| 1 | M | 48.8 | Very low | 49.5 | Very low | 224 Ų | 224 | 138.7 Ų | 138.7 | 100% | 1.103 | 71% | 0.71 | S | S | * | * | | | | 0 | 7.9 | 0 | -144 | 178.5 | -78.8 | 0 | 0 | 113.4 | | |
| 2 | L | 53.3 | Low | 49.3 | Very low | 159 Ų | 159 | 138.1 Ų | 138.1 | 83% | 0.832 | 71% | 0.708 | S | S | * | * | | | trans | -107.8 | -6.5 | 177.2 | -82.1 | 152 | 0 | 0 | 0 | 113.6 | | |
| 3 | E | 50.6 | Low | 49.3 | Very low | 160 Ų | 160 | 136.2 Ų | 136.2 | 75% | 0.748 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -82.1 | -24.4 | -176.4 | -83.1 | 166.1 | 138.4 | 0 | 0 | 114.1 | M5 S6 | E3-M5 VanDerWaalsContact C-N 3.27Å; E3-M5 PolarHBondContact O-N 3.17Å; E3-S6 PolarHBondContact O-N 3.37Å |
| 4 | I | 53.2 | Low | 48.7 | Very low | 132 Ų | 132 | 139.4 Ų | 139.4 | 68% | 0.677 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -73.9 | -21.2 | -175.1 | -53.8 | 169.4 | 0 | 0 | 0 | 111.7 | | |
| 5 | M | 49.5 | Very low | 47.9 | Very low | 158 Ų | 158 | 136.9 Ų | 136.9 | 78% | 0.778 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -86.4 | -9.2 | 176.9 | -67.1 | -168.8 | 72.5 | 0 | 0 | 113.8 | E3 | E3-M5 VanDerWaalsContact C-N 3.27Å; E3-M5 PolarHBondContact O-N 3.17Å |
| 6 | S | 54.5 | Low | 47.3 | Very low | 70 Ų | 70 | 139.4 Ų | 139.4 | 49% | 0.49 | 71% | 0.709 | S | S | . | * | H | α-helix | trans | -86.4 | -37.9 | 179 | -156.6 | 0 | 0 | 0 | 0 | 111.8 | E3 H8 Q9 D10 | E3-S6 PolarHBondContact O-N 3.37Å; S6-H8 VanDerWaalsContact C-N 3.3Å; S6-H8 PolarHBondContact O-N 2.86Å; S6-Q9 PolarHBondContact O-N 3.26Å; S6-Q9 VanDerWaalsContact O-N 3.13Å; S6-D10 PolarHBondContact O-N 3.01Å |
| 7 | E | 47.2 | Very low | 47.1 | Very low | 144 Ų | 144 | 138.9 Ų | 138.9 | 67% | 0.673 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -66.4 | -28.7 | -177.8 | -73.9 | 176.6 | 94.2 | 0 | 0 | 113.6 | | |
| 8 | H | 46.9 | Very low | 46.5 | Very low | 154 Ų | 154 | 139.3 Ų | 139.3 | 71% | 0.713 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -74.1 | -25.1 | 175.4 | -109.8 | 76.9 | 0 | 0 | 0 | 113.4 | S6 | S6-H8 VanDerWaalsContact C-N 3.3Å; S6-H8 PolarHBondContact O-N 2.86Å |
| 9 | Q | 48.2 | Very low | 46.4 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 62% | 0.617 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -79.7 | -36.1 | 175.8 | -80.9 | -151.5 | 27.9 | 0 | 0 | 112.5 | S6 S11 L12 L13 | S6-Q9 PolarHBondContact O-N 3.26Å; S6-Q9 VanDerWaalsContact O-N 3.13Å; Q9-S11 VanDerWaalsContact C-N 3.27Å; Q9-S11 PolarHBondContact O-N 3.39Å; Q9-L12 PolarHBondContact O-N 2.98Å; Q9-L12 VanDerWaalsContact O-N 3.17Å; Q9-L13 WeakPolarHBondContact O-CG 3.44Å; Q9-L13 PolarHBondContact O-N 3.08Å; Q9-L13 VanDerWaalsContact O-N 3.13Å |
| 10 | D | 44.5 | Very low | 46.6 | Very low | 102 Ų | 102 | 138.9 Ų | 138.9 | 55% | 0.545 | 72% | 0.722 | S | S | . | * | H | α-helix | trans | -65 | -31.9 | 178 | -82 | -62.9 | 0 | 0 | 0 | 112.6 | S6 L13 K14 | S6-D10 PolarHBondContact O-N 3.01Å; D10-L13 PolarHBondContact O-N 3.37Å; D10-K14 PolarHBondContact O-N 3.36Å |
| 11 | S | 47.9 | Very low | 46.6 | Very low | 91 Ų | 91 | 137.5 Ų | 137.5 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -73.8 | -24.1 | 176.3 | -152.4 | 0 | 0 | 0 | 0 | 113.4 | Q9 | Q9-S11 VanDerWaalsContact C-N 3.27Å; Q9-S11 PolarHBondContact O-N 3.39Å |
| 12 | L | 46.6 | Very low | 46.8 | Very low | 131 Ų | 131 | 131.8 Ų | 131.8 | 69% | 0.686 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -83.3 | -27.8 | 173.9 | -73.3 | -176.1 | 0 | 0 | 0 | 112.9 | Q9 | Q9-L12 PolarHBondContact O-N 2.98Å; Q9-L12 VanDerWaalsContact O-N 3.17Å |
| 13 | L | 49.3 | Very low | 47 | Very low | 113 Ų | 113 | 133.4 Ų | 133.4 | 59% | 0.592 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -78.9 | -22.3 | 178 | -67.2 | 174 | 0 | 0 | 0 | 113.1 | Q9 D10 C15 | Q9-L13 WeakPolarHBondContact O-CG 3.44Å; Q9-L13 PolarHBondContact O-N 3.08Å; Q9-L13 VanDerWaalsContact O-N 3.13Å; D10-L13 PolarHBondContact O-N 3.37Å; L13-C15 PolarHBondContact O-N 3.5Å |
| 14 | K | 41.1 | Very low | 47.3 | Very low | 182 Ų | 182 | 137 Ų | 137 | 79% | 0.791 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -73.1 | -14.3 | 173.6 | -155.3 | 110.5 | 176.8 | -171.1 | 0 | 113.8 | D10 K16 | D10-K14 PolarHBondContact O-N 3.36Å; K14-K16 VanDerWaalsContact C-N 3.29Å; K14-K16 PolarHBondContact O-N 3.24Å |
| 15 | C | 36.3 | Very low | 48.2 | Very low | 102 Ų | 102 | 140 Ų | 140 | 69% | 0.689 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -90.3 | 12.8 | -179.4 | -145.1 | 0 | 0 | 0 | 0 | 113.8 | L13 | L13-C15 PolarHBondContact O-N 3.5Š|
| 16 | K | 39.6 | Very low | 49.5 | Very low | 176 Ų | 176 | 141.2 Ų | 141.2 | 77% | 0.765 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -111.3 | 29.8 | 174.1 | -90.7 | 173.5 | 171.6 | 170.2 | 0 | 112.8 | K14 | K14-K16 VanDerWaalsContact C-N 3.29Å; K14-K16 PolarHBondContact O-N 3.24Å |
| 17 | T | 43.8 | Very low | 51 | Low | 132 Ų | 132 | 149 Ų | 149 | 81% | 0.81 | 73% | 0.734 | S | S | * | * | | | trans | -155.5 | 56.5 | 157.6 | -46.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 18 | D | 36.2 | Very low | 53.1 | Low | 145 Ų | 145 | 144.2 Ų | 144.2 | 78% | 0.775 | 72% | 0.715 | S | S | * | * | | | trans | -106.1 | 123.5 | 156.4 | -157.4 | -114.8 | 0 | 0 | 0 | 107.7 | L20 | D18-L20 PolarHBondContact O-N 3.16Š|
| 19 | T | 44.4 | Very low | 55.1 | Low | 117 Ų | 117 | 141.2 Ų | 141.2 | 72% | 0.718 | 71% | 0.707 | S | S | * | * | | | trans | -56.7 | 133.3 | -175.3 | -48.8 | 0 | 0 | 0 | 0 | 107.7 | | |
| 20 | L | 50.5 | Low | 57.2 | Low | 154 Ų | 154 | 140.2 Ų | 140.2 | 81% | 0.806 | 70% | 0.702 | S | S | * | * | | | trans | -28.9 | 126.3 | 169.4 | -77.3 | 158.8 | 0 | 0 | 0 | 110.8 | D18 P22 | D18-L20 PolarHBondContact O-N 3.16Å; L20-P22 VanDerWaalsContact O-N 3.09Å |
| 21 | P | 47.3 | Very low | 59.5 | Low | 110 Ų | 110 | 138.2 Ų | 138.2 | 71% | 0.714 | 69% | 0.692 | S | S | * | * | | | trans | -55.4 | 125.1 | -178.3 | 21.6 | -30.9 | 0 | 0 | 0 | 107.4 | E23 | P21-E23 PolarHBondContact O-N 3Š|
| 22 | P | 52.9 | Low | 61.7 | Low | 103 Ų | 103 | 140.1 Ų | 140.1 | 67% | 0.669 | 69% | 0.689 | S | S | * | * | | | trans | -58.7 | 109.8 | -176.4 | 20.9 | -31.5 | 0 | 0 | 0 | 108.5 | L20 R24 R25 | L20-P22 VanDerWaalsContact O-N 3.09Å; P22-R24 PolarHBondContact O-N 3.49Å; P22-R25 PolarHBondContact O-N 3.04Å |
| 23 | E | 56.4 | Low | 63.8 | Low | 194 Ų | 194 | 137.8 Ų | 137.8 | 91% | 0.907 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | 15.7 | -166.1 | -155.2 | 178.8 | 143.4 | 0 | 0 | 114.3 | P21 | P21-E23 PolarHBondContact O-N 3Š|
| 24 | R | 56.9 | Low | 65.8 | Low | 234 Ų | 234 | 139.2 Ų | 139.2 | 88% | 0.883 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151.1 | 22.4 | -178.2 | -58.3 | -167.4 | 74.7 | 103.2 | 3 | 115 | P22 K26 | P22-R24 PolarHBondContact O-N 3.49Å; R24-K26 PolarHBondContact O-N 2.94Å |
| 25 | R | 71.5 | Confident | 68.3 | Low | 195 Ų | 195 | 136.5 Ų | 136.5 | 74% | 0.736 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 117.2 | 170.8 | -160 | 174.8 | 179.5 | 101.9 | -1.4 | 108.4 | P22 R27 | P22-R25 PolarHBondContact O-N 3.04Å; R25-R27 PolarHBondContact O-N 2.76Å |
| 26 | K | 77.2 | Confident | 71 | Confident | 185 Ų | 185 | 134 Ų | 134 | 80% | 0.804 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -55 | 124 | 172.7 | -66 | 179.6 | 179.1 | -178.1 | 0 | 107.2 | R24 T28 | R24-K26 PolarHBondContact O-N 2.94Å; K26-T28 WeakPolarHBondContact O-CG2 3.35Å; K26-T28 PolarHBondContact O-N 3.14Å |
| 27 | R | 86.8 | Confident | 73.6 | Confident | 233 Ų | 233 | 130 Ų | 130 | 88% | 0.879 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 125.5 | 177.6 | -72.3 | -171.7 | -175.3 | -167 | 1.2 | 108.7 | R25 | R25-R27 PolarHBondContact O-N 2.76Š|
| 28 | T | 90.2 | Very high | 75.8 | Confident | 44 Ų | 44 | 130.7 Ų | 130.7 | 27% | 0.27 | 63% | 0.629 | S | S | . | * | P | Polyproline II helix | trans | -91.2 | 166.2 | -179.5 | 63 | 0 | 0 | 0 | 0 | 110 | K26 E30 D31 F32 | K26-T28 WeakPolarHBondContact O-CG2 3.35Å; K26-T28 PolarHBondContact O-N 3.14Å; T28-E30 WeakPolarHBondContact CB-OE2 3.48Å; T28-E30 PolarHBondContact O-N 3.39Å; T28-E30 PolarHBondContact OG1-OE2 3.2Å; T28-D31 PolarHBondContact N-OD2 3.32Å; T28-D31 WeakPolarHBondContact O-CB 3.23Å; T28-D31 PolarHBondContact O-N 3.15Å; T28-D31 VanDerWaalsContact O-N 3.13Å; T28-D31 PolarHBondContact OG1-N 3.28Å; T28-D31 PolarHBondContact OG1-OD2 3.2Å; T28-F32 PolarHBondContact O-N 3.37Å |
| 29 | V | 90.4 | Very high | 78.7 | Confident | 91 Ų | 91 | 126.8 Ų | 126.8 | 55% | 0.552 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.1 | -30.1 | 175.4 | 64.6 | 0 | 0 | 0 | 0 | 110.6 | D31 F32 N33 | V29-D31 VanDerWaalsContact C-N 3.32Å; V29-D31 PolarHBondContact O-N 3.08Å; V29-F32 PolarHBondContact O-N 3.31Å; V29-N33 WeakPolarHBondContact O-CB 3.49Å; V29-N33 VanDerWaalsContact O-CG 3.23Å; V29-N33 PolarHBondContact O-N 3.32Å; V29-N33 PolarHBondContact O-ND2 3.2Å |
| 30 | E | 91.9 | Very high | 81 | Confident | 111 Ų | 111 | 124.3 Ų | 124.3 | 52% | 0.519 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.8 | -36.9 | 173.1 | -62 | 78.5 | -174.6 | 0 | 0 | 111.5 | T28 N33 K34 | T28-E30 WeakPolarHBondContact CB-OE2 3.48Å; T28-E30 PolarHBondContact O-N 3.39Å; T28-E30 PolarHBondContact OG1-OE2 3.2Å; E30-N33 PolarHBondContact O-N 3.25Å; E30-K34 WeakPolarHBondContact O-CB 3.32Å; E30-K34 VanDerWaalsContact O-CG 3.29Å; E30-K34 WeakPolarHBondContact O-CG 3.49Å; E30-K34 PolarHBondContact O-N 3.13Å |
| 31 | D | 92.5 | Very high | 82.6 | Confident | 60 Ų | 60 | 119.5 Ų | 119.5 | 32% | 0.321 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.8 | -37.5 | 174.8 | -60.4 | -40.8 | 0 | 0 | 0 | 111.8 | T28 V29 K34 F35 | T28-D31 PolarHBondContact N-OD2 3.32Å; T28-D31 WeakPolarHBondContact O-CB 3.23Å; T28-D31 PolarHBondContact O-N 3.15Å; T28-D31 VanDerWaalsContact O-N 3.13Å; T28-D31 PolarHBondContact OG1-N 3.28Å; T28-D31 PolarHBondContact OG1-OD2 3.2Å; V29-D31 VanDerWaalsContact C-N 3.32Å; V29-D31 PolarHBondContact O-N 3.08Å; D31-K34 PolarHBondContact O-N 3.18Å; D31-F35 WeakPolarHBondContact O-CB 3.37Å; D31-F35 PolarHBondContact O-N 3.21Å |
| 32 | F | 93.6 | Very high | 84.5 | Confident | 131 Ų | 131 | 124 Ų | 124 | 58% | 0.575 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.2 | -42.8 | 172.9 | 177.1 | -97.5 | 0 | 0 | 0 | 111.5 | T28 V29 K34 F35 C36 | T28-F32 PolarHBondContact O-N 3.37Å; V29-F32 PolarHBondContact O-N 3.31Å; F32-K34 VanDerWaalsContact C-N 3.35Å; F32-K34 PolarHBondContact O-N 2.88Å; F32-F35 PolarHBondContact O-N 3.43Å; F32-C36 WeakPolarHBondContact O-CB 3.47Å; F32-C36 PolarHBondContact O-N 2.89Å |
| 33 | N | 90.5 | Very high | 86.1 | Confident | 81 Ų | 81 | 121.7 Ų | 121.7 | 43% | 0.433 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.1 | -38.6 | 177.3 | -69.7 | -17.3 | 0 | 0 | 0 | 111.8 | V29 E30 C36 N37 | V29-N33 WeakPolarHBondContact O-CB 3.49Å; V29-N33 VanDerWaalsContact O-CG 3.23Å; V29-N33 PolarHBondContact O-N 3.32Å; V29-N33 PolarHBondContact O-ND2 3.2Å; E30-N33 PolarHBondContact O-N 3.25Å; N33-C36 PolarHBondContact O-N 3.48Å; N33-N37 WeakPolarHBondContact O-CB 3.48Å; N33-N37 PolarHBondContact O-N 3.38Å; N33-N37 PolarHBondContact O-ND2 3.07Å |
| 34 | K | 92.4 | Very high | 87.1 | Confident | 143 Ų | 143 | 115.3 Ų | 115.3 | 62% | 0.622 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.2 | -44.1 | 172.4 | -76.8 | 176.3 | -178.7 | 179.9 | 0 | 112 | E30 D31 F32 N37 F38 | E30-K34 WeakPolarHBondContact O-CB 3.32Å; E30-K34 VanDerWaalsContact O-CG 3.29Å; E30-K34 WeakPolarHBondContact O-CG 3.49Å; E30-K34 PolarHBondContact O-N 3.13Å; D31-K34 PolarHBondContact O-N 3.18Å; F32-K34 VanDerWaalsContact C-N 3.35Å; F32-K34 PolarHBondContact O-N 2.88Å; K34-N37 PolarHBondContact O-N 3.28Å; K34-F38 WeakPolarHBondContact O-CB 3.48Å; K34-F38 PolarHBondContact O-N 3.43Å |
| 35 | F | 93.9 | Very high | 87.8 | Confident | 126 Ų | 126 | 112.9 Ų | 112.9 | 55% | 0.553 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.1 | -44.5 | 176 | 177.3 | -102.9 | 0 | 0 | 0 | 111.8 | D31 F32 N37 F38 V39 | D31-F35 WeakPolarHBondContact O-CB 3.37Å; D31-F35 PolarHBondContact O-N 3.21Å; F32-F35 PolarHBondContact O-N 3.43Å; F35-N37 PolarHBondContact O-N 3.19Å; F35-F38 PolarHBondContact O-N 3.24Å; F35-V39 HydrophobicContact CD1-CG2 4.42Å; F35-V39 HydrophobicContact CD2-CG2 4.41Å; F35-V39 HydrophobicContact CE1-CG2 3.98Å; F35-V39 HydrophobicContact CE2-CG2 3.96Å; F35-V39 HydrophobicContact CZ-CG2 3.73Å; F35-V39 WeakPolarHBondContact O-CG2 3.42Å; F35-V39 PolarHBondContact O-N 3.18Å |
