Ų | 104 | 116.7 Ų | 116.7 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | 68.6 | 116.4 | 118.1 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 167 | A | 32.9 | Very low | 35.6 | Very low | 109 Ų | 109 | 120.1 Ų | 120.1 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | trans | -151.3 | 149.6 | 133.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 168 | G | 31.1 | Very low | 35.4 | Very low | 86 Ų | 86 | 119.8 Ų | 119.8 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | trans | -110.3 | 145.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 169 | G | 28.7 | Very low | 34.9 | Very low | 83 Ų | 83 | 119.1 Ų | 119.1 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | -164.7 | 159.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 170 | A | 33.8 | Very low | 35.5 | Very low | 92 Ų | 92 | 119.2 Ų | 119.2 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | trans | -135.5 | 160.9 | -164.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 171 | Q | 32.5 | Very low | 35.7 | Very low | 195 Ų | 195 | 120.4 Ų | 120.4 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | trans | 71.7 | 159.9 | 173.5 | -47 | -170.2 | -9.1 | 0 | 0 | 114.4 | ||||
| 172 | S | 32.5 | Very low | 36 | Very low | 107 Ų | 107 | 119.3 Ų | 119.3 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | cis | -139.9 | 175 | 5.6 | 62 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 173 | L | 36.2 | Very low | 36.5 | Very low | 165 Ų | 165 | 121.6 Ų | 121.6 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -69.7 | 140.2 | 167.8 | -71.5 | 72.8 | 0 | 0 | 0 | 110.7 | ||||
| 174 | A | 35.3 | Very low | 35.9 | Very low | 88 Ų | 88 | 121.8 Ų | 121.8 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | 174.3 | 133.4 | 115.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 175 | D | 34.3 | Very low | 35.9 | Very low | 177 Ų | 177 | 122.2 Ų | 122.2 | 95% | 0.947 | 81% | 0.807 | S | S | * | * | -178.3 | 155.3 | 127.9 | -100.8 | -28.7 | 0 | 0 | 0 | 110 | |||||
| 176 | G | 33.5 | Very low | 35.9 | Very low | 70 Ų | 70 | 123.5 Ų | 123.5 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | trans | -148.2 | 143.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 177 | F | 32.6 | Very low | 35.9 | Very low | 204 Ų | 204 | 124.1 Ų | 124.1 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | trans | -140.5 | 155.5 | 167 | -153.7 | -99.7 | 0 | 0 | 0 | 111.8 | ||||
| 178 | T | 37.2 | Very low | 36.3 | Very low | 113 Ų | 113 | 126.5 Ų | 126.5 | 69% | 0.693 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 153.1 | -165.9 | 38.1 | 0 | 0 | 0 | 0 | 113.8 | ||
| 179 | S | 35.5 | Very low | 36.7 | Very low | 111 Ų | 111 | 128.1 Ų | 128.1 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 140.8 | 173.1 | -172.9 | 0 | 0 | 0 | 0 | 111.5 | ||
| 180 | P | 47.8 | Very low | 37.5 | Very low | 116 Ų | 116 | 129.6 Ų | 129.6 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 142.7 | 176.6 | 34.5 | -33.5 | 0 | 0 | 0 | 113.6 | ||
| 181 | T | 42.1 | Very low | 38 | Very low | 134 Ų | 134 | 132 Ų | 132 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 140.2 | -177.8 | -47.5 | 0 | 0 | 0 | 0 | 112.2 | ||
| 182 | P | 39.9 | Very low | 38.3 | Very low | 105 Ų | 105 | 125.8 Ų | 125.8 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 152.9 | 168.7 | 33.5 | -33.6 | 0 | 0 | 0 | 112.8 | ||
| 183 | P | 48.6 | Very low | 38.8 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 84% | 0.844 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 167.8 | -166.2 | 34.8 | -37.8 | 0 | 0 | 0 | 115.6 | ||
| 184 | V | 38.2 | Very low | 39.3 | Very low | 139 Ų | 139 | 126.8 Ų | 126.8 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | trans | -129.2 | 123.7 | 179.8 | 176.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 185 | I | 33.8 | Very low | 39.7 | Very low | 167 Ų | 167 | 129 Ų | 129 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -152.8 | 140.8 | 161.1 | -62.1 | -175.5 | 0 | 0 | 0 | 105.5 | ||||
| 186 | S | 34.2 | Very low | 40.4 | Very low | 99 Ų | 99 | 126.9 Ų | 126.9 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | cis | 167.5 | 122.3 | -19 | 175.1 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 187 | S | 33.8 | Very low | 40.6 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | 173.8 | 156 | 151 | 35.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 188 | N | 41.7 | Very low | 41.3 | Very low | 159 Ų | 159 | 132.8 Ų | 132.8 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | trans | -87.6 | 159.5 | -168.9 | -63.1 | -3.3 | 0 | 0 | 0 | 114.3 | ||||
| 189 | P | 38.6 | Very low | 41.9 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -123.7 | 159.5 | 131 | 37.3 | -31.3 | 0 | 0 | 0 | 112.8 | ||||
| 190 | P | 46.4 | Very low | 42.8 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | trans | -96.1 | 154.7 | -178.3 | 37.1 | -34.9 | 0 | 0 | 0 | 114.7 | ||||
| 191 | T | 43.5 | Very low | 43.1 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | 48.7 | 113.1 | 150.5 | 54.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 192 | G | 38.1 | Very low | 43.5 | Very low | 64 Ų | 64 | 142.4 Ų | 142.4 | 66% | 0.66 | 79% | 0.792 | S | S | * | * | trans | 134 | 135 | 140.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 193 | H | 43.1 | Very low | 43.7 | Very low | 182 Ų | 182 | 143.3 Ų | 143.3 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | 65.5 | 124.6 | 165.5 | -53.7 | -82.5 | 0 | 0 | 0 | 118.8 | ||||
| 194 | P | 47.8 | Very low | 43.4 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | trans | -85 | 115.5 | 171.9 | 32.7 | -31.4 | 0 | 0 | 0 | 111.8 | ||||
| 195 | V | 43.3 | Very low | 43.6 | Very low | 134 Ų | 134 | 141 Ų | 141 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | trans | -80.8 | 117.7 | 170.8 | -178.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 196 | Q | 47.9 | Very low | 43.8 | Very low | 133 Ų | 133 | 144.4 Ų | 144.4 | 62% | 0.621 | 80% | 0.8 | S | S | * | * | trans | -85.1 | 118.5 | 178 | -71.4 | -69.9 | -42.5 | 0 | 0 | 111 | Y198 | Q196-Y198 HydrophobicContact CB-CD2 4.47Å; Q196-Y198 HydrophobicContact CB-CE2 3.95Å; Q196-Y198 PolarHBondContact O-N 3.1Å | ||
| 197 | F | 39.5 | Very low | 44.1 | Very low | 204 Ų | 204 | 148 Ų | 148 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | trans | -76.6 | 104.9 | 170.5 | -113.8 | -93.7 | 0 | 0 | 0 | 109.9 | S199 | F197-S199 PolarHBondContact O-N 2.82Š| ||
| 198 | Y | 45.7 | Very low | 44.7 | Very low | 195 Ų | 195 | 148 Ų | 148 | 77% | 0.765 | 80% | 0.8 | S | S | * | * | trans | -80.9 | 100.9 | 174.7 | -73.9 | -77.2 | 0 | 0 | 0 | 110.9 | Q196 | Q196-Y198 HydrophobicContact CB-CD2 4.47Å; Q196-Y198 HydrophobicContact CB-CE2 3.95Å; Q196-Y198 PolarHBondContact O-N 3.1Å | ||
| 199 | S | 50.2 | Low | 44.7 | Very low | 110 Ų | 110 | 145.9 Ų | 145.9 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -69.6 | 139.5 | 169 | -173.6 | 0 | 0 | 0 | 0 | 110.8 | F197 N201 | F197-S199 PolarHBondContact O-N 2.82Å; S199-N201 PolarHBondContact O-N 2.86Å | ||
| 200 | M | 53.8 | Low | 45 | Very low | 175 Ų | 175 | 146.1 Ų | 146.1 | 86% | 0.862 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -74.3 | 2.3 | -157.5 | -141.6 | 67.6 | 72.3 | 0 | 0 | 116.2 | ||
| 201 | N | 54.8 | Low | 44.6 | Very low | 154 Ų | 154 | 147.2 Ų | 147.2 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | trans | -112.3 | 98.4 | -174.2 | -77.3 | 9.5 | 0 | 0 | 0 | 112.6 | S199 | S199-N201 PolarHBondContact O-N 2.86Š| ||
| 202 | R | 50.3 | Low | 44.4 | Very low | 237 Ų | 237 | 148.3 Ų | 148.3 | 89% | 0.894 | 80% | 0.8 | S | S | * | * | trans | -147.1 | 128.9 | 161.8 | -148.3 | 175.2 | -162.1 | -141 | 3.7 | 111.6 | ||||
| 203 | P | 43.6 | Very low | 44.3 | Very low | 124 Ų | 124 | 148.6 Ų | 148.6 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 138.7 | 177.5 | 28.2 | -34.2 | 0 | 0 | 0 | 111.2 | ||
| 204 | A | 43.4 | Very low | 44 | Very low | 105 Ų | 105 | 144.1 Ų | 144.1 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 132.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 205 | S | 43 | Very low | 43.7 | Very low | 114 Ų | 114 | 144 Ų | 144 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 125.9 | 169.9 | 52.9 | 0 | 0 | 0 | 0 | 111.1 | H207 | S205-H207 PolarHBondContact O-N 2.86Š|
| 206 | R | 38 | Very low | 43.9 | Very low | 240 Ų | 240 | 145.6 Ų | 145.6 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 118.3 | -178.8 | -174.2 | 175.3 | -174.9 | -108.2 | 3.9 | 111.9 | ||
| 207 | H | 39 | Very low | 44.3 | Very low | 174 Ų | 174 | 144.2 Ų | 144.2 | 81% | 0.806 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 145.9 | 174.8 | -125.4 | -80.3 | 0 | 0 | 0 | 112.3 | S205 | S205-H207 PolarHBondContact O-N 2.86Š|
| 208 | T | 48.1 | Very low | 44 | Very low | 117 Ų | 117 | 146 Ų | 146 | 72% | 0.718 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 144.3 | 168 | 44.3 | 0 | 0 | 0 | 0 | 111.1 | ||
| 209 | P | 41.3 | Very low | 43.9 | Very low | 114 Ų | 114 | 147.8 Ų | 147.8 | 74% | 0.74 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 155.5 | 165.1 | 34.9 | -33.3 | 0 | 0 | 0 | 111 | ||
