| 1 | M | 72.8 | Confident | 80.7 | Confident | 228 Ų | 228 | 120.7 Ų | 120.7 | 100% | 1.123 | 79% | 0.788 | S | S | * | * | | | | 0 | 130.8 | 0 | -68 | -59.2 | -79.6 | 0 | 0 | 108.3 | | |
| 2 | P | 71.1 | Confident | 80.8 | Confident | 124 Ų | 124 | 120.9 Ų | 120.9 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 146.3 | 168.9 | -18.5 | 32.1 | 0 | 0 | 0 | 110.4 | | |
| 3 | A | 74.8 | Confident | 80.7 | Confident | 91 Ų | 91 | 120.3 Ų | 120.3 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -66 | 144.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 4 | P | 82.7 | Confident | 80.7 | Confident | 114 Ų | 114 | 120.1 Ų | 120.1 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 147.1 | 174.5 | 27.9 | -34.3 | 0 | 0 | 0 | 110.4 | | |
| 5 | P | 83.1 | Confident | 80.3 | Confident | 114 Ų | 114 | 119.2 Ų | 119.2 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -62 | 148.2 | 177.1 | 27.3 | -34.7 | 0 | 0 | 0 | 110.8 | | |
| 6 | P | 85.1 | Confident | 79.7 | Confident | 115 Ų | 115 | 119.3 Ų | 119.3 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 149 | 176.7 | 27.1 | -34.7 | 0 | 0 | 0 | 110.8 | | |
| 7 | P | 85.3 | Confident | 78.7 | Confident | 116 Ų | 116 | 117.7 Ų | 117.7 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 148.8 | 176.5 | 27.7 | -34.8 | 0 | 0 | 0 | 110.7 | | |
| 8 | P | 84.1 | Confident | 77.6 | Confident | 116 Ų | 116 | 120.3 Ų | 120.3 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 147.3 | 175.7 | 27.1 | -34.6 | 0 | 0 | 0 | 110.6 | | |
| 9 | P | 85 | Confident | 76.5 | Confident | 116 Ų | 116 | 117.7 Ų | 117.7 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 152.7 | 178 | 27 | -34.7 | 0 | 0 | 0 | 111.1 | G11 | P9-G11 PolarHBondContact O-N 3.2Š|
| 10 | P | 83.8 | Confident | 75.5 | Confident | 130 Ų | 130 | 119.1 Ų | 119.1 | 84% | 0.844 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 138.3 | 173.5 | -23.8 | 33.9 | 0 | 0 | 0 | 111.4 | | |
| 11 | G | 80.4 | Confident | 74.4 | Confident | 64 Ų | 64 | 116.9 Ų | 116.9 | 66% | 0.66 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 153 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | P9 | P9-G11 PolarHBondContact O-N 3.2Š|
| 12 | P | 81.1 | Confident | 73.7 | Confident | 123 Ų | 123 | 112.8 Ų | 112.8 | 80% | 0.799 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 147.9 | 177.2 | 26.3 | -34.6 | 0 | 0 | 0 | 110.7 | | |
| 13 | P | 80.2 | Confident | 73 | Confident | 113 Ų | 113 | 112.4 Ų | 112.4 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 149 | 177.2 | 26.3 | -34.6 | 0 | 0 | 0 | 110.6 | | |
| 14 | P | 79.9 | Confident | 72.4 | Confident | 117 Ų | 117 | 115.7 Ų | 115.7 | 76% | 0.76 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 144.4 | 177.9 | 26 | -34.5 | 0 | 0 | 0 | 110.3 | | |
| 15 | P | 74.8 | Confident | 71.7 | Confident | 107 Ų | 107 | 119.1 Ų | 119.1 | 70% | 0.695 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 143.6 | 179.1 | 25.7 | -34.5 | 0 | 0 | 0 | 110.2 | T17 | P15-T17 PolarHBondContact O-N 3.41Š|
| 16 | P | 70.8 | Confident | 71.1 | Confident | 120 Ų | 120 | 117.3 Ų | 117.3 | 78% | 0.779 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -59 | 116.5 | 177.5 | 24.7 | -33.3 | 0 | 0 | 0 | 109.2 | | |
| 17 | T | 62.7 | Low | 70.8 | Confident | 93 Ų | 93 | 118.5 Ų | 118.5 | 57% | 0.571 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 135.7 | 176.4 | 52.9 | 0 | 0 | 0 | 0 | 109 | P15 A19 L20 | P15-T17 PolarHBondContact O-N 3.41Å; T17-A19 PolarHBondContact O-N 3.07Å; T17-L20 PolarHBondContact O-N 3.39Å |
| 18 | L | 58.5 | Low | 70.4 | Confident | 164 Ų | 164 | 114.5 Ų | 114.5 | 86% | 0.859 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -60.4 | -7.5 | 177.6 | -63.8 | 175.5 | 0 | 0 | 0 | 113.4 | L20 A21 | L18-L20 PolarHBondContact O-N 3.19Å; L18-A21 PolarHBondContact O-N 3.48Å |
| 19 | A | 58.2 | Low | 70.5 | Confident | 72 Ų | 72 | 112.1 Ų | 112.1 | 60% | 0.595 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -65.9 | -11.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | T17 T23 | T17-A19 PolarHBondContact O-N 3.07Å; A19-T23 WeakPolarHBondContact O-CG2 3.4Å |
| 20 | L | 56.6 | Low | 70.4 | Confident | 145 Ų | 145 | 117 Ų | 117 | 76% | 0.759 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -89.6 | -6.4 | 176.8 | -77.4 | 163.5 | 0 | 0 | 0 | 114.2 | T17 L18 | T17-L20 PolarHBondContact O-N 3.39Å; L18-L20 PolarHBondContact O-N 3.19Å |
| 21 | A | 51.4 | Low | 70.6 | Confident | 72 Ų | 72 | 116.6 Ų | 116.6 | 60% | 0.595 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -104.4 | 118.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110 | L18 | L18-A21 PolarHBondContact O-N 3.48Š|
| 22 | N | 58.1 | Low | 71 | Confident | 143 Ų | 143 | 118.3 Ų | 118.3 | 77% | 0.765 | 68% | 0.676 | S | S | * | * | | | trans | 67.2 | 60.1 | -172.7 | -69.8 | -70.9 | 0 | 0 | 0 | 116.3 | | |
| 23 | T | 56.7 | Low | 71.4 | Confident | 116 Ų | 116 | 118 Ų | 118 | 71% | 0.712 | 66% | 0.664 | S | S | * | * | | | trans | -79.7 | -23.4 | 155.5 | 51.5 | 0 | 0 | 0 | 0 | 112.6 | A19 K25 | A19-T23 WeakPolarHBondContact O-CG2 3.4Å; T23-K25 PolarHBondContact O-N 3.1Å; T23-K25 VanDerWaalsContact O-N 3.16Å |
| 24 | E | 62.5 | Low | 71.8 | Confident | 160 Ų | 160 | 119.8 Ų | 119.8 | 75% | 0.748 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -69.1 | 106.5 | 170.3 | -67.4 | -111.9 | 138.5 | 0 | 0 | 109.7 | P26 | E24-P26 VanDerWaalsContact O-CD 3.32Å; E24-P26 WeakPolarHBondContact O-CD 3.44Å |
| 25 | K | 67.2 | Low | 72.4 | Confident | 185 Ų | 185 | 116.2 Ų | 116.2 | 80% | 0.804 | 65% | 0.646 | S | S | * | * | | | trans | -64.7 | 120.2 | 172.7 | -176.8 | -178.2 | -178.2 | -177.6 | 0 | 108.4 | T23 T27 | T23-K25 PolarHBondContact O-N 3.1Å; T23-K25 VanDerWaalsContact O-N 3.16Å; K25-T27 PolarHBondContact O-N 3.12Å; K25-T27 VanDerWaalsContact O-N 3.14Å |
| 26 | P | 70.6 | Confident | 73.3 | Confident | 77 Ų | 77 | 117.6 Ų | 117.6 | 50% | 0.5 | 64% | 0.638 | S | S | . | * | | | trans | -52.5 | 123.2 | -178.2 | -29.4 | 35.9 | 0 | 0 | 0 | 111.6 | E24 L28 | E24-P26 VanDerWaalsContact O-CD 3.32Å; E24-P26 WeakPolarHBondContact O-CD 3.44Å; P26-L28 HydrophobicContact CB-CD2 3.83Å; P26-L28 HydrophobicContact CB-CG 4.28Å; P26-L28 PolarHBondContact O-N 3.46Å |
| 27 | T | 78.9 | Confident | 74.3 | Confident | 140 Ų | 140 | 113.7 Ų | 113.7 | 86% | 0.859 | 62% | 0.619 | S | S | * | * | | | trans | -79.8 | 60.4 | -175.5 | 46.8 | 0 | 0 | 0 | 0 | 111.1 | K25 S29 | K25-T27 PolarHBondContact O-N 3.12Å; K25-T27 VanDerWaalsContact O-N 3.14Å; T27-S29 PolarHBondContact O-N 3.04Å |
| 28 | L | 77 | Confident | 75.7 | Confident | 32 Ų | 32 | 111.5 Ų | 111.5 | 17% | 0.168 | 61% | 0.611 | C | S | . | * | | | trans | -60.3 | 134.6 | -179.2 | -51.7 | -174.3 | 0 | 0 | 0 | 110.5 | P26 E32 Q33 | P26-L28 HydrophobicContact CB-CD2 3.83Å; P26-L28 HydrophobicContact CB-CG 4.28Å; P26-L28 PolarHBondContact O-N 3.46Å; L28-E32 WeakPolarHBondContact CA-OE2 3.44Å; L28-E32 HydrophobicContact CB-CB 4.25Å; L28-E32 HydrophobicContact CB-CG 4.01Å; L28-E32 HydrophobicContact CD1-CG 4.47Å; L28-E32 HydrophobicContact CD2-CG 4.23Å; L28-E32 WeakPolarHBondContact CD2-OE1 3.49Å; L28-E32 HydrophobicContact CG-CG 4.45Å; L28-Q33 HydrophobicContact CB-CG 3.69Å; L28-Q33 PolarHBondContact O-NE2 2.86Å |
| 29 | S | 85.2 | Confident | 77.4 | Confident | 65 Ų | 65 | 108.7 Ų | 108.7 | 46% | 0.455 | 60% | 0.596 | S | S | . | * | | | trans | -62.9 | 160.7 | 175.8 | 67.8 | 0 | 0 | 0 | 0 | 111.7 | T27 T31 E32 Q33 | T27-S29 PolarHBondContact O-N 3.04Å; S29-T31 VanDerWaalsContact C-N 3.26Å; S29-T31 PolarHBondContact O-N 3.35Å; S29-E32 PolarHBondContact N-OE2 3.46Å; S29-E32 VanDerWaalsContact N-OE2 3.12Å; S29-E32 WeakPolarHBondContact O-CB 3.34Å; S29-E32 PolarHBondContact O-N 3.41Å; S29-E32 VanDerWaalsContact OG-CB 3.24Å; S29-E32 WeakPolarHBondContact OG-CB 3.38Å; S29-E32 PolarHBondContact OG-N 2.96Å; S29-Q33 WeakPolarHBondContact O-CG 3.24Å; S29-Q33 PolarHBondContact O-N 3.49Å |
| 30 | R | 84.8 | Confident | 79.1 | Confident | 220 Ų | 220 | 109.4 Ų | 109.4 | 83% | 0.83 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -56.2 | -40 | -177.5 | -166.4 | 173.4 | -171.5 | 143.9 | 0.9 | 112.7 | Q34 | R30-Q34 PolarHBondContact O-N 2.81Å |
| 31 | T | 86.6 | Confident | 80.7 | Confident | 120 Ų | 120 | 104.5 Ų | 104.5 | 74% | 0.736 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.8 | -40.9 | 175.3 | -49 | 0 | 0 | 0 | 0 | 112 | S29 Q34 G35 | S29-T31 VanDerWaalsContact C-N 3.26Å; S29-T31 PolarHBondContact O-N 3.35Å; T31-Q34 PolarHBondContact O-N 2.88Å; T31-G35 PolarHBondContact O-N 3.01Å |
| 32 | E | 89.6 | Confident | 82.6 | Confident | 100 Ų | 100 | 105.2 Ų | 105.2 | 47% | 0.467 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -74.1 | -36.2 | -178.7 | -175.6 | 179.6 | -165 | 0 | 0 | 112.7 | L28 S29 Q34 G35 R36 | L28-E32 WeakPolarHBondContact CA-OE2 3.44Å; L28-E32 HydrophobicContact CB-CB 4.25Å; L28-E32 HydrophobicContact CB-CG 4.01Å; L28-E32 HydrophobicContact CD1-CG 4.47Å; L28-E32 HydrophobicContact CD2-CG 4.23Å; L28-E32 WeakPolarHBondContact CD2-OE1 3.49Å; L28-E32 HydrophobicContact CG-CG 4.45Å; S29-E32 PolarHBondContact N-OE2 3.46Å; S29-E32 VanDerWaalsContact N-OE2 3.12Å; S29-E32 WeakPolarHBondContact O-CB 3.34Å; S29-E32 PolarHBondContact O-N 3.41Å; S29-E32 VanDerWaalsContact OG-CB 3.24Å; S29-E32 WeakPolarHBondContact OG-CB 3.38Å; S29-E32 PolarHBondContact OG-N 2.96Å; E32-Q34 VanDerWaalsContact C-N 3.29Å; E32-Q34 PolarHBondContact O-N 3.12Å; E32-G35 PolarHBondContact O-N 3.44Å; E32-R36 VanDerWaalsContact O-CB 3.32Å; E32-R36 WeakPolarHBondContact O-CB 3.22Å; E32-R36 PolarHBondContact O-N 3.14Å |
| 33 | Q | 89.4 | Confident | 84.1 | Confident | 117 Ų | 117 | 103.8 Ų | 103.8 | 55% | 0.547 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59.3 | -42.3 | 169.6 | -69 | 179.5 | 10.3 | 0 | 0 | 111 | L28 S29 G37 | L28-Q33 HydrophobicContact CB-CG 3.69Å; L28-Q33 PolarHBondContact O-NE2 2.86Å; S29-Q33 WeakPolarHBondContact O-CG 3.24Å; S29-Q33 PolarHBondContact O-N 3.49Å; Q33-G37 PolarHBondContact O-N 2.77Å |
| 34 | Q | 89.1 | Confident | 85.6 | Confident | 150 Ų | 150 | 103.6 Ų | 103.6 | 70% | 0.701 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -70.7 | -39.3 | 177.3 | -170.7 | 156.3 | -9.6 | 0 | 0 | 112.3 | R30 T31 E32 G37 A38 | R30-Q34 PolarHBondContact O-N 2.81Å; T31-Q34 PolarHBondContact O-N 2.88Å; E32-Q34 VanDerWaalsContact C-N 3.29Å; E32-Q34 PolarHBondContact O-N 3.12Å; Q34-G37 PolarHBondContact O-N 3.15Å; Q34-A38 PolarHBondContact O-N 2.87Å |
| 35 | G | 92.1 | Very high | 87.1 | Confident | 42 Ų | 42 | 102.8 Ų | 102.8 | 43% | 0.433 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T31 E32 A38 L39 | T31-G35 PolarHBondContact O-N 3.01Å; E32-G35 PolarHBondContact O-N 3.44Å; G35-A38 PolarHBondContact O-N 3.2Å; G35-L39 WeakPolarHBondContact O-CB 3.1Å; G35-L39 PolarHBondContact O-N 3.14Å |
| 36 | R | 93.5 | Very high | 88 | Confident | 136 Ų | 136 | 96.2 Ų | 96.2 | 51% | 0.513 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 173.7 | -176.7 | 177.1 | 178.5 | -179.5 | 1.9 | 111.5 | E32 L39 L40 | E32-R36 VanDerWaalsContact O-CB 3.32Å; E32-R36 WeakPolarHBondContact O-CB 3.22Å; E32-R36 PolarHBondContact O-N 3.14Å; R36-L39 PolarHBondContact O-N 2.84Å; R36-L40 HydrophobicContact CG-CD1 3.95Å; R36-L40 HydrophobicContact CG-CG 4.31Å; R36-L40 WeakPolarHBondContact O-CB 3.48Å; R36-L40 VanDerWaalsContact O-CG 3.23Å; R36-L40 WeakPolarHBondContact O-CG 3.16Å; R36-L40 PolarHBondContact O-N 3.04Å |
| 37 | G | 92.7 | Very high | 88.6 | Confident | 38 Ų | 38 | 98.3 Ų | 98.3 | 39% | 0.392 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.9 | -45 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q33 Q34 S41 | Q33-G37 PolarHBondContact O-N 2.77Å; Q34-G37 PolarHBondContact O-N 3.15Å; G37-S41 WeakPolarHBondContact O-CB 3.32Å; G37-S41 PolarHBondContact O-N 2.82Å |
| 38 | A | 91.6 | Very high | 88.8 | Confident | 47 Ų | 47 | 103.5 Ų | 103.5 | 39% | 0.388 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.2 | -51 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q34 G35 L40 S41 D42 | Q34-A38 PolarHBondContact O-N 2.87Å; G35-A38 PolarHBondContact O-N 3.2Å; A38-L40 PolarHBondContact O-N 3.4Å; A38-S41 WeakPolarHBondContact O-CA 3.32Å; A38-S41 WeakPolarHBondContact O-CB 3.46Å; A38-S41 PolarHBondContact O-N 3.05Å; A38-S41 PolarHBondContact O-OG 2.89Å; A38-D42 PolarHBondContact O-N 3Å |
| 39 | L | 92.8 | Very high | 89.1 | Confident | 106 Ų | 106 | 109.3 Ų | 109.3 | 56% | 0.555 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -56.8 | -48.1 | 177.9 | 175.6 | 62 | 0 | 0 | 0 | 112.3 | G35 R36 S41 D42 I43 | G35-L39 WeakPolarHBondContact O-CB 3.1Å; G35-L39 PolarHBondContact O-N 3.14Å; R36-L39 PolarHBondContact O-N 2.84Å; L39-S41 VanDerWaalsContact C-N 3.29Å; L39-S41 PolarHBondContact O-N 3.34Å; L39-D42 PolarHBondContact O-N 3.24Å; L39-I43 HydrophobicContact CD1-CD1 4.03Å; L39-I43 HydrophobicContact CD1-CG1 4.31Å; L39-I43 HydrophobicContact CG-CD1 3.93Å; L39-I43 VanDerWaalsContact O-CG1 3.31Å; L39-I43 WeakPolarHBondContact O-CG1 3.43Å; L39-I43 PolarHBondContact O-N 2.99Å |
| 40 | L | 94.2 | Very high | 89.2 | Confident | 87 Ų | 87 | 115.7 Ų | 115.7 | 46% | 0.455 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -60.6 | -39.9 | 175.8 | -71.5 | 173.1 | 0 | 0 | 0 | 111.2 | R36 A38 D42 I43 C44 | R36-L40 HydrophobicContact CG-CD1 3.95Å; R36-L40 HydrophobicContact CG-CG 4.31Å; R36-L40 WeakPolarHBondContact O-CB 3.48Å; R36-L40 VanDerWaalsContact O-CG 3.23Å; R36-L40 WeakPolarHBondContact O-CG 3.16Å; R36-L40 PolarHBondContact O-N 3.04Å; A38-L40 PolarHBondContact O-N 3.4Å; L40-D42 VanDerWaalsContact C-N 3.33Å; L40-D42 PolarHBondContact O-N 2.84Å; L40-I43 PolarHBondContact O-N 2.87Å; L40-C44 WeakPolarHBondContact O-CB 3.43Å; L40-C44 PolarHBondContact O-N 3.16Å; L40-C44 PolarHBondContact O-SG 3.25Å |
| 41 | S | 91.1 | Very high | 89.2 | Confident | 42 Ų | 42 | 114.7 Ų | 114.7 | 29% | 0.294 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63.4 | -37.3 | 175.8 | 86.6 | 0 | 0 | 0 | 0 | 112.6 | G37 A38 L39 C44 K45 | G37-S41 WeakPolarHBondContact O-CB 3.32Å; G37-S41 PolarHBondContact O-N 2.82Å; A38-S41 WeakPolarHBondContact O-CA 3.32Å; A38-S41 WeakPolarHBondContact O-CB 3.46Å; A38-S41 PolarHBondContact O-N 3.05Å; A38-S41 PolarHBondContact O-OG 2.89Å; L39-S41 VanDerWaalsContact C-N 3.29Å; L39-S41 PolarHBondContact O-N 3.34Å; S41-C44 PolarHBondContact O-N 3.45Å; S41-K45 WeakPolarHBondContact O-CD 3.33Å; S41-K45 VanDerWaalsContact O-CE 3.27Å; S41-K45 WeakPolarHBondContact O-CE 3.41Å; S41-K45 WeakPolarHBondContact O-CG 3.4Å; S41-K45 PolarHBondContact O-N 2.99Å; S41-K45 PolarHBondContact OG-NZ 3.37Å |
| 42 | D | 90.5 | Very high | 89.1 | Confident | 86 Ų | 86 | 112.5 Ų | 112.5 | 46% | 0.46 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -76.6 | -33.9 | -179.8 | -68.3 | -24.2 | 0 | 0 | 0 | 112.3 | A38 L39 L40 K45 G46 | A38-D42 PolarHBondContact O-N 3Å; L39-D42 PolarHBondContact O-N 3.24Å; L40-D42 VanDerWaalsContact C-N 3.33Å; L40-D42 PolarHBondContact O-N 2.84Å; D42-K45 PolarHBondContact O-N 3.21Å; D42-K45 IonicContact OD1-NZ 3.25Å; D42-K45 PolarHBondContact OD1-NZ 2.96Å; D42-G46 PolarHBondContact O-N 2.85Å; D42-G46 VanDerWaalsContact O-N 3.08Å |
| 43 | I | 89.8 | Confident | 89 | Confident | 113 Ų | 113 | 114.3 Ų | 114.3 | 58% | 0.579 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -60.7 | -47.9 | 168.1 | -68.1 | 165.4 | 0 | 0 | 0 | 110.1 | L39 L40 G46 | L39-I43 HydrophobicContact CD1-CD1 4.03Å; L39-I43 HydrophobicContact CD1-CG1 4.31Å; L39-I43 HydrophobicContact CG-CD1 3.93Å; L39-I43 VanDerWaalsContact O-CG1 3.31Å; L39-I43 WeakPolarHBondContact O-CG1 3.43Å; L39-I43 PolarHBondContact O-N 2.99Å; L40-I43 PolarHBondContact O-N 2.87Å; I43-G46 PolarHBondContact O-N 3.04Å |
