| 1 | M | 52.2 | Low | 59.6 | Low | 246 Ų | 246 | 144.2 Ų | 144.2 | 100% | 1.212 | 75% | 0.746 | S | S | * | * | | | | 0 | 108.2 | 0 | -62.5 | -174.7 | -65.6 | 0 | 0 | 105.2 | | |
| 2 | G | 60 | Low | 59.3 | Low | 56 Ų | 56 | 148.1 Ų | 148.1 | 58% | 0.577 | 76% | 0.758 | S | S | * | * | | | trans | -86.6 | 154.3 | -164.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E4 | G2-E4 PolarHBondContact O-N 3.01Š|
| 3 | L | 60.8 | Low | 59.3 | Low | 152 Ų | 152 | 145.5 Ų | 145.5 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -71.2 | 29.6 | -175.9 | -60.8 | 164.6 | 0 | 0 | 0 | 113.7 | D5 | L3-D5 PolarHBondContact O-N 3.38Š|
| 4 | E | 63.5 | Low | 59.5 | Low | 168 Ų | 168 | 139.6 Ų | 139.6 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -76.1 | -14.7 | -171.2 | -61.7 | 175.6 | 162.1 | 0 | 0 | 112.3 | G2 E6 | G2-E4 PolarHBondContact O-N 3.01Å; E4-E6 VanDerWaalsContact C-N 3.34Å; E4-E6 PolarHBondContact O-N 3.49Å |
| 5 | D | 64.1 | Low | 59.8 | Low | 120 Ų | 120 | 139.5 Ų | 139.5 | 64% | 0.642 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -78.9 | -11.1 | -179.4 | -92.9 | -57.7 | 0 | 0 | 0 | 114.8 | L3 K8 | L3-D5 PolarHBondContact O-N 3.38Å; D5-K8 PolarHBondContact O-NZ 2.89Å; D5-K8 IonicContact OD1-NZ 3.03Å; D5-K8 PolarHBondContact OD1-NZ 2.81Å |
| 6 | E | 58.9 | Low | 59.9 | Low | 146 Ų | 146 | 137.9 Ų | 137.9 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -93.9 | -14.8 | -175.1 | -136.1 | 167.6 | 105 | 0 | 0 | 113.3 | E4 | E4-E6 VanDerWaalsContact C-N 3.34Å; E4-E6 PolarHBondContact O-N 3.49Å |
| 7 | Q | 57.7 | Low | 59.8 | Low | 146 Ų | 146 | 139.6 Ų | 139.6 | 68% | 0.682 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -81.4 | -16 | -179.5 | -70.4 | -127.4 | 17.1 | 0 | 0 | 114.4 | M9 L10 | Q7-M9 PolarHBondContact O-N 2.74Å; Q7-L10 PolarHBondContact O-N 3.34Å |
| 8 | K | 58.7 | Low | 59.8 | Low | 138 Ų | 138 | 142.4 Ų | 142.4 | 60% | 0.6 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -74 | -7.3 | 179.5 | 67.3 | 178.7 | -179.6 | -76.3 | 0 | 114.5 | D5 | D5-K8 PolarHBondContact O-NZ 2.89Å; D5-K8 IonicContact OD1-NZ 3.03Å; D5-K8 PolarHBondContact OD1-NZ 2.81Å |
| 9 | M | 58.6 | Low | 59.6 | Low | 156 Ų | 156 | 144.7 Ų | 144.7 | 77% | 0.768 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -93.4 | 0.3 | 177.3 | -59.6 | -144.8 | -58.5 | 0 | 0 | 113.6 | Q7 | Q7-M9 PolarHBondContact O-N 2.74Š|
| 10 | L | 61.1 | Low | 59.5 | Low | 140 Ų | 140 | 147.4 Ų | 147.4 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -106.1 | 6.3 | -173.6 | -62.6 | 177.9 | 0 | 0 | 0 | 114.1 | Q7 | Q7-L10 PolarHBondContact O-N 3.34Š|