| 36 | C | 92.8 | Very high | 87.6 | Confident | 49 Ų | 49 | 106.7 Ų | 106.7 | 33% | 0.331 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.2 | -48.5 | 176.3 | -169.9 | 0 | 0 | 0 | 0 | 111.3 | F32 N33 F38 V39 L40 | F32-C36 WeakPolarHBondContact O-CB 3.47Å; F32-C36 PolarHBondContact O-N 2.89Å; N33-C36 PolarHBondContact O-N 3.48Å; C36-F38 VanDerWaalsContact C-N 3.33Å; C36-F38 PolarHBondContact O-N 3.34Å; C36-V39 PolarHBondContact O-N 2.77Å; C36-L40 WeakPolarHBondContact O-CB 3.48Å; C36-L40 VanDerWaalsContact O-CG 3.27Å; C36-L40 WeakPolarHBondContact O-CG 3.45Å; C36-L40 PolarHBondContact O-N 3.17Å |
| 37 | N | 92.6 | Very high | 87 | Confident | 92 Ų | 92 | 103.2 Ų | 103.2 | 49% | 0.492 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.5 | -41.4 | 176.8 | -75.3 | -19.9 | 0 | 0 | 0 | 112.4 | N33 K34 F35 L40 A41 I46 | N33-N37 WeakPolarHBondContact O-CB 3.48Å; N33-N37 PolarHBondContact O-N 3.38Å; N33-N37 PolarHBondContact O-ND2 3.07Å; K34-N37 PolarHBondContact O-N 3.28Å; F35-N37 PolarHBondContact O-N 3.19Å; N37-L40 PolarHBondContact O-N 3.46Å; N37-A41 WeakPolarHBondContact O-CB 3.2Å; N37-A41 PolarHBondContact O-N 3Å; N37-I46 HydrophobicContact CB-CD1 4.25Å; N37-I46 WeakPolarHBondContact O-CD1 3.46Å |
| 38 | F | 91.9 | Very high | 85.3 | Confident | 147 Ų | 147 | 98.3 Ų | 98.3 | 65% | 0.645 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.4 | -47.6 | 176.4 | 177.5 | -96.2 | 0 | 0 | 0 | 111.8 | K34 F35 C36 A41 Y42 | K34-F38 WeakPolarHBondContact O-CB 3.48Å; K34-F38 PolarHBondContact O-N 3.43Å; F35-F38 PolarHBondContact O-N 3.24Å; C36-F38 VanDerWaalsContact C-N 3.33Å; C36-F38 PolarHBondContact O-N 3.34Å; F38-A41 PolarHBondContact O-N 3.49Å; F38-Y42 WeakPolarHBondContact O-CB 3.45Å; F38-Y42 PolarHBondContact O-N 2.9Å |
| 39 | V | 95.4 | Very high | 84 | Confident | 63 Ų | 63 | 101.7 Ų | 101.7 | 38% | 0.382 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 177.9 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | F35 C36 Y42 A43 | F35-V39 HydrophobicContact CD1-CG2 4.42Å; F35-V39 HydrophobicContact CD2-CG2 4.41Å; F35-V39 HydrophobicContact CE1-CG2 3.98Å; F35-V39 HydrophobicContact CE2-CG2 3.96Å; F35-V39 HydrophobicContact CZ-CG2 3.73Å; F35-V39 WeakPolarHBondContact O-CG2 3.42Å; F35-V39 PolarHBondContact O-N 3.18Å; C36-V39 PolarHBondContact O-N 2.77Å; V39-Y42 PolarHBondContact O-N 3.18Å; V39-A43 WeakPolarHBondContact O-CB 3.29Å; V39-A43 PolarHBondContact O-N 3.48Å |
| 40 | L | 92.5 | Very high | 81.9 | Confident | 64 Ų | 64 | 106 Ų | 106 | 34% | 0.335 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.5 | -37.6 | 179 | -72.9 | 172 | 0 | 0 | 0 | 112.8 | C36 N37 A43 G44 Y45 I46 | C36-L40 WeakPolarHBondContact O-CB 3.48Å; C36-L40 VanDerWaalsContact O-CG 3.27Å; C36-L40 WeakPolarHBondContact O-CG 3.45Å; C36-L40 PolarHBondContact O-N 3.17Å; N37-L40 PolarHBondContact O-N 3.46Å; L40-A43 PolarHBondContact O-N 2.92Å; L40-G44 PolarHBondContact O-N 3.4Å; L40-Y45 HydrophobicContact CD2-CG 4.48Å; L40-Y45 PolarHBondContact O-N 2.99Å; L40-I46 HydrophobicContact CB-CD1 3.6Å; L40-I46 HydrophobicContact CB-CG1 3.82Å; L40-I46 HydrophobicContact CD1-CD1 4.41Å; L40-I46 PolarHBondContact O-N 3.36Å |
| 41 | A | 84.8 | Confident | 80.3 | Confident | 54 Ų | 54 | 109.7 Ų | 109.7 | 45% | 0.446 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.2 | -44 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | N37 F38 A43 G44 I46 | N37-A41 WeakPolarHBondContact O-CB 3.2Å; N37-A41 PolarHBondContact O-N 3Å; F38-A41 PolarHBondContact O-N 3.49Å; A41-A43 VanDerWaalsContact C-N 3.32Å; A41-A43 PolarHBondContact O-N 3.4Å; A41-G44 PolarHBondContact O-N 2.84Å; A41-G44 VanDerWaalsContact O-N 3.09Å; A41-I46 HydrophobicContact CB-CB 4.43Å; A41-I46 HydrophobicContact CB-CD1 4.46Å |
| 42 | Y | 87.8 | Confident | 78 | Confident | 203 Ų | 203 | 115.9 Ų | 115.9 | 80% | 0.796 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -61.3 | -40.9 | 174.9 | 178.9 | -100.1 | 0 | 0 | 0 | 112.4 | F38 V39 G44 | F38-Y42 WeakPolarHBondContact O-CB 3.45Å; F38-Y42 PolarHBondContact O-N 2.9Å; V39-Y42 PolarHBondContact O-N 3.18Å; Y42-G44 PolarHBondContact O-N 3.25Å |
| 43 | A | 86.9 | Confident | 75.8 | Confident | 55 Ų | 55 | 111.4 Ų | 111.4 | 46% | 0.455 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.6 | 2.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | V39 L40 A41 Y45 | V39-A43 WeakPolarHBondContact O-CB 3.29Å; V39-A43 PolarHBondContact O-N 3.48Å; L40-A43 PolarHBondContact O-N 2.92Å; A41-A43 VanDerWaalsContact C-N 3.32Å; A41-A43 PolarHBondContact O-N 3.4Å; A43-Y45 VanDerWaalsContact C-N 3.28Å; A43-Y45 HydrophobicContact CB-CD2 3.73Å; A43-Y45 HydrophobicContact CB-CE2 4.16Å; A43-Y45 WeakPolarHBondContact O-CD2 3.46Å; A43-Y45 PolarHBondContact O-N 3.48Å |
| 44 | G | 75.6 | Confident | 73.7 | Confident | 60 Ų | 60 | 113.7 Ų | 113.7 | 62% | 0.619 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73 | 13.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | L40 A41 Y42 | L40-G44 PolarHBondContact O-N 3.4Å; A41-G44 PolarHBondContact O-N 2.84Å; A41-G44 VanDerWaalsContact O-N 3.09Å; Y42-G44 PolarHBondContact O-N 3.25Å |
| 45 | Y | 73 | Confident | 71 | Confident | 183 Ų | 183 | 118.3 Ų | 118.3 | 72% | 0.718 | 62% | 0.617 | S | S | * | * | | | trans | -84.6 | -16.5 | 178.5 | -77.7 | -82.8 | 0 | 0 | 0 | 113.6 | L40 A43 P47 | L40-Y45 HydrophobicContact CD2-CG 4.48Å; L40-Y45 PolarHBondContact O-N 2.99Å; A43-Y45 VanDerWaalsContact C-N 3.28Å; A43-Y45 HydrophobicContact CB-CD2 3.73Å; A43-Y45 HydrophobicContact CB-CE2 4.16Å; A43-Y45 WeakPolarHBondContact O-CD2 3.46Å; A43-Y45 PolarHBondContact O-N 3.48Å; Y45-P47 WeakPolarHBondContact O-CD 3.47Å |
| 46 | I | 66.6 | Low | 68.3 | Low | 66 Ų | 66 | 117.1 Ų | 117.1 | 34% | 0.338 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -103.3 | 109 | 170.5 | -62.2 | 171.8 | 0 | 0 | 0 | 106.8 | N37 L40 A41 N48 | N37-I46 HydrophobicContact CB-CD1 4.25Å; N37-I46 WeakPolarHBondContact O-CD1 3.46Å; L40-I46 HydrophobicContact CB-CD1 3.6Å; L40-I46 HydrophobicContact CB-CG1 3.82Å; L40-I46 HydrophobicContact CD1-CD1 4.41Å; L40-I46 PolarHBondContact O-N 3.36Å; A41-I46 HydrophobicContact CB-CB 4.43Å; A41-I46 HydrophobicContact CB-CD1 4.46Å; I46-N48 PolarHBondContact O-N 2.74Å |
| 47 | P | 64.6 | Low | 66.4 | Low | 111 Ų | 111 | 121.1 Ų | 121.1 | 72% | 0.721 | 65% | 0.65 | S | S | * | * | | | trans | -52.2 | 125.5 | 167.9 | -24.8 | 34.3 | 0 | 0 | 0 | 109.1 | Y45 | Y45-P47 WeakPolarHBondContact O-CD 3.47Š|
| 48 | N | 51.7 | Low | 63.5 | Low | 131 Ų | 131 | 120.9 Ų | 120.9 | 70% | 0.701 | 66% | 0.661 | S | S | * | * | | | trans | -56.4 | 128.2 | 170.5 | -160.6 | 7.6 | 0 | 0 | 0 | 106.8 | I46 K50 | I46-N48 PolarHBondContact O-N 2.74Å; N48-K50 PolarHBondContact O-N 2.86Å |
| 49 | P | 61.9 | Low | 60.7 | Low | 115 Ų | 115 | 119.5 Ų | 119.5 | 75% | 0.747 | 67% | 0.669 | S | S | * | * | | | trans | -64.9 | 84.9 | 165.9 | 28 | -32.9 | 0 | 0 | 0 | 106.8 | E51 | P49-E51 PolarHBondContact O-N 2.87Å; P49-E51 VanDerWaalsContact O-N 3.13Å |
| 50 | K | 47.9 | Very low | 58.2 | Low | 182 Ų | 182 | 121.8 Ų | 121.8 | 79% | 0.791 | 69% | 0.688 | S | S | * | * | | | trans | -61.4 | 116.1 | 167.3 | -89.2 | -176.4 | 173.8 | 178.1 | 0 | 106.2 | N48 | N48-K50 PolarHBondContact O-N 2.86Š|
| 51 | E | 56.3 | Low | 55.4 | Low | 188 Ų | 188 | 124.2 Ų | 124.2 | 88% | 0.879 | 71% | 0.71 | S | S | * | * | | | trans | 36.4 | 94.4 | 158.1 | -74.4 | -178.1 | 123.1 | 0 | 0 | 115.7 | P49 | P49-E51 PolarHBondContact O-N 2.87Å; P49-E51 VanDerWaalsContact O-N 3.13Å |
| 52 | E | 45.3 | Very low | 53.1 | Low | 190 Ų | 190 | 126.8 Ų | 126.8 | 89% | 0.888 | 73% | 0.725 | S | S | * | * | | | trans | -94.3 | 99.8 | 141.4 | -140.7 | -173.5 | -158.4 | 0 | 0 | 107.2 | | |
| 53 | G | 48 | Very low | 50.8 | Low | 37 Ų | 37 | 123.3 Ų | 123.3 | 38% | 0.381 | 73% | 0.728 | S | S | . | * | | | trans | -57 | 153.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | W55 | G53-W55 PolarHBondContact O-N 3.43Š|
| 54 | P | 46 | Very low | 48.4 | Very low | 128 Ų | 128 | 128.4 Ų | 128.4 | 83% | 0.831 | 74% | 0.742 | S | S | * | * | | | trans | -69.1 | 87.5 | -175.5 | 26.2 | -32.5 | 0 | 0 | 0 | 111.5 | S56 | P54-S56 PolarHBondContact O-N 3.35Š|
| 55 | W | 35.3 | Very low | 46.4 | Very low | 240 Ų | 240 | 130.6 Ų | 130.6 | 91% | 0.909 | 75% | 0.748 | S | S | * | * | | | trans | -80.1 | 99 | 164.5 | -72.1 | 83.5 | 0 | 0 | 0 | 108.3 | G53 | G53-W55 PolarHBondContact O-N 3.43Š|
| 56 | S | 36.6 | Very low | 44.7 | Very low | 102 Ų | 102 | 127.9 Ų | 127.9 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | | | trans | -60 | 151.9 | 174.1 | -65 | 0 | 0 | 0 | 0 | 111.6 | P54 A58 | P54-S56 PolarHBondContact O-N 3.35Å; S56-A58 PolarHBondContact O-N 3.44Å |
| 57 | P | 53.4 | Low | 43 | Very low | 132 Ų | 132 | 128.5 Ų | 128.5 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | | | trans | -82.9 | 112.6 | 176.8 | 32.8 | -29.3 | 0 | 0 | 0 | 110.1 | | |
| 58 | A | 31.6 | Very low | 41.7 | Very low | 88 Ų | 88 | 127.5 Ų | 127.5 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | trans | -156.9 | 106.6 | 161.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S56 | S56-A58 PolarHBondContact O-N 3.44Š|
| 59 | S | 32.7 | Very low | 41.2 | Very low | 117 Ų | 117 | 126.8 Ų | 126.8 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | | 56 | 113.3 | 129.8 | -53 | 0 | 0 | 0 | 0 | 121.4 | | |
| 60 | S | 44 | Very low | 40 | Very low | 111 Ų | 111 | 124.9 Ų | 124.9 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | | | | 51.6 | 112 | 123.7 | 170.4 | 0 | 0 | 0 | 0 | 119.2 | | |
| 61 | S | 33 | Very low | 39.6 | Very low | 115 Ų | 115 | 124.3 Ų | 124.3 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | | -179.1 | 136.3 | 108.4 | 27.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 62 | S | 38 | Very low | 38.9 | Very low | 109 Ų | 109 | 120.5 Ų | 120.5 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | | | trans | -65.3 | 165.8 | 174 | -50.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 63 | P | 38.8 | Very low | 38.5 | Very low | 130 Ų | 130 | 115 Ų | 115 | 84% | 0.844 | 77% | 0.774 | S | S | * | * | | | | -135.6 | 160.9 | 109.7 | 33.9 | -20.8 | 0 | 0 | 0 | 113.8 | | |
| 64 | H | 37 | Very low | 37.8 | Very low | 162 Ų | 162 | 117.6 Ų | 117.6 | 75% | 0.75 | 80% | 0.8 | S | S | * | * | | | trans | -114.5 | 141.8 | -169.1 | 48.8 | 117.4 | 0 | 0 | 0 | 109.4 | | |
| 65 | S | 32.5 | Very low | 37.2 | Very low | 106 Ų | 106 | 115 Ų | 115 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | | | trans | 70.5 | 127.4 | 155.6 | -46.9 | 0 | 0 | 0 | 0 | 116.9 | | |
| 66 | S | 37.7 | Very low | 37.2 | Very low | 125 Ų | 125 | 107.1 Ų | 107.1 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | | | | -175.5 | 156 | 67.9 | -54.6 | 0 | 0 | 0 | 0 | 108 | | |
| 67 | G | 30 | Very low | 37 | Very low | 79 Ų | 79 | 111.7 Ų | 111.7 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | | | cis | -169.3 | 166.6 | 10.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 68 | A | 38.1 | Very low | 36.1 | Very low | 91 Ų | 91 | 109.4 Ų | 109.4 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | | | trans | -113.4 | 154.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 69 | S | 40.8 | Very low | 36.2 | Very low | 116 Ų | 116 | 109.2 Ų | 109.2 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | | | trans | 94.8 | 118.1 | 146.9 | -50.4 | 0 | 0 | 0 | 0 | 118.5 | | |
| 70 | G | 36.7 | Very low | 36.4 | Very low | 74 Ų | 74 | 107.7 Ų | 107.7 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | | | trans | -68.7 | 140.2 | 143.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 71 | E | 40.7 | Very low | 36.1 | Very low | 170 Ų | 170 | 105.8 Ų | 105.8 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | | | trans | -49.3 | 157.9 | 157.6 | 57 | 106.4 | 104.6 | 0 | 0 | 111.8 | | |
| 72 | S | 41.3 | Very low | 36.3 | Very low | 108 Ų | 108 | 106 Ų | 106 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | | | cis | -163.1 | 168.3 | 33.1 | 38 | 0 | 0 | 0 | 0 | 107 | | |
| 73 | G | 35.9 | Very low | 37 | Very low | 76 Ų | 76 | 106.1 Ų | 106.1 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | | | cis | 172.4 | 159.4 | 4.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 74 | G | 33.7 | Very low | 37.8 | Very low | 90 Ų | 90 | 108.7 Ų | 108.7 | 93% | 0.928 | 82% | 0.817 | S | S | * | * | | | trans | 76 | 139.5 | 166 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 75 | G | 34.6 | Very low | 37.6 | Very low | 75 Ų | 75 | 104.4 Ų | 104.4 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | | | cis | -173.4 | 174.5 | 4.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 76 | G | 34.2 | Very low | 38 | Very low | 74 Ų | 74 | 104.4 Ų | 104.4 | 76% | 0.763 | 82% | 0.822 | S | S | * | * | | | trans | -53.1 | 173.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 77 | E | 33.1 | Very low | 37.9 | Very low | 197 Ų | 197 | 103.6 Ų | 103.6 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | | | cis | -175.1 | 151.8 | 45.2 | -1.4 | 176.9 | 100.2 | 0 | 0 | 108.3 | | |
