| 1 | A | 46.3 | Very low | 57.7 | Low | 157 Ų | 157 | 141.5 Ų | 141.5 | 100% | 1.298 | 83% | 0.83 | S | S | * | * | | | | 0 | 91.7 | 0 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 2 | E | 44.8 | Very low | 58.3 | Low | 189 Ų | 189 | 139.1 Ų | 139.1 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | | | trans | -81.1 | 125.9 | -177.6 | -66.2 | 176.9 | 139.8 | 0 | 0 | 108 | D4 | E2-D4 PolarHBondContact O-N 2.74Š|
| 3 | G | 59.3 | Low | 59 | Low | 79 Ų | 79 | 140.8 Ų | 140.8 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | | | trans | -76 | 100.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 4 | D | 54.7 | Low | 59.6 | Low | 150 Ų | 150 | 141.9 Ų | 141.9 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | | | trans | -90.4 | 116.3 | -179.4 | -145.8 | -81 | 0 | 0 | 0 | 110.8 | E2 | E2-D4 PolarHBondContact O-N 2.74Š|
| 5 | T | 66 | Low | 60.4 | Low | 127 Ų | 127 | 140.8 Ų | 140.8 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | | | trans | -79.1 | 120.7 | -177 | 50.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 6 | K | 58.9 | Low | 61.9 | Low | 203 Ų | 203 | 134.1 Ų | 134.1 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | | | trans | -147.7 | 67.8 | 158.5 | -149.8 | 158.1 | -176.8 | 174 | 0 | 112.2 | D8 | K6-D8 PolarHBondContact O-N 2.82Š|
| 7 | G | 58.2 | Low | 62.9 | Low | 69 Ų | 69 | 134.9 Ų | 134.9 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | | | trans | -70.8 | 116.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | K9 | G7-K9 PolarHBondContact O-N 2.99Š|
| 8 | D | 58 | Low | 63.7 | Low | 140 Ų | 140 | 137.8 Ų | 137.8 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | | | trans | -42.9 | 115.7 | 176.9 | -162.2 | -79.4 | 0 | 0 | 0 | 112.7 | K6 A10 | K6-D8 PolarHBondContact O-N 2.82Å; D8-A10 VanDerWaalsContact C-N 3.34Å; D8-A10 WeakPolarHBondContact OD1-CB 3.16Å; D8-A10 PolarHBondContact OD1-N 3.17Å |
| 9 | K | 59.7 | Low | 64.5 | Low | 211 Ų | 211 | 139.5 Ų | 139.5 | 92% | 0.917 | 75% | 0.747 | S | S | * | * | | | trans | -94.8 | 31.7 | -178.9 | -91.1 | -178.1 | -179.1 | 171.3 | 0 | 112.4 | G7 K11 | G7-K9 PolarHBondContact O-N 2.99Å; K9-K11 PolarHBondContact O-N 3.07Å |
| 10 | A | 66.6 | Low | 65.4 | Low | 73 Ų | 73 | 134.6 Ų | 134.6 | 60% | 0.603 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -94.6 | 94.8 | 172 | 0 | 0 | 0 | 0 | 0 | 111.4 | D8 V12 | D8-A10 VanDerWaalsContact C-N 3.34Å; D8-A10 WeakPolarHBondContact OD1-CB 3.16Å; D8-A10 PolarHBondContact OD1-N 3.17Å; A10-V12 PolarHBondContact O-N 3.14Å |
| 11 | K | 62.6 | Low | 66 | Low | 159 Ų | 159 | 131.2 Ų | 131.2 | 69% | 0.691 | 72% | 0.715 | S | S | * | * | | | trans | 50.8 | 68.4 | 147.9 | -145.5 | 166.6 | -167.2 | 166.1 | 0 | 116.2 | K9 K13 | K9-K11 PolarHBondContact O-N 3.07Å; K11-K13 HydrophobicContact CD-CD 4.26Å; K11-K13 HydrophobicContact CG-CB 4.13Å; K11-K13 HydrophobicContact CG-CD 4.04Å; K11-K13 HydrophobicContact CG-CG 3.74Å; K11-K13 PolarHBondContact O-N 3.19Å |