| 210 | P | 45.1 | Very low | 43.4 | Very low | 125 Ų | 125 | 154.2 Ų | 154.2 | 81% | 0.812 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 146 | 178.6 | 31.7 | -34.8 | 0 | 0 | 0 | 112.8 | ||
| 211 | T | 38 | Very low | 42.5 | Very low | 136 Ų | 136 | 151 Ų | 151 | 83% | 0.834 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 126.9 | 173.7 | -59.5 | 0 | 0 | 0 | 0 | 111.2 | ||
| 212 | I | 38.7 | Very low | 42.3 | Very low | 167 Ų | 167 | 149.1 Ų | 149.1 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 123.8 | 158.2 | -64.1 | 178.4 | 0 | 0 | 0 | 107.4 | ||
| 213 | G | 35.8 | Very low | 41.7 | Very low | 70 Ų | 70 | 143.1 Ų | 143.1 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 148.4 | -176 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 214 | G | 35.7 | Very low | 41.4 | Very low | 87 Ų | 87 | 145.1 Ų | 145.1 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | trans | -177.1 | 78.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 215 | S | 43.5 | Very low | 41 | Very low | 110 Ų | 110 | 145.6 Ų | 145.6 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | -97.6 | 141.4 | 175.7 | 49.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 216 | L | 46.4 | Very low | 40.7 | Very low | 166 Ų | 166 | 145 Ų | 145 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | -176.2 | 160.3 | 116.6 | -90.7 | 177.6 | 0 | 0 | 0 | 109.6 | |||||
| 217 | P | 56.5 | Low | 40.7 | Very low | 104 Ų | 104 | 142.1 Ų | 142.1 | 68% | 0.675 | 80% | 0.799 | S | S | * | * | trans | -111.8 | 157.2 | -158.3 | 39.9 | -33.8 | 0 | 0 | 0 | 115.3 | ||||
| 218 | Y | 33.5 | Very low | 40.5 | Very low | 242 Ų | 242 | 138.4 Ų | 138.4 | 95% | 0.949 | 79% | 0.789 | S | S | * | * | trans | -138.3 | 144.1 | 154.8 | -106 | -86.8 | 0 | 0 | 0 | 111.7 | ||||
| 219 | R | 42.1 | Very low | 39.7 | Very low | 232 Ų | 232 | 137.6 Ų | 137.6 | 88% | 0.875 | 79% | 0.788 | S | S | * | * | trans | -86.9 | 151.3 | -176.3 | -64.6 | -179.3 | 180 | -100.8 | 12.5 | 112.7 | ||||
| 220 | R | 39.9 | Very low | 39.6 | Very low | 245 Ų | 245 | 139.1 Ų | 139.1 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | -155.9 | 130.7 | 128.5 | -136.9 | 173.9 | -160.1 | 157.4 | 7.4 | 114 | |||||
| 221 | P | 35.8 | Very low | 39.1 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | trans | -88 | 175.3 | 165.1 | 36.2 | -33.1 | 0 | 0 | 0 | 112.2 | ||||
| 222 | P | 50.8 | Low | 39 | Very low | 116 Ų | 116 | 141.9 Ų | 141.9 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | trans | -115.9 | 178.3 | -150.5 | 43 | -37.1 | 0 | 0 | 0 | 118.2 | ||||
| 223 | S | 38.2 | Very low | 38.9 | Very low | 111 Ų | 111 | 142.7 Ų | 142.7 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | 85.9 | 165.8 | 152.9 | -58.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 224 | I | 35.4 | Very low | 38.9 | Very low | 166 Ų | 166 | 146.8 Ų | 146.8 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | trans | 88 | 140.7 | -179.1 | -123.8 | 154.9 | 0 | 0 | 0 | 114.4 | ||||
| 225 | T | 35 | Very low | 38.7 | Very low | 114 Ų | 114 | 150.2 Ų | 150.2 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | cis | -177 | 173.2 | -23.6 | -96.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 226 | S | 37 | Very low | 38.2 | Very low | 103 Ų | 103 | 148.5 Ų | 148.5 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | 70.3 | 150.8 | 162.6 | 47.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 227 | Q | 37.9 | Very low | 37.8 | Very low | 179 Ų | 179 | 144.2 Ų | 144.2 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | cis | -169.2 | 176.3 | -11.4 | -105.7 | -160.7 | 34.2 | 0 | 0 | 106.6 | ||||
| 228 | T | 36.3 | Very low | 37.8 | Very low | 96 Ų | 96 | 144.5 Ų | 144.5 | 59% | 0.589 | 78% | 0.783 | S | S | * | * | cis | -167.3 | 133.8 | -11.8 | -96.7 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 229 | S | 31.5 | Very low | 37.8 | Very low | 100 Ų | 100 | 141.5 Ų | 141.5 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | 177.5 | 125.7 | 102.8 | -113.5 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 230 | L | 39 | Very low | 37.5 | Very low | 145 Ų | 145 | 140 Ų | 140 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | 70.1 | 106.6 | 80.4 | -68 | 178.4 | 0 | 0 | 0 | 116.2 | |||||
| 231 | Q | 33.6 | Very low | 37.4 | Very low | 183 Ų | 183 | 134.6 Ų | 134.6 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | -162.9 | 145.1 | 114.2 | -165.5 | 63.5 | -12.3 | 0 | 0 | 111.4 | |||||
| 232 | N | 36.9 | Very low | 37.5 | Very low | 136 Ų | 136 | 137.9 Ų | 137.9 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -91.9 | 160.6 | 178 | -70.4 | -20.4 | 0 | 0 | 0 | 112.7 | ||||
| 233 | Q | 36.1 | Very low | 36.8 | Very low | 185 Ų | 185 | 138.9 Ų | 138.9 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | -166.9 | 168.6 | 114.3 | -98.3 | -50 | -17.1 | 0 | 0 | 113.3 | |||||
| 234 | M | 36.2 | Very low | 37.2 | Very low | 156 Ų | 156 | 139 Ų | 139 | 77% | 0.768 | 77% | 0.765 | S | S | * | * | trans | -108.1 | 176.1 | -170.2 | -156.7 | 81.4 | 84.3 | 0 | 0 | 113.3 | ||||
| 235 | N | 32 | Very low | 37.3 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | trans | 73.1 | 156.9 | 173.2 | -58.9 | 4.6 | 0 | 0 | 0 | 114.5 | ||||
| 236 | G | 32.8 | Very low | 37.7 | Very low | 74 Ų | 74 | 137.5 Ų | 137.5 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | cis | 154.8 | 126.8 | -3.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 237 | G | 37.1 | Very low | 38.4 | Very low | 77 Ų | 77 | 140 Ų | 140 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | -89 | -169.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 238 | P | 56.3 | Low | 38.9 | Very low | 109 Ų | 109 | 137.5 Ų | 137.5 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | cis | -131.4 | -171.2 | -3 | 24.5 | 0.5 | 0 | 0 | 0 | 114.3 | ||||
| 239 | F | 33.3 | Very low | 40 | Very low | 179 Ų | 179 | 138 Ų | 138 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | 100.3 | 137 | 157.1 | -69.9 | -72.8 | 0 | 0 | 0 | 123 | ||||
| 240 | Y | 35.4 | Very low | 41.5 | Very low | 200 Ų | 200 | 138.8 Ų | 138.8 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | trans | 72.4 | 129.8 | 151.6 | -85.2 | -68.8 | 0 | 0 | 0 | 124.8 | ||||
| 241 | N | 39.7 | Very low | 42.4 | Very low | 133 Ų | 133 | 137.6 Ų | 137.6 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | -35.9 | 146.1 | 176.6 | -52.3 | -8 | 0 | 0 | 0 | 118.9 | ||||
| 242 | Q | 36.9 | Very low | 44 | Very low | 176 Ų | 176 | 134.3 Ų | 134.3 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | -139.6 | 152.9 | 130.9 | -84.4 | -57.1 | -13.2 | 0 | 0 | 112.4 | ||||
| 243 | N | 35.5 | Very low | 45.4 | Very low | 136 Ų | 136 | 132.9 Ų | 132.9 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -43.9 | 175.8 | 177.6 | -84.7 | 18.2 | 0 | 0 | 0 | 118.8 | ||||
| 244 | P | 47.6 | Very low | 46.2 | Very low | 115 Ų | 115 | 130 Ų | 130 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | cis | -124.4 | 166.7 | 8.4 | 40.3 | -26.3 | 0 | 0 | 0 | 116.5 | ||||
| 245 | V | 37.1 | Very low | 47.1 | Very low | 139 Ų | 139 | 128.6 Ų | 128.6 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 133.5 | 169.6 | -167.8 | 0 | 0 | 0 | 0 | 108.9 | ||
| 246 | S | 43.8 | Very low | 48.2 | Very low | 109 Ų | 109 | 130.3 Ų | 130.3 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 150 | 172.6 | -68 | 0 | 0 | 0 | 0 | 112.1 | ||
| 247 | D | 52.3 | Low | 49 | Very low | 154 Ų | 154 | 134.5 Ų | 134.5 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 131.5 | -178.9 | -132.8 | -73.2 | 0 | 0 | 0 | 115 | ||
| 248 | T | 48.3 | Very low | 49.7 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | -172 | 133.1 | 147.4 | 7.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 249 | P | 58.7 | Low | 49.5 | Very low | 107 Ų | 107 | 137.4 Ų | 137.4 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 152.8 | 176.1 | 31.3 | -35 | 0 | 0 | 0 | 111.9 | ||
| 250 | P | 63.1 | Low | 50 | Low | 115 Ų | 115 | 138.3 Ų | 138.3 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 153.1 | 173.7 | 30.4 | -35.3 | 0 | 0 | 0 | 111.6 | ||
| 251 | P | 58.3 | Low | 50.7 | Low | 120 Ų | 120 | 134.9 Ų | 134.9 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 151.6 | 175.4 | 29.6 | -35.4 | 0 | 0 | 0 | 111.7 | ||
| 252 | P | 66.3 | Low | 51.4 | Low | 115 Ų | 115 | 137.3 Ų | 137.3 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -68 | 155.4 | 175.9 | 30 | -35.5 | 0 | 0 | 0 | 111.9 | ||
| 253 | P | 66.6 | Low | 52 | Low | 106 Ų | 106 | 134 Ų | 134 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 157.2 | 170.4 | 30.5 | -35.6 | 0 | 0 | 0 | 111.3 | V255 | P253-V255 PolarHBondContact O-N 3.05Š|
| 254 | P | 53.6 | Low | 53.2 | Low | 125 Ų | 125 | 132.6 Ų | 132.6 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 134.8 | 173.8 | 28.4 | -34.5 | 0 | 0 | 0 | 110.3 | ||
| 255 | V | 54.8 | Low | 53.8 | Low | 125 Ų | 125 | 132.4 Ų | 132.4 | 76% | 0.758 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 118.4 | 172.5 | 178.8 | 0 | 0 | 0 | 0 | 108.2 | P253 E257 | P253-V255 PolarHBondContact O-N 3.05Å; V255-E257 HydrophobicContact CG1-CB 4.19Å; V255-E257 HydrophobicContact CG1-CG 3.88Å |