| 78 | G | 33.7 | Very low | 38.4 | Very low | 84 Ų | 84 | 112.5 Ų | 112.5 | 87% | 0.866 | 83% | 0.826 | S | S | * | * | | | trans | 82.7 | 102.5 | 141.9 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 79 | G | 34.1 | Very low | 38.4 | Very low | 84 Ų | 84 | 111 Ų | 111 | 87% | 0.866 | 82% | 0.82 | S | S | * | * | | | | 105.3 | 100.1 | 123.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 80 | G | 37.2 | Very low | 38.9 | Very low | 85 Ų | 85 | 113.9 Ų | 113.9 | 88% | 0.876 | 83% | 0.826 | S | S | * | * | | | | 91.5 | 115.5 | 126.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 81 | G | 36.4 | Very low | 39.3 | Very low | 72 Ų | 72 | 112.6 Ų | 112.6 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | | | trans | 115.8 | 97.9 | 138.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 82 | S | 38.6 | Very low | 39.8 | Very low | 119 Ų | 119 | 107.6 Ų | 107.6 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | | | trans | 58.8 | 107.3 | 134.1 | -46.8 | 0 | 0 | 0 | 0 | 120.1 | | |
| 83 | S | 51.8 | Low | 40.7 | Very low | 112 Ų | 112 | 109.8 Ų | 109.8 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | S | Bend | trans | 26.4 | 128.2 | 134.6 | -52.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 84 | L | 55.2 | Low | 41.7 | Very low | 184 Ų | 184 | 111.1 Ų | 111.1 | 96% | 0.963 | 80% | 0.8 | S | S | * | * | | | trans | 87.9 | 89.3 | 160.5 | -48.7 | 165.7 | 0 | 0 | 0 | 115.7 | | |
| 85 | G | 33.1 | Very low | 43 | Very low | 71 Ų | 71 | 112.7 Ų | 112.7 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | | | trans | 176.3 | 102.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 86 | A | 41.4 | Very low | 44.2 | Very low | 106 Ų | 106 | 116 Ų | 116 | 88% | 0.876 | 78% | 0.781 | S | S | * | * | | | | 92.3 | 132.8 | 83.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 87 | S | 35.6 | Very low | 45.7 | Very low | 109 Ų | 109 | 116.7 Ų | 116.7 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | | | trans | 139.1 | 84.5 | 138.8 | -160.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 88 | W | 39.8 | Very low | 47.2 | Very low | 265 Ų | 265 | 111.3 Ų | 111.3 | 100% | 1.004 | 75% | 0.747 | S | S | * | * | | | trans | -89.5 | 119.7 | 130.3 | -76.8 | 74.3 | 0 | 0 | 0 | 104.9 | | |
| 89 | G | 39.2 | Very low | 48.6 | Very low | 61 Ų | 61 | 112.9 Ų | 112.9 | 63% | 0.629 | 73% | 0.732 | S | S | * | * | | | trans | -65.4 | 163 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 90 | D | 51.6 | Low | 49.9 | Very low | 175 Ų | 175 | 112.3 Ų | 112.3 | 94% | 0.936 | 71% | 0.711 | S | S | * | * | | | trans | 74.1 | 89.8 | 156.1 | -135.4 | 104.5 | 0 | 0 | 0 | 118.1 | | |
| 91 | G | 43.5 | Very low | 51 | Low | 48 Ų | 48 | 116.4 Ų | 116.4 | 50% | 0.495 | 71% | 0.705 | S | S | . | * | | | trans | -173.8 | 20.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113 | N93 | G91-N93 VanDerWaalsContact C-N 3.32Å; G91-N93 PolarHBondContact O-N 2.93Å |
| 92 | G | 51.5 | Low | 52.5 | Low | 64 Ų | 64 | 117.2 Ų | 117.2 | 66% | 0.66 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -11.7 | -161.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 93 | N | 60 | Low | 53.5 | Low | 154 Ų | 154 | 120.1 Ų | 120.1 | 82% | 0.824 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -16.1 | -174.9 | -90.8 | 20.4 | 0 | 0 | 0 | 115.2 | G91 T97 | G91-N93 VanDerWaalsContact C-N 3.32Å; G91-N93 PolarHBondContact O-N 2.93Å; N93-T97 PolarHBondContact O-OG1 3.38Å |
| 94 | D | 56.5 | Low | 54 | Low | 105 Ų | 105 | 122.5 Ų | 122.5 | 56% | 0.561 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -34.7 | -176.3 | -166.1 | 36 | 0 | 0 | 0 | 112.7 | H96 T97 I98 | D94-H96 PolarHBondContact O-N 3.4Å; D94-T97 PolarHBondContact O-N 2.87Å; D94-I98 WeakPolarHBondContact O-CD1 3.4Å; D94-I98 VanDerWaalsContact O-CG1 3.32Å; D94-I98 WeakPolarHBondContact O-CG1 3.27Å; D94-I98 PolarHBondContact O-N 3.07Å |
| 95 | L | 61.4 | Low | 54.1 | Low | 122 Ų | 122 | 117.4 Ų | 117.4 | 64% | 0.639 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -69.2 | -29.8 | -177.4 | -89.2 | 144.3 | 0 | 0 | 0 | 114.3 | H99 | L95-H99 WeakPolarHBondContact O-CB 3.43Å; L95-H99 PolarHBondContact O-N 3.4Å |
| 96 | H | 60.5 | Low | 55.3 | Low | 144 Ų | 144 | 124.3 Ų | 124.3 | 67% | 0.667 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -74 | -32.9 | 176.6 | -168.4 | -94.1 | 0 | 0 | 0 | 112.2 | D94 T100 | D94-H96 PolarHBondContact O-N 3.4Å; H96-T100 WeakPolarHBondContact O-CB 3.49Å; H96-T100 PolarHBondContact O-N 3.23Å; H96-T100 VanDerWaalsContact O-N 3.14Å; H96-T100 PolarHBondContact O-OG1 2.88Å |
| 97 | T | 65.8 | Low | 55.9 | Low | 89 Ų | 89 | 123.3 Ų | 123.3 | 55% | 0.546 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -69 | -45.8 | 178.2 | -54.4 | 0 | 0 | 0 | 0 | 110.9 | N93 D94 T100 F101 | N93-T97 PolarHBondContact O-OG1 3.38Å; D94-T97 PolarHBondContact O-N 2.87Å; T97-T100 PolarHBondContact O-N 2.86Å; T97-F101 PolarHBondContact O-N 3.2Å; T97-F101 VanDerWaalsContact O-N 3.15Å |
| 98 | I | 63.6 | Low | 56.9 | Low | 85 Ų | 85 | 125.1 Ų | 125.1 | 44% | 0.436 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -64.6 | -42.9 | 178.3 | -60.8 | 164.2 | 0 | 0 | 0 | 110.8 | D94 T100 F101 V102 | D94-I98 WeakPolarHBondContact O-CD1 3.4Å; D94-I98 VanDerWaalsContact O-CG1 3.32Å; D94-I98 WeakPolarHBondContact O-CG1 3.27Å; D94-I98 PolarHBondContact O-N 3.07Å; I98-T100 VanDerWaalsContact C-N 3.3Å; I98-T100 PolarHBondContact O-N 3.26Å; I98-F101 PolarHBondContact O-N 3.24Å; I98-V102 WeakPolarHBondContact O-CG2 3.36Å; I98-V102 PolarHBondContact O-N 3.26Å; I98-V102 VanDerWaalsContact O-N 3.08Å |
| 99 | H | 64 | Low | 57.8 | Low | 117 Ų | 117 | 122.1 Ų | 122.1 | 54% | 0.542 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -63.7 | -34.3 | 177 | -111.7 | -93.5 | 0 | 0 | 0 | 113.2 | L95 R103 | L95-H99 WeakPolarHBondContact O-CB 3.43Å; L95-H99 PolarHBondContact O-N 3.4Å; H99-R103 VanDerWaalsContact O-CB 3.23Å; H99-R103 WeakPolarHBondContact O-CB 3.33Å; H99-R103 PolarHBondContact O-N 2.92Å |
| 100 | T | 62.1 | Low | 58.5 | Low | 71 Ų | 71 | 122.2 Ų | 122.2 | 44% | 0.436 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -70.3 | -38.7 | 178.5 | -56.6 | 0 | 0 | 0 | 0 | 111.5 | H96 T97 I98 K104 | H96-T100 WeakPolarHBondContact O-CB 3.49Å; H96-T100 PolarHBondContact O-N 3.23Å; H96-T100 VanDerWaalsContact O-N 3.14Å; H96-T100 PolarHBondContact O-OG1 2.88Å; T97-T100 PolarHBondContact O-N 2.86Å; I98-T100 VanDerWaalsContact C-N 3.3Å; I98-T100 PolarHBondContact O-N 3.26Å; T100-K104 WeakPolarHBondContact O-CB 3.46Å; T100-K104 PolarHBondContact O-N 3.32Å |
| 101 | F | 59.4 | Low | 58.7 | Low | 171 Ų | 171 | 124.3 Ų | 124.3 | 75% | 0.75 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -68.4 | -43.4 | 177.6 | -142.7 | -95.2 | 0 | 0 | 0 | 112 | T97 I98 K104 A105 | T97-F101 PolarHBondContact O-N 3.2Å; T97-F101 VanDerWaalsContact O-N 3.15Å; I98-F101 PolarHBondContact O-N 3.24Å; F101-K104 PolarHBondContact O-N 2.99Å; F101-A105 PolarHBondContact O-N 3.47Å; F101-A105 VanDerWaalsContact O-N 3.16Å |
| 102 | V | 69 | Low | 58.5 | Low | 89 Ų | 89 | 127.8 Ų | 127.8 | 54% | 0.539 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -67.9 | -35.7 | 177.3 | 176 | 0 | 0 | 0 | 0 | 111.8 | I98 R106 | I98-V102 WeakPolarHBondContact O-CG2 3.36Å; I98-V102 PolarHBondContact O-N 3.26Å; I98-V102 VanDerWaalsContact O-N 3.08Å; V102-R106 PolarHBondContact O-N 3.31Å |
| 103 | R | 59.6 | Low | 58.7 | Low | 181 Ų | 181 | 132.2 Ų | 132.2 | 68% | 0.683 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -72 | -36 | 175.7 | -167.7 | 176.2 | -73.6 | 174.9 | -2.2 | 112.4 | H99 A105 R106 A107 | H99-R103 VanDerWaalsContact O-CB 3.23Å; H99-R103 WeakPolarHBondContact O-CB 3.33Å; H99-R103 PolarHBondContact O-N 2.92Å; R103-A105 VanDerWaalsContact C-N 3.34Å; R103-A105 PolarHBondContact O-N 3.41Å; R103-R106 PolarHBondContact O-N 3.34Å; R103-A107 WeakPolarHBondContact O-CB 3.41Å; R103-A107 PolarHBondContact O-N 2.92Å; R103-A107 VanDerWaalsContact O-N 3.08Å |
| 104 | K | 60.8 | Low | 58.1 | Low | 161 Ų | 161 | 135.7 Ų | 135.7 | 70% | 0.7 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -65 | -35.7 | 175 | -169.3 | 85.9 | 82.6 | 168.9 | 0 | 112 | T100 F101 | T100-K104 WeakPolarHBondContact O-CB 3.46Å; T100-K104 PolarHBondContact O-N 3.32Å; F101-K104 PolarHBondContact O-N 2.99Å |
| 105 | A | 57.5 | Low | 58.1 | Low | 78 Ų | 78 | 141 Ų | 141 | 65% | 0.645 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -73.9 | -31.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | F101 R103 | F101-A105 PolarHBondContact O-N 3.47Å; F101-A105 VanDerWaalsContact O-N 3.16Å; R103-A105 VanDerWaalsContact C-N 3.34Å; R103-A105 PolarHBondContact O-N 3.41Å |
| 106 | R | 59.3 | Low | 57 | Low | 216 Ų | 216 | 143.7 Ų | 143.7 | 82% | 0.815 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -83.8 | -23.6 | 178 | -100.8 | -176.7 | 175.8 | -165.3 | 0.1 | 114.8 | V102 R103 | V102-R106 PolarHBondContact O-N 3.31Å; R103-R106 PolarHBondContact O-N 3.34Å |
| 107 | A | 53.7 | Low | 56.2 | Low | 84 Ų | 84 | 144.8 Ų | 144.8 | 69% | 0.694 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -12.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | R103 K109 | R103-A107 WeakPolarHBondContact O-CB 3.41Å; R103-A107 PolarHBondContact O-N 2.92Å; R103-A107 VanDerWaalsContact O-N 3.08Å; A107-K109 PolarHBondContact O-N 3.16Å |
| 108 | N | 55.7 | Low | 55.2 | Low | 148 Ų | 148 | 145.8 Ų | 145.8 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 16.7 | 179.4 | -163.9 | 35.6 | 0 | 0 | 0 | 114.1 | | |
| 109 | K | 59.4 | Low | 54.2 | Low | 202 Ų | 202 | 148.2 Ų | 148.2 | 88% | 0.878 | 74% | 0.739 | S | S | * | * | | | trans | -109.3 | 75 | 177.3 | -163.8 | 154.4 | -178.5 | 171.7 | 0 | 110.3 | A107 | A107-K109 PolarHBondContact O-N 3.16Š|
| 110 | G | 53.3 | Low | 53.5 | Low | 62 Ų | 62 | 147.2 Ų | 147.2 | 64% | 0.639 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 169.6 | 101 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 111 | K | 55.6 | Low | 53.2 | Low | 219 Ų | 219 | 147.8 Ų | 147.8 | 95% | 0.952 | 75% | 0.752 | S | S | * | * | | | trans | 78.1 | 95.4 | 150.3 | -55.7 | 169.3 | 179.8 | 175.3 | 0 | 117.9 | | |
| 112 | S | 40.5 | Very low | 52.8 | Low | 121 Ų | 121 | 147 Ų | 147 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | | | | -148.9 | 103.6 | 129.4 | -168.1 | 0 | 0 | 0 | 0 | 110 | | |
| 113 | M | 54.5 | Low | 52.1 | Low | 158 Ų | 158 | 149.8 Ų | 149.8 | 78% | 0.778 | 77% | 0.765 | S | S | * | * | | | trans | -87.8 | 107 | 172.2 | -162.5 | -96.6 | -68.5 | 0 | 0 | 106.5 | | |
| 114 | R | 48.6 | Very low | 51.7 | Low | 226 Ų | 226 | 146.7 Ų | 146.7 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | | | trans | -142.9 | 109.9 | 148.2 | -74.4 | -141.5 | -77.1 | -121.1 | 8.8 | 108.9 | M116 | R114-M116 PolarHBondContact O-N 3.25Š|
| 115 | R | 54.8 | Low | 51.5 | Low | 216 Ų | 216 | 147.9 Ų | 147.9 | 82% | 0.815 | 77% | 0.768 | S | S | * | * | | | trans | -50.1 | 124.2 | 165.4 | -80.3 | 179.3 | -110.6 | -158 | -5.4 | 109.4 | | |
| 116 | M | 40.3 | Very low | 51.1 | Low | 179 Ų | 179 | 151.9 Ų | 151.9 | 88% | 0.882 | 78% | 0.775 | S | S | * | * | | | trans | -144.4 | 118.4 | 149.5 | -74.8 | -56.2 | 153.3 | 0 | 0 | 108.2 | R114 | R114-M116 PolarHBondContact O-N 3.25Š|
| 117 | H | 42.9 | Very low | 50.7 | Low | 167 Ų | 167 | 151.1 Ų | 151.1 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | | | trans | 30.1 | 109.8 | 163.2 | -121 | -105.8 | 0 | 0 | 0 | 119.5 | D119 | H117-D119 PolarHBondContact O-N 2.89Å; H117-D119 VanDerWaalsContact O-N 3.17Å |
| 118 | S | 45.2 | Very low | 50.5 | Low | 110 Ų | 110 | 154.7 Ų | 154.7 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | | | trans | -65.9 | 106.5 | 156.4 | -49.7 | 0 | 0 | 0 | 0 | 108.3 | S120 | S118-S120 PolarHBondContact O-N 3.36Š|
| 119 | D | 41.3 | Very low | 50.3 | Low | 137 Ų | 137 | 156.9 Ų | 156.9 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | | | trans | -70.8 | 82 | 161.5 | -79.7 | -34.9 | 0 | 0 | 0 | 108.7 | H117 S121 | H117-D119 PolarHBondContact O-N 2.89Å; H117-D119 VanDerWaalsContact O-N 3.17Å; D119-S121 PolarHBondContact O-N 3.28Å |
| 120 | S | 50.5 | Low | 49.5 | Very low | 96 Ų | 96 | 154.6 Ų | 154.6 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 23.8 | 166.8 | 64.1 | 0 | 0 | 0 | 0 | 112.6 | S118 | S118-S120 PolarHBondContact O-N 3.36Š|