| 11 | T | 60.2 | Low | 59.3 | Low | 118 Ų | 118 | 149.2 Ų | 149.2 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | | | trans | -128 | 36.8 | -176.5 | 64.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 12 | E | 56.3 | Low | 59.6 | Low | 191 Ų | 191 | 145.5 Ų | 145.5 | 89% | 0.893 | 76% | 0.758 | S | S | * | * | | | trans | -113.4 | 70.6 | 157.3 | -163.7 | 171.4 | 118.5 | 0 | 0 | 108.2 | G14 | E12-G14 VanDerWaalsContact C-N 3.33Å; E12-G14 PolarHBondContact O-N 3.25Å; E12-G14 VanDerWaalsContact O-N 3.17Å |
| 13 | S | 59.4 | Low | 59.4 | Low | 115 Ų | 115 | 150.9 Ų | 150.9 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | | | trans | -73.9 | 90.3 | 163.2 | 52.3 | 0 | 0 | 0 | 0 | 107.9 | | |
| 14 | G | 61.7 | Low | 59.1 | Low | 62 Ų | 62 | 151.5 Ų | 151.5 | 64% | 0.639 | 77% | 0.767 | S | S | * | * | | | trans | -74.5 | 130.1 | 159.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | E12 P16 | E12-G14 VanDerWaalsContact C-N 3.33Å; E12-G14 PolarHBondContact O-N 3.25Å; E12-G14 VanDerWaalsContact O-N 3.17Å; G14-P16 WeakPolarHBondContact O-CD 2.97Å |
| 15 | D | 63.7 | Low | 58.7 | Low | 138 Ų | 138 | 150.1 Ų | 150.1 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | | | trans | -62.1 | 119.8 | 177.6 | -153.5 | -4.8 | 0 | 0 | 0 | 110.2 | E17 | D15-E17 VanDerWaalsContact C-N 3.3Å; D15-E17 VanDerWaalsContact O-N 3.16Å; D15-E17 PolarHBondContact O-N 2.77Å |
| 16 | P | 61.3 | Low | 58.4 | Low | 115 Ų | 115 | 150 Ų | 150 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | | | trans | -87.6 | 66.4 | 177.4 | 36 | -32.9 | 0 | 0 | 0 | 110.2 | G14 | G14-P16 WeakPolarHBondContact O-CD 2.97Š|
| 17 | E | 58.9 | Low | 58.4 | Low | 166 Ų | 166 | 147.1 Ų | 147.1 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | | | trans | -106.8 | -0.2 | 173 | -82.2 | -139.3 | 132.5 | 0 | 0 | 114.1 | D15 | D15-E17 VanDerWaalsContact C-N 3.3Å; D15-E17 VanDerWaalsContact O-N 3.16Å; D15-E17 PolarHBondContact O-N 2.77Å |
| 18 | E | 58.6 | Low | 58.5 | Low | 191 Ų | 191 | 144.9 Ų | 144.9 | 89% | 0.893 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -130.2 | 42.5 | -174.3 | -67.6 | -93.2 | 149.1 | 0 | 0 | 112.5 | | |
| 19 | E | 57.3 | Low | 58.4 | Low | 186 Ų | 186 | 147 Ų | 147 | 87% | 0.869 | 75% | 0.752 | S | S | * | * | | | trans | -131.2 | 21.7 | 177.6 | -98.9 | -160.2 | 167.9 | 0 | 0 | 115 | | |
| 20 | E | 57.2 | Low | 58.5 | Low | 198 Ų | 198 | 144.1 Ų | 144.1 | 93% | 0.925 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -115.3 | 7.7 | 179.3 | -76.2 | -156 | 156 | 0 | 0 | 116.5 | | |
| 21 | E | 55.6 | Low | 58.5 | Low | 186 Ų | 186 | 143.3 Ų | 143.3 | 87% | 0.869 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -105.4 | 0.3 | 179.6 | -80.2 | -164.4 | 161 | 0 | 0 | 116.4 | | |
| 22 | E | 57.2 | Low | 58.5 | Low | 167 Ų | 167 | 142.3 Ų | 142.3 | 78% | 0.78 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -89.3 | -16.9 | -177.7 | -80.5 | -157.5 | 139.3 | 0 | 0 | 115.7 | | |