| 44 | C | 89.4 | Confident | 88.6 | Confident | 113 Ų | 113 | 114.6 Ų | 114.6 | 76% | 0.764 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68.4 | -31.6 | 179.5 | -69.6 | 0 | 0 | 0 | 0 | 113.9 | L40 S41 G46 | L40-C44 WeakPolarHBondContact O-CB 3.43Å; L40-C44 PolarHBondContact O-N 3.16Å; L40-C44 PolarHBondContact O-SG 3.25Å; S41-C44 PolarHBondContact O-N 3.45Å; C44-G46 VanDerWaalsContact C-N 3.32Å |
| 45 | K | 93.3 | Very high | 88.2 | Confident | 143 Ų | 143 | 112.7 Ų | 112.7 | 62% | 0.622 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66.4 | -36.8 | 171.5 | -72.7 | 161.9 | -145.5 | 159.3 | 0 | 111.6 | S41 D42 | S41-K45 WeakPolarHBondContact O-CD 3.33Å; S41-K45 VanDerWaalsContact O-CE 3.27Å; S41-K45 WeakPolarHBondContact O-CE 3.41Å; S41-K45 WeakPolarHBondContact O-CG 3.4Å; S41-K45 PolarHBondContact O-N 2.99Å; S41-K45 PolarHBondContact OG-NZ 3.37Å; D42-K45 PolarHBondContact O-N 3.21Å; D42-K45 IonicContact OD1-NZ 3.25Å; D42-K45 PolarHBondContact OD1-NZ 2.96Å |
| 46 | G | 85.1 | Confident | 87.7 | Confident | 47 Ų | 47 | 116.1 Ų | 116.1 | 49% | 0.485 | 63% | 0.625 | S | S | . | * | | | trans | 72.3 | 136.6 | -177 | 0 | 0 | 0 | 0 | 0 | 112.9 | D42 I43 C44 | D42-G46 PolarHBondContact O-N 2.85Å; D42-G46 VanDerWaalsContact O-N 3.08Å; I43-G46 PolarHBondContact O-N 3.04Å; C44-G46 VanDerWaalsContact C-N 3.32Å |
| 47 | T | 84.3 | Confident | 87.2 | Confident | 121 Ų | 121 | 119.4 Ų | 119.4 | 74% | 0.742 | 64% | 0.637 | S | S | * | * | | | trans | -99.5 | 120.2 | 172.2 | 53.3 | 0 | 0 | 0 | 0 | 110 | L49 | T47-L49 PolarHBondContact O-N 2.8Š|
| 48 | R | 82.4 | Confident | 86.9 | Confident | 249 Ų | 249 | 122.4 Ų | 122.4 | 94% | 0.94 | 65% | 0.652 | S | S | * | * | | | trans | -70.9 | 99.5 | 174.1 | -69.5 | -177.7 | 66.8 | 169.2 | 1.6 | 109.2 | | |
| 49 | L | 83.1 | Confident | 86.3 | Confident | 154 Ų | 154 | 122.5 Ų | 122.5 | 81% | 0.806 | 66% | 0.658 | S | S | * | * | | | trans | -60.6 | 143.6 | 173.7 | -59.3 | -179.3 | 0 | 0 | 0 | 110.3 | T47 | T47-L49 PolarHBondContact O-N 2.8Š|
| 50 | K | 87.8 | Confident | 85 | Confident | 199 Ų | 199 | 122.9 Ų | 122.9 | 87% | 0.865 | 67% | 0.667 | S | S | * | * | | | trans | -67.6 | 143.6 | 171.5 | -68.2 | -179.4 | 177.5 | 179.5 | 0 | 108.9 | A52 | K50-A52 PolarHBondContact O-N 2.84Å; K50-A52 VanDerWaalsContact O-N 3.07Å |
| 51 | K | 84.6 | Confident | 83.7 | Confident | 198 Ų | 198 | 124.4 Ų | 124.4 | 86% | 0.861 | 68% | 0.68 | S | S | * | * | | | trans | -57.2 | 115.6 | 173.6 | -177.3 | 177.4 | 179.7 | -179.9 | 0 | 109.1 | | |
| 52 | A | 84.8 | Confident | 82.3 | Confident | 74 Ų | 74 | 131.2 Ų | 131.2 | 61% | 0.612 | 70% | 0.704 | S | S | * | * | | | trans | -68.7 | 135.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | K50 T54 | K50-A52 PolarHBondContact O-N 2.84Å; K50-A52 VanDerWaalsContact O-N 3.07Å; A52-T54 PolarHBondContact O-N 3.29Å |
| 53 | V | 87.8 | Confident | 80.9 | Confident | 139 Ų | 139 | 133.9 Ų | 133.9 | 84% | 0.842 | 72% | 0.719 | S | S | * | * | | | trans | -93.5 | 89.4 | 168.3 | -179.4 | 0 | 0 | 0 | 0 | 106.8 | N55 | V53-N55 PolarHBondContact O-N 3.32Š|
| 54 | T | 81.1 | Confident | 79.7 | Confident | 122 Ų | 122 | 137.6 Ų | 137.6 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | | | trans | -73.5 | 113.1 | 173.1 | -51.4 | 0 | 0 | 0 | 0 | 108.5 | A52 D56 | A52-T54 PolarHBondContact O-N 3.29Å; T54-D56 PolarHBondContact O-N 3.11Å |
| 55 | N | 80 | Confident | 78.1 | Confident | 111 Ų | 111 | 138.1 Ų | 138.1 | 59% | 0.594 | 73% | 0.732 | S | S | * | * | | | trans | -86.2 | 84.7 | 170.1 | -171.5 | -6.6 | 0 | 0 | 0 | 108.4 | V53 R57 | V53-N55 PolarHBondContact O-N 3.32Å; N55-R57 PolarHBondContact O-N 2.92Å |
| 56 | D | 81.6 | Confident | 76.2 | Confident | 114 Ų | 114 | 141.5 Ų | 141.5 | 61% | 0.61 | 75% | 0.747 | S | S | * | * | | | trans | -74.6 | 120.8 | 174.2 | -171.6 | -1.6 | 0 | 0 | 0 | 109.8 | T54 S58 | T54-D56 PolarHBondContact O-N 3.11Å; D56-S58 WeakPolarHBondContact OD1-CB 3.47Å; D56-S58 PolarHBondContact OD1-N 3.4Å; D56-S58 PolarHBondContact OD1-OG 2.89Å |
| 57 | R | 84.6 | Confident | 74 | Confident | 205 Ų | 205 | 142.6 Ų | 142.6 | 77% | 0.774 | 76% | 0.758 | S | S | * | * | | | trans | -117.6 | 15.1 | 177.4 | -60.6 | -171.6 | -176.5 | -173.4 | 0.4 | 112.5 | N55 G59 | N55-R57 PolarHBondContact O-N 2.92Å; R57-G59 VanDerWaalsContact C-N 3.26Å; R57-G59 PolarHBondContact O-N 2.96Å |
| 58 | S | 85.3 | Confident | 72.4 | Confident | 100 Ų | 100 | 140 Ų | 140 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | | | trans | -81.5 | -0.7 | 179.4 | 67 | 0 | 0 | 0 | 0 | 114.1 | D56 | D56-S58 WeakPolarHBondContact OD1-CB 3.47Å; D56-S58 PolarHBondContact OD1-N 3.4Å; D56-S58 PolarHBondContact OD1-OG 2.89Å |
| 59 | G | 78.1 | Confident | 70.5 | Confident | 50 Ų | 50 | 134.2 Ų | 134.2 | 52% | 0.515 | 75% | 0.753 | S | S | . | * | S | Bend | trans | -62 | 137.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R57 V61 | R57-G59 VanDerWaalsContact C-N 3.26Å; R57-G59 PolarHBondContact O-N 2.96Å; G59-V61 PolarHBondContact O-N 3.36Å |
| 60 | P | 66.3 | Low | 68.7 | Low | 114 Ų | 114 | 130.5 Ų | 130.5 | 74% | 0.74 | 75% | 0.753 | S | S | * | * | | | trans | -64.5 | 119.3 | -176.4 | 25.5 | -33.8 | 0 | 0 | 0 | 111.2 | F62 | P60-F62 PolarHBondContact O-N 3.19Š|
| 61 | V | 66.9 | Low | 66.5 | Low | 119 Ų | 119 | 125 Ų | 125 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | | | trans | -77.3 | 102.9 | 172.7 | -179.5 | 0 | 0 | 0 | 0 | 108.1 | G59 D63 | G59-V61 PolarHBondContact O-N 3.36Å; V61-D63 PolarHBondContact O-N 3.27Å |
| 62 | F | 61.8 | Low | 64.5 | Low | 185 Ų | 185 | 119.7 Ų | 119.7 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | | | trans | -79 | 95 | 166.3 | -86.5 | -84 | 0 | 0 | 0 | 109.5 | P60 K64 | P60-F62 PolarHBondContact O-N 3.19Å; F62-K64 PolarHBondContact O-N 2.89Å |
| 63 | D | 61.2 | Low | 62.5 | Low | 142 Ų | 142 | 120 Ų | 120 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | | | trans | -64.5 | 101.5 | 163.4 | -73.9 | -40.8 | 0 | 0 | 0 | 108.9 | V61 | V61-D63 PolarHBondContact O-N 3.27Š|
| 64 | K | 65.1 | Low | 60.5 | Low | 191 Ų | 191 | 119.6 Ų | 119.6 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | | | trans | -62 | 124.9 | 169.3 | -77.3 | 178.3 | 174.7 | 177.1 | 0 | 108 | F62 K66 | F62-K64 PolarHBondContact O-N 2.89Å; K64-K66 PolarHBondContact O-N 3.33Å |
| 65 | P | 55.3 | Low | 58.7 | Low | 124 Ų | 124 | 116.8 Ų | 116.8 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | | | trans | -59.2 | 137.5 | 175.8 | 24.6 | -33 | 0 | 0 | 0 | 109.6 | G67 | P65-G67 VanDerWaalsContact C-N 3.28Å; P65-G67 PolarHBondContact O-N 2.83Å |
| 66 | K | 52.4 | Low | 56.9 | Low | 213 Ų | 213 | 119.1 Ų | 119.1 | 93% | 0.926 | 78% | 0.781 | S | S | * | * | | | trans | -68.8 | 78.2 | -173.8 | -173.8 | -179.9 | 177 | 178.4 | 0 | 111.4 | K64 | K64-K66 PolarHBondContact O-N 3.33Š|
| 67 | G | 40.6 | Very low | 54.9 | Low | 70 Ų | 70 | 117.1 Ų | 117.1 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | | | trans | -70.7 | 123.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | P65 | P65-G67 VanDerWaalsContact C-N 3.28Å; P65-G67 PolarHBondContact O-N 2.83Å |
| 68 | G | 49 | Very low | 52.8 | Low | 66 Ų | 66 | 111.5 Ų | 111.5 | 68% | 0.68 | 79% | 0.793 | S | S | * | * | | | trans | -79.4 | -176.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 69 | S | 44 | Very low | 50.8 | Low | 128 Ų | 128 | 110.1 Ų | 110.1 | 90% | 0.895 | 79% | 0.794 | S | S | * | * | | | trans | 75.5 | 140 | -165.8 | 78.9 | 0 | 0 | 0 | 0 | 114 | | |
| 70 | G | 45.1 | Very low | 49.2 | Very low | 77 Ų | 77 | 113.3 Ų | 113.3 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | | | cis | 127.3 | 122.4 | 1.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 71 | G | 41.3 | Very low | 48.1 | Very low | 82 Ų | 82 | 112 Ų | 112 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | | | trans | 99.5 | 127.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 72 | G | 43.5 | Very low | 46.8 | Very low | 87 Ų | 87 | 110.1 Ų | 110.1 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | | | trans | -90.9 | 169.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 73 | G | 42.2 | Very low | 46.1 | Very low | 81 Ų | 81 | 107.9 Ų | 107.9 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | | | trans | -172.5 | 120.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 74 | S | 45.4 | Very low | 45.2 | Very low | 130 Ų | 130 | 104.9 Ų | 104.9 | 91% | 0.909 | 83% | 0.83 | S | S | * | * | | | trans | -85.3 | 151.4 | -176.5 | -57.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 75 | G | 42.7 | Very low | 44.4 | Very low | 64 Ų | 64 | 99.9 Ų | 99.9 | 66% | 0.66 | 83% | 0.834 | S | S | * | * | | | trans | 102 | 145.4 | 132.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 76 | V | 41.8 | Very low | 43.8 | Very low | 159 Ų | 159 | 97.8 Ų | 97.8 | 96% | 0.964 | 83% | 0.834 | S | S | * | * | | | trans | 58.7 | 148.2 | 161.7 | -47.4 | 0 | 0 | 0 | 0 | 117.6 | | |
| 77 | G | 40.7 | Very low | 43.7 | Very low | 73 Ų | 73 | 98.1 Ų | 98.1 | 75% | 0.753 | 84% | 0.836 | S | S | * | * | | | cis | 158.8 | 133.7 | -8.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 78 | G | 40.8 | Very low | 44.2 | Very low | 87 Ų | 87 | 98.5 Ų | 98.5 | 90% | 0.897 | 84% | 0.84 | S | S | * | * | | | trans | 73.5 | 158.6 | 160.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 79 | G | 42.4 | Very low | 44.1 | Very low | 70 Ų | 70 | 99.5 Ų | 99.5 | 72% | 0.722 | 85% | 0.85 | S | S | * | * | | | trans | 110.4 | 79.5 | 144.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 80 | S | 43.9 | Very low | 44.4 | Very low | 118 Ų | 118 | 96.9 Ų | 96.9 | 83% | 0.825 | 84% | 0.844 | S | S | * | * | | | trans | 27.5 | 118.1 | 132.2 | 56.6 | 0 | 0 | 0 | 0 | 121.4 | | |
| 81 | G | 43.1 | Very low | 44.5 | Very low | 86 Ų | 86 | 99 Ų | 99 | 89% | 0.887 | 85% | 0.846 | S | S | * | * | | | | 62.9 | 129.4 | 118.8 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 82 | G | 40.8 | Very low | 45 | Very low | 79 Ų | 79 | 101 Ų | 101 | 81% | 0.814 | 84% | 0.844 | S | S | * | * | | | trans | 165.4 | 119 | 165.4 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 83 | S | 47.3 | Very low | 45.7 | Very low | 138 Ų | 138 | 102.3 Ų | 102.3 | 97% | 0.965 | 85% | 0.847 | S | S | * | * | | | trans | -63.8 | 146.7 | 172.6 | -51.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 84 | G | 41 | Very low | 46.2 | Very low | 79 Ų | 79 | 101.7 Ų | 101.7 | 81% | 0.814 | 84% | 0.84 | S | S | * | * | | | trans | 179.8 | 124.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 85 | G | 48.8 | Very low | 46.9 | Very low | 87 Ų | 87 | 104.5 Ų | 104.5 | 90% | 0.897 | 84% | 0.844 | S | S | * | * | | | trans | -78.4 | 156.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 86 | G | 43.9 | Very low | 47.5 | Very low | 79 Ų | 79 | 104.1 Ų | 104.1 | 81% | 0.814 | 84% | 0.84 | S | S | * | * | | | trans | -158.9 | 93.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 87 | F | 49.8 | Very low | 48.4 | Very low | 220 Ų | 220 | 99.9 Ų | 99.9 | 97% | 0.965 | 83% | 0.829 | S | S | * | * | | | trans | -82.6 | 128.6 | 164 | -62.6 | -87.4 | 0 | 0 | 0 | 108.4 | | |
| 88 | G | 50.2 | Low | 49.5 | Very low | 79 Ų | 79 | 103.3 Ų | 103.3 | 81% | 0.814 | 83% | 0.829 | S | S | * | * | | | trans | 170.3 | 127.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 89 | G | 47 | Very low | 50.6 | Low | 86 Ų | 86 | 106.1 Ų | 106.1 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | | | trans | 94.3 | 111 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 90 | G | 50.2 | Low | 51.4 | Low | 74 Ų | 74 | 107.4 Ų | 107.4 | 76% | 0.763 | 82% | 0.821 | S | S | * | * | | | cis | 129.4 | 96.9 | 2 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 91 | S | 48.2 | Very low | 52.4 | Low | 121 Ų | 121 | 105.7 Ų | 105.7 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | | | trans | -170.6 | 160.3 | 172.3 | -89.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 92 | P | 50.5 | Low | 54 | Low | 124 Ų | 124 | 104 Ų | 104 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | | | | -90.3 | 171.2 | -116.6 | 32.2 | -37 | 0 | 0 | 0 | 115.4 | G94 | P92-G94 PolarHBondContact O-N 3.18Š|
| 93 | A | 58.9 | Low | 55.7 | Low | 114 Ų | 114 | 107.6 Ų | 107.6 | 94% | 0.942 | 80% | 0.802 | S | S | * | * | | | trans | -59 | 114.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 94 | G | 52.6 | Low | 56.7 | Low | 68 Ų | 68 | 106.5 Ų | 106.5 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | | | trans | -159.8 | 100.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | P92 | P92-G94 PolarHBondContact O-N 3.18Š|
| 95 | L | 59.5 | Low | 58.4 | Low | 190 Ų | 190 | 112.6 Ų | 112.6 | 100% | 0.995 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 25.2 | 99.8 | 163.6 | -77.5 | 156.3 | 0 | 0 | 0 | 118.2 | | |
| 96 | G | 55.4 | Low | 59.2 | Low | 55 Ų | 55 | 116.3 Ų | 116.3 | 57% | 0.567 | 79% | 0.794 | S | S | * | * | | | trans | 121 | 81.9 | 152.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | L98 | G96-L98 PolarHBondContact O-N 3.29Š|
| 97 | G | 61.6 | Low | 60.3 | Low | 71 Ų | 71 | 123.2 Ų | 123.2 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | G | 310 helix | trans | -68.5 | 23.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | F99 | G97-F99 PolarHBondContact O-N 3.5Š|
| 98 | L | 64.4 | Low | 60.6 | Low | 145 Ų | 145 | 117.8 Ų | 117.8 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -70 | -14.7 | -173.8 | -63.3 | 107.8 | 0 | 0 | 0 | 114.1 | G96 | G96-L98 PolarHBondContact O-N 3.29Š|
| 99 | F | 63.5 | Low | 60.7 | Low | 145 Ų | 145 | 119.4 Ų | 119.4 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | G | 310 helix | trans | -125.7 | 20.9 | -178.7 | -57.9 | -72 | 0 | 0 | 0 | 113.6 | G97 G101 G102 M103 | G97-F99 PolarHBondContact O-N 3.5Å; F99-G101 PolarHBondContact O-N 3.42Å; F99-G102 PolarHBondContact O-N 2.7Å; F99-M103 HydrophobicContact CE1-CE 4.44Å |
| 100 | A | 58.8 | Low | 61 | Low | 97 Ų | 97 | 118.9 Ų | 118.9 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -17 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 101 | G | 64.6 | Low | 61.1 | Low | 83 Ų | 83 | 122.1 Ų | 122.1 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | 3.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | F99 | F99-G101 PolarHBondContact O-N 3.42Š|
| 102 | G | 76.6 | Confident | 61.1 | Low | 49 Ų | 49 | 127.1 Ų | 127.1 | 51% | 0.505 | 78% | 0.778 | S | S | . | * | | | trans | 73.4 | 156.7 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F99 | F99-G102 PolarHBondContact O-N 2.7Š|
| 103 | M | 76.4 | Confident | 60.9 | Low | 156 Ų | 156 | 127.6 Ų | 127.6 | 77% | 0.768 | 77% | 0.774 | S | S | * | * | | | trans | -74.8 | 126.7 | 178.1 | -144.3 | 178.2 | -164.5 | 0 | 0 | 109.6 | F99 K105 | F99-M103 HydrophobicContact CE1-CE 4.44Å; M103-K105 PolarHBondContact O-N 2.87Å |
| 104 | P | 68.8 | Low | 60.2 | Low | 115 Ų | 115 | 129.6 Ų | 129.6 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | | | trans | -57.3 | 115.5 | -179 | -27.5 | 35.8 | 0 | 0 | 0 | 111.9 | L106 | P104-L106 PolarHBondContact O-N 3.06Š|
| 105 | K | 76.4 | Confident | 59.6 | Low | 206 Ų | 206 | 133.5 Ų | 133.5 | 90% | 0.896 | 77% | 0.773 | S | S | * | * | | | trans | -69.2 | 107 | -177.7 | -167.2 | 117.7 | 178.9 | 177.8 | 0 | 109.6 | M103 R107 | M103-K105 PolarHBondContact O-N 2.87Å; K105-R107 PolarHBondContact O-N 2.95Å |
| 106 | L | 65.1 | Low | 58.7 | Low | 165 Ų | 165 | 129.8 Ų | 129.8 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 122.3 | 173.8 | -65.3 | 179.2 | 0 | 0 | 0 | 109.7 | P104 | P104-L106 PolarHBondContact O-N 3.06Š|
| 107 | R | 68.4 | Low | 58 | Low | 224 Ų | 224 | 130.2 Ų | 130.2 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 132.1 | 169.6 | 59 | -166.9 | 179.8 | -150 | -0.3 | 109.1 | K105 A109 | K105-R107 PolarHBondContact O-N 2.95Å; R107-A109 PolarHBondContact O-N 3.41Å |
| 108 | S | 55 | Low | 57.5 | Low | 106 Ų | 106 | 133.4 Ų | 133.4 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 131.2 | -172.4 | -164.5 | 0 | 0 | 0 | 0 | 111.5 | A110 | S108-A110 PolarHBondContact O-N 3.44Š|