| 121 | S | 55.4 | Low | 49.1 | Very low | 83 Ų | 83 | 156.8 Ų | 156.8 | 58% | 0.58 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -15.1 | -174.9 | -165.8 | 0 | 0 | 0 | 0 | 113.7 | D119 | D119-S121 PolarHBondContact O-N 3.28Š|
| 122 | L | 51.1 | Low | 48.9 | Very low | 154 Ų | 154 | 154.4 Ų | 154.4 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -19.3 | -178.2 | -136.6 | 165.9 | 0 | 0 | 0 | 113.6 | | |
| 123 | L | 54.4 | Low | 48.9 | Very low | 147 Ų | 147 | 158.9 Ų | 158.9 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -14.4 | 177.9 | -61.2 | 174.6 | 0 | 0 | 0 | 113.3 | M126 | L123-M126 PolarHBondContact O-N 3.5Š|
| 124 | D | 49.8 | Very low | 48.2 | Very low | 116 Ų | 116 | 158.7 Ų | 158.7 | 62% | 0.62 | 78% | 0.783 | S | S | * | * | G | 310 helix | trans | -78.7 | -18 | -177.9 | -156 | -111.3 | 0 | 0 | 0 | 113.4 | M126 | D124-M126 VanDerWaalsContact C-N 3.26Å; D124-M126 PolarHBondContact O-N 2.95Å |
| 125 | K | 57.5 | Low | 47.5 | Very low | 187 Ų | 187 | 152.7 Ų | 152.7 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -81.4 | 1.8 | 174.4 | -77.6 | 176.8 | 173.4 | 169.1 | 0 | 114.6 | | |
| 126 | M | 49.1 | Very low | 46.5 | Very low | 162 Ų | 162 | 151.2 Ų | 151.2 | 80% | 0.798 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -109 | 3.8 | 173.4 | -80.3 | -177.8 | 58 | 0 | 0 | 114.4 | L123 D124 L128 | L123-M126 PolarHBondContact O-N 3.5Å; D124-M126 VanDerWaalsContact C-N 3.26Å; D124-M126 PolarHBondContact O-N 2.95Å; M126-L128 PolarHBondContact O-N 2.99Å |
| 127 | R | 50.2 | Low | 46.2 | Very low | 199 Ų | 199 | 147.2 Ų | 147.2 | 75% | 0.751 | 77% | 0.773 | S | S | * | * | | | trans | -82.6 | 73.2 | 165.2 | -78.7 | -171.2 | 91.2 | 173.6 | 5.3 | 110.7 | K129 | R127-K129 PolarHBondContact O-N 3.45Š|
| 128 | L | 50.3 | Low | 45.8 | Very low | 160 Ų | 160 | 143.3 Ų | 143.3 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | | | trans | -69.8 | 90.1 | 157.1 | -74.2 | 172.6 | 0 | 0 | 0 | 108.7 | M126 | M126-L128 PolarHBondContact O-N 2.99Š|
| 129 | K | 52 | Low | 45.2 | Very low | 193 Ų | 193 | 141.9 Ų | 141.9 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | | | trans | 59.2 | 59.4 | 137.2 | -151.1 | 149.9 | -175.5 | 169.5 | 0 | 117.5 | R127 | R127-K129 PolarHBondContact O-N 3.45Š|
| 130 | D | 43.1 | Very low | 44.9 | Very low | 154 Ų | 154 | 145.4 Ų | 145.4 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | | | trans | -101.6 | 84.1 | 149.6 | -95.9 | -63.2 | 0 | 0 | 0 | 108.8 | | |
| 131 | S | 43.1 | Very low | 44.3 | Very low | 108 Ų | 108 | 145.2 Ų | 145.2 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | | | trans | -153.1 | 86.1 | 163.7 | -167.8 | 0 | 0 | 0 | 0 | 109 | | |
| 132 | L | 52.4 | Low | 43.7 | Very low | 169 Ų | 169 | 148.6 Ų | 148.6 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -152.6 | 122.9 | 132.3 | -103.5 | 171.1 | 0 | 0 | 0 | 106.1 | | |
| 133 | Y | 40.3 | Very low | 43.4 | Very low | 216 Ų | 216 | 152.4 Ų | 152.4 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | | | trans | 93.8 | 69.7 | 173.8 | -118.4 | -94.5 | 0 | 0 | 0 | 118.5 | | |
| 134 | D | 40.2 | Very low | 43.2 | Very low | 153 Ų | 153 | 154 Ų | 154 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -135.9 | 105.8 | 131 | -171.6 | -107.7 | 0 | 0 | 0 | 109.9 | | |
| 135 | S | 34.1 | Very low | 43.2 | Very low | 100 Ų | 100 | 157.8 Ų | 157.8 | 70% | 0.699 | 82% | 0.816 | S | S | * | * | | | trans | -170 | 98.3 | 150.8 | -81.3 | 0 | 0 | 0 | 0 | 106.5 | | |
| 136 | Q | 34.4 | Very low | 42.7 | Very low | 186 Ų | 186 | 155.1 Ų | 155.1 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | | | | 164.2 | 127.5 | 107.1 | -164 | 165.8 | -48.6 | 0 | 0 | 110.7 | | |
| 137 | A | 33.1 | Very low | 42.6 | Very low | 94 Ų | 94 | 156.6 Ų | 156.6 | 78% | 0.777 | 81% | 0.812 | S | S | * | * | | | trans | -58.4 | 153.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 138 | G | 34.3 | Very low | 42.3 | Very low | 85 Ų | 85 | 155.7 Ų | 155.7 | 88% | 0.876 | 81% | 0.814 | S | S | * | * | | | trans | 32.6 | 125.7 | 141.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 139 | G | 32.5 | Very low | 41.7 | Very low | 80 Ų | 80 | 154 Ų | 154 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | | | trans | 178.2 | 138.5 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 140 | K | 35.8 | Very low | 41 | Very low | 211 Ų | 211 | 153.2 Ų | 153.2 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | | | trans | -82 | 171.2 | -167.6 | -57.8 | -161.4 | 175.2 | -173.8 | 0 | 114.5 | | |
| 141 | A | 36.8 | Very low | 40.9 | Very low | 93 Ų | 93 | 153.9 Ų | 153.9 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | | | trans | 95.8 | 109.5 | 143.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 142 | E | 43.1 | Very low | 40.6 | Very low | 154 Ų | 154 | 155.8 Ų | 155.8 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | | | | 6.9 | 119.5 | 120.8 | -135 | -86.8 | 98 | 0 | 0 | 115.2 | | |
| 143 | R | 45.9 | Very low | 39.9 | Very low | 234 Ų | 234 | 152.6 Ų | 152.6 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | | | trans | -177.8 | 115.9 | 130.7 | -98.1 | 158.3 | 172.8 | -155 | -4.4 | 113.8 | | |
| 144 | K | 48.4 | Very low | 39.7 | Very low | 180 Ų | 180 | 151.2 Ų | 151.2 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | | | trans | -50.8 | 131.1 | 153.3 | 177.3 | 174.5 | 179.8 | 174.9 | 0 | 112.3 | | |
| 145 | K | 50.3 | Low | 39.4 | Very low | 196 Ų | 196 | 147.8 Ų | 147.8 | 85% | 0.852 | 79% | 0.794 | S | S | * | * | | | trans | -165.6 | 122.9 | 144.5 | -125.5 | 173.2 | -179.3 | 173.9 | 0 | 114.6 | | |
| 146 | D | 46.6 | Very low | 39.6 | Very low | 130 Ų | 130 | 149 Ų | 149 | 70% | 0.695 | 80% | 0.803 | S | S | * | * | | | trans | -41.2 | 146.2 | 151.9 | -70.9 | -106.9 | 0 | 0 | 0 | 114.7 | | |
| 147 | K | 48.4 | Very low | 39.7 | Very low | 193 Ų | 193 | 144.4 Ų | 144.4 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | | | | 175.5 | 99.6 | 115.2 | -99.4 | 164.3 | 167.8 | 178.2 | 0 | 113.2 | | |
| 148 | K | 42.5 | Very low | 40 | Very low | 181 Ų | 181 | 147.9 Ų | 147.9 | 79% | 0.787 | 80% | 0.8 | S | S | * | * | | | | 18.3 | 128 | 118.6 | -165 | 163.7 | -179.1 | 174 | 0 | 119 | | |
| 149 | L | 37.6 | Very low | 39.9 | Very low | 124 Ų | 124 | 147.6 Ų | 147.6 | 65% | 0.649 | 80% | 0.798 | S | S | * | * | | | trans | 83.1 | 129.2 | 141.1 | -82.8 | 175.5 | 0 | 0 | 0 | 122.1 | | |
| 150 | K | 37.8 | Very low | 39.8 | Very low | 176 Ų | 176 | 147.8 Ų | 147.8 | 77% | 0.765 | 80% | 0.799 | S | S | * | * | | | | 128.6 | 109.6 | 126 | -89.5 | 157.2 | 175 | -175 | 0 | 111.1 | | |
| 151 | K | 42 | Very low | 39.6 | Very low | 168 Ų | 168 | 141.9 Ų | 141.9 | 73% | 0.73 | 80% | 0.798 | S | S | * | * | | | | 82 | 117.3 | 79 | -85.9 | -164 | 158.5 | -156.1 | 0 | 112.2 | | |
| 152 | L | 36.5 | Very low | 39.5 | Very low | 149 Ų | 149 | 140.9 Ų | 140.9 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | | | trans | 61.9 | 119.4 | 133.5 | -50.4 | 168.3 | 0 | 0 | 0 | 118.4 | | |
| 153 | S | 37 | Very low | 39.1 | Very low | 102 Ų | 102 | 143.3 Ų | 143.3 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | | | | 177.2 | 113.5 | 125 | -133.6 | 0 | 0 | 0 | 0 | 109 | | |
| 154 | M | 36.4 | Very low | 38.8 | Very low | 187 Ų | 187 | 138 Ų | 138 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | | | | 86.9 | 126.3 | 98.1 | -80.5 | 179.7 | 64.7 | 0 | 0 | 114.7 | | |
| 155 | G | 33.7 | Very low | 38 | Very low | 80 Ų | 80 | 132.7 Ų | 132.7 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | | | trans | 172.3 | 77.3 | 168 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 156 | S | 38.7 | Very low | 37.4 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | | | trans | -59 | 163.4 | 160.3 | -59.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 157 | A | 36.4 | Very low | 37 | Very low | 88 Ų | 88 | 128 Ų | 128 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | | | cis | -157.7 | 173 | 31.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 158 | I | 38.6 | Very low | 36.3 | Very low | 167 Ų | 167 | 122.5 Ų | 122.5 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | | | | -176.7 | 137 | 74 | -73.7 | 164.9 | 0 | 0 | 0 | 108.9 | | |
| 159 | G | 32.1 | Very low | 36 | Very low | 80 Ų | 80 | 117.6 Ų | 117.6 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | | | trans | 67.4 | 136.4 | 146.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 160 | G | 31.2 | Very low | 36.3 | Very low | 83 Ų | 83 | 118.9 Ų | 118.9 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | | | cis | 166.5 | 158.8 | 6 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 161 | G | 32.1 | Very low | 36.8 | Very low | 87 Ų | 87 | 118.4 Ų | 118.4 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | | | trans | 112.9 | 107.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 162 | G | 34.8 | Very low | 36.9 | Very low | 72 Ų | 72 | 121 Ų | 121 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | | | trans | -114.7 | 160.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 163 | E | 34.7 | Very low | 37.1 | Very low | 205 Ų | 205 | 118.5 Ų | 118.5 | 96% | 0.958 | 81% | 0.811 | S | S | * | * | | | trans | -168.1 | 162.5 | 145.7 | 52.2 | -169.9 | 101.2 | 0 | 0 | 110.6 | | |
| 164 | S | 39.7 | Very low | 37.9 | Very low | 124 Ų | 124 | 123 Ų | 123 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | | | trans | -102.5 | 158.5 | -152.1 | -170.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 165 | G | 31.4 | Very low | 38.9 | Very low | 68 Ų | 68 | 121.7 Ų | 121.7 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | | | trans | 114.8 | 101.6 | 141 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 166 | S | 36.3 | Very low | 39.7 | Very low | 111 Ų | 111 | 126.2 Ų | 126.2 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | | | | 74.9 | 117.8 | 122.7 | -152.8 | 0 | 0 | 0 | 0 | 122.6 | | |
| 167 | S | 39.7 | Very low | 40.1 | Very low | 116 Ų | 116 | 131.3 Ų | 131.3 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | | | trans | 64.9 | 122.5 | 131.4 | 68.9 | 0 | 0 | 0 | 0 | 121.5 | | |
| 168 | G | 34.1 | Very low | 40.5 | Very low | 78 Ų | 78 | 131.9 Ų | 131.9 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | trans | 153.4 | 95.7 | 142.7 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 169 | G | 36.1 | Very low | 40.9 | Very low | 77 Ų | 77 | 133.4 Ų | 133.4 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | | | trans | 61 | 164.5 | 154.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 170 | E | 43.2 | Very low | 41.3 | Very low | 151 Ų | 151 | 137.1 Ų | 137.1 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | | | cis | -163.7 | 123.2 | -12.1 | -169.4 | 148.3 | 103.7 | 0 | 0 | 106.1 | | |
| 171 | K | 47.8 | Very low | 42.7 | Very low | 167 Ų | 167 | 137.9 Ų | 137.9 | 73% | 0.726 | 79% | 0.794 | S | S | * | * | | | trans | 42.2 | 101 | 140.8 | -52.3 | 161.6 | -160.3 | 153.4 | 0 | 119.1 | | |
| 172 | R | 45.1 | Very low | 43 | Very low | 222 Ų | 222 | 143 Ų | 143 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | | | | 38.1 | 125.6 | 119.1 | -170.7 | -173.8 | -126.8 | -147 | 6.4 | 118.9 | | |
| 173 | A | 40.9 | Very low | 43.5 | Very low | 97 Ų | 97 | 148 Ų | 148 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | | | trans | -149.8 | 115.4 | 135.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 174 | R | 53.3 | Low | 43.7 | Very low | 197 Ų | 197 | 143.1 Ų | 143.1 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | | | trans | -93.3 | 127.1 | 167.8 | 158.9 | -176.3 | 179.6 | 153.7 | -2.9 | 106.9 | | |
| 175 | I | 57.1 | Low | 44 | Very low | 158 Ų | 158 | 146.6 Ų | 146.6 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | | | trans | -137.4 | 112.4 | 163.8 | -51.6 | 177.6 | 0 | 0 | 0 | 109.6 | | |
| 176 | K | 50.1 | Low | 44.3 | Very low | 175 Ų | 175 | 148.3 Ų | 148.3 | 76% | 0.761 | 80% | 0.798 | S | S | * | * | | | trans | -100.9 | 149.5 | 152.9 | -71.4 | -171.4 | 175.6 | -175.1 | 0 | 107.1 | | |
| 177 | R | 47.8 | Very low | 44.7 | Very low | 235 Ų | 235 | 150.8 Ų | 150.8 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | | | trans | 168.8 | 119.4 | 146.8 | -94.6 | 161.7 | 154.2 | -148.1 | -11.6 | 108 | | |
| 178 | S | 43.5 | Very low | 44.8 | Very low | 100 Ų | 100 | 155 Ų | 155 | 70% | 0.699 | 81% | 0.805 | S | S | * | * | | | | 88.8 | 114 | 55.8 | 75.2 | 0 | 0 | 0 | 0 | 115 | | |
| 179 | K | 47.1 | Very low | 45 | Very low | 198 Ų | 198 | 160 Ų | 160 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | | | trans | 70.9 | 106.6 | 130.8 | -124.2 | 82.8 | 176 | -178 | 0 | 121.8 | | |
