| 1 | M | 42.9 | Very low | 65 | Low | 242 Ų | 242 | 168.4 Ų | 168.4 | 100% | 1.192 | 79% | 0.791 | S | S | * | * | | | | 0 | 127.1 | 0 | -65 | -177.3 | -164.1 | 0 | 0 | 107.3 | | |
| 2 | E | 74.4 | Confident | 64.6 | Low | 191 Ų | 191 | 167.6 Ų | 167.6 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | | | trans | -57.6 | 134.8 | -176.8 | -62.1 | 179.1 | 148.1 | 0 | 0 | 111.4 | K4 | E2-K4 PolarHBondContact O-N 3.23Š|
| 3 | R | 79.5 | Confident | 64.5 | Low | 248 Ų | 248 | 163.3 Ų | 163.3 | 94% | 0.936 | 76% | 0.762 | S | S | * | * | | | trans | -71 | 111.1 | 170.8 | -84.6 | -174.6 | 179.7 | -162 | 0.3 | 107.5 | E5 | R3-E5 PolarHBondContact O-N 3.48Š|
| 4 | K | 71.1 | Confident | 64.2 | Low | 201 Ų | 201 | 158.2 Ų | 158.2 | 87% | 0.874 | 74% | 0.743 | S | S | * | * | | | trans | -69.3 | 100 | 168.3 | -64.4 | -172.3 | 178.1 | -174.3 | 0 | 107.8 | E2 N6 | E2-K4 PolarHBondContact O-N 3.23Å; K4-N6 PolarHBondContact O-N 3.05Å |
| 5 | E | 74.6 | Confident | 64.3 | Low | 189 Ų | 189 | 156.5 Ų | 156.5 | 88% | 0.883 | 74% | 0.735 | S | S | * | * | | | trans | -64.8 | 122.9 | 169.2 | -150 | 167 | -156.5 | 0 | 0 | 107.5 | R3 P7 | R3-E5 PolarHBondContact O-N 3.48Å; E5-P7 WeakPolarHBondContact O-CD 3.36Å |
| 6 | N | 59.4 | Low | 63.9 | Low | 112 Ų | 112 | 153.7 Ų | 153.7 | 60% | 0.599 | 73% | 0.725 | S | S | * | * | | | trans | -74.1 | 115.6 | -167.3 | -153.8 | -10.6 | 0 | 0 | 0 | 108.9 | K4 L8 | K4-N6 PolarHBondContact O-N 3.05Å; N6-L8 PolarHBondContact O-N 3.21Å |
| 7 | P | 61.7 | Low | 63.8 | Low | 98 Ų | 98 | 153.1 Ų | 153.1 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -9 | -168.9 | 25.6 | -35.6 | 0 | 0 | 0 | 114.8 | E5 R9 T10 | E5-P7 WeakPolarHBondContact O-CD 3.36Å; P7-R9 PolarHBondContact O-N 3.06Å; P7-T10 PolarHBondContact O-N 3.02Å; P7-T10 PolarHBondContact O-OG1 3.13Å; P7-T10 VanDerWaalsContact O-OG1 3.06Å |
| 8 | L | 58.8 | Low | 63.8 | Low | 136 Ų | 136 | 153.6 Ų | 153.6 | 71% | 0.712 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -12.1 | -177 | -69 | 171.3 | 0 | 0 | 0 | 114.5 | N6 | N6-L8 PolarHBondContact O-N 3.21Š|
| 9 | R | 63.9 | Low | 63.3 | Low | 200 Ų | 200 | 152.5 Ų | 152.5 | 76% | 0.755 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -80.4 | -22 | -179.6 | -58.6 | -164.2 | 97.9 | 158.6 | 4.9 | 113.1 | P7 E13 | P7-R9 PolarHBondContact O-N 3.06Å; R9-E13 PolarHBondContact O-N 3.32Å |
| 10 | T | 63 | Low | 62.9 | Low | 82 Ų | 82 | 151.2 Ų | 151.2 | 50% | 0.503 | 72% | 0.719 | S | S | . | * | H | α-helix | trans | -75.8 | -34.3 | -166.3 | -21.3 | 0 | 0 | 0 | 0 | 113.7 | P7 N14 | P7-T10 PolarHBondContact O-N 3.02Å; P7-T10 PolarHBondContact O-OG1 3.13Å; P7-T10 VanDerWaalsContact O-OG1 3.06Å; T10-N14 WeakPolarHBondContact O-CB 3.33Å; T10-N14 PolarHBondContact O-N 3.06Å |