| 12 | V | 64.8 | Low | 67.6 | Low | 112 Ų | 112 | 131.8 Ų | 131.8 | 68% | 0.679 | 68% | 0.683 | S | S | * | * | | | trans | -71.2 | 74.8 | 153.4 | 179.1 | 0 | 0 | 0 | 0 | 107.5 | A10 D14 | A10-V12 PolarHBondContact O-N 3.14Å; V12-D14 PolarHBondContact O-N 3.02Å |
| 13 | K | 67.4 | Low | 69.3 | Low | 162 Ų | 162 | 129.8 Ų | 129.8 | 70% | 0.704 | 68% | 0.678 | S | S | * | * | | | trans | -78.3 | 102.8 | 178.2 | -109.4 | -169.8 | 179.2 | -168 | 0 | 108.9 | K11 E15 | K11-K13 HydrophobicContact CD-CD 4.26Å; K11-K13 HydrophobicContact CG-CB 4.13Å; K11-K13 HydrophobicContact CG-CD 4.04Å; K11-K13 HydrophobicContact CG-CG 3.74Å; K11-K13 PolarHBondContact O-N 3.19Å; K13-E15 PolarHBondContact O-N 2.96Å |
| 14 | D | 67.8 | Low | 70.4 | Confident | 156 Ų | 156 | 130.5 Ų | 130.5 | 83% | 0.834 | 67% | 0.67 | S | S | * | * | S | Bend | trans | 77.8 | -12 | 150.6 | -148.5 | 52.3 | 0 | 0 | 0 | 120.2 | V12 P16 | V12-D14 PolarHBondContact O-N 3.02Å; D14-P16 WeakPolarHBondContact O-CD 3.46Å |
| 15 | E | 71.2 | Confident | 71.9 | Confident | 125 Ų | 125 | 126.2 Ų | 126.2 | 58% | 0.584 | 66% | 0.656 | S | S | * | * | | | trans | -76.8 | 123.9 | 166.2 | -173 | 67.8 | -153.2 | 0 | 0 | 108.7 | K13 Q17 S20 | K13-E15 PolarHBondContact O-N 2.96Å; E15-Q17 PolarHBondContact O-N 3.07Å; E15-S20 VanDerWaalsContact CG-OG 3.27Å; E15-S20 WeakPolarHBondContact CG-OG 3.32Å; E15-S20 PolarHBondContact OE1-OG 3.15Å |
| 16 | P | 83.8 | Confident | 72.8 | Confident | 33 Ų | 33 | 129.7 Ų | 129.7 | 21% | 0.214 | 66% | 0.66 | C | S | . | * | | | trans | -72.1 | 96.1 | 179.8 | -2.3 | 18.3 | 0 | 0 | 0 | 107.9 | D14 R18 R19 S20 | D14-P16 WeakPolarHBondContact O-CD 3.46Å; P16-R18 PolarHBondContact O-N 3.36Å; P16-R19 PolarHBondContact O-N 3.28Å; P16-R19 WeakPolarHBondContact O-CB 3.39Å; P16-R19 HydrophobicContact CG-CB 4.18Å; P16-R19 WeakPolarHBondContact O-CA 3.27Å; P16-R19 HydrophobicContact CB-CG 3.63Å; P16-R19 HydrophobicContact CB-CB 3.82Å; P16-R19 HydrophobicContact CG-CG 4.12Å; P16-S20 PolarHBondContact O-N 3.49Å; P16-S20 VanDerWaalsContact O-N 3.1Å; P16-S20 PolarHBondContact O-OG 3.34Å |
| 17 | Q | 79.4 | Confident | 74.1 | Confident | 148 Ų | 148 | 125.7 Ų | 125.7 | 69% | 0.692 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -48.4 | -36.3 | -179 | -175.1 | -178.5 | -9.4 | 0 | 0 | 112.6 | E15 A21 | E15-Q17 PolarHBondContact O-N 3.07Å; Q17-A21 PolarHBondContact O-N 3.07Å |
| 18 | R | 76.9 | Confident | 75.5 | Confident | 187 Ų | 187 | 126.7 Ų | 126.7 | 71% | 0.706 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -73.6 | -26.7 | 176.4 | -59.5 | -167.2 | 77.6 | -146.2 | 7.4 | 113.9 | P16 R22 | P16-R18 PolarHBondContact O-N 3.36Å; R18-R22 WeakPolarHBondContact O-CG 3.41Å; R18-R22 WeakPolarHBondContact O-CD 3.24Å; R18-R22 VanDerWaalsContact O-CD 3.24Å |