| 180 | N | 41 | Very low | 44.9 | Very low | 158 Ų | 158 | 163.2 Ų | 163.2 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | | | trans | 70.5 | 156.2 | 130.2 | -102.1 | 38 | 0 | 0 | 0 | 125.1 | | |
| 181 | P | 61.8 | Low | 44.3 | Very low | 100 Ų | 100 | 164.4 Ų | 164.4 | 65% | 0.649 | 81% | 0.806 | S | S | * | * | | | trans | -111.8 | 170.9 | -160 | 43.1 | -33.4 | 0 | 0 | 0 | 115.2 | | |
| 182 | K | 38.3 | Very low | 43.8 | Very low | 195 Ų | 195 | 161 Ų | 161 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | | | trans | 178.4 | 129.9 | 141.2 | -102.8 | 172.2 | -179.5 | -179 | 0 | 115 | | |
| 183 | Q | 44.6 | Very low | 43.4 | Very low | 175 Ų | 175 | 155.7 Ų | 155.7 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | 42.3 | 140.8 | 140.1 | -59.9 | -163.3 | 1.2 | 0 | 0 | 125.6 | | |
| 184 | A | 38 | Very low | 43 | Very low | 104 Ų | 104 | 155.4 Ų | 155.4 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | trans | -160 | 152.5 | 130.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 185 | K | 47.1 | Very low | 42 | Very low | 196 Ų | 196 | 151.6 Ų | 151.6 | 85% | 0.852 | 80% | 0.796 | S | S | * | * | | | trans | -104.4 | 156.1 | 179.8 | -63.1 | -179.7 | 176.9 | 178.6 | 0 | 111.5 | | |
| 186 | A | 38.3 | Very low | 41.2 | Very low | 105 Ų | 105 | 151.6 Ų | 151.6 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | | | trans | -172.1 | 143.2 | 140.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 187 | L | 44.1 | Very low | 40.4 | Very low | 162 Ų | 162 | 148.5 Ų | 148.5 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | | | trans | -76.5 | 159.3 | 176.5 | -90 | 76.2 | 0 | 0 | 0 | 113.7 | | |
| 188 | K | 41.4 | Very low | 40 | Very low | 205 Ų | 205 | 144.9 Ų | 144.9 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | | | | 171.1 | 116.8 | 116.3 | -86.6 | 162.6 | -167.8 | -171.6 | 0 | 114.4 | | |
| 189 | K | 37.8 | Very low | 39.7 | Very low | 182 Ų | 182 | 146.4 Ų | 146.4 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | trans | 28.6 | 135.9 | 135.9 | -97.9 | -172.4 | 158.9 | 174.2 | 0 | 123.9 | | |
| 190 | L | 35.4 | Very low | 39.1 | Very low | 145 Ų | 145 | 143.5 Ų | 143.5 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | | | trans | 71.4 | 149.1 | 139.5 | -59.3 | 173 | 0 | 0 | 0 | 116.8 | | |
| 191 | K | 29.5 | Very low | 39.4 | Very low | 176 Ų | 176 | 140.5 Ų | 140.5 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | | | cis | 176.8 | 129.6 | 4.1 | 151.2 | 69.8 | 173.1 | -167.4 | 0 | 107.2 | | |
| 192 | S | 37.9 | Very low | 38 | Very low | 96 Ų | 96 | 144.1 Ų | 144.1 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | | | trans | 54 | 154.5 | 161.6 | 45.6 | 0 | 0 | 0 | 0 | 119.1 | | |
| 193 | S | 35.5 | Very low | 37.9 | Very low | 110 Ų | 110 | 140.4 Ų | 140.4 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | | | cis | -171 | 134.8 | 38 | 21.1 | 0 | 0 | 0 | 0 | 107.9 | | |
| 194 | A | 33.7 | Very low | 37.2 | Very low | 91 Ų | 91 | 134.7 Ų | 134.7 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | | | | 79.2 | 119.6 | 82.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 195 | T | 32.1 | Very low | 36.8 | Very low | 117 Ų | 117 | 138.7 Ų | 138.7 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | | | | -178.5 | 112.7 | 127.7 | 33.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 196 | Q | 39.3 | Very low | 36 | Very low | 158 Ų | 158 | 133.8 Ų | 133.8 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | | | | 85.4 | 129.1 | 104.3 | -69.2 | 172.5 | -8.5 | 0 | 0 | 113.1 | | |
| 197 | S | 33.6 | Very low | 35.9 | Very low | 110 Ų | 110 | 137.5 Ų | 137.5 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | | | cis | -148.2 | 133.3 | 47.4 | -49 | 0 | 0 | 0 | 0 | 113 | | |
| 198 | E | 39.5 | Very low | 36.1 | Very low | 160 Ų | 160 | 135.4 Ų | 135.4 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | | | | 70.4 | 121.6 | 84.5 | -32.1 | -137.8 | 122.7 | 0 | 0 | 111.4 | | |
| 199 | T | 38.4 | Very low | 35.4 | Very low | 131 Ų | 131 | 129 Ų | 129 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | | | | -175.2 | 163.4 | 51.3 | 38.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 200 | D | 33.9 | Very low | 34.8 | Very low | 137 Ų | 137 | 127.8 Ų | 127.8 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | | | cis | -179.3 | 130.2 | -14.5 | 179.4 | 21.8 | 0 | 0 | 0 | 106.4 | | |
| 201 | S | 46.4 | Very low | 34.5 | Very low | 96 Ų | 96 | 130.5 Ų | 130.5 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | | | trans | 31.9 | 155.9 | 147.9 | -50.9 | 0 | 0 | 0 | 0 | 122.6 | | |
| 202 | E | 33.2 | Very low | 34.5 | Very low | 176 Ų | 176 | 128.8 Ų | 128.8 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | | | cis | -158.6 | 123.2 | 34.5 | -172.5 | -175.6 | 94.3 | 0 | 0 | 109.9 | | |
| 203 | T | 35.3 | Very low | 34 | Very low | 116 Ų | 116 | 129.6 Ų | 129.6 | 71% | 0.712 | 75% | 0.747 | S | S | * | * | | | | 67.7 | 134.3 | 85.2 | -25.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 204 | G | 31 | Very low | 33.7 | Very low | 55 Ų | 55 | 134.1 Ų | 134.1 | 57% | 0.567 | 75% | 0.747 | S | S | * | * | | | cis | -163.1 | 156.5 | 7.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 205 | H | 30.4 | Very low | 33.5 | Very low | 188 Ų | 188 | 135.1 Ų | 135.1 | 87% | 0.87 | 74% | 0.74 | S | S | * | * | | | | 64.2 | 133.8 | 93.9 | -71.8 | 93.3 | 0 | 0 | 0 | 113.9 | | |
| 206 | A | 29 | Very low | 33.4 | Very low | 93 Ų | 93 | 134.9 Ų | 134.9 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | | | cis | -165 | 163.6 | 1.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 207 | H | 37.3 | Very low | 33.2 | Very low | 183 Ų | 183 | 134 Ų | 134 | 85% | 0.847 | 73% | 0.734 | S | S | * | * | | | trans | -51.6 | 179.8 | 167.7 | -101 | -104.3 | 0 | 0 | 0 | 114.9 | | |
| 208 | P | 48.3 | Very low | 33.1 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | | | cis | -136 | 174.3 | -11.3 | 33.5 | -12.9 | 0 | 0 | 0 | 114.4 | | |
| 209 | G | 25 | Very low | 32.7 | Very low | 69 Ų | 69 | 130.3 Ų | 130.3 | 71% | 0.711 | 73% | 0.729 | S | S | * | * | | | trans | 143.2 | 121.4 | 156.4 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 210 | E | 26.9 | Very low | 32.5 | Very low | 157 Ų | 157 | 133.6 Ų | 133.6 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | | | trans | 36.1 | 127.5 | 141.1 | -59.5 | -157.3 | 99.1 | 0 | 0 | 123.3 | | |
| 211 | R | 29.2 | Very low | 32.3 | Very low | 203 Ų | 203 | 130.4 Ų | 130.4 | 77% | 0.766 | 73% | 0.734 | S | S | * | * | | | trans | 74.7 | 130.3 | 130.9 | -68.7 | 174.9 | -168.4 | -117.4 | 1.4 | 121.7 | | |
| 212 | L | 28.6 | Very low | 31.6 | Very low | 140 Ų | 140 | 132.4 Ų | 132.4 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | | | trans | 69.9 | 131.8 | 139.4 | -90.8 | 95.6 | 0 | 0 | 0 | 121.5 | | |
| 213 | V | 26.5 | Very low | 31.6 | Very low | 113 Ų | 113 | 129 Ų | 129 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | | | trans | 76.8 | 110.3 | 138.7 | 178.3 | 0 | 0 | 0 | 0 | 116 | | |
| 214 | R | 30.8 | Very low | 31.5 | Very low | 204 Ų | 204 | 128.9 Ų | 128.9 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | | | | 74.1 | 142.8 | 84.6 | -147.4 | -172.4 | 93.4 | -159.5 | 4.2 | 113.9 | | |
| 215 | D | 29.1 | Very low | 32.3 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 60% | 0.599 | 76% | 0.755 | S | S | * | * | | | trans | 75.4 | 139.3 | 164.4 | -98.9 | -132.4 | 0 | 0 | 0 | 114.7 | | |
| 216 | D | 28.8 | Very low | 32.2 | Very low | 113 Ų | 113 | 127.2 Ų | 127.2 | 60% | 0.604 | 75% | 0.751 | S | S | * | * | | | cis | -174.2 | 151.2 | 25.6 | -164.6 | -132.2 | 0 | 0 | 0 | 111.7 | | |
| 217 | L | 35.8 | Very low | 32.6 | Very low | 138 Ų | 138 | 130.3 Ų | 130.3 | 72% | 0.723 | 75% | 0.751 | S | S | * | * | | | trans | 34.8 | 140.1 | 147 | -61.8 | 166.6 | 0 | 0 | 0 | 121.5 | | |
| 218 | T | 32.5 | Very low | 32.7 | Very low | 141 Ų | 141 | 130.3 Ų | 130.3 | 87% | 0.865 | 75% | 0.752 | S | S | * | * | | | | 179.8 | 146.2 | 72.3 | -48.3 | 0 | 0 | 0 | 0 | 105.9 | | |
| 219 | G | 29.6 | Very low | 31.9 | Very low | 53 Ų | 53 | 128.8 Ų | 128.8 | 55% | 0.546 | 76% | 0.757 | S | S | . | * | | | cis | 162.5 | -170.8 | 11.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 220 | H | 34.6 | Very low | 32.4 | Very low | 200 Ų | 200 | 133.6 Ų | 133.6 | 93% | 0.926 | 77% | 0.766 | S | S | * | * | | | trans | 89.6 | 96.4 | -171 | -60.6 | -121.3 | 0 | 0 | 0 | 111.8 | | |
| 221 | G | 30.1 | Very low | 32.7 | Very low | 69 Ų | 69 | 130.4 Ų | 130.4 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | | | cis | 90.2 | 116.6 | 43.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 222 | V | 32.6 | Very low | 33 | Very low | 139 Ų | 139 | 129.3 Ų | 129.3 | 84% | 0.842 | 77% | 0.767 | S | S | * | * | | | | -175.1 | 135 | 64.4 | 159.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 223 | S | 33 | Very low | 33.6 | Very low | 103 Ų | 103 | 129 Ų | 129 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | | | trans | 63.8 | 105.7 | 144.9 | -55.3 | 0 | 0 | 0 | 0 | 126.8 | | |
| 224 | S | 32.9 | Very low | 33.9 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | | 36.9 | 168.4 | 101.9 | -68.7 | 0 | 0 | 0 | 0 | 124.1 | | |
| 225 | P | 47.5 | Very low | 34.1 | Very low | 132 Ų | 132 | 129 Ų | 129 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | | | cis | -144.4 | 179.4 | -26.8 | 36.2 | -15.5 | 0 | 0 | 0 | 116.9 | | |
| 226 | G | 28.8 | Very low | 34.5 | Very low | 76 Ų | 76 | 130.8 Ų | 130.8 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | | | trans | 124.6 | 146.5 | 146.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 227 | M | 37.4 | Very low | 34.9 | Very low | 157 Ų | 157 | 133.1 Ų | 133.1 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | | | cis | -171.8 | 131.5 | -9.7 | -165.2 | 160.1 | 69.9 | 0 | 0 | 107.8 | | |
| 228 | Q | 38 | Very low | 34.6 | Very low | 184 Ų | 184 | 131.8 Ų | 131.8 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | | | trans | 38.7 | 140.4 | 142 | -51 | 176.7 | 62.7 | 0 | 0 | 123.4 | | |
| 229 | G | 32.3 | Very low | 34.9 | Very low | 86 Ų | 86 | 130.2 Ų | 130.2 | 89% | 0.887 | 78% | 0.775 | S | S | * | * | | | trans | 166.3 | 129.7 | 151.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 230 | L | 36.3 | Very low | 35.9 | Very low | 171 Ų | 171 | 139.2 Ų | 139.2 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | | | trans | -128.3 | 154.8 | -161.2 | -154.5 | 157.9 | 0 | 0 | 0 | 110.2 | | |
| 231 | A | 32.4 | Very low | 36.5 | Very low | 90 Ų | 90 | 137.7 Ų | 137.7 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | | | trans | 78.7 | 156.1 | 160.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 232 | K | 36.4 | Very low | 37.3 | Very low | 179 Ų | 179 | 139 Ų | 139 | 78% | 0.778 | 79% | 0.79 | S | S | * | * | | | cis | 178.9 | 130.4 | -26 | -178.4 | 169.4 | 178.1 | -178.4 | 0 | 105.9 | | |
| 233 | I | 40.7 | Very low | 38.5 | Very low | 134 Ų | 134 | 141.3 Ų | 141.3 | 69% | 0.687 | 79% | 0.791 | S | S | * | * | | | trans | 55.7 | 125.1 | 152.5 | -59.2 | 169.1 | 0 | 0 | 0 | 120.4 | | |
| 234 | Q | 31.5 | Very low | 39.3 | Very low | 195 Ų | 195 | 145.2 Ų | 145.2 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | | | | -159.4 | 148.8 | 127.1 | -110 | 174.5 | 39.3 | 0 | 0 | 111.7 | | |
| 235 | V | 36 | Very low | 40.1 | Very low | 122 Ų | 122 | 145.5 Ų | 145.5 | 74% | 0.739 | 80% | 0.803 | S | S | * | * | | | trans | -117.2 | 156.3 | -168.5 | 140 | 0 | 0 | 0 | 0 | 108.3 | | |
| 236 | E | 37.5 | Very low | 40.1 | Very low | 150 Ų | 150 | 144.4 Ų | 144.4 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | | | trans | 110.5 | 145.8 | 157 | -87.8 | -52.3 | 123.1 | 0 | 0 | 121.1 | | |
| 237 | E | 37.9 | Very low | 41 | Very low | 162 Ų | 162 | 145.6 Ų | 145.6 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | | | trans | -64 | 156 | -146.5 | -80.5 | 173.2 | 70.3 | 0 | 0 | 121.1 | | |
| 238 | S | 28.3 | Very low | 41.9 | Very low | 110 Ų | 110 | 146.7 Ų | 146.7 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | | | | 172.1 | 120 | 107 | -165.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 239 | N | 38 | Very low | 42.8 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 58% | 0.578 | 79% | 0.791 | S | S | * | * | | | trans | 49.7 | 101.5 | 139.8 | -161.9 | -96.6 | 0 | 0 | 0 | 119.5 | E241 | N239-E241 PolarHBondContact ND2-OE1 3.04Š|
| 240 | R | 50.7 | Low | 43.8 | Very low | 242 Ų | 242 | 145.7 Ų | 145.7 | 91% | 0.913 | 79% | 0.789 | S | S | * | * | | | | -147.7 | 109 | 128.9 | -59.2 | -167.1 | -174.5 | 148.3 | 7.6 | 110 | A242 | R240-A242 PolarHBondContact O-N 2.9Š|