| 256 | E | 54.9 | Low | 54.8 | Low | 194 Ų | 194 | 131.3 Ų | 131.3 | 91% | 0.907 | 77% | 0.768 | S | S | * | * | trans | -78.4 | 114.4 | 162.6 | -66.9 | -176 | 132.8 | 0 | 0 | 108.6 | ||||
| 257 | E | 50.3 | Low | 55.7 | Low | 162 Ų | 162 | 131.5 Ų | 131.5 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | trans | -148.4 | 157.4 | 174.1 | -96.7 | -80.6 | 111.2 | 0 | 0 | 106.8 | V255 | V255-E257 HydrophobicContact CG1-CB 4.19Å; V255-E257 HydrophobicContact CG1-CG 3.88Å | ||
| 258 | P | 51.1 | Low | 56.2 | Low | 100 Ų | 100 | 129.4 Ų | 129.4 | 65% | 0.649 | 76% | 0.761 | S | S | * | * | -99.1 | 175.1 | -121.3 | -10.8 | 30.3 | 0 | 0 | 0 | 116.8 | F260 | P258-F260 PolarHBondContact O-N 3.25Š| |||
| 259 | V | 51.5 | Low | 56.7 | Low | 147 Ų | 147 | 128.4 Ų | 128.4 | 89% | 0.891 | 76% | 0.757 | S | S | * | * | trans | -33.9 | 117.8 | 166.7 | -175.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 260 | F | 43.5 | Very low | 56.6 | Low | 198 Ų | 198 | 128.4 Ų | 128.4 | 87% | 0.868 | 76% | 0.757 | S | S | * | * | trans | -134.7 | 104.5 | 163.7 | -158 | -87.7 | 0 | 0 | 0 | 111.3 | P258 | P258-F260 PolarHBondContact O-N 3.25Š| ||
| 261 | D | 50.5 | Low | 56 | Low | 128 Ų | 128 | 131.4 Ų | 131.4 | 68% | 0.684 | 76% | 0.761 | S | S | * | * | trans | 39.2 | 119.6 | 163.8 | -130.4 | 35.1 | 0 | 0 | 0 | 120.1 | S263 | D261-S263 PolarHBondContact O-N 2.68Š| ||
| 262 | E | 54.2 | Low | 55 | Low | 185 Ų | 185 | 132.3 Ų | 132.3 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | trans | -64.9 | 113.4 | 167.2 | -179.3 | 154.6 | 92.1 | 0 | 0 | 109 | ||||
| 263 | S | 50.6 | Low | 54.1 | Low | 105 Ų | 105 | 137.1 Ų | 137.1 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -57 | 125.5 | 176.7 | -66.5 | 0 | 0 | 0 | 0 | 109.1 | D261 | D261-S263 PolarHBondContact O-N 2.68Š|
| 264 | P | 59.7 | Low | 52.6 | Low | 107 Ų | 107 | 139.8 Ų | 139.8 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 149.1 | -176.1 | 23.7 | -33.7 | 0 | 0 | 0 | 110.3 | ||
| 265 | P | 61.3 | Low | 52.3 | Low | 111 Ų | 111 | 143.4 Ų | 143.4 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 149 | 176.3 | 24.8 | -34.4 | 0 | 0 | 0 | 110 | ||
| 266 | P | 57.4 | Low | 51.6 | Low | 116 Ų | 116 | 145.4 Ų | 145.4 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 142 | 177.7 | 24.7 | -34.5 | 0 | 0 | 0 | 109.5 | ||
| 267 | P | 63.1 | Low | 51.2 | Low | 113 Ų | 113 | 145 Ų | 145 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 147 | -178.2 | 24.8 | -34.4 | 0 | 0 | 0 | 110.1 | ||
| 268 | P | 63.1 | Low | 50.9 | Low | 110 Ų | 110 | 141.2 Ų | 141.2 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 151.2 | 171.3 | 26.8 | -34.6 | 0 | 0 | 0 | 109.6 | ||
| 269 | P | 58.8 | Low | 50.3 | Low | 108 Ų | 108 | 141.1 Ų | 141.1 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 142.8 | 168.7 | 27.5 | -34.6 | 0 | 0 | 0 | 108.8 | E271 | P269-E271 PolarHBondContact O-N 3.46Š|
| 270 | P | 56.8 | Low | 50.1 | Low | 106 Ų | 106 | 139.6 Ų | 139.6 | 69% | 0.688 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 127.3 | 179.9 | 24.7 | -33.3 | 0 | 0 | 0 | 109.9 | D272 | P270-D272 PolarHBondContact O-N 2.97Š|
| 271 | E | 49.7 | Very low | 50.4 | Low | 179 Ų | 179 | 135.5 Ų | 135.5 | 84% | 0.836 | 76% | 0.759 | S | S | * | * | trans | -77.7 | 50.8 | 171.2 | -67.5 | -172.8 | 131 | 0 | 0 | 110.8 | P269 Y273 | P269-E271 PolarHBondContact O-N 3.46Å; E271-Y273 PolarHBondContact O-N 2.91Å | ||
| 272 | D | 36.4 | Very low | 50.3 | Low | 138 Ų | 138 | 137.3 Ų | 137.3 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | trans | -77.5 | 61.7 | 166 | -69 | -35 | 0 | 0 | 0 | 109 | P270 E274 | P270-D272 PolarHBondContact O-N 2.97Å; D272-E274 PolarHBondContact O-N 3.14Å | ||
| 273 | Y | 47.3 | Very low | 49.8 | Very low | 217 Ų | 217 | 137.7 Ų | 137.7 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | trans | -82.2 | 59.5 | 161.4 | -85.8 | -80.1 | 0 | 0 | 0 | 109.2 | E271 E275 | E271-Y273 PolarHBondContact O-N 2.91Å; Y273-E275 PolarHBondContact O-N 3.36Å | ||
| 274 | E | 35.5 | Very low | 49.6 | Very low | 161 Ų | 161 | 137.4 Ų | 137.4 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | trans | -82.7 | 106.1 | 160 | -69.7 | -157.4 | 138.7 | 0 | 0 | 108.5 | D272 E276 | D272-E274 PolarHBondContact O-N 3.14Å; E274-E276 PolarHBondContact O-N 3.41Å | ||
| 275 | E | 47.3 | Very low | 49.2 | Very low | 201 Ų | 201 | 135.5 Ų | 135.5 | 94% | 0.939 | 74% | 0.74 | S | S | * | * | trans | -73.3 | 59.8 | 173.3 | -168.9 | -178.7 | 166.8 | 0 | 0 | 110 | Y273 | Y273-E275 PolarHBondContact O-N 3.36Š| ||
| 276 | E | 40.1 | Very low | 49 | Very low | 168 Ų | 168 | 135.7 Ų | 135.7 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | trans | -79.8 | 134.1 | 171 | -72.9 | -142.1 | 121 | 0 | 0 | 111.1 | E274 | E274-E276 PolarHBondContact O-N 3.41Š| ||
| 277 | E | 46.4 | Very low | 48.8 | Very low | 184 Ų | 184 | 140.2 Ų | 140.2 | 86% | 0.86 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -65.1 | 168.8 | 177.2 | -65.5 | -169.3 | 106.1 | 0 | 0 | 112.5 | A279 | E277-A279 PolarHBondContact O-N 2.63Š|
| 278 | A | 44.4 | Very low | 48.3 | Very low | 83 Ų | 83 | 136.6 Ų | 136.6 | 69% | 0.686 | 72% | 0.724 | S | S | * | * | trans | 60.2 | 49.5 | 157.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | V280 | A278-V280 HydrophobicContact CB-CG2 4.47Å; A278-V280 PolarHBondContact O-N 3.45Å | ||
| 279 | A | 39.5 | Very low | 47.7 | Very low | 98 Ų | 98 | 139.5 Ų | 139.5 | 81% | 0.81 | 73% | 0.728 | S | S | * | * | trans | -64.6 | 52.8 | 144.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | E277 V281 | E277-A279 PolarHBondContact O-N 2.63Å; A279-V281 PolarHBondContact O-N 3.12Å | ||
| 280 | V | 45.7 | Very low | 47.8 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 70% | 0.703 | 74% | 0.737 | S | S | * | * | trans | -62.7 | 98.3 | 154.2 | 176 | 0 | 0 | 0 | 0 | 104.5 | A278 E282 | A278-V280 HydrophobicContact CB-CG2 4.47Å; A278-V280 PolarHBondContact O-N 3.45Å; V280-E282 PolarHBondContact O-N 3.09Å | ||
| 281 | V | 49.8 | Very low | 48.3 | Very low | 112 Ų | 112 | 140.6 Ų | 140.6 | 68% | 0.679 | 72% | 0.716 | S | S | * | * | trans | -62.6 | 99.1 | 166 | 179.2 | 0 | 0 | 0 | 0 | 105.2 | A279 Y283 | A279-V281 PolarHBondContact O-N 3.12Å; V281-Y283 HydrophobicContact CG1-CD2 3.98Å; V281-Y283 PolarHBondContact O-N 3.01Å | ||
| 282 | E | 50.3 | Low | 49.7 | Very low | 166 Ų | 166 | 134 Ų | 134 | 78% | 0.776 | 69% | 0.689 | S | S | * | * | trans | -64.5 | 87.9 | 175.4 | -172.6 | 170.8 | -176.5 | 0 | 0 | 107.1 | V280 S284 | V280-E282 PolarHBondContact O-N 3.09Å; E282-S284 PolarHBondContact O-N 3.09Å; E282-S284 PolarHBondContact O-OG 3.37Å | ||
| 283 | Y | 42.3 | Very low | 51.6 | Low | 193 Ų | 193 | 134.4 Ų | 134.4 | 76% | 0.757 | 70% | 0.699 | S | S | * | * | trans | -76.5 | 79.7 | -176.3 | -140.3 | -84.5 | 0 | 0 | 0 | 106.7 | V281 D285 | V281-Y283 HydrophobicContact CG1-CD2 3.98Å; V281-Y283 PolarHBondContact O-N 3.01Å; Y283-D285 PolarHBondContact O-N 3.43Å | ||
| 284 | S | 47.5 | Very low | 53.1 | Low | 98 Ų | 98 | 128 Ų | 128 | 69% | 0.685 | 67% | 0.673 | S | S | * | * | trans | -65.6 | 73.7 | 175.6 | -49.5 | 0 | 0 | 0 | 0 | 109.7 | E282 P286 | E282-S284 PolarHBondContact O-N 3.09Å; E282-S284 PolarHBondContact O-OG 3.37Å; S284-P286 WeakPolarHBondContact O-CD 3.42Å | ||
| 285 | D | 51.1 | Low | 55.4 | Low | 68 Ų | 68 | 121.2 Ų | 121.2 | 36% | 0.364 | 65% | 0.645 | S | S | . | * | trans | -56.3 | 121.9 | 169 | 177.8 | -1.1 | 0 | 0 | 0 | 107.7 | Y283 Y287 A288 | Y283-D285 PolarHBondContact O-N 3.43Å; D285-Y287 PolarHBondContact O-N 2.86Å; D285-Y287 WeakPolarHBondContact OD1-CB 3.33Å; D285-Y287 PolarHBondContact OD1-N 2.83Å; D285-A288 HydrophobicContact CB-CB 4.19Å; D285-A288 WeakPolarHBondContact O-CB 3.38Å; D285-A288 PolarHBondContact O-N 2.58Å | ||
| 286 | P | 57 | Low | 57.2 | Low | 115 Ų | 115 | 112.9 Ų | 112.9 | 75% | 0.747 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -2 | 177.4 | 27.4 | -35.2 | 0 | 0 | 0 | 113.9 | S284 | S284-P286 WeakPolarHBondContact O-CD 3.42Š|
| 287 | Y | 52.8 | Low | 59.1 | Low | 210 Ų | 210 | 117.2 Ų | 117.2 | 82% | 0.824 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | 0.2 | 166.7 | -75.4 | -85.3 | 0 | 0 | 0 | 115 | D285 E289 | D285-Y287 PolarHBondContact O-N 2.86Å; D285-Y287 WeakPolarHBondContact OD1-CB 3.33Å; D285-Y287 PolarHBondContact OD1-N 2.83Å; Y287-E289 VanDerWaalsContact C-N 3.31Å |
| 288 | A | 51.8 | Low | 61 | Low | 38 Ų | 38 | 112.1 Ų | 112.1 | 31% | 0.314 | 61% | 0.607 | S | S | . | * | trans | -82.9 | -2.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | D285 E290 D291 | D285-A288 HydrophobicContact CB-CB 4.19Å; D285-A288 WeakPolarHBondContact O-CB 3.38Å; D285-A288 PolarHBondContact O-N 2.58Å; A288-E290 PolarHBondContact O-N 3.04Å; A288-D291 PolarHBondContact O-N 2.64Å; A288-D291 VanDerWaalsContact O-N 3.14Å | ||
| 289 | E | 50.9 | Low | 63 | Low | 170 Ų | 170 | 112.2 Ų | 112.2 | 79% | 0.794 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | 115 | 170 | -70.4 | -67.8 | 162.3 | 0 | 0 | 110.1 | Y287 | Y287-E289 VanDerWaalsContact C-N 3.31Š|