| 19 | R | 78.9 | Confident | 76.9 | Confident | 171 Ų | 171 | 125.4 Ų | 125.4 | 65% | 0.645 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -80.5 | -44.8 | 177.8 | -63.9 | -176.7 | -144.2 | 141.3 | 4.4 | 110.8 | P16 A21 R22 L23 | P16-R19 PolarHBondContact O-N 3.28Å; P16-R19 WeakPolarHBondContact O-CB 3.39Å; P16-R19 HydrophobicContact CG-CB 4.18Å; P16-R19 WeakPolarHBondContact O-CA 3.27Å; P16-R19 HydrophobicContact CB-CG 3.63Å; P16-R19 HydrophobicContact CB-CB 3.82Å; P16-R19 HydrophobicContact CG-CG 4.12Å; R19-A21 VanDerWaalsContact C-N 3.34Å; R19-A21 PolarHBondContact O-N 2.98Å; R19-R22 WeakPolarHBondContact O-CB 3.49Å; R19-R22 PolarHBondContact O-N 3.28Å; R19-L23 WeakPolarHBondContact O-CG 3.41Å; R19-L23 PolarHBondContact O-N 2.97Å |
| 20 | S | 82.2 | Confident | 78.1 | Confident | 41 Ų | 41 | 121.2 Ų | 121.2 | 29% | 0.287 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -62.8 | -40.5 | 179.6 | -30.3 | 0 | 0 | 0 | 0 | 111.7 | E15 P16 R22 L23 S24 | E15-S20 VanDerWaalsContact CG-OG 3.27Å; E15-S20 WeakPolarHBondContact CG-OG 3.32Å; E15-S20 PolarHBondContact OE1-OG 3.15Å; P16-S20 PolarHBondContact O-N 3.49Å; P16-S20 VanDerWaalsContact O-N 3.1Å; P16-S20 PolarHBondContact O-OG 3.34Å; S20-R22 VanDerWaalsContact C-N 3.28Å; S20-R22 PolarHBondContact O-N 3.2Å; S20-L23 PolarHBondContact O-N 3.26Å; S20-S24 PolarHBondContact O-OG 3.37Å; S20-S24 PolarHBondContact O-N 2.93Å |
| 21 | A | 77.8 | Confident | 78.9 | Confident | 64 Ų | 64 | 126.9 Ų | 126.9 | 53% | 0.529 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -64.7 | -29.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q17 R19 S24 | Q17-A21 PolarHBondContact O-N 3.07Å; R19-A21 VanDerWaalsContact C-N 3.34Å; R19-A21 PolarHBondContact O-N 2.98Å; A21-S24 PolarHBondContact O-OG 3.05Å |
| 22 | R | 79.9 | Confident | 80.1 | Confident | 168 Ų | 168 | 125 Ų | 125 | 63% | 0.634 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -77.5 | -33.7 | 175.3 | -74.2 | 171.2 | -175.8 | -149.1 | -2 | 112.3 | R18 R19 S20 | R18-R22 WeakPolarHBondContact O-CG 3.41Å; R18-R22 WeakPolarHBondContact O-CD 3.24Å; R18-R22 VanDerWaalsContact O-CD 3.24Å; R19-R22 WeakPolarHBondContact O-CB 3.49Å; R19-R22 PolarHBondContact O-N 3.28Å; S20-R22 VanDerWaalsContact C-N 3.28Å; S20-R22 PolarHBondContact O-N 3.2Å |
| 23 | L | 80.9 | Confident | 80.8 | Confident | 147 Ų | 147 | 128.2 Ų | 128.2 | 77% | 0.77 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -78.6 | -30.2 | 179.8 | -70.6 | 171.6 | 0 | 0 | 0 | 112.8 | R19 S20 A25 | R19-L23 WeakPolarHBondContact O-CG 3.41Å; R19-L23 PolarHBondContact O-N 2.97Å; S20-L23 PolarHBondContact O-N 3.26Å; L23-A25 VanDerWaalsContact C-N 3.31Å |
| 24 | S | 83.4 | Confident | 81.5 | Confident | 95 Ų | 95 | 126.6 Ų | 126.6 | 66% | 0.664 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -76.4 | -19.1 | 175.9 | 63.1 | 0 | 0 | 0 | 0 | 113.3 | S20 A21 K26 | S20-S24 PolarHBondContact O-OG 3.37Å; S20-S24 PolarHBondContact O-N 2.93Å; A21-S24 PolarHBondContact O-OG 3.05Å; S24-K26 PolarHBondContact O-N 3.35Å |
| 25 | A | 85.1 | Confident | 81.9 | Confident | 60 Ų | 60 | 128.3 Ų | 128.3 | 50% | 0.496 | 68% | 0.679 | S | S | . | * | S | Bend | trans | -67.8 | 123 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | L23 | L23-A25 VanDerWaalsContact C-N 3.31Š|