| 109 | A | 53.7 | Low | 56.5 | Low | 114 Ų | 114 | 132.1 Ų | 132.1 | 94% | 0.942 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -81.1 | 46.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R107 | R107-A109 PolarHBondContact O-N 3.41Š|
| 110 | A | 52.5 | Low | 56 | Low | 74 Ų | 74 | 137.2 Ų | 137.2 | 61% | 0.612 | 79% | 0.793 | S | S | * | * | | | trans | -125.4 | 131.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | S108 | S108-A110 PolarHBondContact O-N 3.44Š|
| 111 | N | 52.2 | Low | 55.5 | Low | 143 Ų | 143 | 135.6 Ų | 135.6 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | | | trans | 72.2 | 98.1 | -178.5 | -162.5 | -13.4 | 0 | 0 | 0 | 115.8 | | |
| 112 | R | 48.2 | Very low | 54.8 | Low | 225 Ų | 225 | 137.8 Ų | 137.8 | 85% | 0.849 | 79% | 0.785 | S | S | * | * | | | trans | -152.9 | 88.1 | 135.6 | -148.5 | -178.8 | -68.7 | -175.3 | -5.6 | 109.9 | | |
| 113 | D | 46.4 | Very low | 53.4 | Low | 135 Ų | 135 | 142.1 Ų | 142.1 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | | | trans | -66.1 | 158.3 | 162 | -71.3 | -78.8 | 0 | 0 | 0 | 110.6 | | |
| 114 | N | 45 | Very low | 52.7 | Low | 155 Ų | 155 | 142 Ų | 142 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | | | trans | -39.3 | 131.9 | -171.1 | -68.3 | -92.7 | 0 | 0 | 0 | 116.4 | | |
| 115 | D | 39.7 | Very low | 51.6 | Low | 151 Ų | 151 | 141.9 Ų | 141.9 | 81% | 0.807 | 80% | 0.802 | S | S | * | * | | | | -158.9 | 129.8 | 126.5 | -126.9 | -51.3 | 0 | 0 | 0 | 114.4 | | |
| 116 | S | 40.4 | Very low | 50.2 | Low | 111 Ų | 111 | 138.7 Ų | 138.7 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | | | trans | 30.4 | 120.8 | 150.1 | -55.3 | 0 | 0 | 0 | 0 | 123.4 | | |
| 117 | G | 39.6 | Very low | 49.3 | Very low | 64 Ų | 64 | 134.2 Ų | 134.2 | 66% | 0.66 | 80% | 0.797 | S | S | * | * | | | trans | 124.1 | 123.3 | 143.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | S119 | G117-S119 PolarHBondContact O-N 2.98Š|
| 118 | P | 52.1 | Low | 48.1 | Very low | 139 Ų | 139 | 129.4 Ų | 129.4 | 90% | 0.903 | 80% | 0.797 | S | S | * | * | | | trans | -85.9 | 91.2 | 179.6 | 34.1 | -33.4 | 0 | 0 | 0 | 112.7 | | |
| 119 | S | 43.6 | Very low | 47.8 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -96 | 131.2 | 172.6 | 44.8 | 0 | 0 | 0 | 0 | 112.1 | G117 | G117-S119 PolarHBondContact O-N 2.98Š|
| 120 | R | 51.5 | Low | 47.3 | Very low | 253 Ų | 253 | 136.5 Ų | 136.5 | 96% | 0.955 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 131.9 | -171.1 | -63.4 | 175.4 | 175.7 | 179.8 | -3.2 | 111.9 | | |
| 121 | G | 48.7 | Very low | 46.6 | Very low | 62 Ų | 62 | 137.1 Ų | 137.1 | 64% | 0.639 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 157.9 | 164 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 122 | P | 51.4 | Low | 45.8 | Very low | 130 Ų | 130 | 133.4 Ų | 133.4 | 84% | 0.844 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 141.2 | -176.1 | 29.6 | -34.7 | 0 | 0 | 0 | 112.6 | | |
| 123 | V | 46.7 | Very low | 45.7 | Very low | 139 Ų | 139 | 129.5 Ų | 129.5 | 84% | 0.842 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 133.5 | 176.8 | 175.7 | 0 | 0 | 0 | 0 | 110 | | |
| 124 | L | 61.9 | Low | 45.3 | Very low | 153 Ų | 153 | 128.3 Ų | 128.3 | 80% | 0.801 | 82% | 0.817 | S | S | * | * | | | trans | -115.3 | 149.2 | 167.9 | -69.9 | 177.7 | 0 | 0 | 0 | 110.1 | | |
| 125 | P | 45.7 | Very low | 45.2 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | | | trans | -72.7 | 148.3 | -169.7 | 28.3 | -35.5 | 0 | 0 | 0 | 113.5 | G127 | P125-G127 PolarHBondContact O-N 2.89Š|
| 126 | P | 45.4 | Very low | 45.3 | Very low | 139 Ų | 139 | 129.4 Ų | 129.4 | 90% | 0.903 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -82.4 | 97.6 | -175.1 | 32.4 | -34.4 | 0 | 0 | 0 | 111.9 | | |
| 127 | G | 47.2 | Very low | 45.1 | Very low | 72 Ų | 72 | 127.9 Ų | 127.9 | 74% | 0.742 | 82% | 0.821 | S | S | * | * | | | trans | 179.3 | 49.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 120 | P125 | P125-G127 PolarHBondContact O-N 2.89Š|
| 128 | S | 44.1 | Very low | 45.2 | Very low | 123 Ų | 123 | 129 Ų | 129 | 86% | 0.86 | 83% | 0.832 | S | S | * | * | | | trans | -158.2 | 123.9 | 157.9 | 40.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 129 | R | 47.6 | Very low | 44.3 | Very low | 246 Ų | 246 | 126.3 Ų | 126.3 | 93% | 0.928 | 83% | 0.83 | S | S | * | * | | | trans | -133.8 | 108.8 | -179.4 | 39.4 | 174 | 165 | -103.5 | -4.5 | 108.8 | | |
| 130 | S | 42.6 | Very low | 43.9 | Very low | 122 Ų | 122 | 124.2 Ų | 124.2 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | | | trans | -136.3 | 117.4 | 170.7 | 37.7 | 0 | 0 | 0 | 0 | 108 | | |
| 131 | G | 38.7 | Very low | 43.4 | Very low | 87 Ų | 87 | 117.8 Ų | 117.8 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | | | trans | -90.1 | 149.6 | -175 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 132 | G | 35.1 | Very low | 43.2 | Very low | 65 Ų | 65 | 120.1 Ų | 120.1 | 67% | 0.67 | 83% | 0.825 | S | S | * | * | | | trans | -140.9 | 139.6 | 162 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 133 | P | 46.8 | Very low | 42.7 | Very low | 144 Ų | 144 | 119 Ų | 119 | 94% | 0.935 | 82% | 0.82 | S | S | * | * | | | trans | -76.8 | 132.2 | -169.4 | 30.2 | -34.3 | 0 | 0 | 0 | 112 | | |
| 134 | S | 37.9 | Very low | 42.5 | Very low | 110 Ų | 110 | 115.9 Ų | 115.9 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | | | trans | -132.9 | 138.2 | 167.1 | -173.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 135 | P | 41.5 | Very low | 42 | Very low | 110 Ų | 110 | 114 Ų | 114 | 71% | 0.714 | 81% | 0.812 | S | S | * | * | | | trans | -74.3 | 139.4 | -166.7 | 28.8 | -35.4 | 0 | 0 | 0 | 113.2 | | |
| 136 | F | 43.4 | Very low | 41.8 | Very low | 219 Ų | 219 | 115.1 Ų | 115.1 | 96% | 0.961 | 82% | 0.82 | S | S | * | * | | | trans | 32.5 | 84.2 | 158.2 | -74.1 | -85.2 | 0 | 0 | 0 | 117.2 | | |
| 137 | G | 36.5 | Very low | 41.7 | Very low | 78 Ų | 78 | 117.9 Ų | 117.9 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | | | trans | -154.2 | 87.6 | 173 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 138 | G | 40.4 | Very low | 41.7 | Very low | 87 Ų | 87 | 122.3 Ų | 122.3 | 90% | 0.897 | 82% | 0.823 | S | S | * | * | | | trans | 93.7 | 109.1 | 149.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 139 | G | 32.6 | Very low | 41.5 | Very low | 83 Ų | 83 | 122.9 Ų | 122.9 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | | | trans | -119.1 | 106.2 | 146.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 140 | G | 37.2 | Very low | 41.5 | Very low | 73 Ų | 73 | 114.6 Ų | 114.6 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | | | trans | -84.8 | 134.7 | -174 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 141 | S | 39.9 | Very low | 41.6 | Very low | 119 Ų | 119 | 115.5 Ų | 115.5 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | | | trans | 125.2 | 152.8 | 141.4 | -56.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 142 | P | 45.2 | Very low | 41.5 | Very low | 111 Ų | 111 | 117.7 Ų | 117.7 | 72% | 0.721 | 81% | 0.814 | S | S | * | * | | | cis | -120.6 | -171.9 | -29 | 32 | -12.9 | 0 | 0 | 0 | 111.3 | | |
| 143 | S | 39.4 | Very low | 41.7 | Very low | 107 Ų | 107 | 119 Ų | 119 | 75% | 0.748 | 82% | 0.818 | S | S | * | * | | | trans | 47 | 89.2 | 149.1 | 61.7 | 0 | 0 | 0 | 0 | 120.8 | | |
| 144 | G | 42.5 | Very low | 41.4 | Very low | 73 Ų | 73 | 118.7 Ų | 118.7 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | | | trans | 70.5 | 167.6 | 138.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 145 | P | 52.4 | Low | 41.7 | Very low | 112 Ų | 112 | 119.2 Ų | 119.2 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -75.3 | 152.9 | 172.6 | 32.8 | -34.6 | 0 | 0 | 0 | 111 | K147 | P145-K147 PolarHBondContact O-N 2.93Š|
| 146 | P | 42 | Very low | 41.7 | Very low | 137 Ų | 137 | 126 Ų | 126 | 89% | 0.89 | 83% | 0.826 | S | S | * | * | | | trans | -65.3 | 127.3 | -175.8 | 27.2 | -34.6 | 0 | 0 | 0 | 111.2 | | |
| 147 | K | 42.4 | Very low | 41.1 | Very low | 198 Ų | 198 | 119.3 Ų | 119.3 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | | | trans | -112.5 | 140.3 | 167 | -81.4 | -173.1 | 174 | -175.4 | 0 | 110 | P145 | P145-K147 PolarHBondContact O-N 2.93Š|
| 148 | L | 47.7 | Very low | 41 | Very low | 164 Ų | 164 | 119.4 Ų | 119.4 | 86% | 0.859 | 82% | 0.819 | S | S | * | * | | | trans | -64.8 | 154.4 | 179.9 | -58.7 | 167.4 | 0 | 0 | 0 | 111 | | |
| 149 | P | 39.9 | Very low | 41.1 | Very low | 135 Ų | 135 | 119.8 Ų | 119.8 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -65.7 | 135.1 | 178.2 | -18.6 | 31.9 | 0 | 0 | 0 | 112.5 | | |
| 150 | G | 46.4 | Very low | 41.5 | Very low | 72 Ų | 72 | 121.9 Ų | 121.9 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | | | trans | 117.2 | 69.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 151 | V | 45.1 | Very low | 41.5 | Very low | 142 Ų | 142 | 125.5 Ų | 125.5 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | | | trans | -161.6 | 147.6 | 150.8 | -101.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 152 | P | 37.4 | Very low | 42.1 | Very low | 132 Ų | 132 | 126.6 Ų | 126.6 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | | | trans | -79.8 | 170.4 | -176.6 | 33.2 | -35.5 | 0 | 0 | 0 | 114.1 | | |
| 153 | A | 40 | Very low | 42.2 | Very low | 93 Ų | 93 | 127.4 Ų | 127.4 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | | | trans | -101.3 | -174.6 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 154 | V | 39.2 | Very low | 42.7 | Very low | 138 Ų | 138 | 132.3 Ų | 132.3 | 84% | 0.836 | 82% | 0.823 | S | S | * | * | | | trans | 99.2 | 138.3 | 171.7 | -177.3 | 0 | 0 | 0 | 0 | 115 | | |
| 155 | P | 43.7 | Very low | 42.2 | Very low | 121 Ų | 121 | 132 Ų | 132 | 79% | 0.786 | 82% | 0.819 | S | S | * | * | | | cis | -124.3 | -171 | -40.3 | 35.3 | -15.2 | 0 | 0 | 0 | 112.4 | | |
| 156 | R | 41.5 | Very low | 41.6 | Very low | 253 Ų | 253 | 136.8 Ų | 136.8 | 96% | 0.955 | 82% | 0.823 | S | S | * | * | | | trans | -85.8 | 148.1 | 178.8 | -66.8 | 178.7 | 171.3 | 98.5 | -3.2 | 113.2 | | |
| 157 | G | 31.8 | Very low | 41.3 | Very low | 78 Ų | 78 | 135.1 Ų | 135.1 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | | | trans | -175.8 | 137.8 | 161.4 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 158 | G | 34.1 | Very low | 40.7 | Very low | 80 Ų | 80 | 131.9 Ų | 131.9 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | | | trans | 85.5 | 121.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 159 | A | 43.4 | Very low | 40.3 | Very low | 95 Ų | 95 | 133 Ų | 133 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | | | trans | -78.4 | 148.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | D161 | A159-D161 PolarHBondContact O-N 3.44Š|
| 160 | P | 40.8 | Very low | 40.1 | Very low | 126 Ų | 126 | 131.9 Ų | 131.9 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -75.1 | 105.2 | 173 | 29.8 | -31.9 | 0 | 0 | 0 | 110.2 | | |
| 161 | D | 37.3 | Very low | 39.6 | Very low | 150 Ų | 150 | 133.8 Ų | 133.8 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | | | trans | -69.1 | 150 | 172.7 | -163.6 | 5.1 | 0 | 0 | 0 | 111.3 | A159 | A159-D161 PolarHBondContact O-N 3.44Š|
| 162 | L | 52.3 | Low | 39.1 | Very low | 142 Ų | 142 | 138.4 Ų | 138.4 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | | | trans | -79.6 | 126.7 | -179.9 | -84.2 | 79.3 | 0 | 0 | 0 | 110.5 | K164 | L162-K164 VanDerWaalsContact C-N 3.34Å; L162-K164 PolarHBondContact O-N 2.77Å |
| 163 | P | 47.2 | Very low | 38.9 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | | | trans | -70.5 | 90.8 | 167.3 | 28.7 | -33 | 0 | 0 | 0 | 110.8 | G165 | P163-G165 VanDerWaalsContact C-N 3.3Å; P163-G165 PolarHBondContact O-N 3.07Å |
| 164 | K | 48.9 | Very low | 38.8 | Very low | 211 Ų | 211 | 143.3 Ų | 143.3 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | | | trans | -65.8 | 90.3 | 155.9 | -74.9 | 174 | -179.4 | 163.8 | 0 | 108.3 | L162 | L162-K164 VanDerWaalsContact C-N 3.34Å; L162-K164 PolarHBondContact O-N 2.77Å |
| 165 | G | 33 | Very low | 38.7 | Very low | 65 Ų | 65 | 141.9 Ų | 141.9 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | | | trans | -139 | 80.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113 | P163 | P163-G165 VanDerWaalsContact C-N 3.3Å; P163-G165 PolarHBondContact O-N 3.07Å |
| 166 | R | 39.3 | Very low | 38.7 | Very low | 214 Ų | 214 | 142.5 Ų | 142.5 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | | | trans | -88.1 | 118.1 | 167.8 | -174.6 | -173.8 | -168.7 | -142.9 | 6 | 108.4 | N168 | R166-N168 PolarHBondContact O-N 3.19Å; R166-N168 VanDerWaalsContact O-N 3.14Å |
| 167 | P | 36.4 | Very low | 39.1 | Very low | 102 Ų | 102 | 134 Ų | 134 | 66% | 0.662 | 79% | 0.791 | S | S | * | * | | | trans | -69.3 | 112 | 166.8 | 28 | -31 | 0 | 0 | 0 | 108.4 | F169 | P167-F169 HydrophobicContact CB-CE2 4.33Å; P167-F169 PolarHBondContact O-N 2.74Å |
| 168 | N | 30.1 | Very low | 40.1 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 69% | 0.69 | 79% | 0.786 | S | S | * | * | | | trans | -89.3 | 97.1 | 172.4 | -162.5 | 59.5 | 0 | 0 | 0 | 107.8 | R166 | R166-N168 PolarHBondContact O-N 3.19Å; R166-N168 VanDerWaalsContact O-N 3.14Å |
| 169 | F | 38.8 | Very low | 41.1 | Very low | 188 Ų | 188 | 135.4 Ų | 135.4 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | trans | -77.4 | 142.7 | 166.8 | -79.4 | -76.3 | 0 | 0 | 0 | 110.1 | P167 | P167-F169 HydrophobicContact CB-CE2 4.33Å; P167-F169 PolarHBondContact O-N 2.74Å |
| 170 | S | 34.8 | Very low | 41.9 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | | | trans | -64.6 | 149.6 | -167.8 | -57.8 | 0 | 0 | 0 | 0 | 114.5 | | |
| 171 | S | 35.5 | Very low | 42.8 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | | | trans | -38.7 | 139.1 | 174.3 | 55.9 | 0 | 0 | 0 | 0 | 116.9 | | |
| 172 | R | 34.9 | Very low | 43.6 | Very low | 239 Ų | 239 | 134.8 Ų | 134.8 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | | | trans | -146.5 | 95.4 | 131.4 | -139.4 | 175.3 | -170 | -139 | 1.2 | 113.2 | | |
| 173 | Q | 33.8 | Very low | 44.2 | Very low | 156 Ų | 156 | 134.2 Ų | 134.2 | 73% | 0.729 | 78% | 0.781 | S | S | * | * | | | trans | 64.4 | 84.9 | 144.6 | -160.7 | 168.9 | -10.2 | 0 | 0 | 118.7 | | |
| 174 | D | 37.8 | Very low | 44.3 | Very low | 172 Ų | 172 | 133.9 Ų | 133.9 | 92% | 0.92 | 78% | 0.779 | S | S | * | * | | | trans | -71.5 | 120.2 | 157.1 | -76.2 | -76.3 | 0 | 0 | 0 | 111.1 | | |
| 175 | T | 37.1 | Very low | 44.2 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 66% | 0.656 | 78% | 0.779 | S | S | * | * | | | trans | -150.7 | 132.7 | 162.1 | -44.4 | 0 | 0 | 0 | 0 | 107.7 | G177 | T175-G177 PolarHBondContact O-N 3.04Š|
| 176 | P | 44.7 | Very low | 44.8 | Very low | 134 Ų | 134 | 134.8 Ų | 134.8 | 87% | 0.87 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -79.9 | 113.2 | -165 | 30.1 | -34.7 | 0 | 0 | 0 | 112.3 | | |
| 177 | G | 49.2 | Very low | 44.7 | Very low | 76 Ų | 76 | 131 Ų | 131 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | | | trans | 166.7 | -1.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | T175 | T175-G177 PolarHBondContact O-N 3.04Š|
| 178 | G | 52 | Low | 45.2 | Very low | 68 Ų | 68 | 136.4 Ų | 136.4 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 138.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 179 | P | 56.5 | Low | 45.7 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 153.6 | 173.5 | 29.6 | -34.6 | 0 | 0 | 0 | 111.8 | | |
| 180 | P | 60.6 | Low | 45.9 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 157.7 | -179.2 | 30 | -35.7 | 0 | 0 | 0 | 112.6 | | |
| 181 | P | 59.5 | Low | 46 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 152.8 | 177.1 | 28.2 | -35.7 | 0 | 0 | 0 | 112.1 | | |
| 182 | P | 53.4 | Low | 46.1 | Very low | 131 Ų | 131 | 135.5 Ų | 135.5 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 135.8 | -175.8 | 27.6 | -34.6 | 0 | 0 | 0 | 112 | | |