| 241 | E | 47.4 | Very low | 44.8 | Very low | 168 Ų | 168 | 143.3 Ų | 143.3 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | trans | -61.5 | 122.2 | 166.3 | -60 | 140.3 | -152.3 | 0 | 0 | 108.9 | N239 | N239-E241 PolarHBondContact ND2-OE1 3.04Š|
| 242 | A | 48.2 | Very low | 45.8 | Very low | 97 Ų | 97 | 150.7 Ų | 150.7 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | | | trans | -151.2 | 118.5 | 157.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | R240 | R240-A242 PolarHBondContact O-N 2.9Š|
| 243 | E | 56.7 | Low | 46.8 | Very low | 186 Ų | 186 | 149.5 Ų | 149.5 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | | | trans | -58.3 | 139.9 | -170.9 | -49.3 | -170.3 | 120.5 | 0 | 0 | 112.8 | | |
| 244 | M | 49.4 | Very low | 47.7 | Very low | 185 Ų | 185 | 146.7 Ų | 146.7 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | | | | 149.7 | 133.6 | 114.6 | 71.3 | -167.8 | 162.1 | 0 | 0 | 111.8 | | |
| 245 | S | 51.5 | Low | 49 | Very low | 122 Ų | 122 | 145 Ų | 145 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | | | trans | 91.2 | 71.9 | 162.7 | -153.4 | 0 | 0 | 0 | 0 | 118.1 | | |
| 246 | S | 46.1 | Very low | 50.2 | Low | 109 Ų | 109 | 147.2 Ų | 147.2 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | | | trans | -115.3 | 111.1 | 148.6 | -82.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 247 | S | 48.5 | Very low | 51.2 | Low | 100 Ų | 100 | 146.2 Ų | 146.2 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | | | trans | -152.2 | 75.2 | 141.9 | 65.5 | 0 | 0 | 0 | 0 | 107.5 | G249 | S247-G249 PolarHBondContact O-N 3.48Š|
| 248 | E | 55.4 | Low | 52.1 | Low | 181 Ų | 181 | 146 Ų | 146 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | | | trans | -55.7 | 113.4 | 150.8 | 56.9 | -156 | 104.6 | 0 | 0 | 108.5 | | |
| 249 | G | 58.4 | Low | 53.8 | Low | 71 Ų | 71 | 148.1 Ų | 148.1 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | | | trans | 178.4 | -3.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | S247 | S247-G249 PolarHBondContact O-N 3.48Š|
| 250 | E | 51.6 | Low | 54.9 | Low | 178 Ų | 178 | 148.4 Ų | 148.4 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | trans | -140.5 | 74.4 | -171.7 | -75.9 | 166.5 | 137.2 | 0 | 0 | 112.3 | | |
| 251 | T | 57.8 | Low | 55.3 | Low | 121 Ų | 121 | 145.4 Ų | 145.4 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | | | trans | -145.7 | 14 | 164 | 60.9 | 0 | 0 | 0 | 0 | 115.2 | | |
| 252 | W | 52.8 | Low | 55.7 | Low | 245 Ų | 245 | 143.6 Ų | 143.6 | 93% | 0.928 | 80% | 0.796 | S | S | * | * | | | trans | -118.1 | 29.8 | -179 | -56.3 | 111.7 | 0 | 0 | 0 | 114.6 | A254 | W252-A254 VanDerWaalsContact C-N 3.27Å; W252-A254 PolarHBondContact O-N 3.43Å; W252-A254 VanDerWaalsContact O-N 3.08Å |
| 253 | I | 58.5 | Low | 56.4 | Low | 153 Ų | 153 | 142.2 Ų | 142.2 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | | | trans | -76.7 | 98 | 155.7 | -55.8 | 175.3 | 0 | 0 | 0 | 104.9 | D255 | I253-D255 PolarHBondContact O-N 3.42Š|
| 254 | A | 59.4 | Low | 56.4 | Low | 76 Ų | 76 | 137.8 Ų | 137.8 | 63% | 0.628 | 77% | 0.774 | S | S | * | * | | | trans | -55.6 | 98.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | W252 E256 | W252-A254 VanDerWaalsContact C-N 3.27Å; W252-A254 PolarHBondContact O-N 3.43Å; W252-A254 VanDerWaalsContact O-N 3.08Å; A254-E256 PolarHBondContact O-N 3.08Å |
| 255 | D | 58.4 | Low | 56.8 | Low | 158 Ų | 158 | 135.3 Ų | 135.3 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | | | trans | -68.3 | 24.6 | 163.2 | -78.6 | -54.5 | 0 | 0 | 0 | 112 | I253 | I253-D255 PolarHBondContact O-N 3.42Š|
| 256 | E | 62.3 | Low | 57.5 | Low | 170 Ų | 170 | 133.7 Ų | 133.7 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | | | trans | -108.7 | 18.8 | -173 | -69.5 | -157.1 | 127.7 | 0 | 0 | 113.8 | A254 | A254-E256 PolarHBondContact O-N 3.08Š|
| 257 | D | 56.9 | Low | 58.1 | Low | 128 Ų | 128 | 137.9 Ų | 137.9 | 68% | 0.684 | 75% | 0.752 | S | S | * | * | | | trans | -148.2 | 39.5 | 175.4 | -83.5 | -42.2 | 0 | 0 | 0 | 114.6 | M259 | D257-M259 VanDerWaalsContact C-N 3.26Š|
| 258 | I | 57.8 | Low | 58.9 | Low | 158 Ų | 158 | 137.9 Ų | 137.9 | 81% | 0.81 | 74% | 0.744 | S | S | * | * | | | trans | -99.7 | 66.2 | 145.4 | -47.2 | -178.9 | 0 | 0 | 0 | 106.5 | V260 | I258-V260 HydrophobicContact CG2-CG2 3.9Å; I258-V260 PolarHBondContact O-N 3.18Å |
| 259 | M | 63.1 | Low | 59.8 | Low | 154 Ų | 154 | 135 Ų | 135 | 76% | 0.759 | 73% | 0.734 | S | S | * | * | | | trans | -61.3 | 82.8 | 159.1 | -74.1 | -162.9 | -79 | 0 | 0 | 106.9 | D257 E261 | D257-M259 VanDerWaalsContact C-N 3.26Å; M259-E261 PolarHBondContact O-N 3.46Å |
| 260 | V | 62.5 | Low | 60.6 | Low | 115 Ų | 115 | 136.3 Ų | 136.3 | 70% | 0.697 | 72% | 0.723 | S | S | * | * | | | trans | -57 | 101.6 | 159.3 | 171.2 | 0 | 0 | 0 | 0 | 103.9 | I258 S262 | I258-V260 HydrophobicContact CG2-CG2 3.9Å; I258-V260 PolarHBondContact O-N 3.18Å; V260-S262 PolarHBondContact O-N 2.82Å |
| 261 | E | 57.8 | Low | 62 | Low | 178 Ų | 178 | 130.7 Ų | 130.7 | 83% | 0.832 | 70% | 0.701 | S | S | * | * | | | trans | -44.2 | 118.3 | 169.7 | -80.6 | 175.7 | 137.6 | 0 | 0 | 107.2 | M259 G263 | M259-E261 PolarHBondContact O-N 3.46Å; E261-G263 PolarHBondContact O-N 3.39Å |
| 262 | S | 57.4 | Low | 63.6 | Low | 130 Ų | 130 | 125.1 Ų | 125.1 | 91% | 0.909 | 67% | 0.667 | S | S | * | * | | | trans | -60.1 | 74.6 | 170.2 | -42.6 | 0 | 0 | 0 | 0 | 108.6 | V260 | V260-S262 PolarHBondContact O-N 2.82Š|
| 263 | G | 62.3 | Low | 65.5 | Low | 68 Ų | 68 | 119.8 Ų | 119.8 | 70% | 0.701 | 65% | 0.648 | S | S | * | * | | | trans | -121 | 42 | -160.3 | 0 | 0 | 0 | 0 | 0 | 113 | E261 | E261-G263 PolarHBondContact O-N 3.39Š|
| 264 | D | 56 | Low | 67 | Low | 94 Ų | 94 | 114.7 Ų | 114.7 | 50% | 0.503 | 63% | 0.625 | S | S | . | * | | | trans | -140.6 | 29 | 179 | 85.6 | -24.8 | 0 | 0 | 0 | 116.7 | S266 W267 | D264-S266 PolarHBondContact O-N 3.37Å; D264-W267 PolarHBondContact O-N 2.92Å |
| 265 | D | 59 | Low | 68.4 | Low | 132 Ų | 132 | 113.3 Ų | 113.3 | 71% | 0.706 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -2.8 | 159 | -88.6 | -27.6 | 0 | 0 | 0 | 113 | W267 L269 | D265-W267 VanDerWaalsContact C-N 3.26Å; D265-W267 PolarHBondContact O-N 3.49Å; D265-L269 WeakPolarHBondContact O-CD1 3.38Å; D265-L269 PolarHBondContact O-N 2.86Å |
| 266 | S | 64.7 | Low | 69.7 | Low | 88 Ų | 88 | 111.7 Ų | 111.7 | 62% | 0.615 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -29.9 | 174.8 | -176.1 | 0 | 0 | 0 | 0 | 113 | D264 | D264-S266 PolarHBondContact O-N 3.37Š|
| 267 | W | 60.1 | Low | 70.8 | Confident | 198 Ų | 198 | 106 Ų | 106 | 75% | 0.75 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -84.2 | -22.1 | -175.2 | -60.1 | -0.4 | 0 | 0 | 0 | 113 | D264 D265 | D264-W267 PolarHBondContact O-N 2.92Å; D265-W267 VanDerWaalsContact C-N 3.26Å; D265-W267 PolarHBondContact O-N 3.49Å |
| 268 | D | 64.3 | Low | 72.1 | Confident | 100 Ų | 100 | 105 Ų | 105 | 54% | 0.535 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -94.9 | 1.2 | 174.6 | -84.6 | -26.4 | 0 | 0 | 0 | 113.7 | I270 | D268-I270 PolarHBondContact O-N 2.9Š|
| 269 | L | 73.9 | Confident | 73.4 | Confident | 120 Ų | 120 | 101.1 Ų | 101.1 | 63% | 0.628 | 56% | 0.563 | S | S | * | * | | | trans | -58.4 | 106.8 | 177.1 | -125 | 82.3 | 0 | 0 | 0 | 110.6 | D265 T271 | D265-L269 WeakPolarHBondContact O-CD1 3.38Å; D265-L269 PolarHBondContact O-N 2.86Å; L269-T271 PolarHBondContact O-N 3.18Å |
| 270 | I | 75.1 | Confident | 74.6 | Confident | 99 Ų | 99 | 96.6 Ų | 96.6 | 51% | 0.508 | 56% | 0.556 | S | S | . | * | | | trans | -65.6 | 108 | -175.8 | -63.8 | 156.9 | 0 | 0 | 0 | 109.4 | D268 G275 P277 | D268-I270 PolarHBondContact O-N 2.9Å; I270-G275 WeakPolarHBondContact CD1-O 3.1Å; I270-G275 VanDerWaalsContact CG2-C 3.48Å; I270-P277 HydrophobicContact CG1-CB 4.34Å |
| 271 | T | 82.1 | Confident | 75.9 | Confident | 59 Ų | 59 | 94.9 Ų | 94.9 | 36% | 0.362 | 54% | 0.537 | S | S | . | . | | | trans | -104.5 | -24.3 | 179.6 | 43.9 | 0 | 0 | 0 | 0 | 112.6 | L269 V291 W292 | L269-T271 PolarHBondContact O-N 3.18Å; T271-V291 WeakPolarHBondContact O-CG2 3.41Å; T271-W292 CarbonylContact C-O 3.21Å; T271-W292 WeakPolarHBondContact OG1-CB 3.4Å |
| 272 | C | 92 | Very high | 77.6 | Confident | 4 Ų | 4 | 88.4 Ų | 88.4 | 3% | 0.027 | 51% | 0.51 | C | S | . | . | S | Bend | trans | -80.3 | 140.1 | 178.8 | -171.7 | 0 | 0 | 0 | 0 | 111.7 | C274 G275 M283 W292 H294 | C272-C274 PolarHBondContact O-N 3.45Å; C272-C274 VanDerWaalsContact SG-SG 3.65Å; C272-G275 PolarHBondContact O-N 2.69Å; C272-M283 HydrophobicContact CB-CE 3.94Å; C272-W292 WeakPolarHBondContact CA-O 3.43Å; C272-W292 PolarHBondContact N-O 3.45Å; C272-H294 PolarHBondContact SG-N 3.48Å; C272-H294 VanDerWaalsContact SG-N 3.45Å |
| 273 | Y | 91.3 | Very high | 79.4 | Confident | 133 Ų | 133 | 83.9 Ų | 83.9 | 52% | 0.522 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -4.4 | 177.5 | 60.3 | -103.7 | 0 | 0 | 0 | 115.5 | G275 V293 C297 | Y273-G275 VanDerWaalsContact C-N 3.26Å; Y273-V293 HydrophobicContact CD1-CG1 4.14Å; Y273-V293 HydrophobicContact CD1-CG2 4.32Å; Y273-V293 HydrophobicContact CE1-CG1 3.44Å; Y273-V293 VanDerWaalsContact CE1-CG1 3.44Å; Y273-V293 HydrophobicContact CE1-CG2 4.24Å; Y273-C297 HydrophobicContact CE1-CB 4.4Å; Y273-C297 HydrophobicContact CE2-CB 4.02Å; Y273-C297 WeakPolarHBondContact OH-CB 3.2Å; Y273-C297 PolarHBondContact OH-O 3.43Å |
| 274 | C | 91.1 | Very high | 80.9 | Confident | 47 Ų | 47 | 81.3 Ų | 81.3 | 32% | 0.318 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -4 | 174.9 | 72.5 | 0 | 0 | 0 | 0 | 112.8 | C272 K276 H294 | C272-C274 PolarHBondContact O-N 3.45Å; C272-C274 VanDerWaalsContact SG-SG 3.65Å; C274-K276 PolarHBondContact O-N 2.82Å; C274-H294 PolarHBondContact SG-ND1 3.04Å |
| 275 | G | 87.6 | Confident | 82.8 | Confident | 47 Ų | 47 | 81.3 Ų | 81.3 | 49% | 0.485 | 44% | 0.442 | S | S | . | . | S | Bend | trans | 75.1 | 0.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | I270 C272 Y273 | I270-G275 WeakPolarHBondContact CD1-O 3.1Å; I270-G275 VanDerWaalsContact CG2-C 3.48Å; C272-G275 PolarHBondContact O-N 2.69Å; Y273-G275 VanDerWaalsContact C-N 3.26Å |
| 276 | K | 87.1 | Confident | 84.6 | Confident | 124 Ų | 124 | 75 Ų | 75 | 54% | 0.539 | 41% | 0.409 | S | S | . | . | | | trans | -93.7 | 140.3 | -179.3 | -58 | -174.6 | 179.7 | -169.6 | 0 | 110 | C274 H294 | C274-K276 PolarHBondContact O-N 2.82Å; K276-H294 PolarHBondContact O-CE1 3.18Å |
| 277 | P | 84.6 | Confident | 86 | Confident | 50 Ų | 50 | 75.5 Ų | 75.5 | 33% | 0.325 | 40% | 0.404 | S | S | . | . | | | trans | -66.6 | -177.7 | 174.5 | 30.1 | -35.7 | 0 | 0 | 0 | 111 | I270 A279 H294 | I270-P277 HydrophobicContact CG1-CB 4.34Å; P277-A279 PolarHBondContact O-N 2.86Å; P277-H294 PolarHBondContact O-CE1 3.02Å; P277-H294 PolarHBondContact O-NE2 3.45Å |
| 278 | F | 83.6 | Confident | 87.7 | Confident | 106 Ų | 106 | 70.7 Ų | 70.7 | 47% | 0.465 | 39% | 0.39 | S | S | . | . | | | trans | -55.4 | -49.5 | -179.2 | 175.6 | -120.2 | 0 | 0 | 0 | 111.9 | G280 R281 M283 | F278-G280 PolarHBondContact O-N 2.9Å; F278-R281 WeakPolarHBondContact CD2-O 3.45Å; F278-R281 WeakPolarHBondContact CE2-O 3.31Å; F278-R281 WeakPolarHBondContact O-CB 3.41Å; F278-R281 PolarHBondContact O-N 3.47Å; F278-M283 HydrophobicContact CB-SD 4.49Å; F278-M283 HydrophobicContact CD2-CG 3.96Å; F278-M283 HydrophobicContact CD2-SD 3.63Å; F278-M283 HydrophobicContact CE2-CG 4.26Å; F278-M283 HydrophobicContact CE2-SD 4.42Å |
| 279 | A | 86 | Confident | 89.1 | Confident | 78 Ų | 78 | 69.3 Ų | 69.3 | 65% | 0.645 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.9 | 30.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | P277 R281 | P277-A279 PolarHBondContact O-N 2.86Å; A279-R281 PolarHBondContact O-N 2.81Å |
| 280 | G | 87.5 | Confident | 90 | Very high | 59 Ų | 59 | 65.1 Ų | 65.1 | 61% | 0.608 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | 11.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | F278 | F278-G280 PolarHBondContact O-N 2.9Š|
| 281 | R | 90.6 | Very high | 90.8 | Very high | 79 Ų | 79 | 62.5 Ų | 62.5 | 30% | 0.298 | 36% | 0.362 | S | S | . | . | | | trans | -87.2 | 138.4 | -178.4 | -63.7 | 172.6 | 72.1 | -157.2 | 2.6 | 109.8 | F278 A279 M283 S296 | F278-R281 WeakPolarHBondContact CD2-O 3.45Å; F278-R281 WeakPolarHBondContact CE2-O 3.31Å; F278-R281 WeakPolarHBondContact O-CB 3.41Å; F278-R281 PolarHBondContact O-N 3.47Å; A279-R281 PolarHBondContact O-N 2.81Å; R281-M283 WeakPolarHBondContact O-CG 3.37Å; R281-M283 PolarHBondContact O-N 3.34Å; R281-S296 PolarHBondContact NH2-OG 3.18Å |