| 26 | K | 85.4 | Confident | 82.2 | Confident | 199 Ų | 199 | 128.5 Ų | 128.5 | 87% | 0.865 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 132.2 | 172.7 | -79.6 | 167.3 | 175.9 | 153.2 | 0 | 109.3 | S24 | S24-K26 PolarHBondContact O-N 3.35Š|
| 27 | P | 85.7 | Confident | 81.5 | Confident | 120 Ų | 120 | 136.5 Ų | 136.5 | 78% | 0.779 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 147.7 | 172.8 | -23.7 | 32.6 | 0 | 0 | 0 | 110.8 | | |
| 28 | A | 88.4 | Confident | 81.2 | Confident | 89 Ų | 89 | 139.2 Ų | 139.2 | 74% | 0.736 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 141 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 29 | P | 86.7 | Confident | 80.8 | Confident | 114 Ų | 114 | 134.6 Ų | 134.6 | 74% | 0.74 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 145.5 | 176.7 | 23.3 | -32.3 | 0 | 0 | 0 | 110.1 | K31 | P29-K31 PolarHBondContact O-N 3.21Š|
| 30 | P | 85.1 | Confident | 80.3 | Confident | 122 Ų | 122 | 130.3 Ų | 130.3 | 79% | 0.792 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 144.5 | 176.2 | 24.9 | -33.3 | 0 | 0 | 0 | 109.3 | | |
| 31 | K | 84.8 | Confident | 79.4 | Confident | 192 Ų | 192 | 133.7 Ų | 133.7 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 143.1 | 175.5 | -66.6 | -170.5 | 178.5 | 75.8 | 0 | 108.6 | P29 E33 | P29-K31 PolarHBondContact O-N 3.21Å; K31-E33 PolarHBondContact O-N 3.1Å |
| 32 | P | 85.8 | Confident | 78.7 | Confident | 121 Ų | 121 | 140.3 Ų | 140.3 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 136.5 | 176.1 | -24.8 | 32.7 | 0 | 0 | 0 | 110.3 | | |
| 33 | E | 81 | Confident | 77.9 | Confident | 179 Ų | 179 | 140.8 Ų | 140.8 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 136.7 | 178.1 | -70.2 | -176.5 | 169.2 | 0 | 0 | 109.9 | K31 K35 | K31-E33 PolarHBondContact O-N 3.1Å; E33-K35 PolarHBondContact O-N 3.21Å |
| 34 | P | 81.5 | Confident | 76.8 | Confident | 127 Ų | 127 | 139.7 Ų | 139.7 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 120.5 | 174.8 | 21.4 | -29.4 | 0 | 0 | 0 | 108.5 | | |
| 35 | K | 76.9 | Confident | 75.7 | Confident | 193 Ų | 193 | 142.3 Ų | 142.3 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 139.1 | 179.7 | -71.1 | 174.1 | -178.2 | 161.7 | 0 | 109.6 | E33 K37 | E33-K35 PolarHBondContact O-N 3.21Å; K35-K37 PolarHBondContact O-N 3.41Å |
| 36 | P | 76.4 | Confident | 74.7 | Confident | 128 Ų | 128 | 149.5 Ų | 149.5 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 116.9 | 173.2 | -21.4 | 29.9 | 0 | 0 | 0 | 108.7 | K38 | P36-K38 PolarHBondContact O-N 3.39Å; P36-K38 VanDerWaalsContact O-N 3.14Å |
| 37 | K | 70.1 | Confident | 73.1 | Confident | 201 Ų | 201 | 147.6 Ų | 147.6 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 124.8 | 170.8 | -79.2 | 179.9 | 178.3 | 173.2 | 0 | 106.3 | K35 A39 | K35-K37 PolarHBondContact O-N 3.41Å; K37-A39 PolarHBondContact O-N 2.87Å |