| 23 | E | 56 | Low | 58.4 | Low | 169 Ų | 169 | 135 Ų | 135 | 79% | 0.79 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -73.6 | -33.2 | -175 | -69.4 | -141.2 | 137.2 | 0 | 0 | 113.3 | V27 | E23-V27 WeakPolarHBondContact O-CG2 3.44Å |
| 24 | E | 56.3 | Low | 58.1 | Low | 166 Ų | 166 | 133.2 Ų | 133.2 | 78% | 0.776 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -75.1 | -34.2 | -177.5 | -62.3 | -154.9 | 139.2 | 0 | 0 | 113 | L26 V27 V28 | E24-L26 VanDerWaalsContact C-N 3.34Å; E24-L26 PolarHBondContact O-N 3.22Å; E24-V27 PolarHBondContact O-N 2.84Å; E24-V28 WeakPolarHBondContact O-CG2 3.31Å; E24-V28 PolarHBondContact O-N 3.44Å |
| 25 | E | 53.8 | Low | 58 | Low | 139 Ų | 139 | 135.4 Ų | 135.4 | 65% | 0.65 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -66.8 | -37.1 | 178.7 | -168.3 | -177.8 | 152.1 | 0 | 0 | 111.5 | V27 V28 R29 | E25-V27 VanDerWaalsContact C-N 3.34Å; E25-V27 PolarHBondContact O-N 3.46Å; E25-V28 PolarHBondContact O-N 3.28Å; E25-R29 VanDerWaalsContact O-CB 3.25Å; E25-R29 PolarHBondContact O-N 3.18Å; E25-R29 WeakPolarHBondContact O-CB 3.32Å |
| 26 | L | 57.3 | Low | 57.6 | Low | 116 Ų | 116 | 135.1 Ų | 135.1 | 61% | 0.607 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -68.9 | -34.5 | -178 | -141.6 | 147.2 | 0 | 0 | 0 | 111.6 | E24 T30 | E24-L26 VanDerWaalsContact C-N 3.34Å; E24-L26 PolarHBondContact O-N 3.22Å; L26-T30 HydrophobicContact CD2-CG2 4.34Å; L26-T30 WeakPolarHBondContact O-CB 3.25Å; L26-T30 WeakPolarHBondContact O-CG2 3.27Å; L26-T30 PolarHBondContact O-N 3.03Å; L26-T30 PolarHBondContact O-OG1 3.28Å |
| 27 | V | 58.8 | Low | 57.6 | Low | 87 Ų | 87 | 135.2 Ų | 135.2 | 53% | 0.527 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -70.7 | -44.1 | 175.1 | 179.3 | 0 | 0 | 0 | 0 | 111 | E23 E24 E25 R29 T30 V31 | E23-V27 WeakPolarHBondContact O-CG2 3.44Å; E24-V27 PolarHBondContact O-N 2.84Å; E25-V27 VanDerWaalsContact C-N 3.34Å; E25-V27 PolarHBondContact O-N 3.46Å; V27-R29 VanDerWaalsContact C-N 3.31Å; V27-R29 PolarHBondContact O-N 3.42Å; V27-T30 PolarHBondContact O-OG1 2.87Å; V27-T30 PolarHBondContact O-N 3.07Å; V27-T30 WeakPolarHBondContact CA-OG1 3.45Å; V27-T30 VanDerWaalsContact CA-OG1 3.32Å; V27-V31 HydrophobicContact CG1-CG2 4.27Å; V27-V31 WeakPolarHBondContact O-CB 3.39Å; V27-V31 WeakPolarHBondContact O-CG2 3.36Å; V27-V31 PolarHBondContact O-N 3.44Å |
| 28 | V | 59.7 | Low | 57.8 | Low | 99 Ų | 99 | 130.3 Ų | 130.3 | 60% | 0.6 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -63.9 | -39.3 | 176.5 | 177.2 | 0 | 0 | 0 | 0 | 111 | E24 E25 V31 S32 | E24-V28 WeakPolarHBondContact O-CG2 3.31Å; E24-V28 PolarHBondContact O-N 3.44Å; E25-V28 PolarHBondContact O-N 3.28Å; V28-V31 PolarHBondContact O-N 3.44Å; V28-S32 VanDerWaalsContact O-CB 3.29Å; V28-S32 WeakPolarHBondContact O-CB 3.46Å; V28-S32 PolarHBondContact O-N 3.03Å; V28-S32 PolarHBondContact O-OG 3.17Å |