| 282 | P | 93.4 | Very high | 91.4 | Very high | 41 Ų | 41 | 65 Ų | 65 | 27% | 0.266 | 37% | 0.365 | S | S | . | . | | | trans | -60.7 | 134.6 | -179.3 | 31.5 | -41.3 | 0 | 0 | 0 | 110.8 | H294 L295 K302 | P282-H294 CarbonylContact O-C 3.57Å; P282-H294 VanDerWaalsContact O-CA 3.31Å; P282-H294 WeakPolarHBondContact O-CA 3.42Å; P282-L295 HydrophobicContact CB-CB 4.47Å; P282-L295 HydrophobicContact CB-CD1 4.19Å; P282-L295 HydrophobicContact CB-CD2 4.04Å; P282-L295 HydrophobicContact CB-CG 4.47Å; P282-L295 HydrophobicContact CG-CB 4.1Å; P282-L295 HydrophobicContact CG-CD2 4.28Å; P282-L295 PolarHBondContact O-N 2.7Å; P282-K302 HydrophobicContact CG-CD 4.01Å; P282-K302 VanDerWaalsContact CG-CE 3.4Å; P282-K302 HydrophobicContact CG-CG 4.39Å |
| 283 | M | 94.3 | Very high | 91.6 | Very high | 36 Ų | 36 | 64.8 Ų | 64.8 | 18% | 0.177 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 158.7 | 178.1 | -59.5 | -173.5 | 84.9 | 0 | 0 | 111.4 | C272 F278 R281 W292 V293 L295 | C272-M283 HydrophobicContact CB-CE 3.94Å; F278-M283 HydrophobicContact CB-SD 4.49Å; F278-M283 HydrophobicContact CD2-CG 3.96Å; F278-M283 HydrophobicContact CD2-SD 3.63Å; F278-M283 HydrophobicContact CE2-CG 4.26Å; F278-M283 HydrophobicContact CE2-SD 4.42Å; R281-M283 WeakPolarHBondContact O-CG 3.37Å; R281-M283 PolarHBondContact O-N 3.34Å; M283-W292 HydrophobicContact CB-CE3 3.71Å; M283-W292 HydrophobicContact CB-CZ3 4.37Å; M283-W292 HydrophobicContact CE-CB 3.61Å; M283-W292 WeakPolarHBondContact CE-O 3.43Å; M283-W292 HydrophobicContact SD-CB 4.3Å; M283-V293 CarbonylContact C-O 3.51Å; M283-V293 VanDerWaalsContact CA-O 3.27Å; M283-V293 WeakPolarHBondContact CA-O 3.44Å; M283-L295 VanDerWaalsContact C-CD1 3.46Å |
| 284 | I | 95.2 | Very high | 91.7 | Very high | 14 Ų | 14 | 58.5 Ų | 58.5 | 7% | 0.072 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 138.7 | 174.9 | -173.2 | 167 | 0 | 0 | 0 | 109.2 | W292 V293 L295 A298 I300 V305 P306 F309 | I284-W292 WeakPolarHBondContact O-CA 3.43Å; I284-V293 WeakPolarHBondContact CG2-O 3.27Å; I284-V293 PolarHBondContact N-O 2.95Å; I284-V293 PolarHBondContact O-N 2.92Å; I284-L295 HydrophobicContact CB-CD1 3.79Å; I284-L295 HydrophobicContact CG2-CD1 4Å; I284-A298 HydrophobicContact CG2-CB 4.21Å; I284-I300 HydrophobicContact CD1-CD1 3.94Å; I284-I300 HydrophobicContact CG2-CD1 4.29Å; I284-V305 HydrophobicContact CD1-CG1 3.85Å; I284-P306 HydrophobicContact CD1-CG 4.23Å; I284-F309 HydrophobicContact CB-CD1 4.44Å; I284-F309 HydrophobicContact CD1-CB 3.4Å; I284-F309 VanDerWaalsContact CD1-CB 3.4Å; I284-F309 HydrophobicContact CD1-CD1 4.22Å; I284-F309 HydrophobicContact CD1-CD2 4.32Å; I284-F309 HydrophobicContact CD1-CG 3.74Å; I284-F309 HydrophobicContact CG1-CB 3.85Å; I284-F309 HydrophobicContact CG1-CD1 3.99Å; I284-F309 HydrophobicContact CG1-CG 4.02Å; I284-F309 HydrophobicContact CG2-CD1 3.74Å; I284-F309 HydrophobicContact CG2-CE1 3.79Å; I284-F309 HydrophobicContact CG2-CG 4.14Å; I284-F309 HydrophobicContact CG2-CZ 4.23Å |
| 285 | E | 95.2 | Very high | 91.9 | Very high | 93 Ų | 93 | 56.7 Ų | 56.7 | 44% | 0.435 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 136.8 | 179.2 | -170.1 | -175.7 | 170.3 | 0 | 0 | 111.7 | W292 | E285-W292 HydrophobicContact CB-CD2 4.12Å; E285-W292 HydrophobicContact CB-CE3 4.35Å; E285-W292 HydrophobicContact CB-CH2 4.33Å; E285-W292 HydrophobicContact CB-CZ2 4.06Å; E285-W292 HydrophobicContact CB-CZ3 4.47Å; E285-W292 HydrophobicContact CG-CZ2 4.39Å |
| 286 | C | 95.7 | Very high | 92.3 | Very high | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.007 | 33% | 0.326 | C | S | . | . | | | trans | -76.7 | 122.5 | 172.3 | -178.7 | 0 | 0 | 0 | 0 | 111.4 | Q288 C289 G290 V291 F309 C311 | C286-Q288 PolarHBondContact O-N 2.91Å; C286-C289 PolarHBondContact O-N 3.09Å; C286-G290 WeakPolarHBondContact O-CA 3.48Å; C286-G290 PolarHBondContact O-N 3.19Å; C286-V291 HydrophobicContact CB-CG1 3.73Å; C286-V291 WeakPolarHBondContact CB-O 3.33Å; C286-V291 PolarHBondContact N-O 3.25Å; C286-F309 HydrophobicContact CB-CD1 4.5Å; C286-C311 HydrophobicContact CB-CB 4.02Å; C286-C311 PolarHBondContact SG-N 3.43Å |
| 287 | N | 96 | Very high | 92.6 | Very high | 97 Ų | 97 | 53 Ų | 53 | 52% | 0.519 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -10.9 | 180 | -84.4 | -107.7 | 0 | 0 | 0 | 114.8 | I308 F309 Y310 | N287-I308 HydrophobicContact CB-CG2 4.36Å; N287-F309 PolarHBondContact N-O 3.22Å; N287-F309 PolarHBondContact ND2-N 3.42Å; N287-Y310 HydrophobicContact CB-CD1 4.41Å; N287-Y310 HydrophobicContact CB-CE1 4Å |
| 288 | Q | 95.1 | Very high | 93.1 | Very high | 98 Ų | 98 | 51.8 Ų | 51.8 | 46% | 0.458 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | -30.6 | -178.7 | -178 | 153.3 | 19.2 | 0 | 0 | 114.1 | C286 Y310 C314 R318 | C286-Q288 PolarHBondContact O-N 2.91Å; Q288-Y310 HydrophobicContact CB-CD1 3.92Å; Q288-Y310 HydrophobicContact CB-CE1 4.16Å; Q288-C314 HydrophobicContact CB-CB 4.12Å; Q288-C314 HydrophobicContact CG-CB 4.32Å; Q288-R318 VanDerWaalsContact CD-NH2 3.28Å; Q288-R318 VanDerWaalsContact OE1-CZ 3.28Å |
| 289 | C | 94.1 | Very high | 93.6 | Very high | 70 Ų | 70 | 56 Ų | 56 | 47% | 0.473 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.8 | 9.7 | -175.3 | 71 | 0 | 0 | 0 | 0 | 113.5 | C286 V291 C311 C314 | C286-C289 PolarHBondContact O-N 3.09Å; C289-V291 PolarHBondContact O-N 3.41Å; C289-V291 WeakPolarHBondContact SG-CG1 3.46Å; C289-C311 VanDerWaalsContact SG-SG 3.68Å; C289-C314 VanDerWaalsContact SG-SG 3.66Å |
| 290 | G | 92.8 | Very high | 94 | Very high | 33 Ų | 33 | 53.7 Ų | 53.7 | 34% | 0.34 | 30% | 0.297 | S | S | . | . | | | trans | 64.8 | 2.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | C286 W292 | C286-G290 WeakPolarHBondContact O-CA 3.48Å; C286-G290 PolarHBondContact O-N 3.19Å; G290-W292 PolarHBondContact O-N 3.45Å |
| 291 | V | 92.6 | Very high | 94.3 | Very high | 43 Ų | 43 | 58.5 Ų | 58.5 | 26% | 0.261 | 30% | 0.301 | S | S | . | . | | | trans | -72.5 | 131.4 | -175.9 | 75.8 | 0 | 0 | 0 | 0 | 110.6 | T271 C286 C289 V293 C311 | T271-V291 WeakPolarHBondContact O-CG2 3.41Å; C286-V291 HydrophobicContact CB-CG1 3.73Å; C286-V291 WeakPolarHBondContact CB-O 3.33Å; C286-V291 PolarHBondContact N-O 3.25Å; C289-V291 PolarHBondContact O-N 3.41Å; C289-V291 WeakPolarHBondContact SG-CG1 3.46Å; V291-V293 HydrophobicContact CG1-CG2 4.08Å; V291-C311 HydrophobicContact CG1-CB 3.79Å |
| 292 | W | 94.1 | Very high | 94.4 | Very high | 112 Ų | 112 | 62.2 Ų | 62.2 | 42% | 0.424 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 130.3 | 175.5 | -70.8 | 79.9 | 0 | 0 | 0 | 110.8 | T271 C272 M283 I284 E285 G290 | T271-W292 CarbonylContact C-O 3.21Å; T271-W292 WeakPolarHBondContact OG1-CB 3.4Å; C272-W292 WeakPolarHBondContact CA-O 3.43Å; C272-W292 PolarHBondContact N-O 3.45Å; M283-W292 HydrophobicContact CB-CE3 3.71Å; M283-W292 HydrophobicContact CB-CZ3 4.37Å; M283-W292 HydrophobicContact CE-CB 3.61Å; M283-W292 WeakPolarHBondContact CE-O 3.43Å; M283-W292 HydrophobicContact SD-CB 4.3Å; I284-W292 WeakPolarHBondContact O-CA 3.43Å; E285-W292 HydrophobicContact CB-CD2 4.12Å; E285-W292 HydrophobicContact CB-CE3 4.35Å; E285-W292 HydrophobicContact CB-CH2 4.33Å; E285-W292 HydrophobicContact CB-CZ2 4.06Å; E285-W292 HydrophobicContact CB-CZ3 4.47Å; E285-W292 HydrophobicContact CG-CZ2 4.39Å; G290-W292 PolarHBondContact O-N 3.45Å |
| 293 | V | 94.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 135.6 | -176.2 | -177.3 | 0 | 0 | 0 | 0 | 109 | Y273 M283 I284 V291 L295 C297 A298 F309 C311 | Y273-V293 HydrophobicContact CD1-CG1 4.14Å; Y273-V293 HydrophobicContact CD1-CG2 4.32Å; Y273-V293 HydrophobicContact CE1-CG1 3.44Å; Y273-V293 VanDerWaalsContact CE1-CG1 3.44Å; Y273-V293 HydrophobicContact CE1-CG2 4.24Å; M283-V293 CarbonylContact C-O 3.51Å; M283-V293 VanDerWaalsContact CA-O 3.27Å; M283-V293 WeakPolarHBondContact CA-O 3.44Å; I284-V293 WeakPolarHBondContact CG2-O 3.27Å; I284-V293 PolarHBondContact N-O 2.95Å; I284-V293 PolarHBondContact O-N 2.92Å; V291-V293 HydrophobicContact CG1-CG2 4.08Å; V293-L295 PolarHBondContact O-N 3.13Å; V293-C297 HydrophobicContact CG1-CB 3.91Å; V293-A298 HydrophobicContact CG1-CB 3.97Å; V293-F309 HydrophobicContact CB-CE1 4.21Å; V293-F309 HydrophobicContact CB-CZ 4.48Å; V293-F309 HydrophobicContact CG2-CE1 4.16Å; V293-C311 HydrophobicContact CG2-CB 4.42Å |
| 294 | H | 94.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 141 | 173.3 | -57.3 | 115.7 | 0 | 0 | 0 | 110.8 | C272 C274 K276 P277 P282 S296 C297 A298 | C272-H294 PolarHBondContact SG-N 3.48Å; C272-H294 VanDerWaalsContact SG-N 3.45Å; C274-H294 PolarHBondContact SG-ND1 3.04Å; K276-H294 PolarHBondContact O-CE1 3.18Å; P277-H294 PolarHBondContact O-CE1 3.02Å; P277-H294 PolarHBondContact O-NE2 3.45Å; P282-H294 CarbonylContact O-C 3.57Å; P282-H294 VanDerWaalsContact O-CA 3.31Å; P282-H294 WeakPolarHBondContact O-CA 3.42Å; H294-S296 PolarHBondContact O-N 2.88Å; H294-C297 HydrophobicContact CB-CB 4.17Å; H294-C297 CarbonylContact O-C 3.6Å; H294-C297 WeakPolarHBondContact O-CA 3.43Å; H294-C297 WeakPolarHBondContact O-CB 2.97Å; H294-C297 PolarHBondContact O-N 3.46Å; H294-A298 PolarHBondContact O-N 3.31Å |
| 295 | L | 95.3 | Very high | 94.4 | Very high | 9 Ų | 9 | 71.4 Ų | 71.4 | 5% | 0.047 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -55.1 | -38.9 | 177.9 | -94.2 | 60.5 | 0 | 0 | 0 | 112.4 | P282 M283 I284 V293 C297 A298 K299 I300 K302 V305 | P282-L295 HydrophobicContact CB-CB 4.47Å; P282-L295 HydrophobicContact CB-CD1 4.19Å; P282-L295 HydrophobicContact CB-CD2 4.04Å; P282-L295 HydrophobicContact CB-CG 4.47Å; P282-L295 HydrophobicContact CG-CB 4.1Å; P282-L295 HydrophobicContact CG-CD2 4.28Å; P282-L295 PolarHBondContact O-N 2.7Å; M283-L295 VanDerWaalsContact C-CD1 3.46Å; I284-L295 HydrophobicContact CB-CD1 3.79Å; I284-L295 HydrophobicContact CG2-CD1 4Å; V293-L295 PolarHBondContact O-N 3.13Å; L295-C297 VanDerWaalsContact C-N 3.32Å; L295-C297 PolarHBondContact O-N 2.81Å; L295-A298 CarbonylContact O-C 3.51Å; L295-A298 PolarHBondContact O-N 3.43Å; L295-K299 PolarHBondContact O-N 3.26Å; L295-I300 HydrophobicContact CD2-CG2 4.44Å; L295-I300 HydrophobicContact CG-CB 4.22Å; L295-I300 HydrophobicContact CG-CG2 4.15Å; L295-I300 PolarHBondContact O-N 2.87Å; L295-K302 HydrophobicContact CD2-CG 3.96Å; L295-V305 HydrophobicContact CD2-CG2 3.74Å |
| 296 | S | 94.8 | Very high | 94.4 | Very high | 71 Ų | 71 | 69.8 Ų | 69.8 | 50% | 0.497 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.2 | -35.8 | 175.6 | 55.2 | 0 | 0 | 0 | 0 | 112.8 | R281 H294 K299 | R281-S296 PolarHBondContact NH2-OG 3.18Å; H294-S296 PolarHBondContact O-N 2.88Å; S296-K299 PolarHBondContact O-N 2.98Å |
| 297 | C | 94.6 | Very high | 94.3 | Very high | 24 Ų | 24 | 77.4 Ų | 77.4 | 16% | 0.162 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -71.8 | -46.3 | 176.3 | -65 | 0 | 0 | 0 | 0 | 109.5 | Y273 V293 H294 L295 K299 | Y273-C297 HydrophobicContact CE1-CB 4.4Å; Y273-C297 HydrophobicContact CE2-CB 4.02Å; Y273-C297 WeakPolarHBondContact OH-CB 3.2Å; Y273-C297 PolarHBondContact OH-O 3.43Å; V293-C297 HydrophobicContact CG1-CB 3.91Å; H294-C297 HydrophobicContact CB-CB 4.17Å; H294-C297 CarbonylContact O-C 3.6Å; H294-C297 WeakPolarHBondContact O-CA 3.43Å; H294-C297 WeakPolarHBondContact O-CB 2.97Å; H294-C297 PolarHBondContact O-N 3.46Å; L295-C297 VanDerWaalsContact C-N 3.32Å; L295-C297 PolarHBondContact O-N 2.81Å; C297-K299 PolarHBondContact O-N 3.17Å; C297-K299 VanDerWaalsContact O-N 3.07Å |
| 298 | A | 94.2 | Very high | 94.3 | Very high | 23 Ų | 23 | 77.8 Ų | 77.8 | 19% | 0.19 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -65.4 | -8.1 | 174 | 0 | 0 | 0 | 0 | 0 | 114.3 | I284 V293 H294 L295 I300 F309 | I284-A298 HydrophobicContact CG2-CB 4.21Å; V293-A298 HydrophobicContact CG1-CB 3.97Å; H294-A298 PolarHBondContact O-N 3.31Å; L295-A298 CarbonylContact O-C 3.51Å; L295-A298 PolarHBondContact O-N 3.43Å; A298-I300 VanDerWaalsContact C-N 3.25Å; A298-I300 HydrophobicContact CB-CD1 3.78Å; A298-I300 HydrophobicContact CB-CG1 4.03Å; A298-I300 PolarHBondContact O-N 3.36Å; A298-F309 HydrophobicContact CB-CE2 3.74Å; A298-F309 HydrophobicContact CB-CZ 3.61Å |
| 299 | K | 94.4 | Very high | 94.4 | Very high | 196 Ų | 196 | 74.2 Ų | 74.2 | 85% | 0.852 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 36.9 | -174 | -55.6 | -179.3 | -179 | -179.8 | 0 | 112.7 | L295 S296 C297 | L295-K299 PolarHBondContact O-N 3.26Å; S296-K299 PolarHBondContact O-N 2.98Å; C297-K299 PolarHBondContact O-N 3.17Å; C297-K299 VanDerWaalsContact O-N 3.07Å |