| 38 | K | 73.3 | Confident | 71.8 | Confident | 206 Ų | 206 | 147.6 Ų | 147.6 | 90% | 0.896 | 80% | 0.804 | S | S | * | * | | | trans | -44.9 | 117.9 | 175.3 | -129.1 | 174.1 | -176.5 | 178.1 | 0 | 107.4 | P36 A40 | P36-K38 PolarHBondContact O-N 3.39Å; P36-K38 VanDerWaalsContact O-N 3.14Å; K38-A40 PolarHBondContact O-N 3.32Å; K38-A40 VanDerWaalsContact O-N 3.17Å |
| 39 | A | 67.9 | Low | 70.5 | Confident | 89 Ų | 89 | 154 Ų | 154 | 74% | 0.736 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 127.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | K37 | K37-A39 PolarHBondContact O-N 2.87Š|
| 40 | A | 68 | Low | 69.1 | Low | 82 Ų | 82 | 151.6 Ų | 151.6 | 68% | 0.678 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 135.4 | 168 | 0 | 0 | 0 | 0 | 0 | 107.3 | K38 K42 | K38-A40 PolarHBondContact O-N 3.32Å; K38-A40 VanDerWaalsContact O-N 3.17Å; A40-K42 PolarHBondContact O-N 3.1Å; A40-K42 VanDerWaalsContact O-N 3.07Å |
| 41 | P | 64.2 | Low | 68 | Low | 112 Ų | 112 | 156.1 Ų | 156.1 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 126.1 | -179.3 | 21.5 | -31.8 | 0 | 0 | 0 | 107.4 | K43 | P41-K43 VanDerWaalsContact C-N 3.26Å; P41-K43 PolarHBondContact O-N 2.91Å |
| 42 | K | 62.6 | Low | 66.8 | Low | 203 Ų | 203 | 156.7 Ų | 156.7 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | | | trans | -57.8 | 98 | 175.4 | -70.3 | 178.8 | -178.5 | 172.8 | 0 | 106.2 | A40 S44 | A40-K42 PolarHBondContact O-N 3.1Å; A40-K42 VanDerWaalsContact O-N 3.07Å; K42-S44 VanDerWaalsContact C-N 3.33Å; K42-S44 PolarHBondContact O-N 2.72Å |
| 43 | K | 62.6 | Low | 65.4 | Low | 178 Ų | 178 | 154.2 Ų | 154.2 | 77% | 0.774 | 82% | 0.818 | S | S | * | * | | | trans | -63.8 | 107.4 | 162.2 | -72.1 | -159.2 | 179.5 | -176.6 | 0 | 104.6 | P41 E45 | P41-K43 VanDerWaalsContact C-N 3.26Å; P41-K43 PolarHBondContact O-N 2.91Å; K43-E45 PolarHBondContact O-N 3.4Å |
| 44 | S | 58.9 | Low | 64.4 | Low | 124 Ų | 124 | 155.8 Ų | 155.8 | 87% | 0.867 | 82% | 0.822 | S | S | * | * | | | trans | -60.7 | 83.4 | 168.4 | 50.5 | 0 | 0 | 0 | 0 | 107.9 | K42 | K42-S44 VanDerWaalsContact C-N 3.33Å; K42-S44 PolarHBondContact O-N 2.72Å |
| 45 | E | 59.3 | Low | 63.4 | Low | 150 Ų | 150 | 156.5 Ų | 156.5 | 70% | 0.701 | 82% | 0.824 | S | S | * | * | | | trans | -132 | 102.1 | 173.4 | -156.6 | 156.3 | -159.1 | 0 | 0 | 107.8 | K43 L47 | K43-E45 PolarHBondContact O-N 3.4Å; E45-L47 PolarHBondContact O-N 3.28Å |
| 46 | K | 63.8 | Low | 62.7 | Low | 210 Ų | 210 | 154.7 Ų | 154.7 | 91% | 0.913 | 82% | 0.824 | S | S | * | * | | | trans | -21.1 | 113.6 | 162.6 | -106.6 | 174.4 | 169.6 | -173.8 | 0 | 111.8 | | |
| 47 | L | 52.2 | Low | 61.9 | Low | 160 Ų | 160 | 152.8 Ų | 152.8 | 84% | 0.838 | 82% | 0.818 | S | S | * | * | | | trans | -125.8 | 133.6 | 163 | -84.7 | 135.1 | 0 | 0 | 0 | 109.6 | E45 | E45-L47 PolarHBondContact O-N 3.28Š|
| 48 | P | 59 | Low | 61.5 | Low | 119 Ų | 119 | 146.8 Ų | 146.8 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | | | trans | -75.8 | 153.3 | -166.1 | 30.7 | -33.9 | 0 | 0 | 0 | 112.5 | G50 | P48-G50 PolarHBondContact O-N 2.98Š|