| 29 | R | 57.5 | Low | 57.9 | Low | 182 Ų | 182 | 126.3 Ų | 126.3 | 69% | 0.687 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -69 | -34.2 | 177.8 | -173.4 | 174.6 | 177.2 | 169.5 | -1.1 | 113.3 | E25 V27 G33 | E25-R29 VanDerWaalsContact O-CB 3.25Å; E25-R29 PolarHBondContact O-N 3.18Å; E25-R29 WeakPolarHBondContact O-CB 3.32Å; V27-R29 VanDerWaalsContact C-N 3.31Å; V27-R29 PolarHBondContact O-N 3.42Å; R29-G33 WeakPolarHBondContact O-CA 3.25Å; R29-G33 VanDerWaalsContact O-N 3.16Å; R29-G33 PolarHBondContact O-N 2.79Å |
| 30 | T | 60.5 | Low | 58.2 | Low | 95 Ų | 95 | 127.4 Ų | 127.4 | 58% | 0.583 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -75.8 | -35.8 | 175.2 | 43 | 0 | 0 | 0 | 0 | 112.4 | L26 V27 | L26-T30 HydrophobicContact CD2-CG2 4.34Å; L26-T30 WeakPolarHBondContact O-CB 3.25Å; L26-T30 WeakPolarHBondContact O-CG2 3.27Å; L26-T30 PolarHBondContact O-N 3.03Å; L26-T30 PolarHBondContact O-OG1 3.28Å; V27-T30 PolarHBondContact O-OG1 2.87Å; V27-T30 PolarHBondContact O-N 3.07Å; V27-T30 WeakPolarHBondContact CA-OG1 3.45Å; V27-T30 VanDerWaalsContact CA-OG1 3.32Å |
| 31 | V | 60.9 | Low | 58.4 | Low | 124 Ų | 124 | 120 Ų | 120 | 75% | 0.752 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -75.1 | -30.7 | 177.6 | 177 | 0 | 0 | 0 | 0 | 112.1 | V27 V28 | V27-V31 HydrophobicContact CG1-CG2 4.27Å; V27-V31 WeakPolarHBondContact O-CB 3.39Å; V27-V31 WeakPolarHBondContact O-CG2 3.36Å; V27-V31 PolarHBondContact O-N 3.44Å; V28-V31 PolarHBondContact O-N 3.44Å |
| 32 | S | 59.9 | Low | 58.6 | Low | 96 Ų | 96 | 117.4 Ų | 117.4 | 67% | 0.671 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -93.9 | -4.7 | 178.8 | 62.9 | 0 | 0 | 0 | 0 | 114.9 | V28 | V28-S32 VanDerWaalsContact O-CB 3.29Å; V28-S32 WeakPolarHBondContact O-CB 3.46Å; V28-S32 PolarHBondContact O-N 3.03Å; V28-S32 PolarHBondContact O-OG 3.17Å |
| 33 | G | 54.8 | Low | 58.8 | Low | 39 Ų | 39 | 117.5 Ų | 117.5 | 40% | 0.402 | 62% | 0.618 | S | S | . | * | S | Bend | trans | -107.3 | 80.1 | -168 | 0 | 0 | 0 | 0 | 0 | 116.5 | R29 | R29-G33 WeakPolarHBondContact O-CA 3.25Å; R29-G33 VanDerWaalsContact O-N 3.16Å; R29-G33 PolarHBondContact O-N 2.79Å |
| 34 | S | 54 | Low | 59 | Low | 76 Ų | 76 | 112.8 Ų | 112.8 | 53% | 0.531 | 61% | 0.608 | S | S | . | * | | | trans | 69.4 | 123.8 | 156.7 | -165.6 | 0 | 0 | 0 | 0 | 118.8 | N36 N37 | S34-N36 PolarHBondContact O-N 3.48Å; S34-N37 PolarHBondContact O-N 3.41Å |