| 183 | V | 64.6 | Low | 46.4 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 78% | 0.782 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 147.4 | 175.1 | -71 | 0 | 0 | 0 | 0 | 111.6 | | |
| 184 | P | 48.7 | Very low | 46.8 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 139.7 | 174.6 | -22.2 | 34 | 0 | 0 | 0 | 112.6 | T186 | P184-T186 PolarHBondContact O-N 3.07Š|
| 185 | N | 46.8 | Very low | 46.7 | Very low | 169 Ų | 169 | 127.9 Ų | 127.9 | 90% | 0.904 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 130.6 | -176 | -89.2 | -43.2 | 0 | 0 | 0 | 113.7 | | |
| 186 | T | 45.8 | Very low | 46.7 | Very low | 125 Ų | 125 | 135 Ų | 135 | 77% | 0.767 | 81% | 0.806 | S | S | * | * | | | trans | -135.4 | 144.3 | 156 | 49 | 0 | 0 | 0 | 0 | 109.5 | P184 | P184-T186 PolarHBondContact O-N 3.07Š|
| 187 | P | 38.6 | Very low | 46.2 | Very low | 134 Ų | 134 | 132.4 Ų | 132.4 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 132 | -168.7 | -14.9 | 30.7 | 0 | 0 | 0 | 112.6 | | |
| 188 | R | 46 | Very low | 45.6 | Very low | 217 Ų | 217 | 132.4 Ų | 132.4 | 82% | 0.819 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 131.7 | 175.7 | -165.3 | 178.6 | -162.7 | -99.9 | 3.9 | 110 | | |
| 189 | P | 39.9 | Very low | 45.1 | Very low | 102 Ų | 102 | 135.7 Ų | 135.7 | 66% | 0.662 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 142.9 | 173.5 | 29.3 | -33.8 | 0 | 0 | 0 | 110.8 | | |
| 190 | P | 43.7 | Very low | 44.2 | Very low | 125 Ų | 125 | 135.6 Ų | 135.6 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 132.1 | 178.4 | 30.3 | -33.3 | 0 | 0 | 0 | 110.9 | | |
| 191 | Q | 38.1 | Very low | 43.6 | Very low | 188 Ų | 188 | 135.7 Ų | 135.7 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 122.7 | 161.3 | -73.5 | -166.5 | -27.9 | 0 | 0 | 108.7 | | |
| 192 | S | 36.8 | Very low | 42.8 | Very low | 107 Ų | 107 | 136.4 Ų | 136.4 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | | | trans | -121.1 | 125.2 | 166 | 49.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 193 | L | 40.6 | Very low | 41.9 | Very low | 172 Ų | 172 | 136 Ų | 136 | 90% | 0.901 | 82% | 0.821 | S | S | * | * | | | trans | -91.1 | 138.4 | 164 | -72 | 159.9 | 0 | 0 | 0 | 107.9 | | |
| 194 | P | 42.8 | Very low | 40.7 | Very low | 122 Ų | 122 | 138 Ų | 138 | 79% | 0.792 | 83% | 0.826 | S | S | * | * | | | trans | -117.5 | 134.4 | 147.1 | 1.2 | 19.7 | 0 | 0 | 0 | 111 | | |
| 195 | S | 34.8 | Very low | 40.4 | Very low | 112 Ų | 112 | 138.4 Ų | 138.4 | 78% | 0.783 | 83% | 0.829 | S | S | * | * | | | trans | -92 | 137.8 | 170.2 | -71.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 196 | R | 38.2 | Very low | 39.7 | Very low | 256 Ų | 256 | 134 Ų | 134 | 97% | 0.966 | 82% | 0.824 | S | S | * | * | | | trans | 56.2 | 115.4 | 157.1 | -67.1 | -174.3 | 169.4 | -150.2 | -3.6 | 119.2 | | |
| 197 | G | 33.7 | Very low | 39.1 | Very low | 81 Ų | 81 | 131.9 Ų | 131.9 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | | | trans | 160.8 | 108.8 | 156.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 198 | G | 37.4 | Very low | 39.3 | Very low | 76 Ų | 76 | 131.9 Ų | 131.9 | 78% | 0.784 | 83% | 0.826 | S | S | * | * | | | trans | -80.6 | 164.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 199 | P | 40 | Very low | 38.8 | Very low | 137 Ų | 137 | 131.7 Ų | 131.7 | 89% | 0.89 | 83% | 0.826 | S | S | * | * | | | | -144.1 | -172 | 81.8 | 38.4 | -20.7 | 0 | 0 | 0 | 116 | | |
| 200 | S | 37.4 | Very low | 39 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | | | trans | -80.8 | 176.4 | -167.5 | -40.8 | 0 | 0 | 0 | 0 | 115.3 | | |
| 201 | P | 48.9 | Very low | 38.3 | Very low | 116 Ų | 116 | 129 Ų | 129 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 170.8 | -153.5 | 40.5 | -39.1 | 0 | 0 | 0 | 116.6 | | |
| 202 | P | 41.8 | Very low | 38 | Very low | 127 Ų | 127 | 128.3 Ų | 128.3 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 158.3 | 163.9 | 36.5 | -32.2 | 0 | 0 | 0 | 114 | | |
| 203 | S | 35.8 | Very low | 37.7 | Very low | 124 Ų | 124 | 127.4 Ų | 127.4 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -94 | 169 | -169.3 | -48.8 | 0 | 0 | 0 | 0 | 115.7 | | |
| 204 | L | 39.3 | Very low | 37.3 | Very low | 170 Ų | 170 | 124.9 Ų | 124.9 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -75 | 155.4 | 175.8 | -62.1 | 169.8 | 0 | 0 | 0 | 113.5 | | |
| 205 | P | 42.6 | Very low | 37.2 | Very low | 130 Ų | 130 | 124.3 Ų | 124.3 | 84% | 0.844 | 80% | 0.8 | S | S | * | * | | | | -142.7 | 167.1 | 112.8 | 38.4 | -25.7 | 0 | 0 | 0 | 113.1 | | |
| 206 | G | 30.9 | Very low | 37.7 | Very low | 77 Ų | 77 | 124.2 Ų | 124.2 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | | | cis | 162.6 | 100.9 | -7.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 207 | G | 33.4 | Very low | 37.5 | Very low | 80 Ų | 80 | 118.5 Ų | 118.5 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | | | trans | 70.2 | 175.3 | 163.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 208 | P | 42.5 | Very low | 38.5 | Very low | 133 Ų | 133 | 120 Ų | 120 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | | | cis | -128 | -177.6 | -4 | 40.8 | -24.3 | 0 | 0 | 0 | 116.5 | | |
| 209 | R | 35.6 | Very low | 39.5 | Very low | 214 Ų | 214 | 121.5 Ų | 121.5 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | | | trans | -63.4 | 177.4 | 171.4 | -114.6 | -176.9 | 167.2 | -167.5 | -2.9 | 113.6 | | |
| 210 | P | 43.9 | Very low | 39 | Very low | 114 Ų | 114 | 120.7 Ų | 120.7 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | | | cis | -122.6 | 163.8 | 28.1 | 18.8 | 6.7 | 0 | 0 | 0 | 114.1 | | |
| 211 | S | 29.4 | Very low | 39.1 | Very low | 57 Ų | 57 | 121.6 Ų | 121.6 | 40% | 0.399 | 78% | 0.779 | S | S | . | * | | | cis | 89.3 | 147 | 36.7 | 78.9 | 0 | 0 | 0 | 0 | 117 | | |
| 212 | H | 31.7 | Very low | 39.2 | Very low | 172 Ų | 172 | 121.5 Ų | 121.5 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | | | trans | 79.7 | 115.9 | -179.2 | -44.9 | -72.5 | 0 | 0 | 0 | 115.1 | | |
| 213 | A | 31.5 | Very low | 39.3 | Very low | 89 Ų | 89 | 121.1 Ų | 121.1 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | | | cis | 108.8 | 148 | 28.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 214 | S | 31.7 | Very low | 39.1 | Very low | 119 Ų | 119 | 118.3 Ų | 118.3 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | | | trans | 107.1 | 108.2 | 167 | -53.2 | 0 | 0 | 0 | 0 | 117.8 | | |
| 215 | S | 40 | Very low | 38.9 | Very low | 109 Ų | 109 | 122.1 Ų | 122.1 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | | | trans | -63 | 175.8 | 145.7 | 51 | 0 | 0 | 0 | 0 | 110.5 | | |
| 216 | P | 45.2 | Very low | 38.6 | Very low | 111 Ų | 111 | 125.2 Ų | 125.2 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | | | cis | -153.7 | -170.1 | 30.5 | 35.2 | -7.5 | 0 | 0 | 0 | 118.9 | | |
| 217 | V | 33.6 | Very low | 38.7 | Very low | 135 Ų | 135 | 124.6 Ų | 124.6 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | trans | 63.6 | 152.3 | 158.5 | -84.9 | 0 | 0 | 0 | 0 | 123.8 | | |
| 218 | P | 55.4 | Low | 39 | Very low | 112 Ų | 112 | 126.4 Ų | 126.4 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | trans | -105.8 | -157.6 | -178.5 | 46.5 | -37.5 | 0 | 0 | 0 | 111.5 | | |
| 219 | P | 58.8 | Low | 39.4 | Very low | 109 Ų | 109 | 128 Ų | 128 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | | | cis | -125.3 | -179.7 | -18 | 41.7 | -27.5 | 0 | 0 | 0 | 113.3 | | |
| 220 | S | 30.1 | Very low | 40.4 | Very low | 120 Ų | 120 | 123.4 Ų | 123.4 | 84% | 0.839 | 76% | 0.764 | S | S | * | * | | | trans | 162.7 | 163.6 | 143.1 | -79.9 | 0 | 0 | 0 | 0 | 116.2 | | |
| 221 | V | 38.2 | Very low | 41 | Very low | 135 Ų | 135 | 123.6 Ų | 123.6 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | trans | -152.4 | 147.2 | 179.1 | 168.9 | 0 | 0 | 0 | 0 | 105.7 | | |
| 222 | P | 52.4 | Low | 42.4 | Very low | 115 Ų | 115 | 126.3 Ų | 126.3 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | | | cis | -120.6 | -140.4 | 21.5 | 34.3 | -10 | 0 | 0 | 0 | 110.5 | | |
| 223 | P | 42.3 | Very low | 43.6 | Very low | 118 Ų | 118 | 124 Ų | 124 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | | | cis | -139.8 | 154.8 | -10.4 | 39.4 | -19.9 | 0 | 0 | 0 | 119.5 | | |
| 224 | G | 32.4 | Very low | 44.8 | Very low | 65 Ų | 65 | 125.6 Ų | 125.6 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | | | | 67.7 | 117.9 | 126.9 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 225 | R | 34.9 | Very low | 45.4 | Very low | 251 Ų | 251 | 126.2 Ų | 126.2 | 95% | 0.947 | 79% | 0.786 | S | S | * | * | | | trans | -158 | 145 | 134.4 | -107.7 | 163 | -166.7 | -100.1 | -0.4 | 110.9 | | |
| 226 | H | 35.7 | Very low | 45.2 | Very low | 194 Ų | 194 | 125 Ų | 125 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | | | trans | -101.6 | 163.2 | -162.4 | -66.1 | -109.4 | 0 | 0 | 0 | 114.2 | | |
| 227 | G | 33.2 | Very low | 44.6 | Very low | 65 Ų | 65 | 123.5 Ų | 123.5 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | | | trans | 162.9 | 54 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 228 | S | 41.5 | Very low | 44.7 | Very low | 118 Ų | 118 | 122.9 Ų | 122.9 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | | | | 77.5 | 100.3 | 96 | 68.4 | 0 | 0 | 0 | 0 | 114.6 | | |
| 229 | L | 50.5 | Low | 43.7 | Very low | 165 Ų | 165 | 123.5 Ų | 123.5 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 157.4 | 169.8 | -64.9 | 162 | 0 | 0 | 0 | 111.8 | | |
| 230 | P | 55.2 | Low | 42.6 | Very low | 118 Ų | 118 | 122.2 Ų | 122.2 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 143.2 | 167.8 | 29.5 | -34.5 | 0 | 0 | 0 | 111.1 | | |
| 231 | P | 57.3 | Low | 42.8 | Very low | 118 Ų | 118 | 120.1 Ų | 120.1 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 152.4 | -176.6 | 31.9 | -35.6 | 0 | 0 | 0 | 112.9 | | |
| 232 | P | 58.1 | Low | 43.1 | Very low | 115 Ų | 115 | 119.3 Ų | 119.3 | 75% | 0.747 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 151.1 | 168.9 | 32.7 | -34.5 | 0 | 0 | 0 | 111.6 | | |
| 233 | P | 56.8 | Low | 42.2 | Very low | 124 Ų | 124 | 124.6 Ų | 124.6 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -72 | 141 | 174.9 | 29.1 | -33.7 | 0 | 0 | 0 | 112.1 | | |
| 234 | P | 56.7 | Low | 41.9 | Very low | 122 Ų | 122 | 125.3 Ų | 125.3 | 79% | 0.792 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 168.8 | -176.7 | 33.7 | -36.5 | 0 | 0 | 0 | 114.1 | | |
| 235 | P | 45.2 | Very low | 42.1 | Very low | 131 Ų | 131 | 126.5 Ų | 126.5 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 151.3 | -166.3 | 37.1 | -34.9 | 0 | 0 | 0 | 116 | | |
| 236 | G | 35.7 | Very low | 42.7 | Very low | 85 Ų | 85 | 124.9 Ų | 124.9 | 88% | 0.876 | 82% | 0.817 | S | S | * | * | | | trans | 111.7 | 146.2 | 156.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 237 | G | 31.9 | Very low | 42.8 | Very low | 79 Ų | 79 | 121.4 Ų | 121.4 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | | | trans | 134.3 | 58.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 238 | S | 35.8 | Very low | 43.5 | Very low | 122 Ų | 122 | 122.5 Ų | 122.5 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | | | trans | -9.6 | 130.9 | 162.7 | -52.4 | 0 | 0 | 0 | 0 | 121.2 | | |
| 239 | S | 35.5 | Very low | 43.9 | Very low | 125 Ų | 125 | 122.4 Ų | 122.4 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | | | | -172.3 | 140.3 | 119.2 | 43.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 240 | G | 34.6 | Very low | 44.2 | Very low | 81 Ų | 81 | 120 Ų | 120 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | | | trans | 83.8 | 87.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 241 | G | 35.7 | Very low | 44.4 | Very low | 77 Ų | 77 | 119.8 Ų | 119.8 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | | | trans | -79.8 | -168 | 161.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 242 | P | 43.1 | Very low | 44.4 | Very low | 118 Ų | 118 | 119.7 Ų | 119.7 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | | | cis | -133.6 | 151 | 13.9 | 37.6 | -19.4 | 0 | 0 | 0 | 117.3 | | |
| 243 | R | 34.8 | Very low | 44.2 | Very low | 226 Ų | 226 | 120 Ų | 120 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | | | trans | 53.1 | 97.3 | 142.9 | -57.5 | 175.7 | 84.9 | 173.2 | 7.3 | 118.3 | S245 | R243-S245 PolarHBondContact O-N 3.45Š|
| 244 | S | 34.9 | Very low | 43.9 | Very low | 133 Ų | 133 | 119.4 Ų | 119.4 | 93% | 0.93 | 81% | 0.807 | S | S | * | * | | | trans | -68.9 | 95.4 | 155.6 | -179 | 0 | 0 | 0 | 0 | 110.2 | | |
| 245 | S | 36 | Very low | 43.7 | Very low | 89 Ų | 89 | 120.9 Ų | 120.9 | 62% | 0.622 | 81% | 0.808 | S | S | * | * | | | trans | -81 | 150.7 | 160.8 | -64.2 | 0 | 0 | 0 | 0 | 109.7 | R243 S247 | R243-S245 PolarHBondContact O-N 3.45Å; S245-S247 PolarHBondContact O-N 3.49Å |
| 246 | F | 47.7 | Very low | 44 | Very low | 217 Ų | 217 | 119.7 Ų | 119.7 | 95% | 0.952 | 80% | 0.803 | S | S | * | * | | | trans | -50.5 | 129.2 | 170.6 | -80.3 | -105 | 0 | 0 | 0 | 111.3 | | |
| 247 | S | 38.6 | Very low | 44.7 | Very low | 122 Ų | 122 | 121.3 Ų | 121.3 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | | | trans | -143.6 | 144.3 | 166.5 | -108.3 | 0 | 0 | 0 | 0 | 110.6 | S245 | S245-S247 PolarHBondContact O-N 3.49Š|
| 248 | A | 48.6 | Very low | 45.5 | Very low | 87 Ų | 87 | 127.7 Ų | 127.7 | 72% | 0.719 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 159 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 249 | P | 49.9 | Very low | 46.5 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 146.1 | 171.5 | 26.5 | -35.5 | 0 | 0 | 0 | 111.1 | | |
| 250 | P | 57.1 | Low | 47.5 | Very low | 114 Ų | 114 | 127.1 Ų | 127.1 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 149.9 | 179 | 28.1 | -35 | 0 | 0 | 0 | 111.4 | | |
| 251 | P | 59.3 | Low | 48.5 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 150.2 | 172.9 | 28.6 | -34.7 | 0 | 0 | 0 | 110.8 | | |
| 252 | P | 56.9 | Low | 49.2 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 145.7 | 178.1 | 28 | -34.8 | 0 | 0 | 0 | 111.2 | | |
| 253 | P | 53.4 | Low | 49.5 | Very low | 122 Ų | 122 | 132.8 Ų | 132.8 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 144.7 | -178.2 | 27.4 | -34.7 | 0 | 0 | 0 | 112.3 | | |
| 254 | S | 49.7 | Very low | 50.1 | Low | 110 Ų | 110 | 126 Ų | 126 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 139.5 | 178 | -59 | 0 | 0 | 0 | 0 | 112.4 | S256 | S254-S256 PolarHBondContact O-N 3.08Š|
| 255 | N | 53.2 | Low | 50.6 | Low | 154 Ų | 154 | 126.5 Ų | 126.5 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -81.2 | 46.8 | -162.6 | -158.1 | 18.7 | 0 | 0 | 0 | 114.1 | | |
| 256 | S | 52.7 | Low | 51.2 | Low | 106 Ų | 106 | 125.8 Ų | 125.8 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | | | trans | -106 | 2.6 | -165.4 | -49.7 | 0 | 0 | 0 | 0 | 115.4 | S254 | S254-S256 PolarHBondContact O-N 3.08Š|
| 257 | S | 48.5 | Very low | 50.8 | Low | 118 Ų | 118 | 119.1 Ų | 119.1 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | | | trans | -136.3 | 52.1 | -168.8 | -53.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 258 | R | 48.5 | Very low | 51 | Low | 213 Ų | 213 | 124.9 Ų | 124.9 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -109.2 | 136.3 | 162.8 | -87.3 | -175.2 | 170.7 | -119.2 | -1 | 110.1 | | |
| 259 | P | 58.2 | Low | 50.9 | Low | 110 Ų | 110 | 126 Ų | 126 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 154.1 | 169.8 | 29.9 | -34.7 | 0 | 0 | 0 | 110.3 | | |
| 260 | P | 55.3 | Low | 51.1 | Low | 125 Ų | 125 | 126.5 Ų | 126.5 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 142.1 | 176.5 | 27.5 | -34.3 | 0 | 0 | 0 | 110.9 | | |
| 261 | L | 56.6 | Low | 50.4 | Low | 154 Ų | 154 | 129 Ų | 129 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -74 | 149.2 | 172.6 | -67.2 | 170.1 | 0 | 0 | 0 | 110.2 | | |