| 290 | E | 60.3 | Low | 65.4 | Low | 189 Ų | 189 | 113.2 Ų | 113.2 | 88% | 0.883 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.1 | 42.2 | -170.4 | -57.2 | -166.3 | -165.9 | 0 | 0 | 116.9 | A288 | A288-E290 PolarHBondContact O-N 3.04Š|
| 291 | D | 68.4 | Low | 67.5 | Low | 48 Ų | 48 | 109 Ų | 109 | 26% | 0.257 | 55% | 0.554 | S | S | . | * | trans | -56.6 | 133.5 | 146.9 | -101.6 | -5.2 | 0 | 0 | 0 | 110.1 | A288 Y299 K302 Y326 | A288-D291 PolarHBondContact O-N 2.64Å; A288-D291 VanDerWaalsContact O-N 3.14Å; D291-Y299 PolarHBondContact OD2-OH 3.35Å; D291-K302 IonicContact OD1-NZ 2.57Å; D291-K302 PolarHBondContact OD1-NZ 2.66Å; D291-K302 IonicContact OD2-NZ 2.93Å; D291-K302 PolarHBondContact OD2-NZ 2.9Å; D291-Y326 PolarHBondContact OD1-OH 2.88Å; D291-Y326 WeakPolarHBondContact OD2-CE1 3.24Å | ||
| 292 | P | 78 | Confident | 69.5 | Low | 42 Ų | 42 | 105.8 Ų | 105.8 | 27% | 0.273 | 53% | 0.53 | S | S | . | . | trans | -60.3 | 151.9 | -167.8 | -27.2 | 35.3 | 0 | 0 | 0 | 113.8 | W294 A295 | P292-W294 HydrophobicContact CB-CD2 4.13Å; P292-W294 HydrophobicContact CB-CG 4.07Å; P292-W294 HydrophobicContact CB-CZ2 4.33Å; P292-W294 VanDerWaalsContact CB-NE1 3.32Å; P292-W294 HydrophobicContact CG-CZ2 4.12Å; P292-W294 PolarHBondContact O-N 3.11Å; P292-A295 VanDerWaalsContact O-CB 3.22Å; P292-A295 WeakPolarHBondContact O-CB 3.45Å; P292-A295 PolarHBondContact O-N 2.84Å | ||
| 293 | P | 77.1 | Confident | 71.5 | Confident | 145 Ų | 145 | 98 Ų | 98 | 94% | 0.942 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -4.1 | -179.4 | 28.1 | -36.8 | 0 | 0 | 0 | 114.8 | ||
| 294 | W | 79.3 | Confident | 74 | Confident | 82 Ų | 82 | 90.7 Ų | 90.7 | 31% | 0.311 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -12.9 | 170.1 | 62.2 | -107.6 | 0 | 0 | 0 | 113.7 | P292 Y326 V339 N341 G342 | P292-W294 HydrophobicContact CB-CD2 4.13Å; P292-W294 HydrophobicContact CB-CG 4.07Å; P292-W294 HydrophobicContact CB-CZ2 4.33Å; P292-W294 VanDerWaalsContact CB-NE1 3.32Å; P292-W294 HydrophobicContact CG-CZ2 4.12Å; P292-W294 PolarHBondContact O-N 3.11Å; W294-Y326 HydrophobicContact CH2-CD2 4.06Å; W294-Y326 AromaticContact CH2-CE2 3.61Å; W294-Y326 HydrophobicContact CH2-CE2 3.61Å; W294-Y326 AromaticContact CZ3-CD2 3.67Å; W294-Y326 HydrophobicContact CZ3-CD2 3.67Å; W294-Y326 AromaticContact CZ3-CE2 3.61Å; W294-Y326 HydrophobicContact CZ3-CE2 3.61Å; W294-V339 HydrophobicContact CE3-CG1 4Å; W294-V339 HydrophobicContact CZ3-CG1 4.2Å; W294-N341 VanDerWaalsContact CE3-N 3.34Å; W294-N341 WeakPolarHBondContact CZ2-OD1 3.44Å; W294-G342 VanDerWaalsContact CE3-N 3.32Å |
| 295 | A | 83.7 | Confident | 76.2 | Confident | 20 Ų | 20 | 86.1 Ų | 86.1 | 17% | 0.165 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -67.1 | 140 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | P292 Y326 | P292-A295 VanDerWaalsContact O-CB 3.22Å; P292-A295 WeakPolarHBondContact O-CB 3.45Å; P292-A295 PolarHBondContact O-N 2.84Å; A295-Y326 HydrophobicContact CB-CD2 4.26Å; A295-Y326 HydrophobicContact CB-CE1 4.18Å; A295-Y326 HydrophobicContact CB-CE2 3.9Å |
| 296 | P | 85.3 | Confident | 78.2 | Confident | 25 Ų | 25 | 85.5 Ų | 85.5 | 16% | 0.162 | 43% | 0.434 | C | S | . | . | trans | -68.3 | 137.8 | 176.8 | 29.9 | -34.3 | 0 | 0 | 0 | 109.9 | A298 Y299 Y326 I328 V339 | P296-A298 PolarHBondContact O-N 3.12Å; P296-Y299 HydrophobicContact CG-CD1 4.45Å; P296-Y299 WeakPolarHBondContact O-CD1 3.16Å; P296-Y326 HydrophobicContact CG-CG 4.29Å; P296-I328 HydrophobicContact CB-CD1 3.94Å; P296-I328 HydrophobicContact CB-CG1 4.32Å; P296-I328 HydrophobicContact CG-CD1 4.13Å; P296-I328 HydrophobicContact CG-CG1 4.13Å; P296-V339 HydrophobicContact CG-CB 4.27Å; P296-V339 HydrophobicContact CG-CG2 4.27Å | ||
| 297 | R | 80.1 | Confident | 79.9 | Confident | 260 Ų | 260 | 84.5 Ų | 84.5 | 98% | 0.981 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -66.9 | -16.4 | 177.8 | -63.9 | -176.8 | -174.4 | 162.8 | 0.8 | 114.1 | ||
| 298 | A | 84.6 | Confident | 81.8 | Confident | 76 Ų | 76 | 78.8 Ų | 78.8 | 63% | 0.628 | 40% | 0.4 | S | S | * | . | trans | -131.4 | 124 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | P296 | P296-A298 PolarHBondContact O-N 3.12Š| ||
| 299 | Y | 87.5 | Confident | 83.9 | Confident | 86 Ų | 86 | 77.3 Ų | 77.3 | 34% | 0.337 | 39% | 0.386 | S | S | . | . | trans | -145.1 | 150.5 | 174.4 | 55.3 | -95.8 | 0 | 0 | 0 | 109.2 | D291 P296 K302 Y326 V327 | D291-Y299 PolarHBondContact OD2-OH 3.35Å; P296-Y299 HydrophobicContact CG-CD1 4.45Å; P296-Y299 WeakPolarHBondContact O-CD1 3.16Å; Y299-K302 HydrophobicContact CE2-CB 4.24Å; Y299-Y326 AromaticContact CD1-CD1 3.64Å; Y299-Y326 HydrophobicContact CD1-CD1 3.64Å; Y299-Y326 HydrophobicContact CD1-CE1 4.43Å; Y299-Y326 HydrophobicContact CD1-CG 4.45Å; Y299-Y326 HydrophobicContact CD2-CD1 4.26Å; Y299-Y326 AromaticContact CE1-CD1 3.58Å; Y299-Y326 HydrophobicContact CE1-CD1 3.58Å; Y299-Y326 AromaticContact CE1-CE1 3.93Å; Y299-Y326 HydrophobicContact CE1-CE1 3.93Å; Y299-Y326 HydrophobicContact CE2-CD1 4.22Å; Y299-Y326 AromaticContact CG-CD1 3.98Å; Y299-Y326 HydrophobicContact CG-CD1 3.98Å; Y299-Y326 AromaticContact CZ-CD1 3.87Å; Y299-V327 CarbonylContact C-O 3.45Å; Y299-V327 WeakPolarHBondContact CA-O 3.47Å; Y299-V327 WeakPolarHBondContact CB-O 3.31Å | ||
| 300 | L | 89.8 | Confident | 86 | Confident | 119 Ų | 119 | 74.1 Ų | 74.1 | 62% | 0.623 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -73.5 | -39.8 | 174.5 | -68.8 | 171.2 | 0 | 0 | 0 | 111.7 | V327 I328 K330 | L300-V327 HydrophobicContact CB-CG1 4.49Å; L300-V327 PolarHBondContact N-O 2.78Å; L300-I328 WeakPolarHBondContact CD1-O 3.42Å; L300-K330 HydrophobicContact CD1-CG 4.4Å |
| 301 | E | 90.4 | Very high | 87.4 | Confident | 28 Ų | 28 | 69.2 Ų | 69.2 | 13% | 0.131 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 148 | -173.4 | -169.7 | 169.1 | -147.4 | 0 | 0 | 112.2 | V303 V327 K330 S354 M356 | E301-V303 HydrophobicContact CB-CG1 4.4Å; E301-V303 HydrophobicContact CG-CG1 3.92Å; E301-V327 HydrophobicContact CB-CB 4.37Å; E301-V327 WeakPolarHBondContact O-CB 3.29Å; E301-V327 PolarHBondContact O-N 2.97Å; E301-K330 WeakPolarHBondContact OE2-CE 3.32Å; E301-K330 IonicContact OE2-NZ 2.9Å; E301-K330 PolarHBondContact OE2-NZ 2.9Å; E301-S354 VanDerWaalsContact CD-OG 3.31Å; E301-S354 WeakPolarHBondContact OE1-CB 3.38Å; E301-S354 PolarHBondContact OE1-OG 3.41Å; E301-M356 HydrophobicContact CG-CG 3.94Å |
| 302 | K | 90.7 | Very high | 88.5 | Confident | 43 Ų | 43 | 73.3 Ų | 73.3 | 19% | 0.187 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 124.5 | 169.8 | -152.2 | 172.4 | -173.5 | 155.9 | 0 | 108.4 | D291 Y299 I324 Y326 I355 | D291-K302 IonicContact OD1-NZ 2.57Å; D291-K302 PolarHBondContact OD1-NZ 2.66Å; D291-K302 IonicContact OD2-NZ 2.93Å; D291-K302 PolarHBondContact OD2-NZ 2.9Å; Y299-K302 HydrophobicContact CE2-CB 4.24Å; K302-I324 HydrophobicContact CG-CG2 4.12Å; K302-Y326 HydrophobicContact CD-CE1 3.92Å; K302-Y326 VanDerWaalsContact CE-OH 3.26Å; K302-Y326 WeakPolarHBondContact CE-OH 3.06Å; K302-Y326 HydrophobicContact CG-CD1 4.14Å; K302-Y326 HydrophobicContact CG-CE1 3.9Å; K302-Y326 PolarHBondContact NZ-OH 3.37Å; K302-I355 HydrophobicContact CB-CB 4.46Å; K302-I355 HydrophobicContact CB-CD1 4.35Å; K302-I355 HydrophobicContact CG-CD1 3.98Å; K302-I355 WeakPolarHBondContact O-CB 3.34Å; K302-I355 PolarHBondContact O-N 3.21Å |
| 303 | V | 93.7 | Very high | 89.1 | Confident | 2 Ų | 2 | 75.5 Ų | 75.5 | 1% | 0.012 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 149.6 | -175.9 | -56.6 | 0 | 0 | 0 | 0 | 111.9 | E301 I325 V327 F347 V352 E353 | E301-V303 HydrophobicContact CB-CG1 4.4Å; E301-V303 HydrophobicContact CG-CG1 3.92Å; V303-I325 HydrophobicContact CG2-CB 3.92Å; V303-I325 WeakPolarHBondContact CG2-O 3.34Å; V303-I325 PolarHBondContact N-O 3.27Å; V303-I325 PolarHBondContact O-N 3.27Å; V303-V327 HydrophobicContact CB-CG2 4.37Å; V303-V327 HydrophobicContact CG1-CG2 3.67Å; V303-V327 HydrophobicContact CG2-CG2 3.73Å; V303-F347 HydrophobicContact CG2-CE2 4.44Å; V303-F347 HydrophobicContact CG2-CZ 4.28Å; V303-V352 HydrophobicContact CB-CB 3.93Å; V303-V352 HydrophobicContact CB-CG2 4.03Å; V303-V352 HydrophobicContact CG1-CG2 4.37Å; V303-V352 HydrophobicContact CG2-CB 3.79Å; V303-V352 HydrophobicContact CG2-CG1 3.94Å; V303-V352 HydrophobicContact CG2-CG2 3.87Å; V303-E353 CarbonylContact C-O 3.57Å; V303-E353 VanDerWaalsContact CA-O 3.31Å; V303-E353 WeakPolarHBondContact CA-O 3.45Å; V303-E353 WeakPolarHBondContact CB-O 3.33Å |
| 304 | V | 94.3 | Very high | 89.8 | Confident | 40 Ų | 40 | 77.1 Ų | 77.1 | 24% | 0.242 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 134 | 175.4 | 61 | 0 | 0 | 0 | 0 | 109.9 | I306 A323 I324 V352 E353 I355 | V304-I306 PolarHBondContact O-N 3.31Å; V304-A323 CarbonylContact C-O 3.52Å; V304-A323 WeakPolarHBondContact CA-O 3.26Å; V304-I324 HydrophobicContact CB-CD1 4.19Å; V304-I324 HydrophobicContact CG2-CD1 4.11Å; V304-V352 CarbonylContact O-C 3.53Å; V304-V352 WeakPolarHBondContact O-CA 3.41Å; V304-E353 HydrophobicContact CG1-CB 4.35Å; V304-E353 PolarHBondContact N-O 3.28Å; V304-E353 PolarHBondContact O-N 3.17Å; V304-I355 HydrophobicContact CB-CD1 3.99Å; V304-I355 HydrophobicContact CB-CG1 3.9Å; V304-I355 HydrophobicContact CG1-CG1 4.03Å |