| 35 | P | 58.3 | Low | 59.1 | Low | 109 Ų | 109 | 109.7 Ų | 109.7 | 71% | 0.708 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -10.6 | 177.5 | 27.1 | -33.8 | 0 | 0 | 0 | 113.9 | N37 S38 | P35-N37 VanDerWaalsContact C-N 3.35Å; P35-N37 PolarHBondContact O-N 2.88Å; P35-S38 PolarHBondContact O-N 3Å; P35-S38 PolarHBondContact O-OG 3.45Å |
| 36 | N | 56.1 | Low | 59.4 | Low | 131 Ų | 131 | 105.9 Ų | 105.9 | 70% | 0.701 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -79.7 | -8.6 | -178.9 | -70.7 | -65.8 | 0 | 0 | 0 | 114.6 | S34 S38 | S34-N36 PolarHBondContact O-N 3.48Å; N36-S38 VanDerWaalsContact C-N 3.35Å |
| 37 | N | 60.8 | Low | 59.5 | Low | 117 Ų | 117 | 108.4 Ų | 108.4 | 63% | 0.626 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -73.8 | -29.7 | 170.9 | -174.2 | -75.1 | 0 | 0 | 0 | 111.7 | S34 P35 E39 R40 A41 | S34-N37 PolarHBondContact O-N 3.41Å; P35-N37 VanDerWaalsContact C-N 3.35Å; P35-N37 PolarHBondContact O-N 2.88Å; N37-E39 PolarHBondContact O-N 3.31Å; N37-R40 PolarHBondContact O-N 3.48Å; N37-A41 WeakPolarHBondContact O-CB 3.41Å; N37-A41 PolarHBondContact O-N 2.83Å; N37-A41 VanDerWaalsContact O-CB 3.27Å |
| 38 | S | 62.5 | Low | 59.4 | Low | 63 Ų | 63 | 111.2 Ų | 111.2 | 44% | 0.441 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65 | -40.9 | -172 | 70.1 | 0 | 0 | 0 | 0 | 113.9 | P35 N36 M42 | P35-S38 PolarHBondContact O-N 3Å; P35-S38 PolarHBondContact O-OG 3.45Å; N36-S38 VanDerWaalsContact C-N 3.35Å; S38-M42 WeakPolarHBondContact O-CB 3.44Å; S38-M42 VanDerWaalsContact O-CG 3.25Å; S38-M42 WeakPolarHBondContact O-CG 3.32Å; S38-M42 PolarHBondContact O-N 3.47Å |
| 39 | E | 62.1 | Low | 59.3 | Low | 108 Ų | 108 | 112.2 Ų | 112.2 | 51% | 0.505 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -71.2 | -41.7 | -178.8 | -171 | -179.9 | 129.3 | 0 | 0 | 111.9 | N37 M42 R43 | N37-E39 PolarHBondContact O-N 3.31Å; E39-M42 PolarHBondContact O-N 3.16Å; E39-R43 PolarHBondContact OE1-NE 2.94Å; E39-R43 PolarHBondContact OE1-NH2 3.49Å; E39-R43 IonicContact OE1-NH2 3.36Å; E39-R43 IonicContact OE1-NE 2.79Å; E39-R43 PolarHBondContact O-N 2.93Å; E39-R43 WeakPolarHBondContact O-CG 3.44Å; E39-R43 WeakPolarHBondContact O-CB 3.2Å; E39-R43 IonicContact OE1-CZ 2.74Å |
| 40 | R | 62.3 | Low | 59.6 | Low | 209 Ų | 209 | 113.1 Ų | 113.1 | 79% | 0.789 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -67.9 | -38.3 | 177.9 | -167.1 | -179.2 | -179.2 | -152.2 | -0 | 111.2 | N37 A44 | N37-R40 PolarHBondContact O-N 3.48Å; R40-A44 PolarHBondContact O-N 2.96Å; R40-A44 VanDerWaalsContact O-N 3.07Å |
| 41 | A | 61.2 | Low | 59.6 | Low | 43 Ų | 43 | 111.4 Ų | 111.4 | 36% | 0.355 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -64.1 | -47.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | N37 R43 A44 V45 | N37-A41 WeakPolarHBondContact O-CB 3.41Å; N37-A41 PolarHBondContact O-N 2.83Å; N37-A41 VanDerWaalsContact O-CB 3.27Å; A41-R43 PolarHBondContact O-N 3.39Å; A41-A44 PolarHBondContact O-N 2.96Å; A41-V45 VanDerWaalsContact O-CG2 3.31Å; A41-V45 WeakPolarHBondContact O-CG2 3.29Å; A41-V45 PolarHBondContact O-N 2.76Å |