| 262 | P | 51 | Low | 49.9 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 149.1 | 177.7 | 27.5 | -35 | 0 | 0 | 0 | 111.6 | A264 | P262-A264 PolarHBondContact O-N 3.49Š|
| 263 | P | 48.8 | Very low | 49.6 | Very low | 130 Ų | 130 | 131.4 Ų | 131.4 | 84% | 0.844 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 136.9 | 177.3 | -22.5 | 33.5 | 0 | 0 | 0 | 112.2 | | |
| 264 | A | 46.3 | Very low | 49.6 | Very low | 84 Ų | 84 | 132.8 Ų | 132.8 | 69% | 0.694 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 142.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111 | P262 G266 | P262-A264 PolarHBondContact O-N 3.49Å; A264-G266 PolarHBondContact O-N 2.67Å |
| 265 | P | 46.7 | Very low | 49.8 | Very low | 143 Ų | 143 | 138.9 Ų | 138.9 | 93% | 0.929 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | 97.7 | 177 | 27.7 | -32.3 | 0 | 0 | 0 | 110.2 | | |
| 266 | G | 49.1 | Very low | 49.9 | Very low | 74 Ų | 74 | 137 Ų | 137 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -172.8 | -15 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | A264 R268 | A264-G266 PolarHBondContact O-N 2.67Å; G266-R268 PolarHBondContact O-N 3.44Å |
| 267 | G | 38.5 | Very low | 50.2 | Low | 77 Ų | 77 | 137.6 Ų | 137.6 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | | | trans | -77.9 | 110 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 268 | R | 43.7 | Very low | 50.4 | Low | 244 Ų | 244 | 137.6 Ų | 137.6 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 137.1 | 166.5 | -86.9 | -176.7 | 165 | -140.3 | -1.1 | 110.3 | G266 | G266-R268 PolarHBondContact O-N 3.44Š|
| 269 | P | 44.7 | Very low | 50.3 | Low | 109 Ų | 109 | 133.1 Ų | 133.1 | 71% | 0.708 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 156.9 | 163.2 | 33.2 | -33.7 | 0 | 0 | 0 | 110.7 | | |
| 270 | P | 53.9 | Low | 49.8 | Very low | 128 Ų | 128 | 134 Ų | 134 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 142.7 | 174.1 | 32.2 | -34 | 0 | 0 | 0 | 110.9 | | |
| 271 | L | 43.3 | Very low | 49.3 | Very low | 166 Ų | 166 | 132.3 Ų | 132.3 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | | | trans | -145.7 | 139.7 | 175.6 | -162.1 | 61.6 | 0 | 0 | 0 | 106.9 | | |
| 272 | P | 48.6 | Very low | 48.9 | Very low | 113 Ų | 113 | 131.3 Ų | 131.3 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | | | trans | -79.5 | 162.1 | -145.6 | 29.5 | -37.3 | 0 | 0 | 0 | 115.6 | D274 | P272-D274 PolarHBondContact O-N 3.17Š|
| 273 | D | 50.5 | Low | 48.7 | Very low | 169 Ų | 169 | 133.1 Ų | 133.1 | 90% | 0.904 | 81% | 0.814 | S | S | * | * | | | trans | -60.2 | 103.5 | 172.2 | -62.3 | -87.3 | 0 | 0 | 0 | 112.3 | | |
| 274 | D | 54.1 | Low | 48.5 | Very low | 151 Ų | 151 | 130.4 Ų | 130.4 | 81% | 0.807 | 81% | 0.809 | S | S | * | * | | | trans | -154.2 | 82.1 | 162.3 | -146.2 | -18.3 | 0 | 0 | 0 | 112.5 | P272 | P272-D274 PolarHBondContact O-N 3.17Š|
| 275 | R | 53 | Low | 48 | Very low | 238 Ų | 238 | 130 Ų | 130 | 90% | 0.898 | 81% | 0.814 | S | S | * | * | | | trans | -143.8 | 135.7 | 161.5 | -75.7 | -162.1 | 176.5 | -143.8 | -3.7 | 111.1 | | |
| 276 | P | 56.3 | Low | 47.9 | Very low | 114 Ų | 114 | 132.3 Ų | 132.3 | 74% | 0.74 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 156.9 | 178.8 | 31.4 | -36 | 0 | 0 | 0 | 112 | | |
| 277 | P | 58.6 | Low | 47.5 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 77% | 0.766 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 150.5 | 179.8 | 30.1 | -35.3 | 0 | 0 | 0 | 112.5 | | |
| 278 | P | 52.3 | Low | 47.8 | Very low | 119 Ų | 119 | 142.7 Ų | 142.7 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -77 | 158.1 | 176.1 | 32.5 | -35.3 | 0 | 0 | 0 | 112.7 | | |
| 279 | P | 47.6 | Very low | 47.7 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 77% | 0.766 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 158.6 | -178.2 | 31.9 | -36.5 | 0 | 0 | 0 | 113.3 | | |
| 280 | P | 46.9 | Very low | 48.1 | Very low | 128 Ų | 128 | 140 Ų | 140 | 83% | 0.831 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 152.6 | 179.6 | 31.7 | -35.4 | 0 | 0 | 0 | 112.8 | | |
| 281 | A | 45.3 | Very low | 47.9 | Very low | 90 Ų | 90 | 139.9 Ų | 139.9 | 74% | 0.744 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 153 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 282 | P | 46.9 | Very low | 48.4 | Very low | 133 Ų | 133 | 143.4 Ų | 143.4 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 145.9 | 178.9 | -13.9 | 29.8 | 0 | 0 | 0 | 113.5 | | |
| 283 | V | 47.9 | Very low | 48.8 | Very low | 150 Ų | 150 | 144.8 Ų | 144.8 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 138.4 | 176.1 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 284 | G | 44.7 | Very low | 49.1 | Very low | 72 Ų | 72 | 144.8 Ų | 144.8 | 74% | 0.742 | 82% | 0.822 | S | S | * | * | | | trans | 105.5 | 126.7 | 155.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 285 | G | 35.7 | Very low | 49.6 | Very low | 77 Ų | 77 | 142.7 Ų | 142.7 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | | | trans | 165.1 | 81.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 286 | H | 43.8 | Very low | 50.1 | Low | 191 Ų | 191 | 137 Ų | 137 | 88% | 0.884 | 81% | 0.811 | S | S | * | * | | | trans | -79.5 | 150.1 | 178.7 | -53.7 | -81.5 | 0 | 0 | 0 | 112.1 | | |
| 287 | R | 41.4 | Very low | 50.1 | Low | 244 Ų | 244 | 137.2 Ų | 137.2 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | | | trans | -122.5 | 135 | 171.6 | -113.5 | -167.9 | 179.7 | -149.6 | 0.7 | 110.5 | | |
| 288 | P | 45.3 | Very low | 50.2 | Low | 124 Ų | 124 | 137 Ų | 137 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | | | trans | -79.8 | 150.5 | 174.2 | 32.7 | -33.9 | 0 | 0 | 0 | 112 | | |
| 289 | S | 41.1 | Very low | 49.9 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | | | trans | -83.1 | 145.2 | 173.3 | 37.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 290 | M | 52.4 | Low | 50.3 | Low | 179 Ų | 179 | 137.4 Ų | 137.4 | 88% | 0.882 | 82% | 0.816 | S | S | * | * | | | trans | -108.6 | 141.9 | 173.4 | -67.3 | -82.1 | -113.3 | 0 | 0 | 109.9 | | |
| 291 | P | 50.8 | Low | 50.6 | Low | 125 Ų | 125 | 137.9 Ų | 137.9 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | | | trans | -70.6 | 160.1 | -176.4 | -17.8 | 32.5 | 0 | 0 | 0 | 114 | | |
| 292 | R | 54 | Low | 50.4 | Low | 239 Ų | 239 | 140.7 Ų | 140.7 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | | | trans | -115.2 | 36.3 | -162.8 | -155.4 | -167.6 | -163.5 | 164.3 | 5.9 | 114.1 | | |
| 293 | D | 55.6 | Low | 50 | Low | 142 Ų | 142 | 139.4 Ų | 139.4 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | | | trans | -130 | 69 | -173 | -71.8 | -68.2 | 0 | 0 | 0 | 112.8 | | |
| 294 | M | 57.2 | Low | 49.6 | Very low | 170 Ų | 170 | 141.4 Ų | 141.4 | 84% | 0.837 | 81% | 0.809 | S | S | * | * | | | trans | -151.6 | 130.9 | 163.1 | -151.3 | 63.1 | 65.9 | 0 | 0 | 110.9 | | |
| 295 | P | 65.8 | Low | 49.2 | Very low | 106 Ų | 106 | 143.9 Ų | 143.9 | 69% | 0.688 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -72 | 151.8 | 175.8 | 29.8 | -34.4 | 0 | 0 | 0 | 111.7 | | |
| 296 | P | 62.3 | Low | 49 | Very low | 119 Ų | 119 | 145.9 Ų | 145.9 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 147.7 | -178.6 | 29.8 | -35.2 | 0 | 0 | 0 | 112.4 | | |
| 297 | P | 56.4 | Low | 48.6 | Very low | 118 Ų | 118 | 141.2 Ų | 141.2 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 152.2 | 177.6 | 29.8 | -35.2 | 0 | 0 | 0 | 112.3 | | |
| 298 | P | 60.2 | Low | 48.2 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 74% | 0.74 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 153.7 | 177.8 | 30.7 | -35.6 | 0 | 0 | 0 | 112.2 | S300 | P298-S300 PolarHBondContact O-N 2.93Š|
| 299 | P | 47.6 | Very low | 48.1 | Very low | 123 Ų | 123 | 135.4 Ų | 135.4 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 125.3 | -178.4 | 29.2 | -34.2 | 0 | 0 | 0 | 112.4 | | |
| 300 | S | 55.3 | Low | 47.7 | Very low | 123 Ų | 123 | 134.8 Ų | 134.8 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 135.9 | 174.7 | -52.7 | 0 | 0 | 0 | 0 | 112.4 | P298 | P298-S300 PolarHBondContact O-N 2.93Š|
| 301 | V | 52.4 | Low | 46.9 | Very low | 137 Ų | 137 | 131.3 Ų | 131.3 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | | | trans | -106.5 | 146.4 | 172.2 | -69.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 302 | N | 41.3 | Very low | 46 | Very low | 150 Ų | 150 | 132.1 Ų | 132.1 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | | | trans | 68 | 144.9 | -175.5 | -108 | 3.3 | 0 | 0 | 0 | 114.5 | | |
| 303 | S | 38.5 | Very low | 44.9 | Very low | 105 Ų | 105 | 124.5 Ų | 124.5 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | | | cis | -143.1 | 157.9 | 28.5 | -63.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 304 | K | 39.1 | Very low | 43.7 | Very low | 192 Ų | 192 | 129 Ų | 129 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 149 | 168.7 | -65 | 172.6 | 179.9 | 173 | 0 | 111.1 | | |
| 305 | P | 37.7 | Very low | 42.8 | Very low | 125 Ų | 125 | 126 Ų | 126 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 151 | 169.5 | 30.5 | -33.9 | 0 | 0 | 0 | 112 | | |
| 306 | S | 31.9 | Very low | 41.8 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 152.1 | -178.2 | -170 | 0 | 0 | 0 | 0 | 113.1 | | |
| 307 | A | 35.3 | Very low | 40.5 | Very low | 92 Ų | 92 | 125.2 Ų | 125.2 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | | | trans | -123.1 | 124.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 308 | S | 32.6 | Very low | 39.6 | Very low | 117 Ų | 117 | 124.9 Ų | 124.9 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -70.2 | 141.4 | -176.6 | -48 | 0 | 0 | 0 | 0 | 112.5 | | |
| 309 | P | 42.4 | Very low | 38.8 | Very low | 130 Ų | 130 | 125.3 Ų | 125.3 | 84% | 0.844 | 80% | 0.804 | S | S | * | * | | | trans | -94.6 | 138.3 | 167.1 | 34.8 | -29.9 | 0 | 0 | 0 | 111.5 | | |
| 310 | S | 33.1 | Very low | 38.4 | Very low | 106 Ų | 106 | 123.1 Ų | 123.1 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | | | trans | -113.8 | 124.8 | 166.5 | 53.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 311 | S | 35.3 | Very low | 37.9 | Very low | 105 Ų | 105 | 123.8 Ų | 123.8 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | | | trans | 44.8 | 133.7 | 149 | 60 | 0 | 0 | 0 | 0 | 119.6 | | |
| 312 | T | 32.6 | Very low | 37.7 | Very low | 143 Ų | 143 | 122.5 Ų | 122.5 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | | | cis | -176.8 | 155.2 | 9.5 | 10.9 | 0 | 0 | 0 | 0 | 106.7 | | |
| 313 | G | 30.1 | Very low | 38.1 | Very low | 78 Ų | 78 | 121.3 Ų | 121.3 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | 152.1 | 37.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 314 | R | 31.8 | Very low | 38.7 | Very low | 236 Ų | 236 | 124.2 Ų | 124.2 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | | | trans | 30.9 | 96.6 | 143.5 | -164.2 | 174.9 | 175.8 | -132.4 | 1.1 | 121.5 | | |
| 315 | S | 36.5 | Very low | 39.5 | Very low | 108 Ų | 108 | 120.6 Ų | 120.6 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | | | trans | 73.1 | 173.2 | 132.6 | -43.2 | 0 | 0 | 0 | 0 | 119.7 | | |
| 316 | P | 45.7 | Very low | 39.9 | Very low | 120 Ų | 120 | 120.9 Ų | 120.9 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | | | | -136.1 | 172.4 | -86.6 | 40.6 | -22.5 | 0 | 0 | 0 | 117.3 | | |
| 317 | A | 35.3 | Very low | 40.3 | Very low | 89 Ų | 89 | 118.8 Ų | 118.8 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | | | trans | 75.9 | 134.8 | 150.9 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 318 | S | 36.5 | Very low | 40.8 | Very low | 110 Ų | 110 | 126 Ų | 126 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | | | trans | 75.7 | 136.4 | 150.8 | 66.7 | 0 | 0 | 0 | 0 | 121.8 | | |
| 319 | S | 44 | Very low | 41.3 | Very low | 123 Ų | 123 | 126.6 Ų | 126.6 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | | | trans | 49 | 104.8 | 160.4 | 54.8 | 0 | 0 | 0 | 0 | 119.4 | | |
| 320 | G | 39.5 | Very low | 41.6 | Very low | 77 Ų | 77 | 123.3 Ų | 123.3 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | | | trans | 177.8 | 124.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 321 | V | 43.4 | Very low | 42.8 | Very low | 138 Ų | 138 | 124.1 Ų | 124.1 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 136.3 | 177.9 | -172.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 322 | P | 49.1 | Very low | 43.9 | Very low | 109 Ų | 109 | 124.4 Ų | 124.4 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 138.7 | 171.9 | 29 | -33.9 | 0 | 0 | 0 | 110.7 | | |
| 323 | P | 49.5 | Very low | 44.7 | Very low | 125 Ų | 125 | 123.7 Ų | 123.7 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 147.8 | -175.8 | 28.1 | -35.2 | 0 | 0 | 0 | 112.6 | | |
| 324 | L | 50.7 | Low | 45.6 | Very low | 166 Ų | 166 | 127.4 Ų | 127.4 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 139.8 | 173.6 | -68.2 | 170.9 | 0 | 0 | 0 | 111 | | |
| 325 | P | 56.3 | Low | 46.6 | Very low | 117 Ų | 117 | 121.2 Ų | 121.2 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 139.1 | 174.8 | 29.2 | -34 | 0 | 0 | 0 | 111.2 | | |
| 326 | P | 45.9 | Very low | 46.9 | Very low | 131 Ų | 131 | 122.3 Ų | 122.3 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -74.9 | 146.2 | -178.9 | 30.4 | -35 | 0 | 0 | 0 | 112.3 | | |
| 327 | G | 41.3 | Very low | 46.4 | Very low | 74 Ų | 74 | 120.2 Ų | 120.2 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | | | trans | 94.7 | 79 | 161.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 328 | R | 44.8 | Very low | 46.4 | Very low | 244 Ų | 244 | 125.5 Ų | 125.5 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | | | trans | -114.8 | 117.5 | 149.5 | -77.4 | -174.7 | 175.8 | -121 | 2.9 | 108.9 | G330 | R328-G330 PolarHBondContact O-N 3.46Š|
| 329 | P | 43.8 | Very low | 46.3 | Very low | 130 Ų | 130 | 124.2 Ų | 124.2 | 84% | 0.844 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 127.8 | 161.5 | -17.5 | 31.4 | 0 | 0 | 0 | 108.6 | | |
| 330 | G | 47.5 | Very low | 45.7 | Very low | 61 Ų | 61 | 122.5 Ų | 122.5 | 63% | 0.629 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 168.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.1 | R328 | R328-G330 PolarHBondContact O-N 3.46Š|
| 331 | P | 59.9 | Low | 45.5 | Very low | 123 Ų | 123 | 122.1 Ų | 122.1 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 151.6 | 169.1 | 28.4 | -34.7 | 0 | 0 | 0 | 110.7 | | |
| 332 | P | 58.2 | Low | 45.2 | Very low | 111 Ų | 111 | 123.8 Ų | 123.8 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 147.1 | -179.5 | 28.3 | -35.1 | 0 | 0 | 0 | 111.4 | | |
| 333 | P | 47.8 | Very low | 44.9 | Very low | 127 Ų | 127 | 125.9 Ų | 125.9 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 137.7 | 177.8 | 28.7 | -34.1 | 0 | 0 | 0 | 111.3 | | |
| 334 | I | 50.7 | Low | 44.6 | Very low | 156 Ų | 156 | 128.6 Ų | 128.6 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 133.8 | 170.8 | -57.8 | 172.4 | 0 | 0 | 0 | 107.7 | | |
| 335 | P | 51.6 | Low | 44.3 | Very low | 107 Ų | 107 | 128 Ų | 128 | 70% | 0.695 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 143.8 | 176.6 | 28.6 | -34.6 | 0 | 0 | 0 | 111.4 | G337 | P335-G337 PolarHBondContact O-N 3.44Š|
| 336 | P | 43.3 | Very low | 44.2 | Very low | 131 Ų | 131 | 128.1 Ų | 128.1 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | | | trans | -74.3 | 109.5 | -179 | 29.5 | -33.6 | 0 | 0 | 0 | 111.3 | | |
| 337 | G | 35.5 | Very low | 44.3 | Very low | 76 Ų | 76 | 127.8 Ų | 127.8 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | | | trans | -81.9 | 125.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | P335 | P335-G337 PolarHBondContact O-N 3.44Š|
| 338 | Q | 35 | Very low | 44.4 | Very low | 199 Ų | 199 | 135.5 Ų | 135.5 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | | | trans | -75.6 | 132.5 | 175.8 | -73.4 | -179.3 | -26.7 | 0 | 0 | 111.6 | | |