| 11 | E | 65.4 | Low | 62.7 | Low | 153 Ų | 153 | 146.8 Ų | 146.8 | 72% | 0.715 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -71.4 | -46 | -177.6 | -66.8 | -177.1 | 161.4 | 0 | 0 | 112 | E13 N14 E15 | E11-E13 PolarHBondContact O-N 3.44Å; E11-N14 PolarHBondContact O-N 3.22Å; E11-E15 PolarHBondContact O-N 3.38Å |
| 12 | K | 60.8 | Low | 63.7 | Low | 159 Ų | 159 | 136.8 Ų | 136.8 | 69% | 0.691 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -69 | -31.5 | 177.9 | -74.2 | -171.4 | 175.8 | -177.2 | 0 | 113.2 | L16 | K12-L16 WeakPolarHBondContact O-CG 3.42Å; K12-L16 PolarHBondContact O-N 3.47Å |
| 13 | E | 63.1 | Low | 63 | Low | 112 Ų | 112 | 134 Ų | 134 | 52% | 0.523 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -72.3 | -31 | 172.3 | -97.7 | -169.5 | 124.9 | 0 | 0 | 112.9 | R9 E11 K17 | R9-E13 PolarHBondContact O-N 3.32Å; E11-E13 PolarHBondContact O-N 3.44Å; E13-K17 WeakPolarHBondContact O-CG 3.43Å; E13-K17 PolarHBondContact O-N 3.32Å |
| 14 | N | 59.8 | Low | 61.9 | Low | 92 Ų | 92 | 128.8 Ų | 128.8 | 49% | 0.492 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -70 | -45.2 | 174.8 | -89.8 | 6.8 | 0 | 0 | 0 | 111.8 | T10 E11 L16 K17 E18 | T10-N14 WeakPolarHBondContact O-CB 3.33Å; T10-N14 PolarHBondContact O-N 3.06Å; E11-N14 PolarHBondContact O-N 3.22Å; N14-L16 VanDerWaalsContact C-N 3.29Å; N14-L16 PolarHBondContact O-N 3.32Å; N14-K17 PolarHBondContact O-N 3.43Å; N14-K17 VanDerWaalsContact O-N 3.13Å; N14-E18 PolarHBondContact O-N 3.08Å |
| 15 | E | 65.8 | Low | 61.8 | Low | 132 Ų | 132 | 123 Ų | 123 | 62% | 0.617 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -62.9 | -34.2 | 179.4 | -73.5 | -176.3 | 163.7 | 0 | 0 | 113.2 | E11 K17 N19 | E11-E15 PolarHBondContact O-N 3.38Å; E15-K17 VanDerWaalsContact C-N 3.34Å; E15-N19 PolarHBondContact O-ND2 3.06Å; E15-N19 VanDerWaalsContact O-ND2 3.08Å |
| 16 | L | 58.4 | Low | 61.2 | Low | 112 Ų | 112 | 120.6 Ų | 120.6 | 59% | 0.586 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -70.3 | -29.2 | 177.3 | -72.5 | 171.5 | 0 | 0 | 0 | 112.3 | K12 N14 N20 | K12-L16 WeakPolarHBondContact O-CG 3.42Å; K12-L16 PolarHBondContact O-N 3.47Å; N14-L16 VanDerWaalsContact C-N 3.29Å; N14-L16 PolarHBondContact O-N 3.32Å; L16-N20 PolarHBondContact O-ND2 2.72Å |
| 17 | K | 61.4 | Low | 61.6 | Low | 144 Ų | 144 | 118.2 Ų | 118.2 | 63% | 0.626 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -74 | -35.2 | 179.5 | -74.1 | 173.1 | -175 | 170.3 | 0 | 112.6 | E13 N14 E15 N19 | E13-K17 WeakPolarHBondContact O-CG 3.43Å; E13-K17 PolarHBondContact O-N 3.32Å; N14-K17 PolarHBondContact O-N 3.43Å; N14-K17 VanDerWaalsContact O-N 3.13Å; E15-K17 VanDerWaalsContact C-N 3.34Å; K17-N19 VanDerWaalsContact C-N 3.32Å; K17-N19 PolarHBondContact O-N 3.45Å |