| 305 | A | 93.9 | Very high | 90.5 | Very high | 2 Ų | 2 | 76.5 Ų | 76.5 | 2% | 0.017 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 125.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F319 Q320 G322 A323 Y351 | A305-F319 HydrophobicContact CB-CD2 3.39Å; A305-F319 HydrophobicContact CB-CE2 3.54Å; A305-F319 HydrophobicContact CB-CG 4.42Å; A305-Q320 VanDerWaalsContact CB-O 3.24Å; A305-Q320 WeakPolarHBondContact CB-O 3.26Å; A305-G322 PolarHBondContact O-N 2.75Å; A305-A323 HydrophobicContact CB-CB 4.19Å; A305-A323 PolarHBondContact N-O 3.13Å; A305-Y351 WeakPolarHBondContact CA-O 3.37Å |
| 306 | I | 93.3 | Very high | 91.1 | Very high | 56 Ų | 56 | 75.7 Ų | 75.7 | 29% | 0.287 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -99.5 | -3.2 | 176 | 55 | 164.9 | 0 | 0 | 0 | 112.8 | V304 Y351 E353 | V304-I306 PolarHBondContact O-N 3.31Å; I306-Y351 WeakPolarHBondContact CG1-O 2.99Å; I306-Y351 PolarHBondContact N-O 2.92Å; I306-E353 HydrophobicContact CG2-CB 3.79Å |
| 307 | Y | 92.2 | Very high | 91.5 | Very high | 94 Ų | 94 | 74.6 Ų | 74.6 | 37% | 0.369 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -149.8 | 154.7 | 172.3 | -58.4 | -72.8 | 0 | 0 | 0 | 111 | P77 Y351 | P77-Y307 HydrophobicContact CB-CE2 4.39Å; P77-Y307 HydrophobicContact CG-CD2 3.55Å; P77-Y307 HydrophobicContact CG-CE2 3.52Å; P77-Y307 HydrophobicContact CG-CG 4.49Å; Y307-Y351 HydrophobicContact CD2-CD1 4.5Å |
| 308 | D | 93.2 | Very high | 92.3 | Very high | 89 Ų | 89 | 64.5 Ų | 64.5 | 48% | 0.476 | 33% | 0.334 | S | S | . | . | trans | -60.9 | 136.5 | 166 | -72 | -18.8 | 0 | 0 | 0 | 111.5 | Q320 E321 | D308-Q320 WeakPolarHBondContact OD1-CA 3.36Å; D308-Q320 WeakPolarHBondContact OD1-CB 3.47Å; D308-E321 PolarHBondContact OD1-N 2.59Å | ||
| 309 | Y | 94.6 | Very high | 92.8 | Very high | 8 Ų | 8 | 61.5 Ų | 61.5 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -132.9 | 122.8 | 171 | -179.2 | -114.5 | 0 | 0 | 0 | 111.2 | E316 L317 S318 F319 W335 F347 P348 Y351 | Y309-E316 PolarHBondContact OH-OE2 2.93Å; Y309-E316 VanDerWaalsContact OH-OE2 3.12Å; Y309-L317 VanDerWaalsContact CD1-O 3.26Å; Y309-L317 WeakPolarHBondContact CD1-O 3.44Å; Y309-S318 CarbonylContact O-C 3.58Å; Y309-S318 VanDerWaalsContact O-CA 3.26Å; Y309-S318 WeakPolarHBondContact O-CA 3.33Å; Y309-F319 HydrophobicContact CD1-CD1 4.43Å; Y309-F319 AromaticContact CD1-CE1 3.84Å; Y309-F319 HydrophobicContact CD1-CE1 3.84Å; Y309-F319 HydrophobicContact CD1-CZ 4.13Å; Y309-F319 HydrophobicContact CG-CE1 4.35Å; Y309-F319 HydrophobicContact CG-CZ 4.21Å; Y309-F319 PolarHBondContact N-O 3.14Å; Y309-F319 PolarHBondContact O-N 3.44Å; Y309-W335 WeakPolarHBondContact OH-CH2 3.16Å; Y309-F347 HydrophobicContact CD1-CB 4.34Å; Y309-F347 HydrophobicContact CE1-CB 4.36Å; Y309-P348 HydrophobicContact CD1-CG 4.32Å; Y309-P348 HydrophobicContact CD2-CG 3.86Å; Y309-P348 VanDerWaalsContact CE1-CD 3.49Å; Y309-P348 HydrophobicContact CE1-CG 4.32Å; Y309-P348 HydrophobicContact CE2-CG 3.89Å; Y309-P348 HydrophobicContact CG-CG 4.12Å; Y309-Y351 HydrophobicContact CD2-CD1 4.49Å; Y309-Y351 HydrophobicContact CD2-CE1 4.46Å |
| 310 | T | 94.6 | Very high | 93.1 | Very high | 102 Ų | 102 | 64.1 Ų | 64.1 | 63% | 0.626 | 32% | 0.322 | S | S | * | . | trans | -101.7 | 131.9 | 171.4 | -51.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 311 | K | 91.5 | Very high | 93.2 | Very high | 86 Ų | 86 | 65 Ų | 65 | 37% | 0.374 | 32% | 0.323 | S | S | . | . | trans | -66.1 | 138.4 | 174.4 | 75.4 | -176.8 | -162.3 | 166.8 | 0 | 113.3 | K313 E314 E316 S318 | K311-K313 WeakPolarHBondContact CD-O 3.35Å; K311-K313 WeakPolarHBondContact CE-O 3.38Å; K311-K313 WeakPolarHBondContact CG-O 3.32Å; K311-E314 PolarHBondContact NZ-O 3.16Å; K311-E316 HydrophobicContact CB-CB 3.55Å; K311-E316 HydrophobicContact CD-CB 4.49Å; K311-E316 WeakPolarHBondContact CD-O 3.16Å; K311-E316 PolarHBondContact NZ-O 3.09Å; K311-S318 WeakPolarHBondContact CB-OG 3.5Å; K311-S318 WeakPolarHBondContact CG-OG 3.39Å; K311-S318 PolarHBondContact N-OG 3.4Å | ||
| 312 | D | 89.7 | Confident | 93 | Very high | 134 Ų | 134 | 66 Ų | 66 | 72% | 0.717 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -95.1 | -25.6 | 172.3 | -66.6 | -53.2 | 0 | 0 | 0 | 111 | E316 | D312-E316 WeakPolarHBondContact CA-OE2 3.4Å; D312-E316 PolarHBondContact N-OE2 3.22Å |
| 313 | K | 92.1 | Very high | 93 | Very high | 89 Ų | 89 | 64.9 Ų | 64.9 | 39% | 0.387 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -118.4 | 175.6 | 177.5 | -57.6 | -162.3 | -95.5 | 65.7 | 0 | 113.9 | K311 D315 E316 | K311-K313 WeakPolarHBondContact CD-O 3.35Å; K311-K313 WeakPolarHBondContact CE-O 3.38Å; K311-K313 WeakPolarHBondContact CG-O 3.32Å; K313-D315 WeakPolarHBondContact CB-OD1 3.33Å; K313-D315 IonicContact NZ-OD1 2.7Å; K313-D315 PolarHBondContact NZ-OD1 3.35Å; K313-D315 IonicContact NZ-OD2 2.83Å; K313-D315 PolarHBondContact NZ-OD2 2.78Å; K313-E316 HydrophobicContact CB-CG 4.3Å; K313-E316 WeakPolarHBondContact CE-OE1 3.2Å; K313-E316 PolarHBondContact N-OE2 2.83Å; K313-E316 IonicContact NZ-OE1 3.37Å; K313-E316 PolarHBondContact NZ-OE1 3.14Å |
| 314 | E | 90.9 | Very high | 93 | Very high | 178 Ų | 178 | 68.1 Ų | 68.1 | 83% | 0.832 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -78.2 | -33.4 | -179.8 | 65.9 | -174.9 | 167.6 | 0 | 0 | 113.4 | K311 E316 | K311-E314 PolarHBondContact NZ-O 3.16Å; E314-E316 PolarHBondContact O-N 2.89Å |
| 315 | D | 94.1 | Very high | 93.1 | Very high | 70 Ų | 70 | 66.2 Ų | 66.2 | 37% | 0.374 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -72.4 | -9.7 | 177.5 | 53.9 | -57.2 | 0 | 0 | 0 | 114.5 | K313 G345 L346 | K313-D315 WeakPolarHBondContact CB-OD1 3.33Å; K313-D315 IonicContact NZ-OD1 2.7Å; K313-D315 PolarHBondContact NZ-OD1 3.35Å; K313-D315 IonicContact NZ-OD2 2.83Å; K313-D315 PolarHBondContact NZ-OD2 2.78Å; D315-G345 CarbonylContact O-C 3.46Å; D315-G345 WeakPolarHBondContact O-CA 3.36Å; D315-L346 PolarHBondContact O-N 3.23Å |
| 316 | E | 95.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.009 | 35% | 0.345 | C | S | . | . | B | Isolated β-bridge | trans | -93 | 156.4 | -175.7 | -76.7 | 164.6 | -165.9 | 0 | 0 | 112.8 | M82 Y309 K311 D312 K313 E314 W335 L346 | M82-E316 VanDerWaalsContact CE-OE1 3.29Å; M82-E316 WeakPolarHBondContact CE-OE1 3Å; Y309-E316 PolarHBondContact OH-OE2 2.93Å; Y309-E316 VanDerWaalsContact OH-OE2 3.12Å; K311-E316 HydrophobicContact CB-CB 3.55Å; K311-E316 HydrophobicContact CD-CB 4.49Å; K311-E316 WeakPolarHBondContact CD-O 3.16Å; K311-E316 PolarHBondContact NZ-O 3.09Å; D312-E316 WeakPolarHBondContact CA-OE2 3.4Å; D312-E316 PolarHBondContact N-OE2 3.22Å; K313-E316 HydrophobicContact CB-CG 4.3Å; K313-E316 WeakPolarHBondContact CE-OE1 3.2Å; K313-E316 PolarHBondContact N-OE2 2.83Å; K313-E316 IonicContact NZ-OE1 3.37Å; K313-E316 PolarHBondContact NZ-OE1 3.14Å; E314-E316 PolarHBondContact O-N 2.89Å; E316-W335 HydrophobicContact CG-CH2 4.48Å; E316-W335 HydrophobicContact CG-CZ3 3.94Å; E316-L346 CarbonylContact C-O 3.51Å; E316-L346 WeakPolarHBondContact CA-O 3.19Å; E316-L346 HydrophobicContact CG-CB 4.41Å |
| 317 | L | 95.5 | Very high | 93.2 | Very high | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | trans | -108.3 | 112.4 | -177 | -177.2 | 66.8 | 0 | 0 | 0 | 111 | Y309 F319 I325 M340 V343 L346 F347 | Y309-L317 VanDerWaalsContact CD1-O 3.26Å; Y309-L317 WeakPolarHBondContact CD1-O 3.44Å; L317-F319 HydrophobicContact CG-CD1 4.4Å; L317-F319 VanDerWaalsContact O-CD1 3.32Å; L317-F319 WeakPolarHBondContact O-CD1 3.33Å; L317-I325 HydrophobicContact CD2-CD1 4.39Å; L317-I325 HydrophobicContact CD2-CG2 3.87Å; L317-M340 HydrophobicContact CD1-CB 4.46Å; L317-M340 HydrophobicContact CD1-CE 4.47Å; L317-M340 HydrophobicContact CD2-CB 4.11Å; L317-V343 HydrophobicContact CD1-CB 4.1Å; L317-V343 HydrophobicContact CD1-CG1 3.86Å; L317-V343 WeakPolarHBondContact CD1-O 3.3Å; L317-L346 PolarHBondContact N-O 3.19Å; L317-F347 HydrophobicContact CB-CD1 4.45Å; L317-F347 HydrophobicContact CD2-CD1 4.05Å; L317-F347 HydrophobicContact CD2-CE1 4.38Å | ||
| 318 | S | 95.2 | Very high | 93.4 | Very high | 48 Ų | 48 | 62.5 Ų | 62.5 | 34% | 0.336 | 33% | 0.33 | S | S | . | . | trans | -79.6 | 140.5 | 172.2 | -59.2 | 0 | 0 | 0 | 0 | 112 | Y309 K311 M340 | Y309-S318 CarbonylContact O-C 3.58Å; Y309-S318 VanDerWaalsContact O-CA 3.26Å; Y309-S318 WeakPolarHBondContact O-CA 3.33Å; K311-S318 WeakPolarHBondContact CB-OG 3.5Å; K311-S318 WeakPolarHBondContact CG-OG 3.39Å; K311-S318 PolarHBondContact N-OG 3.4Å; S318-M340 WeakPolarHBondContact O-CE 3.48Å | ||