| 339 | G | 34 | Very low | 44.5 | Very low | 83 Ų | 83 | 131.2 Ų | 131.2 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | | | trans | 26.6 | 119.2 | 149.5 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 340 | G | 32.8 | Very low | 44.8 | Very low | 87 Ų | 87 | 131.1 Ų | 131.1 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | | | trans | 98.8 | 149.3 | 134.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 341 | G | 35.4 | Very low | 44.4 | Very low | 69 Ų | 69 | 135.3 Ų | 135.3 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | | | trans | 109.1 | 103.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 342 | E | 36.4 | Very low | 43.6 | Very low | 173 Ų | 173 | 138.6 Ų | 138.6 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | | | trans | -24.8 | 148.1 | 156.5 | 57.8 | -123.4 | 145.9 | 0 | 0 | 120.1 | | |
| 343 | D | 42 | Very low | 42.8 | Very low | 153 Ų | 153 | 140.9 Ų | 140.9 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | 32.3 | 118.9 | 143.6 | -56.9 | -34.7 | 0 | 0 | 0 | 121.1 | | |
| 344 | Q | 43.9 | Very low | 42.6 | Very low | 182 Ų | 182 | 140.4 Ų | 140.4 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | | | trans | -179.7 | 113.7 | 133.1 | -94 | -82.3 | 15.5 | 0 | 0 | 109.9 | T346 | Q344-T346 PolarHBondContact O-N 3.29Š|
| 345 | N | 44.9 | Very low | 42.2 | Very low | 155 Ų | 155 | 139 Ų | 139 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | | | trans | -101.4 | 71.7 | -167.8 | -161.7 | -13.2 | 0 | 0 | 0 | 113 | | |
| 346 | T | 52.8 | Low | 41.9 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 72% | 0.724 | 82% | 0.82 | S | S | * | * | | | trans | -152.8 | 105.8 | 165.7 | 41.5 | 0 | 0 | 0 | 0 | 114.1 | Q344 | Q344-T346 PolarHBondContact O-N 3.29Š|
| 347 | P | 47.8 | Very low | 41.5 | Very low | 124 Ų | 124 | 143 Ų | 143 | 81% | 0.805 | 82% | 0.82 | S | S | * | * | | | trans | -82.8 | 115.9 | 165.5 | 30.2 | -30.2 | 0 | 0 | 0 | 111.6 | | |
| 348 | R | 45.3 | Very low | 41.5 | Very low | 236 Ų | 236 | 143.7 Ų | 143.7 | 89% | 0.891 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 133.7 | -178.5 | -179.4 | 174 | 176.2 | -105.1 | 7.9 | 112.7 | | |
| 349 | L | 46.3 | Very low | 41.7 | Very low | 155 Ų | 155 | 142.8 Ų | 142.8 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 133 | 179.2 | -69.3 | 169.4 | 0 | 0 | 0 | 113.4 | | |
| 350 | P | 49.5 | Very low | 42 | Very low | 128 Ų | 128 | 145 Ų | 145 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 133.7 | 163.4 | -20.3 | 34.2 | 0 | 0 | 0 | 112.1 | | |
| 351 | Q | 40.1 | Very low | 42.2 | Very low | 148 Ų | 148 | 147 Ų | 147 | 69% | 0.692 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 140.9 | -179.1 | -83.7 | -173.6 | 0 | 0 | 0 | 113.2 | | |
| 352 | R | 42.1 | Very low | 42.4 | Very low | 193 Ų | 193 | 148.2 Ų | 148.2 | 73% | 0.728 | 81% | 0.805 | S | S | * | * | | | trans | 54.4 | 125.8 | 148 | -58.2 | 174.7 | -168.8 | 138.1 | -1 | 118.8 | | |
| 353 | N | 41.4 | Very low | 42.8 | Very low | 158 Ų | 158 | 145.6 Ų | 145.6 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | | | | -165.7 | 123.8 | 91.3 | -95.6 | -24.8 | 0 | 0 | 0 | 111.8 | | |
| 354 | S | 42.9 | Very low | 43 | Very low | 118 Ų | 118 | 144.4 Ų | 144.4 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | | | trans | -92.7 | 126.8 | 171.9 | -51.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 355 | S | 43.3 | Very low | 42.6 | Very low | 125 Ų | 125 | 141.9 Ų | 141.9 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | | | trans | -157.7 | 122.2 | 157.5 | -80.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 356 | L | 44.4 | Very low | 42.1 | Very low | 165 Ų | 165 | 138.3 Ų | 138.3 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | | | trans | -74.4 | 147.4 | 166.1 | -66.8 | 152 | 0 | 0 | 0 | 108.6 | | |
| 357 | N | 35.7 | Very low | 41.4 | Very low | 158 Ų | 158 | 144.8 Ų | 144.8 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | | | trans | -161.8 | 141 | 130.7 | -104.5 | -2.4 | 0 | 0 | 0 | 112.2 | | |
| 358 | S | 36.5 | Very low | 41.4 | Very low | 91 Ų | 91 | 144.9 Ų | 144.9 | 64% | 0.636 | 82% | 0.821 | S | S | * | * | | | trans | -70.7 | 153 | 170.1 | 44.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 359 | H | 37.3 | Very low | 41.7 | Very low | 180 Ų | 180 | 136.3 Ų | 136.3 | 83% | 0.833 | 81% | 0.806 | S | S | * | * | | | trans | -170.3 | 148.3 | 130.1 | -89.2 | -49.4 | 0 | 0 | 0 | 112.1 | | |
| 360 | T | 41 | Very low | 42.2 | Very low | 128 Ų | 128 | 135.3 Ų | 135.3 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 139.3 | 177.1 | 46 | 0 | 0 | 0 | 0 | 112.1 | | |
| 361 | P | 37.8 | Very low | 42.5 | Very low | 131 Ų | 131 | 137 Ų | 137 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -82 | 129.1 | 166.9 | -8 | 25.8 | 0 | 0 | 0 | 111.7 | | |
| 362 | A | 39 | Very low | 43.4 | Very low | 93 Ų | 93 | 135.3 Ų | 135.3 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 149.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 363 | P | 45.3 | Very low | 44.5 | Very low | 118 Ų | 118 | 131.7 Ų | 131.7 | 77% | 0.766 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 153.9 | 172.4 | 33.8 | -33.6 | 0 | 0 | 0 | 112.3 | | |
| 364 | P | 45 | Very low | 45.6 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 154.1 | -173.1 | 33.1 | -36.6 | 0 | 0 | 0 | 114.6 | | |
| 365 | S | 35.5 | Very low | 46.1 | Very low | 128 Ų | 128 | 129.7 Ų | 129.7 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 142.8 | 174 | -56.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 366 | G | 35.8 | Very low | 46.4 | Very low | 80 Ų | 80 | 131.1 Ų | 131.1 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | | | trans | 123 | 83.2 | 151.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 367 | R | 37.9 | Very low | 46.3 | Very low | 255 Ų | 255 | 132.2 Ų | 132.2 | 96% | 0.962 | 81% | 0.805 | S | S | * | * | | | trans | -145.2 | 126.9 | 144.4 | -142 | 176.9 | -172 | -141.4 | 1 | 110.3 | | |
| 368 | S | 46.7 | Very low | 47 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 88% | 0.881 | 81% | 0.805 | S | S | * | * | | | trans | -82.3 | 132.6 | -168.4 | 50.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 369 | G | 53.3 | Low | 47.8 | Very low | 55 Ų | 55 | 136.1 Ų | 136.1 | 57% | 0.567 | 81% | 0.808 | S | S | * | * | | | trans | -169.4 | 147.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 370 | P | 56.8 | Low | 48.2 | Very low | 135 Ų | 135 | 132.9 Ų | 132.9 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 135.1 | -178.7 | 27.7 | -33.6 | 0 | 0 | 0 | 111.1 | | |
| 371 | L | 55.1 | Low | 48.2 | Very low | 162 Ų | 162 | 132.2 Ų | 132.2 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 146.1 | 178.6 | -65.9 | 169.4 | 0 | 0 | 0 | 111.1 | | |
| 372 | P | 58.8 | Low | 48.4 | Very low | 113 Ų | 113 | 132.5 Ų | 132.5 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 145.1 | 167.3 | 29.7 | -33.8 | 0 | 0 | 0 | 110.3 | | |
| 373 | P | 64.9 | Low | 48.3 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 151.9 | 177.9 | 28.7 | -34.9 | 0 | 0 | 0 | 111.7 | | |
| 374 | P | 65 | Low | 47.9 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 69% | 0.688 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 150.5 | 176.1 | 29.5 | -35.4 | 0 | 0 | 0 | 111.5 | N376 | P374-N376 PolarHBondContact O-N 2.95Å; P374-N376 VanDerWaalsContact O-N 3.07Å |
| 375 | P | 53.4 | Low | 47.5 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | | | trans | -66.4 | 109.4 | 175.3 | 26.9 | -33.2 | 0 | 0 | 0 | 110.8 | E377 | P375-E377 PolarHBondContact O-N 2.85Š|
| 376 | N | 49.3 | Very low | 47.4 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | | | trans | -75.8 | 95.4 | 172.6 | -102.2 | -22.9 | 0 | 0 | 0 | 110.3 | P374 | P374-N376 PolarHBondContact O-N 2.95Å; P374-N376 VanDerWaalsContact O-N 3.07Å |
| 377 | E | 41.8 | Very low | 47.4 | Very low | 189 Ų | 189 | 142 Ų | 142 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | | | trans | -121.6 | 69.4 | 163.8 | -70.8 | -161.6 | 176 | 0 | 0 | 111.2 | P375 | P375-E377 PolarHBondContact O-N 2.85Š|
| 378 | R | 49.8 | Very low | 47.4 | Very low | 223 Ų | 223 | 134.9 Ų | 134.9 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 116 | 159.6 | -166.9 | -178.6 | -165.7 | -142.7 | 4.1 | 107.7 | | |
| 379 | P | 55.3 | Low | 47.4 | Very low | 107 Ų | 107 | 134.9 Ų | 134.9 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 145.1 | 175.4 | 27.3 | -33.5 | 0 | 0 | 0 | 110.2 | S381 | P379-S381 PolarHBondContact O-N 3.34Š|
| 380 | P | 44.3 | Very low | 46.6 | Very low | 112 Ų | 112 | 144 Ų | 144 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 132.5 | -177.5 | 27.6 | -34.1 | 0 | 0 | 0 | 111.4 | V382 | P380-V382 PolarHBondContact O-N 2.86Å; P380-V382 VanDerWaalsContact O-N 3.1Å |
| 381 | S | 42.2 | Very low | 45.9 | Very low | 115 Ų | 115 | 144.3 Ų | 144.3 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | -73.8 | 94.7 | 168 | 53.1 | 0 | 0 | 0 | 0 | 109.7 | P379 G383 | P379-S381 PolarHBondContact O-N 3.34Å; S381-G383 PolarHBondContact O-N 3.12Å; S381-G383 VanDerWaalsContact O-N 3.12Å |
| 382 | V | 41.8 | Very low | 45.7 | Very low | 136 Ų | 136 | 139.7 Ų | 139.7 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | | | trans | -70.9 | 107.2 | 178.1 | 177.8 | 0 | 0 | 0 | 0 | 110.8 | P380 | P380-V382 PolarHBondContact O-N 2.86Å; P380-V382 VanDerWaalsContact O-N 3.1Å |
| 383 | G | 37.1 | Very low | 45.1 | Very low | 67 Ų | 67 | 140.7 Ų | 140.7 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | | | | 57.8 | 95.5 | 126.5 | 0 | 0 | 0 | 0 | 0 | 118 | S381 | S381-G383 PolarHBondContact O-N 3.12Å; S381-G383 VanDerWaalsContact O-N 3.12Å |
| 384 | R | 36.7 | Very low | 44.7 | Very low | 233 Ų | 233 | 142.8 Ų | 142.8 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | | | trans | -80.8 | 124.5 | 163 | -179.2 | 179.1 | -176.1 | 172.1 | 0.7 | 110.2 | | |
| 385 | N | 35.3 | Very low | 44.4 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | | | trans | 60.7 | 120.5 | 166 | -70.1 | -18 | 0 | 0 | 0 | 119.5 | | |
| 386 | Q | 34.3 | Very low | 44.7 | Very low | 198 Ų | 198 | 142.7 Ų | 142.7 | 93% | 0.925 | 80% | 0.802 | S | S | * | * | | | | -147.5 | 153 | 114.3 | -70.1 | -154.9 | -3.2 | 0 | 0 | 110.3 | | |
| 387 | S | 34.7 | Very low | 45.5 | Very low | 109 Ų | 109 | 140.7 Ų | 140.7 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | | | trans | -79.1 | 163.2 | 176.9 | 52.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 388 | S | 39.6 | Very low | 46.2 | Very low | 105 Ų | 105 | 137.2 Ų | 137.2 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | | | cis | -165.2 | -159.5 | 46.6 | -48.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 389 | P | 46.9 | Very low | 46.1 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | | | | -93.3 | 157.4 | -127.4 | 40.9 | -29.5 | 0 | 0 | 0 | 116.1 | | |
| 390 | R | 35.1 | Very low | 45.9 | Very low | 248 Ų | 248 | 133.4 Ų | 133.4 | 94% | 0.936 | 80% | 0.799 | S | S | * | * | | | trans | -142.5 | 141.1 | 152.6 | -157.7 | 170.5 | -176.1 | -154.2 | -0.4 | 111.7 | | |
| 391 | T | 42.4 | Very low | 45.6 | Very low | 140 Ų | 140 | 131.4 Ų | 131.4 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | | | trans | -88.6 | 147.5 | -164.3 | 39.5 | 0 | 0 | 0 | 0 | 114 | | |
| 392 | G | 50.7 | Low | 45.5 | Very low | 65 Ų | 65 | 138 Ų | 138 | 67% | 0.67 | 81% | 0.806 | S | S | * | * | | | trans | -169.2 | 137.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 393 | P | 47.4 | Very low | 45.6 | Very low | 134 Ų | 134 | 136.9 Ų | 136.9 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 145.5 | -172.2 | 30.5 | -34.8 | 0 | 0 | 0 | 112.5 | | |
| 394 | L | 55.8 | Low | 46 | Very low | 162 Ų | 162 | 142.6 Ų | 142.6 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 147.9 | 172 | -66.9 | 170.4 | 0 | 0 | 0 | 110.9 | | |
| 395 | P | 58.6 | Low | 45.8 | Very low | 113 Ų | 113 | 135 Ų | 135 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 151 | 171.6 | 30.3 | -34.7 | 0 | 0 | 0 | 111.6 | | |
| 396 | P | 60.3 | Low | 45.6 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 77% | 0.766 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 150.8 | -177.6 | 30.6 | -35.8 | 0 | 0 | 0 | 112.8 | | |
| 397 | P | 64.8 | Low | 45.5 | Very low | 113 Ų | 113 | 126.9 Ų | 126.9 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 152 | 171.7 | 31.7 | -34.9 | 0 | 0 | 0 | 111.9 | | |
| 398 | P | 56.6 | Low | 45.4 | Very low | 117 Ų | 117 | 126.8 Ų | 126.8 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -67 | 149.9 | 172.5 | 29 | -34.5 | 0 | 0 | 0 | 111.5 | | |
| 399 | P | 48.6 | Very low | 45.7 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 83% | 0.831 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 133.5 | -168.1 | 29.7 | -35.5 | 0 | 0 | 0 | 113.8 | G401 | P399-G401 PolarHBondContact O-N 2.79Š|
| 400 | S | 50.6 | Low | 45.1 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | | | trans | -85.4 | 98.2 | 166.2 | -64.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 401 | G | 37.3 | Very low | 45 | Very low | 70 Ų | 70 | 128.1 Ų | 128.1 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | | | trans | -107.9 | 113.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | P399 | P399-G401 PolarHBondContact O-N 2.79Š|
| 402 | R | 40.6 | Very low | 44.6 | Very low | 252 Ų | 252 | 128 Ų | 128 | 95% | 0.951 | 82% | 0.815 | S | S | * | * | | | | 67.4 | 119.9 | 67.6 | -71.1 | -164.3 | 168.2 | -150.7 | -2.3 | 114 | | |
| 403 | S | 44.7 | Very low | 43.8 | Very low | 113 Ų | 113 | 134 Ų | 134 | 79% | 0.79 | 83% | 0.826 | S | S | * | * | | | trans | -77 | 136.7 | -176.4 | 177.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 404 | M | 44.3 | Very low | 43 | Very low | 187 Ų | 187 | 132.6 Ų | 132.6 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | | | trans | -154.7 | 144.8 | 152.8 | -62.4 | -64.6 | -90.7 | 0 | 0 | 106.3 | | |
| 405 | G | 32.7 | Very low | 41.8 | Very low | 75 Ų | 75 | 129.1 Ų | 129.1 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | | | cis | 147.9 | 69.3 | -3.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 406 | G | 32.3 | Very low | 41 | Very low | 88 Ų | 88 | 129.3 Ų | 129.3 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | | | trans | 76 | 152.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 407 | G | 32 | Very low | 40.9 | Very low | 80 Ų | 80 | 129.4 Ų | 129.4 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | | | cis | -145.8 | -178.1 | -9.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 408 | S | 32.5 | Very low | 39.4 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 75% | 0.748 | 83% | 0.826 | S | S | * | * | | | cis | -176.8 | 137.8 | 48.2 | -172.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 409 | L | 45.7 | Very low | 38.3 | Very low | 161 Ų | 161 | 131.3 Ų | 131.3 | 84% | 0.843 | 83% | 0.826 | S | S | * | * | | | trans | 51.9 | 103.6 | 152.5 | -58.9 | 171.4 | 0 | 0 | 0 | 122.8 | | |
| 410 | R | 34.2 | Very low | 37.9 | Very low | 252 Ų | 252 | 136.5 Ų | 136.5 | 95% | 0.951 | 83% | 0.829 | S | S | * | * | | | | -169.8 | 148.1 | 106.3 | -104.7 | -176.1 | 179.9 | -143.5 | 0.1 | 113.6 | | |
| 411 | A | 33.8 | Very low | 37.3 | Very low | 93 Ų | 93 | 137 Ų | 137 | 77% | 0.769 | 83% | 0.83 | S | S | * | * | | | trans | -49.5 | 164.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 412 | T | 33.8 | Very low | 37.2 | Very low | 139 Ų | 139 | 137 Ų | 137 | 85% | 0.853 | 83% | 0.83 | S | S | * | * | | | cis | -143.7 | 173.6 | 22.5 | 45.8 | 0 | 0 | 0 | 0 | 113 | | |
| 413 | Q | 33.5 | Very low | 38.1 | Very low | 191 Ų | 191 | 131 Ų | 131 | 89% | 0.893 | 82% | 0.824 | S | S | * | * | | | trans | -99.4 | 144.2 | -177.2 | -63.9 | 177.6 | 0.2 | 0 | 0 | 114.8 | | |