| 42 | M | 59.8 | Low | 59.4 | Low | 131 Ų | 131 | 112.8 Ų | 112.8 | 65% | 0.645 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -65 | -35.1 | 176.9 | -74 | -166.7 | -62.8 | 0 | 0 | 113.1 | S38 E39 V45 G46 | S38-M42 WeakPolarHBondContact O-CB 3.44Å; S38-M42 VanDerWaalsContact O-CG 3.25Å; S38-M42 WeakPolarHBondContact O-CG 3.32Å; S38-M42 PolarHBondContact O-N 3.47Å; E39-M42 PolarHBondContact O-N 3.16Å; M42-V45 PolarHBondContact O-N 3.47Å; M42-G46 PolarHBondContact O-N 3.33Å |
| 43 | R | 62.4 | Low | 59.6 | Low | 168 Ų | 168 | 111.5 Ų | 111.5 | 63% | 0.634 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -64.8 | -43.7 | 173.2 | -78.4 | 178.2 | -170.7 | -99.1 | 2.7 | 112 | E39 A41 V45 G46 E47 | E39-R43 PolarHBondContact OE1-NE 2.94Å; E39-R43 PolarHBondContact OE1-NH2 3.49Å; E39-R43 IonicContact OE1-NH2 3.36Å; E39-R43 IonicContact OE1-NE 2.79Å; E39-R43 PolarHBondContact O-N 2.93Å; E39-R43 WeakPolarHBondContact O-CG 3.44Å; E39-R43 WeakPolarHBondContact O-CB 3.2Å; E39-R43 IonicContact OE1-CZ 2.74Å; A41-R43 PolarHBondContact O-N 3.39Å; R43-V45 VanDerWaalsContact C-N 3.3Å; R43-V45 PolarHBondContact O-N 3.16Å; R43-G46 PolarHBondContact O-N 2.98Å; R43-E47 PolarHBondContact O-N 3.41Å |
| 44 | A | 59 | Low | 59.7 | Low | 70 Ų | 70 | 114.5 Ų | 114.5 | 58% | 0.579 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -63.2 | -37.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R40 A41 | R40-A44 PolarHBondContact O-N 2.96Å; R40-A44 VanDerWaalsContact O-N 3.07Å; A41-A44 PolarHBondContact O-N 2.96Å |
| 45 | V | 59.1 | Low | 59.9 | Low | 102 Ų | 102 | 115.3 Ų | 115.3 | 62% | 0.618 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -73.7 | -32.1 | 174.9 | 177.3 | 0 | 0 | 0 | 0 | 111.9 | A41 M42 R43 M48 | A41-V45 VanDerWaalsContact O-CG2 3.31Å; A41-V45 WeakPolarHBondContact O-CG2 3.29Å; A41-V45 PolarHBondContact O-N 2.76Å; M42-V45 PolarHBondContact O-N 3.47Å; R43-V45 VanDerWaalsContact C-N 3.3Å; R43-V45 PolarHBondContact O-N 3.16Å; V45-M48 WeakPolarHBondContact O-CG 3.43Å |
| 46 | G | 60.2 | Low | 59.9 | Low | 59 Ų | 59 | 122.2 Ų | 122.2 | 61% | 0.608 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -75.3 | -18.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | M42 R43 | M42-G46 PolarHBondContact O-N 3.33Å; R43-G46 PolarHBondContact O-N 2.98Å |
| 47 | E | 59.2 | Low | 59.8 | Low | 168 Ų | 168 | 120.6 Ų | 120.6 | 79% | 0.785 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -1.7 | -176.3 | -154.6 | 171.2 | 159.9 | 0 | 0 | 114 | R43 C49 | R43-E47 PolarHBondContact O-N 3.41Å; E47-C49 VanDerWaalsContact C-N 3.29Å; E47-C49 PolarHBondContact O-N 3.19Å |