| 319 | F | 95.5 | Very high | 93.4 | Very high | 12 Ų | 12 | 63.1 Ų | 63.1 | 5% | 0.053 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -155.3 | 171.2 | 175.3 | 53 | -98.1 | 0 | 0 | 0 | 112.5 | A305 Y309 L317 A323 I325 M340 F347 V352 | A305-F319 HydrophobicContact CB-CD2 3.39Å; A305-F319 HydrophobicContact CB-CE2 3.54Å; A305-F319 HydrophobicContact CB-CG 4.42Å; Y309-F319 HydrophobicContact CD1-CD1 4.43Å; Y309-F319 AromaticContact CD1-CE1 3.84Å; Y309-F319 HydrophobicContact CD1-CE1 3.84Å; Y309-F319 HydrophobicContact CD1-CZ 4.13Å; Y309-F319 HydrophobicContact CG-CE1 4.35Å; Y309-F319 HydrophobicContact CG-CZ 4.21Å; Y309-F319 PolarHBondContact N-O 3.14Å; Y309-F319 PolarHBondContact O-N 3.44Å; L317-F319 HydrophobicContact CG-CD1 4.4Å; L317-F319 VanDerWaalsContact O-CD1 3.32Å; L317-F319 WeakPolarHBondContact O-CD1 3.33Å; F319-A323 HydrophobicContact CB-CB 3.98Å; F319-I325 HydrophobicContact CB-CD1 4.42Å; F319-I325 HydrophobicContact CD1-CD1 3.46Å; F319-I325 VanDerWaalsContact CD1-CD1 3.46Å; F319-I325 HydrophobicContact CD2-CD1 4.27Å; F319-I325 HydrophobicContact CE1-CD1 3.6Å; F319-I325 HydrophobicContact CE2-CD1 4.39Å; F319-I325 HydrophobicContact CG-CD1 3.8Å; F319-I325 HydrophobicContact CZ-CD1 4.07Å; F319-M340 HydrophobicContact CB-CE 3.83Å; F319-M340 HydrophobicContact CB-SD 3.69Å; F319-F347 HydrophobicContact CE1-CB 3.59Å; F319-F347 HydrophobicContact CE1-CD2 4.06Å; F319-F347 AromaticContact CE1-CG 3.89Å; F319-F347 HydrophobicContact CE1-CG 3.89Å; F319-F347 HydrophobicContact CZ-CB 4.25Å; F319-F347 HydrophobicContact CZ-CD2 4.22Å; F319-F347 HydrophobicContact CZ-CG 4.48Å; F319-V352 HydrophobicContact CZ-CG1 4.27Å |
| 320 | Q | 95.1 | Very high | 93.4 | Very high | 142 Ų | 142 | 66.6 Ų | 66.6 | 66% | 0.664 | 34% | 0.344 | S | S | * | . | trans | -109.6 | 160.7 | 176.9 | -59.4 | -163.1 | -103.1 | 0 | 0 | 111.8 | A305 D308 G322 A323 | A305-Q320 VanDerWaalsContact CB-O 3.24Å; A305-Q320 WeakPolarHBondContact CB-O 3.26Å; D308-Q320 WeakPolarHBondContact OD1-CA 3.36Å; D308-Q320 WeakPolarHBondContact OD1-CB 3.47Å; Q320-G322 PolarHBondContact O-N 2.96Å; Q320-A323 WeakPolarHBondContact O-CB 3.24Å; Q320-A323 PolarHBondContact O-N 3.47Å | ||
| 321 | E | 90.5 | Very high | 93.4 | Very high | 137 Ų | 137 | 63.6 Ų | 63.6 | 64% | 0.64 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 132.3 | 167.9 | -171.3 | -178.4 | 143.8 | 0 | 0 | 110.8 | D308 | D308-E321 PolarHBondContact OD1-N 2.59Š|
| 322 | G | 86.4 | Confident | 93.3 | Very high | 48 Ų | 48 | 68 Ų | 68 | 50% | 0.495 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | -3.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | A305 Q320 | A305-G322 PolarHBondContact O-N 2.75Å; Q320-G322 PolarHBondContact O-N 2.96Å |
| 323 | A | 92.1 | Very high | 93.2 | Very high | 21 Ų | 21 | 63.4 Ų | 63.4 | 17% | 0.174 | 33% | 0.327 | C | S | . | . | trans | -68.4 | 142.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V304 A305 F319 Q320 M340 | V304-A323 CarbonylContact C-O 3.52Å; V304-A323 WeakPolarHBondContact CA-O 3.26Å; A305-A323 HydrophobicContact CB-CB 4.19Å; A305-A323 PolarHBondContact N-O 3.13Å; F319-A323 HydrophobicContact CB-CB 3.98Å; Q320-A323 WeakPolarHBondContact O-CB 3.24Å; Q320-A323 PolarHBondContact O-N 3.47Å; A323-M340 HydrophobicContact CB-SD 3.76Å | ||
| 324 | I | 93.5 | Very high | 93.2 | Very high | 69 Ų | 69 | 60.4 Ų | 60.4 | 35% | 0.354 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 128.4 | 177.4 | -50.9 | -61 | 0 | 0 | 0 | 109.7 | K302 V304 Y326 I355 | K302-I324 HydrophobicContact CG-CG2 4.12Å; V304-I324 HydrophobicContact CB-CD1 4.19Å; V304-I324 HydrophobicContact CG2-CD1 4.11Å; I324-Y326 HydrophobicContact CG2-CE2 4.47Å; I324-I355 HydrophobicContact CD1-CD1 3.75Å; I324-I355 HydrophobicContact CG2-CD1 4.06Å |
| 325 | I | 95.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 138.1 | -178 | -43.8 | 178 | 0 | 0 | 0 | 109.2 | V303 L317 F319 M340 F347 V352 | V303-I325 HydrophobicContact CG2-CB 3.92Å; V303-I325 WeakPolarHBondContact CG2-O 3.34Å; V303-I325 PolarHBondContact N-O 3.27Å; V303-I325 PolarHBondContact O-N 3.27Å; L317-I325 HydrophobicContact CD2-CD1 4.39Å; L317-I325 HydrophobicContact CD2-CG2 3.87Å; F319-I325 HydrophobicContact CB-CD1 4.42Å; F319-I325 HydrophobicContact CD1-CD1 3.46Å; F319-I325 VanDerWaalsContact CD1-CD1 3.46Å; F319-I325 HydrophobicContact CD2-CD1 4.27Å; F319-I325 HydrophobicContact CE1-CD1 3.6Å; F319-I325 HydrophobicContact CE2-CD1 4.39Å; F319-I325 HydrophobicContact CG-CD1 3.8Å; F319-I325 HydrophobicContact CZ-CD1 4.07Å; I325-M340 HydrophobicContact CG1-CB 4.34Å; I325-M340 HydrophobicContact CG2-CB 4.46Å; I325-F347 HydrophobicContact CB-CZ 4.36Å; I325-F347 HydrophobicContact CD1-CE1 4.46Å; I325-F347 HydrophobicContact CD1-CE2 4.31Å; I325-F347 HydrophobicContact CD1-CZ 4.26Å; I325-F347 HydrophobicContact CG2-CE1 3.65Å; I325-F347 HydrophobicContact CG2-CZ 3.81Å; I325-V352 HydrophobicContact CD1-CG1 4.17Å |
| 326 | Y | 94.6 | Very high | 93.6 | Very high | 7 Ų | 7 | 51.8 Ų | 51.8 | 3% | 0.027 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 110.1 | 175 | -60.7 | -94.9 | 0 | 0 | 0 | 108.9 | D291 W294 A295 P296 Y299 K302 I324 I328 G338 V339 | D291-Y326 PolarHBondContact OD1-OH 2.88Å; D291-Y326 WeakPolarHBondContact OD2-CE1 3.24Å; W294-Y326 HydrophobicContact CH2-CD2 4.06Å; W294-Y326 AromaticContact CH2-CE2 3.61Å; W294-Y326 HydrophobicContact CH2-CE2 3.61Å; W294-Y326 AromaticContact CZ3-CD2 3.67Å; W294-Y326 HydrophobicContact CZ3-CD2 3.67Å; W294-Y326 AromaticContact CZ3-CE2 3.61Å; W294-Y326 HydrophobicContact CZ3-CE2 3.61Å; A295-Y326 HydrophobicContact CB-CD2 4.26Å; A295-Y326 HydrophobicContact CB-CE1 4.18Å; A295-Y326 HydrophobicContact CB-CE2 3.9Å; P296-Y326 HydrophobicContact CG-CG 4.29Å; Y299-Y326 AromaticContact CD1-CD1 3.64Å; Y299-Y326 HydrophobicContact CD1-CD1 3.64Å; Y299-Y326 HydrophobicContact CD1-CE1 4.43Å; Y299-Y326 HydrophobicContact CD1-CG 4.45Å; Y299-Y326 HydrophobicContact CD2-CD1 4.26Å; Y299-Y326 AromaticContact CE1-CD1 3.58Å; Y299-Y326 HydrophobicContact CE1-CD1 3.58Å; Y299-Y326 AromaticContact CE1-CE1 3.93Å; Y299-Y326 HydrophobicContact CE1-CE1 3.93Å; Y299-Y326 HydrophobicContact CE2-CD1 4.22Å; Y299-Y326 AromaticContact CG-CD1 3.98Å; Y299-Y326 HydrophobicContact CG-CD1 3.98Å; Y299-Y326 AromaticContact CZ-CD1 3.87Å; K302-Y326 HydrophobicContact CD-CE1 3.92Å; K302-Y326 VanDerWaalsContact CE-OH 3.26Å; K302-Y326 WeakPolarHBondContact CE-OH 3.06Å; K302-Y326 HydrophobicContact CG-CD1 4.14Å; K302-Y326 HydrophobicContact CG-CE1 3.9Å; K302-Y326 PolarHBondContact NZ-OH 3.37Å; I324-Y326 HydrophobicContact CG2-CE2 4.47Å; Y326-I328 PolarHBondContact O-N 3.06Å; Y326-G338 CarbonylContact O-C 3.44Å; Y326-G338 WeakPolarHBondContact O-CA 3.17Å; Y326-V339 PolarHBondContact N-O 3.48Å; Y326-V339 PolarHBondContact O-N 3.32Å |
| 327 | V | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 114.6 | -179.9 | -179 | 0 | 0 | 0 | 0 | 109 | Y299 L300 E301 V303 K329 K330 Y336 E337 F347 | Y299-V327 CarbonylContact C-O 3.45Å; Y299-V327 WeakPolarHBondContact CA-O 3.47Å; Y299-V327 WeakPolarHBondContact CB-O 3.31Å; L300-V327 HydrophobicContact CB-CG1 4.49Å; L300-V327 PolarHBondContact N-O 2.78Å; E301-V327 HydrophobicContact CB-CB 4.37Å; E301-V327 WeakPolarHBondContact O-CB 3.29Å; E301-V327 PolarHBondContact O-N 2.97Å; V303-V327 HydrophobicContact CB-CG2 4.37Å; V303-V327 HydrophobicContact CG1-CG2 3.67Å; V303-V327 HydrophobicContact CG2-CG2 3.73Å; V327-K329 WeakPolarHBondContact CG1-O 3.41Å; V327-K330 HydrophobicContact CG1-CG 3.78Å; V327-Y336 HydrophobicContact CG2-CD2 4.32Å; V327-E337 CarbonylContact C-O 3.58Å; V327-F347 HydrophobicContact CG2-CZ 4.13Å |
| 328 | I | 94.7 | Very high | 93.6 | Very high | 67 Ų | 67 | 54.8 Ų | 54.8 | 34% | 0.344 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | -34 | 172.3 | -66.3 | -177.2 | 0 | 0 | 0 | 110.4 | P296 L300 Y326 E337 V339 | P296-I328 HydrophobicContact CB-CD1 3.94Å; P296-I328 HydrophobicContact CB-CG1 4.32Å; P296-I328 HydrophobicContact CG-CD1 4.13Å; P296-I328 HydrophobicContact CG-CG1 4.13Å; L300-I328 WeakPolarHBondContact CD1-O 3.42Å; Y326-I328 PolarHBondContact O-N 3.06Å; I328-E337 PolarHBondContact N-O 3.31Å; I328-V339 HydrophobicContact CD1-CG2 3.57Å; I328-V339 HydrophobicContact CG1-CG2 4.37Å |
| 329 | K | 94.3 | Very high | 93.6 | Very high | 102 Ų | 102 | 52.9 Ų | 52.9 | 44% | 0.443 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 148.6 | -177 | -163.6 | -174.8 | 173.8 | -155.6 | 0 | 111.9 | V327 N331 Y336 E337 | V327-K329 WeakPolarHBondContact CG1-O 3.41Å; K329-N331 WeakPolarHBondContact CE-OD1 3.5Å; K329-N331 PolarHBondContact NZ-OD1 3.03Å; K329-Y336 CarbonylContact O-C 3.56Å; K329-Y336 WeakPolarHBondContact O-CA 3.46Å; K329-E337 HydrophobicContact CB-CB 3.84Å; K329-E337 PolarHBondContact N-O 3.16Å; K329-E337 PolarHBondContact O-N 2.77Å |
| 330 | K | 95.1 | Very high | 93.5 | Very high | 81 Ų | 81 | 53.5 Ų | 53.5 | 35% | 0.352 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 131.8 | 165.8 | -59.7 | -171.6 | 174.4 | -172.9 | 0 | 108.7 | L300 E301 V327 Y336 | L300-K330 HydrophobicContact CD1-CG 4.4Å; E301-K330 WeakPolarHBondContact OE2-CE 3.32Å; E301-K330 IonicContact OE2-NZ 2.9Å; E301-K330 PolarHBondContact OE2-NZ 2.9Å; V327-K330 HydrophobicContact CG1-CG 3.78Å; K330-Y336 HydrophobicContact CB-CD1 3.72Å; K330-Y336 HydrophobicContact CB-CE1 3.79Å; K330-Y336 HydrophobicContact CD-CD1 4.13Å; K330-Y336 HydrophobicContact CD-CE1 3.68Å; K330-Y336 HydrophobicContact CD-CE2 4.16Å; K330-Y336 HydrophobicContact CG-CD1 3.59Å; K330-Y336 HydrophobicContact CG-CD2 4.41Å; K330-Y336 HydrophobicContact CG-CE1 3.65Å; K330-Y336 HydrophobicContact CG-CE2 4.45Å; K330-Y336 HydrophobicContact CG-CG 4Å |