| 414 | A | 29.3 | Very low | 37.5 | Very low | 103 Ų | 103 | 134.1 Ų | 134.1 | 85% | 0.851 | 83% | 0.826 | S | S | * | * | | | trans | 10 | 154.7 | 134.8 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 415 | A | 31 | Very low | 37.6 | Very low | 90 Ų | 90 | 129.6 Ų | 129.6 | 74% | 0.744 | 81% | 0.81 | S | S | * | * | | | cis | -161.9 | -150.5 | -2.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 416 | P | 42.4 | Very low | 38.4 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | | | cis | -117.1 | -171.2 | -40.3 | 41.9 | -26.3 | 0 | 0 | 0 | 111.9 | | |
| 417 | P | 57.6 | Low | 38.8 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | | | trans | -100.3 | 143 | -177.2 | 36.4 | -31 | 0 | 0 | 0 | 115 | | |
| 418 | I | 34.6 | Very low | 39.4 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 82% | 0.821 | 82% | 0.815 | S | S | * | * | | | trans | -156 | 136.3 | 172.1 | -107.2 | 151.3 | 0 | 0 | 0 | 113.9 | | |
| 419 | S | 32.9 | Very low | 39.6 | Very low | 110 Ų | 110 | 138 Ų | 138 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | | | trans | 56.4 | 138.9 | 153 | -60.8 | 0 | 0 | 0 | 0 | 125.1 | | |
| 420 | R | 41 | Very low | 39.7 | Very low | 237 Ų | 237 | 137.2 Ų | 137.2 | 89% | 0.894 | 82% | 0.817 | S | S | * | * | | | trans | -57 | 157.7 | 157.9 | -74.5 | 174.6 | 162.2 | -170.4 | -5.5 | 112.5 | | |
| 421 | P | 38 | Very low | 40.2 | Very low | 132 Ų | 132 | 128.8 Ų | 128.8 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | | | | -118.7 | 172.9 | 119.5 | -7.1 | 27.2 | 0 | 0 | 0 | 114.6 | | |
| 422 | G | 33.5 | Very low | 40.7 | Very low | 71 Ų | 71 | 128.1 Ų | 128.1 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | | | trans | -105.6 | -146.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 423 | P | 61.1 | Low | 41.9 | Very low | 126 Ų | 126 | 132.9 Ų | 132.9 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | | | trans | -105.4 | 158.6 | -148.6 | 40.1 | -36.3 | 0 | 0 | 0 | 115.8 | | |
| 424 | E | 31.3 | Very low | 42.8 | Very low | 178 Ų | 178 | 129.1 Ų | 129.1 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | | | trans | -154.4 | 167.9 | 169.5 | -102.9 | -65.5 | 86.9 | 0 | 0 | 108.7 | | |
| 425 | P | 47.2 | Very low | 44.3 | Very low | 91 Ų | 91 | 130.1 Ų | 130.1 | 59% | 0.591 | 80% | 0.803 | S | S | * | * | | | | -118.1 | 169.1 | -123.7 | 35.3 | -18.6 | 0 | 0 | 0 | 115.1 | R427 | P425-R427 PolarHBondContact O-N 2.74Å; P425-R427 VanDerWaalsContact O-N 3.17Å |
| 426 | P | 49.2 | Very low | 45.5 | Very low | 132 Ų | 132 | 133.5 Ų | 133.5 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | | | trans | -74.9 | 107.4 | 179.8 | 30.1 | -34.3 | 0 | 0 | 0 | 112 | G428 | P426-G428 PolarHBondContact O-N 3.5Š|
| 427 | R | 41.1 | Very low | 46 | Very low | 247 Ų | 247 | 133.1 Ų | 133.1 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | | | trans | -69.1 | 117.8 | 168 | -162.6 | 176.9 | -172.3 | 99.8 | -2.9 | 109.2 | P425 | P425-R427 PolarHBondContact O-N 2.74Å; P425-R427 VanDerWaalsContact O-N 3.17Å |
| 428 | G | 42.8 | Very low | 46.2 | Very low | 79 Ų | 79 | 133.2 Ų | 133.2 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | | | trans | -69.6 | 151.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | P426 | P426-G428 PolarHBondContact O-N 3.5Š|
| 429 | G | 37 | Very low | 47.1 | Very low | 68 Ų | 68 | 133.4 Ų | 133.4 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | | | trans | -153.8 | 150.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | G431 | G429-G431 PolarHBondContact O-N 2.81Š|
| 430 | P | 48.2 | Very low | 47.9 | Very low | 145 Ų | 145 | 139.5 Ų | 139.5 | 94% | 0.942 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -81.8 | 120.7 | -154.5 | 30.8 | -35.3 | 0 | 0 | 0 | 113.7 | | |
| 431 | G | 44.2 | Very low | 48.3 | Very low | 76 Ų | 76 | 134 Ų | 134 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | | | trans | 176.3 | 68.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | G429 | G429-G431 PolarHBondContact O-N 2.81Š|
| 432 | G | 44.1 | Very low | 49 | Very low | 78 Ų | 78 | 135.3 Ų | 135.3 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 144 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 433 | R | 59.2 | Low | 49.5 | Very low | 239 Ų | 239 | 135 Ų | 135 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 147.5 | 159.2 | -73.8 | -177.7 | 170.5 | -158.1 | -2.2 | 109.2 | | |
| 434 | P | 53.7 | Low | 49 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 147.5 | 169 | 28.1 | -34.6 | 0 | 0 | 0 | 110 | | |
| 435 | P | 59.3 | Low | 49.9 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 150 | 175.3 | 28.6 | -34.4 | 0 | 0 | 0 | 110.8 | | |
| 436 | L | 56.7 | Low | 50.4 | Low | 161 Ų | 161 | 133 Ų | 133 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -68 | 147.8 | 170.8 | -65.3 | 171.4 | 0 | 0 | 0 | 109.8 | | |
| 437 | P | 54.3 | Low | 51 | Low | 109 Ų | 109 | 132.3 Ų | 132.3 | 71% | 0.708 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 150.7 | 177.3 | 29.3 | -35.2 | 0 | 0 | 0 | 111 | | |
| 438 | P | 60.1 | Low | 51.8 | Low | 122 Ų | 122 | 126.1 Ų | 126.1 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -69 | 138 | -178.5 | 28.2 | -34.7 | 0 | 0 | 0 | 112 | R440 | P438-R440 PolarHBondContact O-N 3.08Š|
| 439 | D | 55.1 | Low | 52.9 | Low | 164 Ų | 164 | 127.5 Ų | 127.5 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 127.5 | 174.8 | -64.3 | -60.6 | 0 | 0 | 0 | 111 | | |
| 440 | R | 49.1 | Very low | 54.1 | Low | 239 Ų | 239 | 130.3 Ų | 130.3 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 143 | 171.7 | -86.6 | -176.9 | 172.8 | 167.1 | -2.3 | 110.3 | P438 | P438-R440 PolarHBondContact O-N 3.08Š|
| 441 | P | 49.2 | Very low | 54.2 | Low | 121 Ų | 121 | 132 Ų | 132 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 152.4 | -178.1 | 28.8 | -35.5 | 0 | 0 | 0 | 111.9 | G443 | P441-G443 PolarHBondContact O-N 2.99Å; P441-G443 VanDerWaalsContact O-N 3.13Å |
| 442 | V | 52.4 | Low | 54.5 | Low | 159 Ų | 159 | 131.7 Ų | 131.7 | 96% | 0.964 | 80% | 0.8 | S | S | * | * | | | trans | -50.5 | 112.8 | 177.9 | 177.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 443 | G | 44.1 | Very low | 54.7 | Low | 64 Ų | 64 | 135.9 Ų | 135.9 | 66% | 0.66 | 81% | 0.805 | S | S | * | * | | | trans | -141.3 | 127.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | P441 L445 | P441-G443 PolarHBondContact O-N 2.99Å; P441-G443 VanDerWaalsContact O-N 3.13Å; G443-L445 PolarHBondContact O-N 2.92Å |
| 444 | G | 49.9 | Very low | 54.2 | Low | 80 Ų | 80 | 127.3 Ų | 127.3 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -59 | 132.2 | -162.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 445 | L | 50.7 | Low | 53.7 | Low | 165 Ų | 165 | 130.7 Ų | 130.7 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -69 | 142.3 | 163.2 | -61.4 | 174.3 | 0 | 0 | 0 | 109 | G443 | G443-L445 PolarHBondContact O-N 2.92Š|
| 446 | P | 58.6 | Low | 53.1 | Low | 109 Ų | 109 | 133.2 Ų | 133.2 | 71% | 0.708 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -61 | 151.2 | 169.3 | 28 | -34.4 | 0 | 0 | 0 | 110.1 | | |
| 447 | P | 61.7 | Low | 52.6 | Low | 117 Ų | 117 | 129.6 Ų | 129.6 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 139.7 | 179.3 | 25.3 | -34.1 | 0 | 0 | 0 | 110.3 | | |
| 448 | P | 58.2 | Low | 52.6 | Low | 117 Ų | 117 | 127.7 Ų | 127.7 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -62 | 141.6 | 178.2 | 26.6 | -34 | 0 | 0 | 0 | 110 | | |
| 449 | P | 65.2 | Low | 52.3 | Low | 108 Ų | 108 | 130 Ų | 130 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 151.1 | 176.4 | 27.2 | -34.6 | 0 | 0 | 0 | 110.4 | M451 | P449-M451 PolarHBondContact O-N 3.32Š|
| 450 | P | 63.4 | Low | 52.3 | Low | 128 Ų | 128 | 128.2 Ų | 128.2 | 83% | 0.831 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 124.8 | 177 | 25 | -33.7 | 0 | 0 | 0 | 109.5 | G452 | P450-G452 VanDerWaalsContact C-N 3.29Å; P450-G452 PolarHBondContact O-N 3.13Å |
| 451 | M | 49.6 | Very low | 52.5 | Low | 181 Ų | 181 | 120.3 Ų | 120.3 | 89% | 0.892 | 73% | 0.727 | S | S | * | * | | | trans | -71.4 | 84.2 | 179.4 | -72 | -179.5 | 61.4 | 0 | 0 | 110.4 | P449 | P449-M451 PolarHBondContact O-N 3.32Š|
| 452 | G | 51 | Low | 53 | Low | 68 Ų | 68 | 120.8 Ų | 120.8 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | | | trans | -63.6 | 134.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | P450 G454 | P450-G452 VanDerWaalsContact C-N 3.29Å; P450-G452 PolarHBondContact O-N 3.13Å; G452-G454 PolarHBondContact O-N 2.87Å; G452-G454 VanDerWaalsContact O-N 3.07Å |
| 453 | N | 47.4 | Very low | 53.3 | Low | 167 Ų | 167 | 120 Ų | 120 | 89% | 0.893 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -66.6 | 106.8 | -175.1 | -72.8 | 42.8 | 0 | 0 | 0 | 112.7 | | |
| 454 | G | 49.5 | Very low | 54 | Low | 58 Ų | 58 | 120.6 Ų | 120.6 | 60% | 0.598 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 104.6 | 149.6 | 153.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | G452 | G452-G454 PolarHBondContact O-N 2.87Å; G452-G454 VanDerWaalsContact O-N 3.07Å |
| 455 | F | 42.4 | Very low | 54.7 | Low | 184 Ų | 184 | 120 Ų | 120 | 81% | 0.807 | 67% | 0.67 | S | S | * | * | | | trans | 71.4 | 73.1 | 168.6 | -44.6 | -70.1 | 0 | 0 | 0 | 117.4 | N457 | F455-N457 VanDerWaalsContact C-N 3.27Å; F455-N457 PolarHBondContact O-N 3.47Å |
| 456 | Q | 47.6 | Very low | 55.7 | Low | 176 Ų | 176 | 116.9 Ų | 116.9 | 82% | 0.822 | 65% | 0.654 | S | S | * | * | | | trans | -65.7 | 82 | 160.7 | -74.7 | -78.4 | -21.3 | 0 | 0 | 111.1 | S458 | Q456-S458 PolarHBondContact OE1-OG 3Š|
| 457 | N | 45.8 | Very low | 56.5 | Low | 85 Ų | 85 | 116.1 Ų | 116.1 | 46% | 0.455 | 64% | 0.64 | S | S | . | * | | | trans | -110.7 | 37.7 | 174.9 | -85.6 | -37.6 | 0 | 0 | 0 | 111.2 | F455 H459 H460 N461 | F455-N457 VanDerWaalsContact C-N 3.27Å; F455-N457 PolarHBondContact O-N 3.47Å; N457-H459 VanDerWaalsContact C-N 3.27Å; N457-H459 PolarHBondContact O-N 2.95Å; N457-H459 VanDerWaalsContact O-N 3.13Å; N457-H460 HydrophobicContact CB-CB 4.49Å; N457-H460 PolarHBondContact O-N 3.21Å; N457-N461 VanDerWaalsContact CB-ND2 3.27Å; N457-N461 WeakPolarHBondContact CB-ND2 3.37Å; N457-N461 PolarHBondContact O-N 3.44Å; N457-N461 PolarHBondContact O-ND2 3.5Å |
| 458 | S | 54.5 | Low | 57 | Low | 69 Ų | 69 | 114.8 Ų | 114.8 | 48% | 0.483 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -60.6 | -27.9 | -166.4 | -49.3 | 0 | 0 | 0 | 0 | 115 | Q456 | Q456-S458 PolarHBondContact OE1-OG 3Å |
| 459 | H | 53.6 | Low | 57.7 | Low | 172 Ų | 172 | 118.8 Ų | 118.8 | 80% | 0.796 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -85.2 | -18.1 | 175.2 | -69.4 | -74.8 | 0 | 0 | 0 | 114.3 | N457 | N457-H459 VanDerWaalsContact C-N 3.27Å; N457-H459 PolarHBondContact O-N 2.95Å; N457-H459 VanDerWaalsContact O-N 3.13Å |
| 460 | H | 54.1 | Low | 58.2 | Low | 125 Ų | 125 | 121.9 Ų | 121.9 | 58% | 0.579 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -91.1 | -39.1 | 177.2 | -171.1 | 48.2 | 0 | 0 | 0 | 111.5 | N457 M463 Q464 | N457-H460 HydrophobicContact CB-CB 4.49Å; N457-H460 PolarHBondContact O-N 3.21Å; H460-M463 PolarHBondContact O-N 3.1Å; H460-Q464 PolarHBondContact O-N 3.03Å |
| 461 | N | 54.4 | Low | 58.8 | Low | 73 Ų | 73 | 121.2 Ų | 121.2 | 39% | 0.39 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -63.2 | -43 | 177.1 | -73 | -86.6 | 0 | 0 | 0 | 111.8 | N457 M463 Q464 D465 | N457-N461 VanDerWaalsContact CB-ND2 3.27Å; N457-N461 WeakPolarHBondContact CB-ND2 3.37Å; N457-N461 PolarHBondContact O-N 3.44Å; N457-N461 PolarHBondContact O-ND2 3.5Å; N461-M463 PolarHBondContact O-N 3.42Å; N461-M463 VanDerWaalsContact O-N 3.08Å; N461-Q464 CarbonylContact O-C 3.49Å; N461-Q464 WeakPolarHBondContact O-CA 3.31Å; N461-Q464 VanDerWaalsContact O-CB 3.31Å; N461-Q464 WeakPolarHBondContact O-CB 3.23Å; N461-Q464 PolarHBondContact O-N 2.83Å; N461-D465 VanDerWaalsContact C-OD2 3.25Å; N461-D465 WeakPolarHBondContact O-CB 3.06Å; N461-D465 PolarHBondContact O-N 3.3Å |
| 462 | Q | 59.5 | Low | 60.3 | Low | 132 Ų | 132 | 118.9 Ų | 118.9 | 62% | 0.617 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -54.8 | -37.6 | -177.7 | -149.3 | 166.3 | 79.2 | 0 | 0 | 113.5 | D466 | Q462-D466 PolarHBondContact O-N 3.49Å |
| 463 | M | 57.3 | Low | 61.8 | Low | 143 Ų | 143 | 122 Ų | 122 | 70% | 0.704 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -77 | -27.1 | 175.1 | -62.6 | -77.9 | -174.5 | 0 | 0 | 113.6 | H460 N461 F467 | H460-M463 PolarHBondContact O-N 3.1Å; N461-M463 PolarHBondContact O-N 3.42Å; N461-M463 VanDerWaalsContact O-N 3.08Å; M463-F467 PolarHBondContact O-N 2.96Å |
| 464 | Q | 59.3 | Low | 63.6 | Low | 75 Ų | 75 | 120.1 Ų | 120.1 | 35% | 0.35 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -76.5 | -44.7 | 176.5 | -172.3 | 70.2 | 27.5 | 0 | 0 | 110.2 | H460 N461 D466 F467 E468 | H460-Q464 PolarHBondContact O-N 3.03Å; N461-Q464 CarbonylContact O-C 3.49Å; N461-Q464 WeakPolarHBondContact O-CA 3.31Å; N461-Q464 VanDerWaalsContact O-CB 3.31Å; N461-Q464 WeakPolarHBondContact O-CB 3.23Å; N461-Q464 PolarHBondContact O-N 2.83Å; Q464-D466 PolarHBondContact O-N 3.2Å; Q464-F467 WeakPolarHBondContact O-CA 3.38Å; Q464-F467 WeakPolarHBondContact O-CB 3.49Å; Q464-F467 PolarHBondContact O-N 3.13Å; Q464-E468 WeakPolarHBondContact CG-OE1 3.43Å; Q464-E468 PolarHBondContact NE2-OE1 3.07Å; Q464-E468 WeakPolarHBondContact O-CG 3.27Å; Q464-E468 PolarHBondContact O-N 3.37Å |
| 465 | D | 65.8 | Low | 65.4 | Low | 69 Ų | 69 | 121.3 Ų | 121.3 | 37% | 0.369 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -55.8 | -50.1 | 172.6 | -63.1 | -44.8 | 0 | 0 | 0 | 109.9 | N461 F467 E468 Y469 | N461-D465 VanDerWaalsContact C-OD2 3.25Å; N461-D465 WeakPolarHBondContact O-CB 3.06Å; N461-D465 PolarHBondContact O-N 3.3Å; D465-F467 PolarHBondContact O-N 3.46Å; D465-F467 VanDerWaalsContact O-N 3.1Å; D465-E468 PolarHBondContact O-N 3.33Å; D465-E468 VanDerWaalsContact O-N 3.12Å; D465-Y469 HydrophobicContact CB-CD2 4.29Å; D465-Y469 HydrophobicContact CB-CE2 4.46Å; D465-Y469 WeakPolarHBondContact O-CB 3.17Å; D465-Y469 VanDerWaalsContact O-CD2 3.31Å; D465-Y469 WeakPolarHBondContact O-CD2 3.45Å; D465-Y469 PolarHBondContact O-N 3.46Å |
| 466 | D | 71 | Confident | 67 | Low | 98 Ų | 98 | 119.6 Ų | 119.6 | 52% | 0.524 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60.1 | -21 | 175.8 | -76.6 | -19.9 | 0 | 0 | 0 | 114.2 | Q462 Q464 R470 | Q462-D466 PolarHBondContact O-N 3.49Å; Q464-D466 PolarHBondContact O-N 3.2Å; D466-R470 PolarHBondContact O-NE 3.47Å; D466-R470 PolarHBondContact O-NH2 2.89Å |
| 467 | F | 74.8 | Confident | 68.7 | Low | 94 Ų | 94 | 116.6 Ų | 116.6 | 41% | 0.412 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -87.2 | -43.1 | 173.2 | -177.3 | -93 | 0 | 0 | 0 | 111.6 | M463 Q464 D465 R470 F471 | M463-F467 PolarHBondContact O-N 2.96Å; Q464-F467 WeakPolarHBondContact O-CA 3.38Å; Q464-F467 WeakPolarHBondContact O-CB 3.49Å; Q464-F467 PolarHBondContact O-N 3.13Å; D465-F467 PolarHBondContact O-N 3.46Å; D465-F467 VanDerWaalsContact O-N 3.1Å; F467-R470 PolarHBondContact O-N 3.14Å; F467-F471 HydrophobicContact CE2-CE2 4.48Å; F467-F471 HydrophobicContact CZ-CE2 4.47Å |
| 468 | E | 71.8 | Confident | 70.8 | Confident | 89 Ų | 89 | 117.4 Ų | 117.4 | 42% | 0.416 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -71.6 | -35 | -179.8 | -70.3 | 178.5 | -163.5 | 0 | 0 | 112.4 | Q464 D465 R470 F471 F473 | Q464-E468 WeakPolarHBondContact CG-OE1 3.43Å; Q464-E468 PolarHBondContact NE2-OE1 3.07Å; Q464-E468 WeakPolarHBondContact O-CG 3.27Å; Q464-E468 PolarHBondContact O-N 3.37Å; D465-E468 PolarHBondContact O-N 3.33Å; D465-E468 VanDerWaalsContact O-N 3.12Å; E468-R470 PolarHBondContact O-N 3.26Å; E468-F471 CarbonylContact O-C 3.34Å; E468-F471 PolarHBondContact O-N 3.46Å; E468-F473 HydrophobicContact CG-CE2 4.34Å |
| 469 | Y | 73 | Confident | 72.4 | Confident | 200 Ų | 200 | 119.2 Ų | 119.2 | 78% | 0.784 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -19.7 | 173.1 | -89.6 | -75.5 | 0 | 0 | 0 | 114.1 | D465 | D465-Y469 HydrophobicContact CB-CD2 4.29Å; D465-Y469 HydrophobicContact CB-CE2 4.46Å; D465-Y469 WeakPolarHBondContact O-CB 3.17Å; D465-Y469 VanDerWaalsContact O-CD2 3.31Å; D465-Y469 WeakPolarHBondContact O-CD2 3.45Å; D465-Y469 PolarHBondContact O-N 3.46Å |