| 18 | E | 64.3 | Low | 61.7 | Low | 162 Ų | 162 | 115.3 Ų | 115.3 | 76% | 0.757 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -72.4 | -25.6 | -176.3 | -65.3 | -175.4 | 170.7 | 0 | 0 | 113.1 | N14 | N14-E18 PolarHBondContact O-N 3.08Å |
| 19 | N | 54.4 | Low | 61.9 | Low | 133 Ų | 133 | 113 Ų | 113 | 71% | 0.711 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -100.7 | -4.1 | -176.7 | -67.3 | -68.2 | 0 | 0 | 0 | 115 | E15 K17 G21 | E15-N19 PolarHBondContact O-ND2 3.06Å; E15-N19 VanDerWaalsContact O-ND2 3.08Å; K17-N19 VanDerWaalsContact C-N 3.32Å; K17-N19 PolarHBondContact O-N 3.45Å; N19-G21 PolarHBondContact O-N 2.96Å |
| 20 | N | 55 | Low | 62 | Low | 126 Ų | 126 | 111.1 Ų | 111.1 | 67% | 0.674 | 60% | 0.602 | S | S | * | * | | | trans | -81.9 | 8.2 | 178.8 | -87.9 | -56.7 | 0 | 0 | 0 | 114.1 | L16 G22 | L16-N20 PolarHBondContact O-ND2 2.72Å; N20-G22 PolarHBondContact O-N 3.31Å |
| 21 | G | 59 | Low | 62 | Low | 58 Ų | 58 | 114.5 Ų | 114.5 | 60% | 0.598 | 61% | 0.612 | S | S | * | * | | | trans | -70.3 | 53 | 160.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N19 | N19-G21 PolarHBondContact O-N 2.96Š|
| 22 | G | 63.3 | Low | 62 | Low | 33 Ų | 33 | 114.5 Ų | 114.5 | 34% | 0.34 | 61% | 0.609 | S | S | . | * | | | trans | -63.3 | 167.8 | 173 | 0 | 0 | 0 | 0 | 0 | 110.8 | N20 N24 D25 | N20-G22 PolarHBondContact O-N 3.31Å; G22-N24 PolarHBondContact O-N 3.13Å; G22-D25 PolarHBondContact O-N 3.26Å |
| 23 | P | 61.1 | Low | 62 | Low | 131 Ų | 131 | 109 Ų | 109 | 85% | 0.851 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -4.5 | 179 | 25.4 | -35.3 | 0 | 0 | 0 | 114.6 | | |
| 24 | N | 56.5 | Low | 61.8 | Low | 139 Ų | 139 | 109.9 Ų | 109.9 | 74% | 0.743 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | 12.7 | 175 | -66.7 | -58 | 0 | 0 | 0 | 113.8 | G22 L26 | G22-N24 PolarHBondContact O-N 3.13Å; N24-L26 PolarHBondContact O-N 2.79Å |
| 25 | D | 69.1 | Low | 61.9 | Low | 80 Ų | 80 | 113.6 Ų | 113.6 | 43% | 0.428 | 61% | 0.614 | S | S | . | * | | | trans | -60.8 | 103.8 | 172 | 177.3 | 28.9 | 0 | 0 | 0 | 110 | G22 A27 G28 V29 | G22-D25 PolarHBondContact O-N 3.26Å; D25-A27 PolarHBondContact OD1-N 2.84Å; D25-A27 VanDerWaalsContact O-N 3.13Å; D25-A27 PolarHBondContact O-N 2.88Å; D25-G28 PolarHBondContact O-N 3.28Å; D25-G28 VanDerWaalsContact O-N 3.13Å; D25-V29 PolarHBondContact O-N 3.47Å |
| 26 | L | 60.3 | Low | 61.7 | Low | 139 Ų | 139 | 117 Ų | 117 | 73% | 0.728 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -59.1 | -26.8 | -176.1 | -66 | 174 | 0 | 0 | 0 | 111.5 | N24 V29 Y30 | N24-L26 PolarHBondContact O-N 2.79Å; L26-V29 PolarHBondContact O-N 3.43Å; L26-Y30 WeakPolarHBondContact O-CB 3.34Å; L26-Y30 PolarHBondContact O-N 3.36Å |