| 331 | N | 93.5 | Very high | 93.2 | Very high | 40 Ų | 40 | 52 Ų | 52 | 21% | 0.214 | 28% | 0.276 | C | S | . | . | trans | -101.4 | 152.4 | 173.3 | -58.1 | -32 | 0 | 0 | 0 | 110.2 | K329 D333 G334 W335 | K329-N331 WeakPolarHBondContact CE-OD1 3.5Å; K329-N331 PolarHBondContact NZ-OD1 3.03Å; N331-D333 VanDerWaalsContact CB-OD1 3.26Å; N331-D333 WeakPolarHBondContact CB-OD1 3.46Å; N331-D333 PolarHBondContact O-N 2.82Å; N331-G334 PolarHBondContact O-N 3.45Å; N331-G334 VanDerWaalsContact O-N 3.14Å; N331-W335 VanDerWaalsContact CB-O 3.31Å; N331-W335 WeakPolarHBondContact CB-O 3.26Å; N331-W335 PolarHBondContact N-O 3.36Å | ||
| 332 | D | 90.1 | Very high | 93.1 | Very high | 179 Ų | 179 | 47.6 Ų | 47.6 | 96% | 0.957 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -11.9 | -177.5 | -53.8 | -62 | 0 | 0 | 0 | 114.3 | G334 | D332-G334 VanDerWaalsContact C-N 3.27Š|
| 333 | D | 88.1 | Confident | 93.4 | Very high | 36 Ų | 36 | 49.2 Ų | 49.2 | 19% | 0.193 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -0.7 | 173.9 | 65.3 | 1.1 | 0 | 0 | 0 | 113.6 | P81 S83 N331 W335 | P81-D333 WeakPolarHBondContact CD-O 3.44Å; S83-D333 WeakPolarHBondContact CB-OD2 3.29Å; S83-D333 WeakPolarHBondContact OG-CB 3.31Å; S83-D333 PolarHBondContact OG-OD2 2.94Å; N331-D333 VanDerWaalsContact CB-OD1 3.26Å; N331-D333 WeakPolarHBondContact CB-OD1 3.46Å; N331-D333 PolarHBondContact O-N 2.82Å; D333-W335 WeakPolarHBondContact OD1-CB 3.35Å; D333-W335 PolarHBondContact OD1-N 3.16Å; D333-W335 VanDerWaalsContact OD1-N 3.09Å |
| 334 | G | 92.3 | Very high | 93.5 | Very high | 27 Ų | 27 | 52 Ų | 52 | 28% | 0.278 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 88.1 | 6.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | N331 D332 G349 | N331-G334 PolarHBondContact O-N 3.45Å; N331-G334 VanDerWaalsContact O-N 3.14Å; D332-G334 VanDerWaalsContact C-N 3.27Å; G334-G349 PolarHBondContact O-N 3.35Å |
| 335 | W | 95.3 | Very high | 93.6 | Very high | 16 Ų | 16 | 49 Ų | 49 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 134.2 | 169.9 | -69.2 | 79.3 | 0 | 0 | 0 | 111.3 | P80 P81 M82 Y309 E316 N331 D333 L346 F347 | P80-W335 HydrophobicContact CG-CD2 4.42Å; P80-W335 HydrophobicContact CG-CZ2 4.37Å; P81-W335 PolarHBondContact O-NE1 3.36Å; M82-W335 HydrophobicContact CE-CH2 3.79Å; M82-W335 HydrophobicContact CE-CZ2 3.73Å; M82-W335 HydrophobicContact CG-CZ2 3.76Å; Y309-W335 WeakPolarHBondContact OH-CH2 3.16Å; E316-W335 HydrophobicContact CG-CH2 4.48Å; E316-W335 HydrophobicContact CG-CZ3 3.94Å; N331-W335 VanDerWaalsContact CB-O 3.31Å; N331-W335 WeakPolarHBondContact CB-O 3.26Å; N331-W335 PolarHBondContact N-O 3.36Å; D333-W335 WeakPolarHBondContact OD1-CB 3.35Å; D333-W335 PolarHBondContact OD1-N 3.16Å; D333-W335 VanDerWaalsContact OD1-N 3.09Å; W335-L346 HydrophobicContact CE3-CB 4.14Å; W335-F347 WeakPolarHBondContact CA-O 3.38Å; W335-F347 VanDerWaalsContact CE3-C 3.42Å |
| 336 | Y | 96.4 | Very high | 93.7 | Very high | 51 Ų | 51 | 51 Ų | 51 | 20% | 0.2 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 144.3 | 176 | -62.1 | -9.2 | 0 | 0 | 0 | 109.4 | V327 K329 K330 L346 F347 V352 | V327-Y336 HydrophobicContact CG2-CD2 4.32Å; K329-Y336 CarbonylContact O-C 3.56Å; K329-Y336 WeakPolarHBondContact O-CA 3.46Å; K330-Y336 HydrophobicContact CB-CD1 3.72Å; K330-Y336 HydrophobicContact CB-CE1 3.79Å; K330-Y336 HydrophobicContact CD-CD1 4.13Å; K330-Y336 HydrophobicContact CD-CE1 3.68Å; K330-Y336 HydrophobicContact CD-CE2 4.16Å; K330-Y336 HydrophobicContact CG-CD1 3.59Å; K330-Y336 HydrophobicContact CG-CD2 4.41Å; K330-Y336 HydrophobicContact CG-CE1 3.65Å; K330-Y336 HydrophobicContact CG-CE2 4.45Å; K330-Y336 HydrophobicContact CG-CG 4Å; Y336-L346 CarbonylContact O-C 3.58Å; Y336-L346 WeakPolarHBondContact O-CA 3.4Å; Y336-F347 HydrophobicContact CD2-CE2 4.09Å; Y336-F347 HydrophobicContact CD2-CZ 4.42Å; Y336-F347 HydrophobicContact CG-CE2 4.46Å; Y336-F347 PolarHBondContact N-O 2.79Å; Y336-F347 WeakPolarHBondContact O-CD1 3.46Å; Y336-F347 PolarHBondContact O-N 3.3Å; Y336-V352 HydrophobicContact CD2-CG2 4.21Å; Y336-V352 HydrophobicContact CE2-CG2 4.25Å |
| 337 | E | 96.5 | Very high | 93.8 | Very high | 67 Ų | 67 | 50.6 Ų | 50.6 | 31% | 0.313 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 131.6 | 171 | -164 | -177 | 163.3 | 0 | 0 | 108 | V327 I328 K329 T344 L346 | V327-E337 CarbonylContact C-O 3.58Å; I328-E337 PolarHBondContact N-O 3.31Å; K329-E337 HydrophobicContact CB-CB 3.84Å; K329-E337 PolarHBondContact N-O 3.16Å; K329-E337 PolarHBondContact O-N 2.77Å; E337-T344 HydrophobicContact CG-CG2 4.34Å; E337-L346 HydrophobicContact CB-CD2 3.92Å; E337-L346 HydrophobicContact CG-CD2 4.2Å |
| 338 | G | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.1 | 177.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y326 T344 G345 | Y326-G338 CarbonylContact O-C 3.44Å; Y326-G338 WeakPolarHBondContact O-CA 3.17Å; G338-T344 WeakPolarHBondContact O-CA 3.35Å; G338-G345 PolarHBondContact N-O 3Å; G338-G345 VanDerWaalsContact N-O 3.1Å; G338-G345 PolarHBondContact O-N 3.24Å |
| 339 | V | 95.3 | Very high | 93.7 | Very high | 9 Ų | 9 | 48 Ų | 48 | 6% | 0.055 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 132.7 | -173.2 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | W294 P296 Y326 I328 V343 T344 | W294-V339 HydrophobicContact CE3-CG1 4Å; W294-V339 HydrophobicContact CZ3-CG1 4.2Å; P296-V339 HydrophobicContact CG-CB 4.27Å; P296-V339 HydrophobicContact CG-CG2 4.27Å; Y326-V339 PolarHBondContact N-O 3.48Å; Y326-V339 PolarHBondContact O-N 3.32Å; I328-V339 HydrophobicContact CD1-CG2 3.57Å; I328-V339 HydrophobicContact CG1-CG2 4.37Å; V339-V343 WeakPolarHBondContact CA-O 3.41Å; V339-T344 HydrophobicContact CG2-CG2 4.08Å |
| 340 | M | 93.1 | Very high | 93.8 | Very high | 25 Ų | 25 | 45.8 Ų | 45.8 | 12% | 0.123 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 129.6 | 169 | -178.3 | -166.5 | 61.7 | 0 | 0 | 109.2 | L317 S318 F319 A323 I325 G342 V343 | L317-M340 HydrophobicContact CD1-CB 4.46Å; L317-M340 HydrophobicContact CD1-CE 4.47Å; L317-M340 HydrophobicContact CD2-CB 4.11Å; S318-M340 WeakPolarHBondContact O-CE 3.48Å; F319-M340 HydrophobicContact CB-CE 3.83Å; F319-M340 HydrophobicContact CB-SD 3.69Å; A323-M340 HydrophobicContact CB-SD 3.76Å; I325-M340 HydrophobicContact CG1-CB 4.34Å; I325-M340 HydrophobicContact CG2-CB 4.46Å; M340-G342 PolarHBondContact O-N 3.18Å; M340-G342 VanDerWaalsContact O-N 3.14Å; M340-V343 PolarHBondContact N-O 3.29Å; M340-V343 PolarHBondContact O-N 2.83Å |
| 341 | N | 87.8 | Confident | 93.8 | Very high | 109 Ų | 109 | 42 Ų | 42 | 58% | 0.583 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 32.6 | -180 | -59.6 | -45.3 | 0 | 0 | 0 | 114 | W294 V343 | W294-N341 VanDerWaalsContact CE3-N 3.34Å; W294-N341 WeakPolarHBondContact CZ2-OD1 3.44Å; N341-V343 VanDerWaalsContact C-N 3.28Å; N341-V343 PolarHBondContact O-N 3.27Å |
| 342 | G | 88.3 | Confident | 93.7 | Very high | 45 Ų | 45 | 40.8 Ų | 40.8 | 46% | 0.464 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 4.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | W294 M340 | W294-G342 VanDerWaalsContact CE3-N 3.32Å; M340-G342 PolarHBondContact O-N 3.18Å; M340-G342 VanDerWaalsContact O-N 3.14Å |
| 343 | V | 92.9 | Very high | 93.8 | Very high | 83 Ų | 83 | 38 Ų | 38 | 50% | 0.503 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 122 | 173.3 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | L317 V339 M340 N341 | L317-V343 HydrophobicContact CD1-CB 4.1Å; L317-V343 HydrophobicContact CD1-CG1 3.86Å; L317-V343 WeakPolarHBondContact CD1-O 3.3Å; V339-V343 WeakPolarHBondContact CA-O 3.41Å; M340-V343 PolarHBondContact N-O 3.29Å; M340-V343 PolarHBondContact O-N 2.83Å; N341-V343 VanDerWaalsContact C-N 3.28Å; N341-V343 PolarHBondContact O-N 3.27Å |
| 344 | T | 94.9 | Very high | 93.8 | Very high | 79 Ų | 79 | 38.5 Ų | 38.5 | 49% | 0.485 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 144.2 | 170.9 | -41.8 | 0 | 0 | 0 | 0 | 110.6 | E337 G338 V339 | E337-T344 HydrophobicContact CG-CG2 4.34Å; G338-T344 WeakPolarHBondContact O-CA 3.35Å; V339-T344 HydrophobicContact CG2-CG2 4.08Å |
| 345 | G | 96 | Very high | 93.3 | Very high | 7 Ų | 7 | 39.6 Ų | 39.6 | 7% | 0.072 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.9 | 174.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | D315 G338 | D315-G345 CarbonylContact O-C 3.46Å; D315-G345 WeakPolarHBondContact O-CA 3.36Å; G338-G345 PolarHBondContact N-O 3Å; G338-G345 VanDerWaalsContact N-O 3.1Å; G338-G345 PolarHBondContact O-N 3.24Å |
| 346 | L | 96.6 | Very high | 92 | Very high | 40 Ų | 40 | 44.5 Ų | 44.5 | 21% | 0.209 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 142 | 175.7 | -68.3 | 174.5 | 0 | 0 | 0 | 112 | D315 E316 L317 W335 Y336 E337 | D315-L346 PolarHBondContact O-N 3.23Å; E316-L346 CarbonylContact C-O 3.51Å; E316-L346 WeakPolarHBondContact CA-O 3.19Å; E316-L346 HydrophobicContact CG-CB 4.41Å; L317-L346 PolarHBondContact N-O 3.19Å; W335-L346 HydrophobicContact CE3-CB 4.14Å; Y336-L346 CarbonylContact O-C 3.58Å; Y336-L346 WeakPolarHBondContact O-CA 3.4Å; E337-L346 HydrophobicContact CB-CD2 3.92Å; E337-L346 HydrophobicContact CG-CD2 4.2Å |