| 470 | R | 77.1 | Confident | 74.2 | Confident | 174 Ų | 174 | 116.2 Ų | 116.2 | 66% | 0.657 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -11.8 | 175 | -74.1 | -177.8 | -72.2 | 156.4 | -2.8 | 113.6 | D466 F467 E468 | D466-R470 PolarHBondContact O-NE 3.47Å; D466-R470 PolarHBondContact O-NH2 2.89Å; F467-R470 PolarHBondContact O-N 3.14Å; E468-R470 PolarHBondContact O-N 3.26Å |
| 471 | F | 76 | Confident | 75.8 | Confident | 113 Ų | 113 | 115.8 Ų | 115.8 | 50% | 0.496 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -135.5 | 103.4 | -179.6 | -72.3 | -81.2 | 0 | 0 | 0 | 109.9 | F467 E468 F473 | F467-F471 HydrophobicContact CE2-CE2 4.48Å; F467-F471 HydrophobicContact CZ-CE2 4.47Å; E468-F471 CarbonylContact O-C 3.34Å; E468-F471 PolarHBondContact O-N 3.46Å; F471-F473 VanDerWaalsContact C-N 3.31Å; F471-F473 HydrophobicContact CB-CD2 4.2Å; F471-F473 HydrophobicContact CB-CE2 3.64Å; F471-F473 HydrophobicContact CB-CZ 3.89Å; F471-F473 WeakPolarHBondContact O-CD2 3.44Å; F471-F473 PolarHBondContact O-N 2.67Å |
| 472 | T | 81.4 | Confident | 77.5 | Confident | 132 Ų | 132 | 118.1 Ų | 118.1 | 81% | 0.81 | 61% | 0.608 | S | S | * | * | | | trans | -63.9 | 92 | 172.9 | -48.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 473 | F | 82.3 | Confident | 79 | Confident | 135 Ų | 135 | 119.2 Ų | 119.2 | 59% | 0.592 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -72 | 129.8 | 172.1 | -69.3 | -77.3 | 0 | 0 | 0 | 109.2 | E468 F471 | E468-F473 HydrophobicContact CG-CE2 4.34Å; F471-F473 VanDerWaalsContact C-N 3.31Å; F471-F473 HydrophobicContact CB-CD2 4.2Å; F471-F473 HydrophobicContact CB-CE2 3.64Å; F471-F473 HydrophobicContact CB-CZ 3.89Å; F471-F473 WeakPolarHBondContact O-CD2 3.44Å; F471-F473 PolarHBondContact O-N 2.67Å |
| 474 | H | 85.1 | Confident | 80.7 | Confident | 127 Ų | 127 | 117.7 Ų | 117.7 | 59% | 0.588 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 138.1 | 172.2 | -61.2 | 61.6 | 0 | 0 | 0 | 107.3 | D478 | H474-D478 HydrophobicContact CB-CB 4.37Å; H474-D478 IonicContact CD2-OD2 3.84Å; H474-D478 PolarHBondContact CD2-OD2 3.46Å; H474-D478 VanDerWaalsContact CD2-OD2 3.25Å; H474-D478 IonicContact CG-OD2 2.67Å |
| 475 | P | 85.9 | Confident | 82.2 | Confident | 83 Ų | 83 | 122.9 Ų | 122.9 | 54% | 0.539 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -61.4 | 151.4 | 179.8 | 27.2 | -34.2 | 0 | 0 | 0 | 109.7 | S477 D478 | P475-S477 PolarHBondContact O-N 2.99Å; P475-D478 HydrophobicContact CG-CB 4.05Å; P475-D478 WeakPolarHBondContact O-CB 3.4Å; P475-D478 PolarHBondContact O-N 3.39Å |
| 476 | I | 77.3 | Confident | 83.4 | Confident | 148 Ų | 148 | 125 Ų | 125 | 76% | 0.759 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -58.4 | -21.1 | -178.6 | -156.1 | 169.9 | 0 | 0 | 0 | 113 | D478 L479 | I476-D478 VanDerWaalsContact C-N 3.3Å; I476-D478 PolarHBondContact O-N 3.22Å; I476-L479 HydrophobicContact CG1-CD1 4.08Å; I476-L479 PolarHBondContact O-N 3.2Å |
| 477 | S | 83.3 | Confident | 84.3 | Confident | 112 Ų | 112 | 125.4 Ų | 125.4 | 78% | 0.783 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -68.3 | -20.5 | 173.6 | -40.4 | 0 | 0 | 0 | 0 | 115 | P475 | P475-S477 PolarHBondContact O-N 2.99Š|
| 478 | D | 89.5 | Confident | 84.7 | Confident | 103 Ų | 103 | 124.7 Ų | 124.7 | 55% | 0.551 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -95.3 | -7 | -179.7 | -168.6 | 53.2 | 0 | 0 | 0 | 112.1 | H474 P475 I476 | H474-D478 HydrophobicContact CB-CB 4.37Å; H474-D478 IonicContact CD2-OD2 3.84Å; H474-D478 PolarHBondContact CD2-OD2 3.46Å; H474-D478 VanDerWaalsContact CD2-OD2 3.25Å; H474-D478 IonicContact CG-OD2 2.67Å; P475-D478 HydrophobicContact CG-CB 4.05Å; P475-D478 WeakPolarHBondContact O-CB 3.4Å; P475-D478 PolarHBondContact O-N 3.39Å; I476-D478 VanDerWaalsContact C-N 3.3Å; I476-D478 PolarHBondContact O-N 3.22Å |
| 479 | L | 88.3 | Confident | 85.4 | Confident | 106 Ų | 106 | 129.4 Ų | 129.4 | 56% | 0.555 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -73.1 | 136.4 | 169.1 | -58.7 | -178.1 | 0 | 0 | 0 | 109.5 | I476 | I476-L479 HydrophobicContact CG1-CD1 4.08Å; I476-L479 PolarHBondContact O-N 3.2Å |
| 480 | P | 90.7 | Very high | 85.9 | Confident | 109 Ų | 109 | 126.4 Ų | 126.4 | 71% | 0.708 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 146.3 | 174.3 | 26.3 | -34.2 | 0 | 0 | 0 | 110.2 | | |
| 481 | P | 89.1 | Confident | 86.1 | Confident | 116 Ų | 116 | 123.2 Ų | 123.2 | 75% | 0.753 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 137.9 | 172.6 | -25.8 | 34.5 | 0 | 0 | 0 | 110.7 | | |
| 482 | P | 89.9 | Confident | 86.3 | Confident | 123 Ų | 123 | 123.1 Ų | 123.1 | 80% | 0.799 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 143 | -178.2 | 26.7 | -34.9 | 0 | 0 | 0 | 110.7 | | |
| 483 | D | 91.4 | Very high | 85.9 | Confident | 154 Ų | 154 | 122.4 Ų | 122.4 | 82% | 0.824 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 138.3 | 176.2 | -73.4 | -45.8 | 0 | 0 | 0 | 111.1 | Y485 | D483-Y485 PolarHBondContact O-N 3.17Š|
| 484 | P | 92.1 | Very high | 85.4 | Confident | 111 Ų | 111 | 121 Ų | 121 | 72% | 0.721 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 134.2 | 175.6 | -25.8 | 34.3 | 0 | 0 | 0 | 111.3 | V486 | P484-V486 PolarHBondContact O-N 2.84Š|
| 485 | Y | 91.3 | Very high | 84.2 | Confident | 184 Ų | 184 | 122.8 Ų | 122.8 | 72% | 0.722 | 69% | 0.687 | S | S | * | * | | | trans | -61.6 | 109.3 | 179.6 | 176.2 | -102.3 | 0 | 0 | 0 | 111.2 | D483 P487 | D483-Y485 PolarHBondContact O-N 3.17Å; Y485-P487 HydrophobicContact CD1-CG 4.19Å; Y485-P487 HydrophobicContact CE1-CB 4.07Å; Y485-P487 HydrophobicContact CE1-CG 3.87Å; Y485-P487 WeakPolarHBondContact O-CD 3.47Å |
| 486 | V | 91.3 | Very high | 83.2 | Confident | 114 Ų | 114 | 123.3 Ų | 123.3 | 69% | 0.691 | 68% | 0.684 | S | S | * | * | | | trans | -88.3 | 115.6 | 170.4 | -178 | 0 | 0 | 0 | 0 | 108.9 | P484 S488 | P484-V486 PolarHBondContact O-N 2.84Å; V486-S488 PolarHBondContact O-N 3.38Å |
| 487 | P | 89.8 | Confident | 82.2 | Confident | 106 Ų | 106 | 119.3 Ų | 119.3 | 69% | 0.688 | 67% | 0.669 | S | S | * | * | | | trans | -62.1 | 111.6 | 176.1 | -21 | 33.2 | 0 | 0 | 0 | 110.8 | Y485 | Y485-P487 HydrophobicContact CD1-CG 4.19Å; Y485-P487 HydrophobicContact CE1-CB 4.07Å; Y485-P487 HydrophobicContact CE1-CG 3.87Å; Y485-P487 WeakPolarHBondContact O-CD 3.47Å |
| 488 | S | 83 | Confident | 80.9 | Confident | 79 Ų | 79 | 123.8 Ų | 123.8 | 55% | 0.552 | 67% | 0.674 | S | S | * | * | | | trans | -110.7 | 136.5 | 178.2 | 46.9 | 0 | 0 | 0 | 0 | 110.8 | V486 K490 | V486-S488 PolarHBondContact O-N 3.38Å; S488-K490 PolarHBondContact O-N 3.02Å |
| 489 | Q | 85.1 | Confident | 79.2 | Confident | 188 Ų | 188 | 124 Ų | 124 | 88% | 0.879 | 68% | 0.68 | S | S | * | * | | | trans | -70 | 101.5 | 172.6 | -70.5 | -170.9 | -3.9 | 0 | 0 | 109.3 | T491 | Q489-T491 VanDerWaalsContact C-N 3.31Å; Q489-T491 PolarHBondContact O-N 3.17Å |
| 490 | K | 83.4 | Confident | 77.5 | Confident | 137 Ų | 137 | 126 Ų | 126 | 60% | 0.596 | 69% | 0.686 | S | S | * | * | | | trans | -73.1 | 83.1 | 179.1 | -58.1 | -173.1 | 77.8 | -177 | 0 | 110.4 | S488 Y492 | S488-K490 PolarHBondContact O-N 3.02Å; K490-Y492 HydrophobicContact CB-CD2 4.26Å; K490-Y492 HydrophobicContact CB-CE2 3.63Å; K490-Y492 WeakPolarHBondContact CD-OH 3.31Å; K490-Y492 WeakPolarHBondContact CE-OH 3.42Å; K490-Y492 PolarHBondContact NZ-OH 3.22Å; K490-Y492 WeakPolarHBondContact O-CD2 3.31Å; K490-Y492 WeakPolarHBondContact O-CE2 3.34Å; K490-Y492 PolarHBondContact O-N 2.8Å |
| 491 | T | 82.6 | Confident | 75.7 | Confident | 107 Ų | 107 | 125.5 Ų | 125.5 | 66% | 0.656 | 69% | 0.685 | S | S | * | * | | | trans | -72.2 | 90.5 | 171.2 | -59.7 | 0 | 0 | 0 | 0 | 109.7 | Q489 | Q489-T491 VanDerWaalsContact C-N 3.31Å; Q489-T491 PolarHBondContact O-N 3.17Å |
| 492 | Y | 79.1 | Confident | 73.8 | Confident | 112 Ų | 112 | 129.4 Ų | 129.4 | 44% | 0.439 | 69% | 0.691 | S | S | . | * | | | trans | -71.8 | 136.9 | 173.4 | -60.9 | -82.9 | 0 | 0 | 0 | 110.3 | K490 S494 K495 | K490-Y492 HydrophobicContact CB-CD2 4.26Å; K490-Y492 HydrophobicContact CB-CE2 3.63Å; K490-Y492 WeakPolarHBondContact CD-OH 3.31Å; K490-Y492 WeakPolarHBondContact CE-OH 3.42Å; K490-Y492 PolarHBondContact NZ-OH 3.22Å; K490-Y492 WeakPolarHBondContact O-CD2 3.31Å; K490-Y492 WeakPolarHBondContact O-CE2 3.34Å; K490-Y492 PolarHBondContact O-N 2.8Å; Y492-S494 PolarHBondContact O-N 3.33Å; Y492-K495 HydrophobicContact CD2-CG 4.42Å; Y492-K495 WeakPolarHBondContact O-CB 3.47Å; Y492-K495 PolarHBondContact O-N 3.17Å |
| 493 | P | 73.3 | Confident | 71.6 | Confident | 117 Ų | 117 | 126.3 Ų | 126.3 | 76% | 0.76 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -16.4 | 175.2 | -26.5 | 35.2 | 0 | 0 | 0 | 114.8 | I496 | P493-I496 VanDerWaalsContact O-CG1 3.22Å; P493-I496 WeakPolarHBondContact O-CG1 3.27Å |
| 494 | S | 72.2 | Confident | 69.7 | Low | 105 Ų | 105 | 125 Ų | 125 | 73% | 0.734 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -9.1 | 173.4 | 53.2 | 0 | 0 | 0 | 0 | 114.3 | Y492 | Y492-S494 PolarHBondContact O-N 3.33Š|
| 495 | K | 60.8 | Low | 67.8 | Low | 165 Ų | 165 | 122.7 Ų | 122.7 | 72% | 0.717 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | -11.3 | -178.6 | -70.3 | -67.2 | -168.3 | 175.3 | 0 | 113.9 | Y492 S497 | Y492-K495 HydrophobicContact CD2-CG 4.42Å; Y492-K495 WeakPolarHBondContact O-CB 3.47Å; Y492-K495 PolarHBondContact O-N 3.17Å; K495-S497 PolarHBondContact O-N 3.35Å |
| 496 | I | 64.3 | Low | 65.8 | Low | 94 Ų | 94 | 123.1 Ų | 123.1 | 48% | 0.482 | 69% | 0.685 | S | S | . | * | S | Bend | trans | -60.2 | 113.7 | 163.9 | 49.8 | 157.2 | 0 | 0 | 0 | 108.3 | P493 K498 | P493-I496 VanDerWaalsContact O-CG1 3.22Å; P493-I496 WeakPolarHBondContact O-CG1 3.27Å; I496-K498 PolarHBondContact O-N 3.38Å |
| 497 | S | 55 | Low | 64.2 | Low | 63 Ų | 63 | 127.3 Ų | 127.3 | 44% | 0.441 | 69% | 0.694 | S | S | . | * | | | trans | -60.3 | 135.4 | 175.7 | 44.4 | 0 | 0 | 0 | 0 | 108.3 | K495 T499 E500 | K495-S497 PolarHBondContact O-N 3.35Å; S497-T499 WeakPolarHBondContact CB-OG1 3.35Å; S497-T499 PolarHBondContact O-N 3.18Å; S497-T499 PolarHBondContact OG-OG1 2.85Å; S497-T499 VanDerWaalsContact OG-OG1 3.14Å; S497-E500 PolarHBondContact O-N 3.44Å |
| 498 | K | 57.1 | Low | 62.5 | Low | 206 Ų | 206 | 130.8 Ų | 130.8 | 90% | 0.896 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | 4.3 | -176.7 | -139.5 | 170.8 | -175.6 | 177 | 0 | 113.7 | I496 | I496-K498 PolarHBondContact O-N 3.38Š|
| 499 | T | 53.3 | Low | 61.3 | Low | 108 Ų | 108 | 138.2 Ų | 138.2 | 66% | 0.663 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -29.1 | -179.9 | 49.7 | 0 | 0 | 0 | 0 | 113.3 | S497 | S497-T499 WeakPolarHBondContact CB-OG1 3.35Å; S497-T499 PolarHBondContact O-N 3.18Å; S497-T499 PolarHBondContact OG-OG1 2.85Å; S497-T499 VanDerWaalsContact OG-OG1 3.14Å |
| 500 | E | 52.4 | Low | 60.6 | Low | 148 Ų | 148 | 131.9 Ų | 131.9 | 69% | 0.692 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -84.1 | -21.7 | -178.1 | -69.4 | -165.5 | 145.8 | 0 | 0 | 113.9 | S497 K502 G503 | S497-E500 PolarHBondContact O-N 3.44Å; E500-K502 PolarHBondContact O-N 2.94Å; E500-G503 PolarHBondContact O-N 3.2Å; E500-G503 VanDerWaalsContact O-N 3.15Å |
| 501 | S | 52.5 | Low | 60.1 | Low | 99 Ų | 99 | 129.8 Ų | 129.8 | 69% | 0.692 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -70 | 17.7 | 171.7 | -59.9 | 0 | 0 | 0 | 0 | 114.5 | | |
| 502 | K | 50.5 | Low | 59.6 | Low | 198 Ų | 198 | 129.9 Ų | 129.9 | 86% | 0.861 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -107.7 | 11.2 | 168.6 | -130.8 | -179.8 | -177.1 | -174.8 | 0 | 113.3 | E500 | E500-K502 PolarHBondContact O-N 2.94Š|
| 503 | G | 43.9 | Very low | 59.5 | Low | 57 Ų | 57 | 130.6 Ų | 130.6 | 59% | 0.588 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -69.7 | 139.3 | 156.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | E500 G505 | E500-G503 PolarHBondContact O-N 3.2Å; E500-G503 VanDerWaalsContact O-N 3.15Å; G503-G505 PolarHBondContact O-N 3.06Å |
| 504 | S | 51.8 | Low | 59.7 | Low | 128 Ų | 128 | 132.8 Ų | 132.8 | 90% | 0.895 | 74% | 0.736 | S | S | * | * | | | trans | -72.3 | 66.7 | 178.9 | -173.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 505 | G | 51.3 | Low | 60.1 | Low | 62 Ų | 62 | 132.7 Ų | 132.7 | 64% | 0.639 | 73% | 0.733 | S | S | * | * | | | trans | -94.2 | 100.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | G503 K507 | G503-G505 PolarHBondContact O-N 3.06Å; G505-K507 PolarHBondContact O-N 3.06Å |
| 506 | K | 49.9 | Very low | 60.9 | Low | 192 Ų | 192 | 130.7 Ų | 130.7 | 84% | 0.835 | 74% | 0.737 | S | S | * | * | | | trans | -54.4 | 130.9 | 165 | -70.1 | 177.9 | -179.9 | 176.3 | 0 | 107.5 | E508 | K506-E508 PolarHBondContact O-N 3.06Š|
| 507 | K | 56.3 | Low | 61.4 | Low | 202 Ų | 202 | 133.5 Ų | 133.5 | 88% | 0.878 | 75% | 0.752 | S | S | * | * | | | trans | -75.5 | 67.8 | 177.2 | -61.7 | 175.6 | -172.6 | 172 | 0 | 109.4 | G505 R509 | G505-K507 PolarHBondContact O-N 3.06Å; K507-R509 PolarHBondContact O-N 2.9Å |
| 508 | E | 55.4 | Low | 62.3 | Low | 180 Ų | 180 | 136.3 Ų | 136.3 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | | | trans | -70.9 | 79.8 | 169.2 | -169.7 | 168.5 | -171 | 0 | 0 | 108.2 | K506 G510 | K506-E508 PolarHBondContact O-N 3.06Å; E508-G510 VanDerWaalsContact C-N 3.29Å; E508-G510 PolarHBondContact O-N 3.24Å; E508-G510 VanDerWaalsContact O-N 3.11Å |
| 509 | R | 58 | Low | 62.8 | Low | 234 Ų | 234 | 141.7 Ų | 141.7 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | | | trans | -67.6 | 100.8 | 153.5 | -67.9 | -173.3 | -178.1 | -163.6 | 0.3 | 105 | K507 | K507-R509 PolarHBondContact O-N 2.9Š|
| 510 | G | 69.5 | Low | 63.2 | Low | 56 Ų | 56 | 143.4 Ų | 143.4 | 58% | 0.577 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 147.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110 | E508 | E508-G510 VanDerWaalsContact C-N 3.29Å; E508-G510 PolarHBondContact O-N 3.24Å; E508-G510 VanDerWaalsContact O-N 3.11Å |
| 511 | A | 72.3 | Confident | 63.8 | Low | 92 Ų | 92 | 143.2 Ų | 143.2 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 144.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 512 | P | 72.6 | Confident | 64.4 | Low | 110 Ų | 110 | 145.6 Ų | 145.6 | 71% | 0.714 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 147.9 | 174.9 | 27 | -34.6 | 0 | 0 | 0 | 110.2 | L514 | P512-L514 PolarHBondContact O-N 3.22Š|
| 513 | P | 76.8 | Confident | 65.3 | Low | 127 Ų | 127 | 142.5 Ų | 142.5 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 140.9 | 178.6 | 25.8 | -34.4 | 0 | 0 | 0 | 110.5 | | |
| 514 | L | 77.2 | Confident | 66.6 | Low | 163 Ų | 163 | 147.9 Ų | 147.9 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 146.3 | 177.3 | -70.1 | 172.7 | 0 | 0 | 0 | 110.6 | P512 | P512-L514 PolarHBondContact O-N 3.22Š|
| 515 | P | 80.8 | Confident | 67.6 | Low | 103 Ų | 103 | 149.2 Ų | 149.2 | 67% | 0.669 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 151.2 | 174.6 | 28.2 | -35 | 0 | 0 | 0 | 110.8 | I517 | P515-I517 PolarHBondContact O-N 3.24Š|
| 516 | P | 77.5 | Confident | 68.8 | Low | 123 Ų | 123 | 155.4 Ų | 155.4 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 134.2 | 177.1 | 26.3 | -34 | 0 | 0 | 0 | 110.7 | | |
| 517 | I | 75 | Confident | 70.2 | Confident | 153 Ų | 153 | 152.6 Ų | 152.6 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 128.6 | 176.4 | -54 | 175.2 | 0 | 0 | 0 | 108 | P515 | P515-I517 PolarHBondContact O-N 3.24Š|
| 518 | P | 73.5 | Confident | 71.4 | Confident | 122 Ų | 122 | 148.5 Ų | 148.5 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 139.3 | 171.6 | -23.7 | 34.5 | 0 | 0 | 0 | 111.3 | | |
| 519 | R | 67.8 | Low | 72.8 | Confident | 319 Ų | 319 | 145.6 Ų | 145.6 | 100% | 1.204 | 81% | 0.806 | S | S | * | * | | | trans | -96.3 | 0 | 169.4 | -73 | -176.2 | 175.9 | 155.5 | -2 | 110.1 | | |