| 27 | A | 68.6 | Low | 61.6 | Low | 61 Ų | 61 | 120.1 Ų | 120.1 | 50% | 0.504 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -64.2 | -44.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D25 Y30 Q31 | D25-A27 PolarHBondContact OD1-N 2.84Å; D25-A27 VanDerWaalsContact O-N 3.13Å; D25-A27 PolarHBondContact O-N 2.88Å; A27-Y30 PolarHBondContact O-N 3.48Å; A27-Q31 PolarHBondContact O-N 3.41Å; A27-Q31 VanDerWaalsContact O-N 3.14Å |
| 28 | G | 63.3 | Low | 61.5 | Low | 37 Ų | 37 | 120.6 Ų | 120.6 | 38% | 0.381 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -66.1 | -39.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | D25 Q31 K32 | D25-G28 PolarHBondContact O-N 3.28Å; D25-G28 VanDerWaalsContact O-N 3.13Å; G28-Q31 PolarHBondContact O-N 3.14Å; G28-K32 PolarHBondContact O-N 3.14Å; G28-K32 WeakPolarHBondContact O-CB 3.43Å |
| 29 | V | 64.6 | Low | 61.4 | Low | 88 Ų | 88 | 118.3 Ų | 118.3 | 53% | 0.533 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -63.4 | -42.4 | 175.7 | 178.4 | 0 | 0 | 0 | 0 | 111.1 | D25 L26 K32 G33 | D25-V29 PolarHBondContact O-N 3.47Å; L26-V29 PolarHBondContact O-N 3.43Å; V29-K32 PolarHBondContact O-N 2.93Å; V29-G33 PolarHBondContact O-N 3.35Å |
| 30 | Y | 65.4 | Low | 61.7 | Low | 161 Ų | 161 | 116 Ų | 116 | 63% | 0.631 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -63.8 | -41.5 | 178.5 | -171.9 | -95.7 | 0 | 0 | 0 | 112.1 | L26 A27 K34 | L26-Y30 WeakPolarHBondContact O-CB 3.34Å; L26-Y30 PolarHBondContact O-N 3.36Å; A27-Y30 PolarHBondContact O-N 3.48Å; Y30-K34 PolarHBondContact O-N 2.89Å |
| 31 | Q | 63.5 | Low | 62.2 | Low | 153 Ų | 153 | 112.9 Ų | 112.9 | 72% | 0.715 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -66 | -44.4 | 174.2 | -82.7 | -170.9 | -5.5 | 0 | 0 | 112.3 | A27 G28 G33 K34 | A27-Q31 PolarHBondContact O-N 3.41Å; A27-Q31 VanDerWaalsContact O-N 3.14Å; G28-Q31 PolarHBondContact O-N 3.14Å; Q31-G33 VanDerWaalsContact C-N 3.29Å; Q31-G33 PolarHBondContact O-N 3.43Å; Q31-K34 PolarHBondContact O-N 3.39Å; Q31-K34 VanDerWaalsContact O-N 3.14Å |
| 32 | K | 63.9 | Low | 62.6 | Low | 152 Ų | 152 | 116 Ų | 116 | 66% | 0.661 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -64.7 | -32.7 | 179.4 | -167.9 | 173.5 | -177.2 | 176.8 | 0 | 112.6 | G28 V29 K34 | G28-K32 PolarHBondContact O-N 3.14Å; G28-K32 WeakPolarHBondContact O-CB 3.43Å; V29-K32 PolarHBondContact O-N 2.93Å; K32-K34 VanDerWaalsContact C-N 3.31Å; K32-K34 PolarHBondContact O-N 3.29Å |
| 33 | G | 61.5 | Low | 62.8 | Low | 45 Ų | 45 | 122.8 Ų | 122.8 | 46% | 0.464 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -69.3 | -23.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | V29 Q31 | V29-G33 PolarHBondContact O-N 3.35Å; Q31-G33 VanDerWaalsContact C-N 3.29Å; Q31-G33 PolarHBondContact O-N 3.43Å |