| 49 | K | 60.7 | Low | 61 | Low | 224 Ų | 224 | 146.3 Ų | 146.3 | 97% | 0.974 | 81% | 0.812 | S | S | * | * | | | trans | -47.5 | 110.8 | 174.8 | -74.7 | 170.3 | 175.9 | 170.1 | 0 | 110.9 | | |
| 50 | G | 58.3 | Low | 60.8 | Low | 64 Ų | 64 | 151 Ų | 151 | 66% | 0.66 | 82% | 0.819 | S | S | * | * | | | trans | -147.2 | 112.6 | 173 | 0 | 0 | 0 | 0 | 0 | 110.5 | P48 K52 | P48-G50 PolarHBondContact O-N 2.98Å; G50-K52 PolarHBondContact O-N 3.22Å |
| 51 | K | 61.6 | Low | 60.4 | Low | 216 Ų | 216 | 150.5 Ų | 150.5 | 94% | 0.939 | 82% | 0.821 | S | S | * | * | | | trans | -52.2 | 121.3 | 176.3 | -68.6 | 174.7 | 176.1 | 178.8 | 0 | 110.4 | | |
| 52 | K | 59.9 | Low | 60.4 | Low | 204 Ų | 204 | 152.7 Ų | 152.7 | 89% | 0.887 | 83% | 0.827 | S | S | * | * | | | trans | -133.7 | 133.2 | 160.2 | -77.4 | -171.7 | -179.8 | 177.3 | 0 | 109.5 | G50 | G50-K52 PolarHBondContact O-N 3.22Š|
| 53 | G | 56.3 | Low | 60.6 | Low | 70 Ų | 70 | 149.4 Ų | 149.4 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | | | trans | -58.3 | 149.3 | -163.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | T55 | G53-T55 PolarHBondContact O-N 2.82Å; G53-T55 VanDerWaalsContact O-N 3.15Å |
| 54 | K | 58.8 | Low | 60.9 | Low | 211 Ų | 211 | 146.3 Ų | 146.3 | 92% | 0.917 | 82% | 0.817 | S | S | * | * | | | trans | -71.7 | 98.2 | 164 | -64.8 | 176.9 | 179.9 | -177.2 | 0 | 107.5 | | |
| 55 | T | 61.6 | Low | 61.5 | Low | 143 Ų | 143 | 144.5 Ų | 144.5 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | | | trans | -104.3 | 70.4 | 155 | -6.3 | 0 | 0 | 0 | 0 | 106.7 | G53 | G53-T55 PolarHBondContact O-N 2.82Å; G53-T55 VanDerWaalsContact O-N 3.15Å |
| 56 | D | 60.8 | Low | 61.9 | Low | 155 Ų | 155 | 146 Ų | 146 | 83% | 0.829 | 82% | 0.817 | S | S | * | * | | | trans | -105 | 85.6 | 159.6 | -168.7 | -76 | 0 | 0 | 0 | 106.3 | | |
| 57 | A | 60.3 | Low | 62.2 | Low | 87 Ų | 87 | 143.8 Ų | 143.8 | 72% | 0.719 | 82% | 0.815 | S | S | * | * | | | trans | -143.9 | 38 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | K59 | A57-K59 PolarHBondContact O-N 3.34Š|
| 58 | G | 60.7 | Low | 63.2 | Low | 76 Ų | 76 | 138.1 Ų | 138.1 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | | | trans | -75.3 | 43.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | E60 | G58-E60 VanDerWaalsContact C-N 3.32Š|
| 59 | K | 64.5 | Low | 63.7 | Low | 195 Ų | 195 | 139.5 Ų | 139.5 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | | | trans | -102.5 | 68.1 | 168.2 | -148.9 | 170.3 | -165.4 | -77.7 | 0 | 105.9 | A57 G61 | A57-K59 PolarHBondContact O-N 3.34Å; K59-G61 PolarHBondContact O-N 3.46Å; K59-G61 VanDerWaalsContact O-N 3.1Å |
| 60 | E | 61.9 | Low | 64.3 | Low | 189 Ų | 189 | 133.1 Ų | 133.1 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | | | trans | -45.2 | 119 | 168.6 | -75 | 173.4 | 172 | 0 | 0 | 107.9 | G58 N62 | G58-E60 VanDerWaalsContact C-N 3.32Å; E60-N62 PolarHBondContact O-N 3.49Å |