| 347 | F | 96.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 155.5 | 174.3 | 61.8 | -87.6 | 0 | 0 | 0 | 113.1 | V303 Y309 L317 F319 I325 V327 W335 Y336 G349 V352 | V303-F347 HydrophobicContact CG2-CE2 4.44Å; V303-F347 HydrophobicContact CG2-CZ 4.28Å; Y309-F347 HydrophobicContact CD1-CB 4.34Å; Y309-F347 HydrophobicContact CE1-CB 4.36Å; L317-F347 HydrophobicContact CB-CD1 4.45Å; L317-F347 HydrophobicContact CD2-CD1 4.05Å; L317-F347 HydrophobicContact CD2-CE1 4.38Å; F319-F347 HydrophobicContact CE1-CB 3.59Å; F319-F347 HydrophobicContact CE1-CD2 4.06Å; F319-F347 AromaticContact CE1-CG 3.89Å; F319-F347 HydrophobicContact CE1-CG 3.89Å; F319-F347 HydrophobicContact CZ-CB 4.25Å; F319-F347 HydrophobicContact CZ-CD2 4.22Å; F319-F347 HydrophobicContact CZ-CG 4.48Å; I325-F347 HydrophobicContact CB-CZ 4.36Å; I325-F347 HydrophobicContact CD1-CE1 4.46Å; I325-F347 HydrophobicContact CD1-CE2 4.31Å; I325-F347 HydrophobicContact CD1-CZ 4.26Å; I325-F347 HydrophobicContact CG2-CE1 3.65Å; I325-F347 HydrophobicContact CG2-CZ 3.81Å; V327-F347 HydrophobicContact CG2-CZ 4.13Å; W335-F347 WeakPolarHBondContact CA-O 3.38Å; W335-F347 VanDerWaalsContact CE3-C 3.42Å; Y336-F347 HydrophobicContact CD2-CE2 4.09Å; Y336-F347 HydrophobicContact CD2-CZ 4.42Å; Y336-F347 HydrophobicContact CG-CE2 4.46Å; Y336-F347 PolarHBondContact N-O 2.79Å; Y336-F347 WeakPolarHBondContact O-CD1 3.46Å; Y336-F347 PolarHBondContact O-N 3.3Å; F347-G349 PolarHBondContact O-N 3.36Å; F347-V352 HydrophobicContact CD2-CG1 4.05Å; F347-V352 HydrophobicContact CE2-CB 4.42Å; F347-V352 HydrophobicContact CE2-CG1 3.63Å; F347-V352 HydrophobicContact CE2-CG2 3.89Å |
| 348 | P | 95.9 | Very high | 87 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.013 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 119.8 | 179.6 | 29.2 | -37.9 | 0 | 0 | 0 | 111.9 | P80 Y309 N350 Y351 | P80-P348 HydrophobicContact CG-CB 3.37Å; Y309-P348 HydrophobicContact CD1-CG 4.32Å; Y309-P348 HydrophobicContact CD2-CG 3.86Å; Y309-P348 VanDerWaalsContact CE1-CD 3.49Å; Y309-P348 HydrophobicContact CE1-CG 4.32Å; Y309-P348 HydrophobicContact CE2-CG 3.89Å; Y309-P348 HydrophobicContact CG-CG 4.12Å; P348-N350 PolarHBondContact O-N 3.09Å; P348-N350 VanDerWaalsContact O-N 3.11Å; P348-Y351 HydrophobicContact CB-CD2 3.52Å; P348-Y351 HydrophobicContact CB-CE2 3.89Å; P348-Y351 HydrophobicContact CB-CG 4.37Å; P348-Y351 HydrophobicContact CG-CD1 4.43Å; P348-Y351 HydrophobicContact CG-CD2 3.26Å; P348-Y351 HydrophobicContact CG-CE2 3.71Å; P348-Y351 HydrophobicContact CG-CG 3.68Å; P348-Y351 WeakPolarHBondContact O-CB 3.36Å; P348-Y351 PolarHBondContact O-N 3.09Å |
| 349 | G | 93.9 | Very high | 84.1 | Confident | 11 Ų | 11 | 56.9 Ų | 56.9 | 11% | 0.113 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -65.6 | -15.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | G334 F347 Y351 V352 | G334-G349 PolarHBondContact O-N 3.35Å; F347-G349 PolarHBondContact O-N 3.36Å; G349-Y351 VanDerWaalsContact C-N 3.3Å; G349-V352 VanDerWaalsContact O-CG2 3.29Å; G349-V352 WeakPolarHBondContact O-CG2 3.46Å |
| 350 | N | 95.2 | Very high | 81.2 | Confident | 55 Ų | 55 | 64.5 Ų | 64.5 | 29% | 0.294 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -86.7 | 6.5 | 174.1 | 64.3 | -31.7 | 0 | 0 | 0 | 114.3 | P77 P78 P80 P348 | P77-N350 WeakPolarHBondContact CG-O 3.49Å; P78-N350 PolarHBondContact O-ND2 3.31Å; P80-N350 WeakPolarHBondContact CD-OD1 3.47Å; P348-N350 PolarHBondContact O-N 3.09Å; P348-N350 VanDerWaalsContact O-N 3.11Å |
| 351 | Y | 94.4 | Very high | 80.6 | Confident | 1 Ų | 1 | 66.5 Ų | 66.5 | 0% | 0.004 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -98.1 | -0.2 | 172.8 | -75.6 | -111.9 | 0 | 0 | 0 | 112.5 | K76 P77 A305 I306 Y307 Y309 P348 G349 | K76-Y351 HydrophobicContact CD-CE1 4.07Å; K76-Y351 WeakPolarHBondContact CD-OH 3.5Å; K76-Y351 WeakPolarHBondContact CE-OH 3.24Å; K76-Y351 HydrophobicContact CG-CE1 3.69Å; K76-Y351 VanDerWaalsContact CG-OH 3.3Å; K76-Y351 WeakPolarHBondContact CG-OH 3.33Å; P77-Y351 HydrophobicContact CG-CD2 4.05Å; P77-Y351 HydrophobicContact CG-CE1 4.32Å; P77-Y351 HydrophobicContact CG-CE2 3.8Å; P77-Y351 HydrophobicContact CG-CG 4.43Å; P77-Y351 PolarHBondContact O-OH 2.95Å; A305-Y351 WeakPolarHBondContact CA-O 3.37Å; I306-Y351 WeakPolarHBondContact CG1-O 2.99Å; I306-Y351 PolarHBondContact N-O 2.92Å; Y307-Y351 HydrophobicContact CD2-CD1 4.5Å; Y309-Y351 HydrophobicContact CD2-CD1 4.49Å; Y309-Y351 HydrophobicContact CD2-CE1 4.46Å; P348-Y351 HydrophobicContact CB-CD2 3.52Å; P348-Y351 HydrophobicContact CB-CE2 3.89Å; P348-Y351 HydrophobicContact CB-CG 4.37Å; P348-Y351 HydrophobicContact CG-CD1 4.43Å; P348-Y351 HydrophobicContact CG-CD2 3.26Å; P348-Y351 HydrophobicContact CG-CE2 3.71Å; P348-Y351 HydrophobicContact CG-CG 3.68Å; P348-Y351 WeakPolarHBondContact O-CB 3.36Å; P348-Y351 PolarHBondContact O-N 3.09Å; G349-Y351 VanDerWaalsContact C-N 3.3Å |
| 352 | V | 92.8 | Very high | 80.2 | Confident | 14 Ų | 14 | 64.3 Ų | 64.3 | 9% | 0.085 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 159.1 | -177.8 | -59.7 | 0 | 0 | 0 | 0 | 111.2 | V303 V304 F319 I325 Y336 F347 G349 | V303-V352 HydrophobicContact CB-CB 3.93Å; V303-V352 HydrophobicContact CB-CG2 4.03Å; V303-V352 HydrophobicContact CG1-CG2 4.37Å; V303-V352 HydrophobicContact CG2-CB 3.79Å; V303-V352 HydrophobicContact CG2-CG1 3.94Å; V303-V352 HydrophobicContact CG2-CG2 3.87Å; V304-V352 CarbonylContact O-C 3.53Å; V304-V352 WeakPolarHBondContact O-CA 3.41Å; F319-V352 HydrophobicContact CZ-CG1 4.27Å; I325-V352 HydrophobicContact CD1-CG1 4.17Å; Y336-V352 HydrophobicContact CD2-CG2 4.21Å; Y336-V352 HydrophobicContact CE2-CG2 4.25Å; F347-V352 HydrophobicContact CD2-CG1 4.05Å; F347-V352 HydrophobicContact CE2-CB 4.42Å; F347-V352 HydrophobicContact CE2-CG1 3.63Å; F347-V352 HydrophobicContact CE2-CG2 3.89Å; G349-V352 VanDerWaalsContact O-CG2 3.29Å; G349-V352 WeakPolarHBondContact O-CG2 3.46Å |
| 353 | E | 91.2 | Very high | 79.8 | Confident | 121 Ų | 121 | 65.3 Ų | 65.3 | 57% | 0.565 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 144.7 | 172.5 | -173.7 | 167.7 | -155.8 | 0 | 0 | 110.3 | V303 V304 I306 I355 | V303-E353 CarbonylContact C-O 3.57Å; V303-E353 VanDerWaalsContact CA-O 3.31Å; V303-E353 WeakPolarHBondContact CA-O 3.45Å; V303-E353 WeakPolarHBondContact CB-O 3.33Å; V304-E353 HydrophobicContact CG1-CB 4.35Å; V304-E353 PolarHBondContact N-O 3.28Å; V304-E353 PolarHBondContact O-N 3.17Å; I306-E353 HydrophobicContact CG2-CB 3.79Å; E353-I355 PolarHBondContact O-N 3.3Å |
| 354 | S | 89.5 | Confident | 79 | Confident | 46 Ų | 46 | 64.3 Ų | 64.3 | 32% | 0.322 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 122.3 | 177.5 | -64.7 | 0 | 0 | 0 | 0 | 112 | E301 M356 | E301-S354 VanDerWaalsContact CD-OG 3.31Å; E301-S354 WeakPolarHBondContact OE1-CB 3.38Å; E301-S354 PolarHBondContact OE1-OG 3.41Å; S354-M356 PolarHBondContact O-N 3.14Å |
| 355 | I | 81.9 | Confident | 78 | Confident | 51 Ų | 51 | 63.4 Ų | 63.4 | 26% | 0.262 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -73.6 | -16.6 | 173.8 | -64.2 | 164 | 0 | 0 | 0 | 111.1 | K302 V304 I324 E353 H357 | K302-I355 HydrophobicContact CB-CB 4.46Å; K302-I355 HydrophobicContact CB-CD1 4.35Å; K302-I355 HydrophobicContact CG-CD1 3.98Å; K302-I355 WeakPolarHBondContact O-CB 3.34Å; K302-I355 PolarHBondContact O-N 3.21Å; V304-I355 HydrophobicContact CB-CD1 3.99Å; V304-I355 HydrophobicContact CB-CG1 3.9Å; V304-I355 HydrophobicContact CG1-CG1 4.03Å; I324-I355 HydrophobicContact CD1-CD1 3.75Å; I324-I355 HydrophobicContact CG2-CD1 4.06Å; E353-I355 PolarHBondContact O-N 3.3Å; I355-H357 PolarHBondContact O-N 3.17Å |
| 356 | M | 66.4 | Low | 76.8 | Confident | 119 Ų | 119 | 67.1 Ų | 67.1 | 59% | 0.586 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 20.4 | 178.1 | -54.3 | -61.6 | -77.9 | 0 | 0 | 115.3 | E301 S354 | E301-M356 HydrophobicContact CG-CG 3.94Å; S354-M356 PolarHBondContact O-N 3.14Å |
| 357 | H | 48.4 | Very low | 75.4 | Confident | 114 Ų | 114 | 69.1 Ų | 69.1 | 53% | 0.528 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 6.9 | 174.8 | -121.7 | 104.9 | 0 | 0 | 0 | 113.8 | I355 | I355-H357 PolarHBondContact O-N 3.17Š|
| 358 | Y | 40.3 | Very low | 73.8 | Confident | 181 Ų | 181 | 74.4 Ų | 74.4 | 71% | 0.71 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -130.3 | 43.8 | -172.4 | -65.3 | -76.3 | 0 | 0 | 0 | 114.4 | ||
| 359 | S | 34.5 | Very low | 71.9 | Confident | 83 Ų | 83 | 80.4 Ų | 80.4 | 58% | 0.58 | 40% | 0.403 | S | S | * | . | trans | -141.3 | 113.5 | 170.4 | 36.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 360 | E | 34.9 | Very low | 69.9 | Low | 169 Ų | 169 | 86.7 Ų | 86.7 | 79% | 0.79 | 43% | 0.43 | S | S | * | . | trans | 67.5 | 0 | 162.7 | -148.9 | -171 | -126.5 | 0 | 0 | 121.4 | R34 P36 | R34-E360 IonicContact CZ-OE2 2.68Å; R34-E360 IonicContact NH1-OE2 2.66Å; R34-E360 PolarHBondContact NH1-OE2 2.63Å; R34-E360 PolarHBondContact NH2-O 2.77Å; R34-E360 IonicContact NH2-OE2 2.64Å; R34-E360 PolarHBondContact NH2-OE2 2.72Å; P36-E360 WeakPolarHBondContact CA-OXT 3.49Å; P36-E360 WeakPolarHBondContact CB-OXT 3.29Å |
Retrieved 360 of 360 residues in 172.4 ms
(Link to these results)