| 48 | M | 56.8 | Low | 60 | Low | 147 Ų | 147 | 127 Ų | 127 | 72% | 0.724 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -90.3 | 41.8 | 174.5 | 45.8 | 160 | 53.6 | 0 | 0 | 112.9 | V45 | V45-M48 WeakPolarHBondContact O-CG 3.43Š|
| 49 | C | 58.4 | Low | 59.8 | Low | 119 Ų | 119 | 130.2 Ų | 130.2 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | | | trans | -136.7 | 31.5 | 175.2 | -87.5 | 0 | 0 | 0 | 0 | 113.7 | E47 | E47-C49 VanDerWaalsContact C-N 3.29Å; E47-C49 PolarHBondContact O-N 3.19Å |
| 50 | K | 63.4 | Low | 59.7 | Low | 202 Ų | 202 | 131.4 Ų | 131.4 | 88% | 0.878 | 76% | 0.758 | S | S | * | * | | | trans | -135.4 | 88.1 | 165.9 | -75.2 | 179.6 | 177.5 | 171.4 | 0 | 109.8 | | |
| 51 | G | 59.5 | Low | 59.6 | Low | 58 Ų | 58 | 127.1 Ų | 127.1 | 60% | 0.598 | 76% | 0.757 | S | S | * | * | | | trans | -62.7 | 163.4 | 169 | 0 | 0 | 0 | 0 | 0 | 112 | G53 | G51-G53 PolarHBondContact O-N 3.45Š|
| 52 | P | 57.7 | Low | 59.5 | Low | 153 Ų | 153 | 132 Ų | 132 | 99% | 0.994 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -76.6 | 57.6 | -175.1 | 33 | -36.1 | 0 | 0 | 0 | 112.5 | | |
| 53 | G | 63.7 | Low | 59.5 | Low | 70 Ų | 70 | 132.1 Ų | 132.1 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | | | trans | -150.5 | 18.9 | -169 | 0 | 0 | 0 | 0 | 0 | 116.8 | G51 A55 | G51-G53 PolarHBondContact O-N 3.45Å; G53-A55 PolarHBondContact O-N 3.46Å |
| 54 | A | 57.1 | Low | 59.3 | Low | 102 Ų | 102 | 129.7 Ų | 129.7 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | | | trans | -88.7 | 96.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | R56 | A54-R56 PolarHBondContact O-N 2.94Š|
| 55 | A | 57.2 | Low | 59.3 | Low | 92 Ų | 92 | 133.9 Ų | 133.9 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | | | trans | -48.2 | 135.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G53 A57 | G53-A55 PolarHBondContact O-N 3.46Å; A55-A57 PolarHBondContact O-N 2.65Å |
| 56 | R | 58.7 | Low | 59.3 | Low | 255 Ų | 255 | 136.4 Ų | 136.4 | 96% | 0.962 | 83% | 0.83 | S | S | * | * | | | trans | -58.4 | 102.9 | 155.6 | -79.5 | 174.1 | 147.9 | -130.4 | -2.5 | 107.5 | A54 | A54-R56 PolarHBondContact O-N 2.94Š|
| 57 | A | 54.9 | Low | 59.2 | Low | 96 Ų | 96 | 142.8 Ų | 142.8 | 79% | 0.793 | 85% | 0.849 | S | S | * | * | | | trans | -93.1 | 136.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108 | A55 | A55-A57 PolarHBondContact O-N 2.65Š|
| 58 | L | 64.1 | Low | 59.2 | Low | 252 Ų | 252 | 140.5 Ų | 140.5 | 100% | 1.319 | 85% | 0.854 | S | S | * | * | | | trans | -60.2 | 0 | -168.1 | -65.6 | 164.3 | 0 | 0 | 0 | 114.2 | | |