| 61 | G | 61.4 | Low | 64.9 | Low | 71 Ų | 71 | 138.9 Ų | 138.9 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | | | trans | -62.2 | 118 | -159.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K59 N63 | K59-G61 PolarHBondContact O-N 3.46Å; K59-G61 VanDerWaalsContact O-N 3.1Å; G61-N63 PolarHBondContact O-N 3.17Å |
| 62 | N | 63.2 | Low | 65.3 | Low | 157 Ų | 157 | 135.1 Ų | 135.1 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | | | trans | -87.1 | 77.7 | 148.7 | -172.9 | -0.1 | 0 | 0 | 0 | 107.6 | E60 | E60-N62 PolarHBondContact O-N 3.49Š|
| 63 | N | 67.1 | Low | 65.9 | Low | 134 Ų | 134 | 131.7 Ų | 131.7 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | | | trans | -134.7 | 99.3 | 165.9 | -146.9 | -17.1 | 0 | 0 | 0 | 106 | G61 A65 | G61-N63 PolarHBondContact O-N 3.17Å; N63-A65 VanDerWaalsContact C-N 3.28Å; N63-A65 PolarHBondContact O-N 2.89Å |
| 64 | P | 69.6 | Low | 66 | Low | 113 Ų | 113 | 135.9 Ų | 135.9 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | | | trans | -63.6 | 101.4 | 164.8 | 26.3 | -29.6 | 0 | 0 | 0 | 106.6 | | |
| 65 | A | 70.1 | Confident | 66.4 | Low | 87 Ų | 87 | 129.7 Ų | 129.7 | 72% | 0.719 | 77% | 0.768 | S | S | * | * | | | trans | -68.1 | 145.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | N63 | N63-A65 VanDerWaalsContact C-N 3.28Å; N63-A65 PolarHBondContact O-N 2.89Å |
| 66 | E | 67.9 | Low | 66.5 | Low | 181 Ų | 181 | 132.2 Ų | 132.2 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | | | trans | 73 | 80.5 | 162.3 | -152.8 | 178.5 | 129.4 | 0 | 0 | 116.6 | G68 | E66-G68 VanDerWaalsContact C-N 3.25Å; E66-G68 PolarHBondContact O-N 3.22Å |
| 67 | N | 69.3 | Low | 66.7 | Low | 163 Ų | 163 | 135 Ų | 135 | 87% | 0.872 | 77% | 0.774 | S | S | * | * | | | trans | -82.6 | 85.5 | 141.6 | -171.5 | -7.6 | 0 | 0 | 0 | 106.6 | | |
| 68 | G | 74.2 | Confident | 66.9 | Low | 42 Ų | 42 | 135.2 Ų | 135.2 | 43% | 0.433 | 78% | 0.776 | S | S | . | * | | | trans | -63.8 | 131.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | E66 A70 | E66-G68 VanDerWaalsContact C-N 3.25Å; E66-G68 PolarHBondContact O-N 3.22Å; G68-A70 PolarHBondContact O-N 3.07Å |
| 69 | D | 69.3 | Low | 66.8 | Low | 148 Ų | 148 | 141.2 Ų | 141.2 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | | | trans | -34.3 | 108.2 | 175.4 | -93.8 | -96.7 | 0 | 0 | 0 | 113.6 | K71 | D69-K71 VanDerWaalsContact C-N 3.3Å; D69-K71 PolarHBondContact O-N 3.02Å |
| 70 | A | 73.9 | Confident | 66.8 | Low | 90 Ų | 90 | 135.1 Ų | 135.1 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | | | trans | -78.5 | 83.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | G68 T72 | G68-A70 PolarHBondContact O-N 3.07Å; A70-T72 PolarHBondContact O-N 3.26Å |
| 71 | K | 71.5 | Confident | 66.6 | Low | 185 Ų | 185 | 131.6 Ų | 131.6 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -74.8 | 103 | 158.2 | -69.3 | -157.5 | -177.2 | -177.8 | 0 | 108.5 | D69 | D69-K71 VanDerWaalsContact C-N 3.3Å; D69-K71 PolarHBondContact O-N 3.02Å |