| 300 | I | 93.9 | Very high | 94.5 | Very high | 29 Ų | 29 | 75.2 Ų | 75.2 | 15% | 0.149 | 39% | 0.393 | C | S | . | . | | | trans | -102.8 | 131.4 | 177.6 | -66.7 | 169.8 | 0 | 0 | 0 | 108.6 | I284 L295 A298 V305 P306 F309 | I284-I300 HydrophobicContact CD1-CD1 3.94Å; I284-I300 HydrophobicContact CG2-CD1 4.29Å; L295-I300 HydrophobicContact CD2-CG2 4.44Å; L295-I300 HydrophobicContact CG-CB 4.22Å; L295-I300 HydrophobicContact CG-CG2 4.15Å; L295-I300 PolarHBondContact O-N 2.87Å; A298-I300 VanDerWaalsContact C-N 3.25Å; A298-I300 HydrophobicContact CB-CD1 3.78Å; A298-I300 HydrophobicContact CB-CG1 4.03Å; A298-I300 PolarHBondContact O-N 3.36Å; I300-V305 HydrophobicContact CG2-CG2 4.4Å; I300-P306 HydrophobicContact CD1-CG 4.02Å; I300-F309 HydrophobicContact CD1-CD2 3.55Å; I300-F309 HydrophobicContact CD1-CE2 3.74Å; I300-F309 HydrophobicContact CD1-CG 4.34Å |
| 301 | K | 94.5 | Very high | 94.5 | Very high | 160 Ų | 160 | 74 Ų | 74 | 70% | 0.696 | 38% | 0.379 | S | S | * | . | | | trans | -77.9 | 138.8 | 175.4 | -65.4 | -178.1 | -178.7 | 179 | 0 | 109.2 | S303 N304 | K301-S303 PolarHBondContact O-N 3.38Å; K301-S303 VanDerWaalsContact O-N 3.07Å; K301-N304 CarbonylContact O-C 3.4Å; K301-N304 PolarHBondContact O-N 3.32Å |
| 302 | K | 92.8 | Very high | 94.5 | Very high | 156 Ų | 156 | 77.1 Ų | 77.1 | 68% | 0.678 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -25.3 | 175.8 | -114.2 | 155.8 | 159.6 | 170.4 | 0 | 113.8 | P282 L295 | P282-K302 HydrophobicContact CG-CD 4.01Å; P282-K302 VanDerWaalsContact CG-CE 3.4Å; P282-K302 HydrophobicContact CG-CG 4.39Å; L295-K302 HydrophobicContact CD2-CG 3.96Å |
| 303 | S | 93.8 | Very high | 94.3 | Very high | 92 Ų | 92 | 79.4 Ų | 79.4 | 64% | 0.643 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -19.8 | 178.1 | 67 | 0 | 0 | 0 | 0 | 114.4 | K301 | K301-S303 PolarHBondContact O-N 3.38Å; K301-S303 VanDerWaalsContact O-N 3.07Å |
| 304 | N | 93.1 | Very high | 94.3 | Very high | 123 Ų | 123 | 80 Ų | 80 | 66% | 0.658 | 41% | 0.408 | S | S | * | . | | | trans | -141.6 | 71.3 | -172.7 | -69.5 | -68.3 | 0 | 0 | 0 | 109 | K301 | K301-N304 CarbonylContact O-C 3.4Å; K301-N304 PolarHBondContact O-N 3.32Å |
| 305 | V | 95.9 | Very high | 94.1 | Very high | 70 Ų | 70 | 86.5 Ų | 86.5 | 42% | 0.424 | 43% | 0.432 | S | S | . | . | | | trans | -85.5 | 119.8 | 176.8 | -172.4 | 0 | 0 | 0 | 0 | 108 | I284 L295 I300 | I284-V305 HydrophobicContact CD1-CG1 3.85Å; L295-V305 HydrophobicContact CD2-CG2 3.74Å; I300-V305 HydrophobicContact CG2-CG2 4.4Å |
| 306 | P | 95.4 | Very high | 93.7 | Very high | 58 Ų | 58 | 89.1 Ų | 89.1 | 38% | 0.377 | 45% | 0.447 | S | S | . | . | | | trans | -73.9 | 144.7 | 179.4 | 30.6 | -33.8 | 0 | 0 | 0 | 111.1 | I284 I300 I308 | I284-P306 HydrophobicContact CD1-CG 4.23Å; I300-P306 HydrophobicContact CD1-CG 4.02Å; P306-I308 VanDerWaalsContact C-N 3.28Å; P306-I308 PolarHBondContact O-N 3.48Å |
| 307 | D | 94.1 | Very high | 93.3 | Very high | 162 Ų | 162 | 90.5 Ų | 90.5 | 87% | 0.866 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -65 | -34.3 | 175.1 | -62.9 | -23.4 | 0 | 0 | 0 | 112.1 | | |
| 308 | I | 95.7 | Very high | 92.5 | Very high | 104 Ų | 104 | 95.7 Ų | 95.7 | 53% | 0.533 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -113.7 | 119.4 | 178.9 | -55 | 177.2 | 0 | 0 | 0 | 109.2 | N287 P306 Y310 | N287-I308 HydrophobicContact CB-CG2 4.36Å; P306-I308 VanDerWaalsContact C-N 3.28Å; P306-I308 PolarHBondContact O-N 3.48Å; I308-Y310 HydrophobicContact CG2-CD2 4.47Å; I308-Y310 HydrophobicContact CG2-CE2 3.7Å |
| 309 | F | 96.1 | Very high | 91.7 | Very high | 24 Ų | 24 | 102.7 Ų | 102.7 | 11% | 0.105 | 49% | 0.49 | C | S | . | . | | | trans | -127.3 | 138 | 178.2 | 172.4 | -107.3 | 0 | 0 | 0 | 112 | I284 C286 N287 V293 A298 I300 C311 | I284-F309 HydrophobicContact CB-CD1 4.44Å; I284-F309 HydrophobicContact CD1-CB 3.4Å; I284-F309 VanDerWaalsContact CD1-CB 3.4Å; I284-F309 HydrophobicContact CD1-CD1 4.22Å; I284-F309 HydrophobicContact CD1-CD2 4.32Å; I284-F309 HydrophobicContact CD1-CG 3.74Å; I284-F309 HydrophobicContact CG1-CB 3.85Å; I284-F309 HydrophobicContact CG1-CD1 3.99Å; I284-F309 HydrophobicContact CG1-CG 4.02Å; I284-F309 HydrophobicContact CG2-CD1 3.74Å; I284-F309 HydrophobicContact CG2-CE1 3.79Å; I284-F309 HydrophobicContact CG2-CG 4.14Å; I284-F309 HydrophobicContact CG2-CZ 4.23Å; C286-F309 HydrophobicContact CB-CD1 4.5Å; N287-F309 PolarHBondContact N-O 3.22Å; N287-F309 PolarHBondContact ND2-N 3.42Å; V293-F309 HydrophobicContact CB-CE1 4.21Å; V293-F309 HydrophobicContact CB-CZ 4.48Å; V293-F309 HydrophobicContact CG2-CE1 4.16Å; A298-F309 HydrophobicContact CB-CE2 3.74Å; A298-F309 HydrophobicContact CB-CZ 3.61Å; I300-F309 HydrophobicContact CD1-CD2 3.55Å; I300-F309 HydrophobicContact CD1-CE2 3.74Å; I300-F309 HydrophobicContact CD1-CG 4.34Å; F309-C311 HydrophobicContact CE1-CB 4.36Å |
| 310 | Y | 95.8 | Very high | 90.4 | Very high | 91 Ų | 91 | 97.1 Ų | 97.1 | 36% | 0.357 | 48% | 0.475 | S | S | . | . | | | trans | -120.8 | 126.8 | 172.2 | -59 | -70.6 | 0 | 0 | 0 | 109.7 | N287 Q288 I308 | N287-Y310 HydrophobicContact CB-CD1 4.41Å; N287-Y310 HydrophobicContact CB-CE1 4Å; Q288-Y310 HydrophobicContact CB-CD1 3.92Å; Q288-Y310 HydrophobicContact CB-CE1 4.16Å; I308-Y310 HydrophobicContact CG2-CD2 4.47Å; I308-Y310 HydrophobicContact CG2-CE2 3.7Å |
| 311 | C | 94.1 | Very high | 88.9 | Confident | 6 Ų | 6 | 98.3 Ų | 98.3 | 4% | 0.041 | 50% | 0.495 | C | S | . | . | | | trans | -63.2 | 165.3 | 177.8 | 77.8 | 0 | 0 | 0 | 0 | 111.4 | C286 C289 V291 V293 F309 K313 C314 R315 | C286-C311 HydrophobicContact CB-CB 4.02Å; C286-C311 PolarHBondContact SG-N 3.43Å; C289-C311 VanDerWaalsContact SG-SG 3.68Å; V291-C311 HydrophobicContact CG1-CB 3.79Å; V293-C311 HydrophobicContact CG2-CB 4.42Å; F309-C311 HydrophobicContact CE1-CB 4.36Å; C311-K313 VanDerWaalsContact C-N 3.27Å; C311-K313 PolarHBondContact O-N 3.05Å; C311-C314 PolarHBondContact O-N 3.04Å; C311-C314 PolarHBondContact SG-N 3.37Å; C311-R315 WeakPolarHBondContact O-CB 3.41Å; C311-R315 PolarHBondContact O-N 2.87Å |
| 312 | H | 91.6 | Very high | 87.2 | Confident | 110 Ų | 110 | 99.2 Ų | 99.2 | 51% | 0.509 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -54.4 | -43.6 | -178.2 | -175.8 | 24.9 | 0 | 0 | 0 | 112.4 | R315 D316 | H312-R315 PolarHBondContact O-N 3.13Å; H312-D316 IonicContact CD2-OD2 2.81Å; H312-D316 VanDerWaalsContact CE1-CG 3.48Å; H312-D316 IonicContact CE1-OD1 3.97Å; H312-D316 PolarHBondContact CE1-OD1 2.75Å; H312-D316 IonicContact CE1-OD2 3.23Å; H312-D316 PolarHBondContact CE1-OD2 3.38Å; H312-D316 IonicContact CG-OD2 2.9Å; H312-D316 IonicContact ND1-OD1 3.67Å; H312-D316 PolarHBondContact ND1-OD1 2.67Å; H312-D316 IonicContact ND1-OD2 3.53Å; H312-D316 PolarHBondContact ND1-OD2 3.33Å; H312-D316 IonicContact NE2-OD2 3.4Å; H312-D316 PolarHBondContact O-N 2.9Å |
| 313 | K | 90.9 | Very high | 85.7 | Confident | 159 Ų | 159 | 100.9 Ų | 100.9 | 69% | 0.691 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60 | -51.3 | 178.5 | -64 | 176.7 | -176.3 | -83.3 | 0 | 111.6 | C311 R315 D316 T317 | C311-K313 VanDerWaalsContact C-N 3.27Å; C311-K313 PolarHBondContact O-N 3.05Å; K313-R315 VanDerWaalsContact C-N 3.32Å; K313-R315 PolarHBondContact O-N 3.17Å; K313-D316 PolarHBondContact O-N 3.32Å; K313-T317 PolarHBondContact O-N 2.86Å; K313-T317 VanDerWaalsContact O-N 3.16Å; K313-T317 PolarHBondContact O-OG1 3.13Å; K313-T317 VanDerWaalsContact O-OG1 3.04Å |
| 314 | C | 93.5 | Very high | 83.9 | Confident | 13 Ų | 13 | 104.9 Ų | 104.9 | 9% | 0.088 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -66.4 | -33.6 | 179.5 | -64.4 | 0 | 0 | 0 | 0 | 112.8 | Q288 C289 C311 R318 | Q288-C314 HydrophobicContact CB-CB 4.12Å; Q288-C314 HydrophobicContact CG-CB 4.32Å; C289-C314 VanDerWaalsContact SG-SG 3.66Å; C311-C314 PolarHBondContact O-N 3.04Å; C311-C314 PolarHBondContact SG-N 3.37Å; C314-R318 WeakPolarHBondContact O-CG 3.44Å; C314-R318 PolarHBondContact O-N 3.31Å |
| 315 | R | 90.8 | Very high | 82 | Confident | 136 Ų | 136 | 106.6 Ų | 106.6 | 51% | 0.513 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.1 | -38.9 | 177.1 | -164.1 | 176.7 | 77.8 | -173.4 | 4.1 | 111.9 | C311 H312 K313 R318 R319 | C311-R315 WeakPolarHBondContact O-CB 3.41Å; C311-R315 PolarHBondContact O-N 2.87Å; H312-R315 PolarHBondContact O-N 3.13Å; K313-R315 VanDerWaalsContact C-N 3.32Å; K313-R315 PolarHBondContact O-N 3.17Å; R315-R318 PolarHBondContact O-N 3.31Å; R315-R319 WeakPolarHBondContact O-CG 3.36Å; R315-R319 PolarHBondContact O-N 2.91Å |
| 316 | D | 87.5 | Confident | 80.5 | Confident | 65 Ų | 65 | 112.7 Ų | 112.7 | 35% | 0.348 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -72 | -39 | -179.2 | -62.9 | -19 | 0 | 0 | 0 | 111.8 | H312 K313 R318 R319 S320 | H312-D316 IonicContact CD2-OD2 2.81Å; H312-D316 VanDerWaalsContact CE1-CG 3.48Å; H312-D316 IonicContact CE1-OD1 3.97Å; H312-D316 PolarHBondContact CE1-OD1 2.75Å; H312-D316 IonicContact CE1-OD2 3.23Å; H312-D316 PolarHBondContact CE1-OD2 3.38Å; H312-D316 IonicContact CG-OD2 2.9Å; H312-D316 IonicContact ND1-OD1 3.67Å; H312-D316 PolarHBondContact ND1-OD1 2.67Å; H312-D316 IonicContact ND1-OD2 3.53Å; H312-D316 PolarHBondContact ND1-OD2 3.33Å; H312-D316 IonicContact NE2-OD2 3.4Å; H312-D316 PolarHBondContact O-N 2.9Å; K313-D316 PolarHBondContact O-N 3.32Å; D316-R318 VanDerWaalsContact C-N 3.28Å; D316-R318 PolarHBondContact O-N 3.24Å; D316-R319 PolarHBondContact O-N 2.97Å; D316-S320 PolarHBondContact O-N 3.08Å; D316-S320 PolarHBondContact O-OG 2.99Å |
| 317 | T | 86.4 | Confident | 79.8 | Confident | 100 Ų | 100 | 115.4 Ų | 115.4 | 61% | 0.613 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -59.1 | -38.1 | 174 | -52.9 | 0 | 0 | 0 | 0 | 112.3 | K313 S320 G321 | K313-T317 PolarHBondContact O-N 2.86Å; K313-T317 VanDerWaalsContact O-N 3.16Å; K313-T317 PolarHBondContact O-OG1 3.13Å; K313-T317 VanDerWaalsContact O-OG1 3.04Å; T317-S320 PolarHBondContact O-OG 3.32Å; T317-S320 VanDerWaalsContact O-OG 3.08Å; T317-G321 PolarHBondContact O-N 3.47Å |
| 318 | R | 78.3 | Confident | 79 | Confident | 132 Ų | 132 | 112.9 Ų | 112.9 | 50% | 0.498 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -72.1 | -35.8 | 176.5 | -69.3 | -175.2 | -173.1 | -105.8 | 6.1 | 112.6 | Q288 C314 R315 D316 | Q288-R318 VanDerWaalsContact CD-NH2 3.28Å; Q288-R318 VanDerWaalsContact OE1-CZ 3.28Å; C314-R318 WeakPolarHBondContact O-CG 3.44Å; C314-R318 PolarHBondContact O-N 3.31Å; R315-R318 PolarHBondContact O-N 3.31Å; D316-R318 VanDerWaalsContact C-N 3.28Å; D316-R318 PolarHBondContact O-N 3.24Å |
| 319 | R | 76.6 | Confident | 78.1 | Confident | 170 Ų | 170 | 113.4 Ų | 113.4 | 64% | 0.642 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -74.5 | -32 | 179 | -74.9 | -176.3 | 179.5 | -80.4 | 0.4 | 113.1 | R315 D316 | R315-R319 WeakPolarHBondContact O-CG 3.36Å; R315-R319 PolarHBondContact O-N 2.91Å; D316-R319 PolarHBondContact O-N 2.97Å |
| 320 | S | 68.7 | Low | 77 | Confident | 79 Ų | 79 | 118.7 Ų | 118.7 | 55% | 0.552 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -72.6 | -30.3 | 177.1 | 62.7 | 0 | 0 | 0 | 0 | 112.7 | D316 T317 | D316-S320 PolarHBondContact O-N 3.08Å; D316-S320 PolarHBondContact O-OG 2.99Å; T317-S320 PolarHBondContact O-OG 3.32Å; T317-S320 VanDerWaalsContact O-OG 3.08Å |
| 321 | G | 61 | Low | 75.8 | Confident | 54 Ų | 54 | 120.4 Ų | 120.4 | 56% | 0.557 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69.2 | -27.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | T317 K323 | T317-G321 PolarHBondContact O-N 3.47Å; G321-K323 VanDerWaalsContact C-N 3.34Å; G321-K323 PolarHBondContact O-N 2.88Å |
| 322 | Q | 60 | Low | 74.6 | Confident | 180 Ų | 180 | 128.1 Ų | 128.1 | 84% | 0.841 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | 1.1 | -179.7 | -72.6 | -158.3 | -41.7 | 0 | 0 | 114.9 | | |
| 323 | K | 59.7 | Low | 73.4 | Confident | 191 Ų | 191 | 129.4 Ų | 129.4 | 83% | 0.83 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | 11.9 | 177.7 | -79.4 | -170.9 | 174.2 | -177.8 | 0 | 114.3 | G321 | G321-K323 VanDerWaalsContact C-N 3.34Å; G321-K323 PolarHBondContact O-N 2.88Å |
| 324 | K | 55.8 | Low | 72.1 | Confident | 175 Ų | 175 | 127.1 Ų | 127.1 | 76% | 0.761 | 64% | 0.644 | S | S | * | * | | | trans | -113 | 89.8 | 172.3 | -76.4 | -174.6 | 175.2 | -177 | 0 | 109.4 | | |
| 325 | D | 54.5 | Low | 70.3 | Confident | 160 Ų | 160 | 136.6 Ų | 136.6 | 86% | 0.856 | 69% | 0.691 | S | S | * | * | | | trans | -167.4 | 114.3 | 131.9 | -96.3 | -46.8 | 0 | 0 | 0 | 108.5 | | |
| 326 | P | 64.3 | Low | 68.4 | Low | 197 Ų | 197 | 136.6 Ų | 136.6 | 100% | 1.279 | 71% | 0.707 | S | S | * | * | | | trans | -78 | 0 | 171.5 | 32 | -33.2 | 0 | 0 | 0 | 113.8 | | |