| 72 | T | 69.3 | Low | 66.6 | Low | 137 Ų | 137 | 131.8 Ų | 131.8 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | | | trans | -95.8 | 92 | 158.3 | -45 | 0 | 0 | 0 | 0 | 106.9 | A70 | A70-T72 PolarHBondContact O-N 3.26Š|
| 73 | D | 71.6 | Confident | 66.3 | Low | 131 Ų | 131 | 132.3 Ų | 132.3 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | | | trans | -78.4 | 148.4 | 161.3 | -178.8 | 44.8 | 0 | 0 | 0 | 109.2 | | |
| 74 | Q | 59.5 | Low | 65.9 | Low | 158 Ų | 158 | 130.3 Ų | 130.3 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | | | trans | 79 | 102.4 | 166.6 | -86.7 | -172.2 | 26.3 | 0 | 0 | 122 | | |
| 75 | A | 66.9 | Low | 65.2 | Low | 82 Ų | 82 | 138.2 Ų | 138.2 | 68% | 0.678 | 81% | 0.81 | S | S | * | * | | | | 72.7 | 113.8 | 110.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 76 | Q | 64.1 | Low | 65 | Low | 195 Ų | 195 | 140.8 Ų | 140.8 | 91% | 0.911 | 81% | 0.814 | S | S | * | * | | | | -150.5 | 100.3 | 125.8 | -102.7 | 166.3 | -40.3 | 0 | 0 | 108 | A78 | Q76-A78 PolarHBondContact O-N 3.25Š|
| 77 | K | 64.2 | Low | 64.8 | Low | 213 Ų | 213 | 138.7 Ų | 138.7 | 93% | 0.926 | 81% | 0.813 | S | S | * | * | | | trans | -59.4 | 119.1 | 153.5 | -78 | -162.8 | 178.8 | -172.9 | 0 | 106 | | |
| 78 | A | 63.9 | Low | 64.6 | Low | 92 Ų | 92 | 137.3 Ų | 137.3 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | | | trans | -111.6 | 95.6 | 156.5 | 0 | 0 | 0 | 0 | 0 | 106.6 | Q76 G80 | Q76-A78 PolarHBondContact O-N 3.25Å; A78-G80 PolarHBondContact O-N 3.34Å |
| 79 | E | 59 | Low | 64 | Low | 202 Ų | 202 | 142.9 Ų | 142.9 | 94% | 0.944 | 83% | 0.831 | S | S | * | * | | | trans | -49.9 | 117.5 | 148.5 | -178.1 | 177.9 | 124.3 | 0 | 0 | 107.3 | | |
| 80 | G | 65.8 | Low | 63.7 | Low | 68 Ų | 68 | 142.6 Ų | 142.6 | 70% | 0.701 | 83% | 0.834 | S | S | * | * | | | trans | -173.9 | 99 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | A78 | A78-G80 PolarHBondContact O-N 3.34Š|
| 81 | A | 57.9 | Low | 63 | Low | 115 Ų | 115 | 146.1 Ų | 146.1 | 95% | 0.95 | 84% | 0.84 | S | S | * | * | | | trans | 76.6 | 105.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 82 | G | 59.9 | Low | 62.4 | Low | 75 Ų | 75 | 143.4 Ų | 143.4 | 77% | 0.773 | 84% | 0.843 | S | S | * | * | | | trans | -173.4 | 28.5 | 160.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | A84 | G82-A84 PolarHBondContact O-N 3.21Š|
| 83 | D | 57.3 | Low | 61.9 | Low | 168 Ų | 168 | 143.8 Ų | 143.8 | 90% | 0.898 | 84% | 0.843 | S | S | * | * | | | trans | -80.1 | 97.4 | 166 | -141.2 | -71.6 | 0 | 0 | 0 | 107.6 | | |
| 84 | A | 59.5 | Low | 61 | Low | 92 Ų | 92 | 144.9 Ų | 144.9 | 76% | 0.76 | 85% | 0.854 | S | S | * | * | | | trans | -146.7 | 86.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | G82 | G82-A84 PolarHBondContact O-N 3.21Š|
| 85 | K | 54.5 | Low | 61.2 | Low | 279 Ų | 279 | 143.7 Ų | 143.7 | 100% | 1.213 | 87% | 0.865 | S | S | * | * | | | trans | -159 | 0 | 147.2 | -114.5 | -175.8 | -174.6 | -177.8 | 0 | 111.7 | | |