| 34 | K | 58.8 | Low | 63.2 | Low | 130 Ų | 130 | 127.8 Ų | 127.8 | 57% | 0.565 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -78.2 | -33.9 | -179.1 | -119.8 | -167.5 | -177.1 | -169.5 | 0 | 113.2 | Y30 Q31 K32 R36 R37 | Y30-K34 PolarHBondContact O-N 2.89Å; Q31-K34 PolarHBondContact O-N 3.39Å; Q31-K34 VanDerWaalsContact O-N 3.14Å; K32-K34 VanDerWaalsContact C-N 3.31Å; K32-K34 PolarHBondContact O-N 3.29Å; K34-R36 VanDerWaalsContact C-N 3.27Å; K34-R36 PolarHBondContact O-N 3.13Å; K34-R37 PolarHBondContact O-N 2.9Å |
| 35 | Q | 61 | Low | 63.5 | Low | 169 Ų | 169 | 128.1 Ų | 128.1 | 79% | 0.79 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -69.2 | -20.7 | -174.7 | -129 | 179.8 | 15.9 | 0 | 0 | 114.3 | | |
| 36 | R | 62.1 | Low | 63.3 | Low | 203 Ų | 203 | 131.6 Ų | 131.6 | 77% | 0.766 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -88.2 | -2.6 | -176.5 | -69.6 | -171 | 171 | -140.6 | -3.1 | 114.7 | K34 | K34-R36 VanDerWaalsContact C-N 3.27Å; K34-R36 PolarHBondContact O-N 3.13Å |
| 37 | R | 56.4 | Low | 63.4 | Low | 178 Ų | 178 | 130.4 Ų | 130.4 | 67% | 0.672 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -83.1 | -10.6 | -174 | -115 | -175.3 | -70.5 | -178.2 | -3.1 | 114.8 | K34 S39 | K34-R37 PolarHBondContact O-N 2.9Å; R37-S39 PolarHBondContact O-N 3.49Å |
| 38 | D | 60.3 | Low | 63.4 | Low | 154 Ų | 154 | 136.2 Ų | 136.2 | 82% | 0.824 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -88.7 | 1.8 | -171.6 | -64.2 | -30.2 | 0 | 0 | 0 | 115.5 | | |
| 39 | S | 61.3 | Low | 63.3 | Low | 114 Ų | 114 | 142.3 Ų | 142.3 | 80% | 0.797 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -130.7 | 5.3 | -177.3 | 73.6 | 0 | 0 | 0 | 0 | 116.7 | R37 | R37-S39 PolarHBondContact O-N 3.49Š|
| 40 | A | 61.5 | Low | 62.8 | Low | 84 Ų | 84 | 141.9 Ų | 141.9 | 69% | 0.694 | 71% | 0.708 | S | S | * | * | | | trans | -117.4 | 73.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 41 | G | 65.9 | Low | 62.7 | Low | 61 Ų | 61 | 143.2 Ų | 143.2 | 63% | 0.629 | 72% | 0.717 | S | S | * | * | | | trans | -52.1 | 148.8 | 159.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q43 | G41-Q43 PolarHBondContact O-N 3.04Š|
| 42 | P | 66.5 | Low | 62.5 | Low | 123 Ų | 123 | 141 Ų | 141 | 80% | 0.799 | 72% | 0.717 | S | S | * | * | | | trans | -52.9 | 122.6 | -179.9 | 22.7 | -32.5 | 0 | 0 | 0 | 108 | R44 | P42-R44 VanDerWaalsContact C-N 3.34Å; P42-R44 PolarHBondContact O-N 2.79Å |
| 43 | Q | 67.7 | Low | 62.4 | Low | 176 Ų | 176 | 141.6 Ų | 141.6 | 82% | 0.822 | 72% | 0.721 | S | S | * | * | | | trans | -57.2 | 104.4 | 176.1 | -155.5 | -174.9 | 15.5 | 0 | 0 | 106 | G41 F45 | G41-Q43 PolarHBondContact O-N 3.04Å; Q43-F45 VanDerWaalsContact C-N 3.31Å; Q43-F45 PolarHBondContact O-N 3.26Å |
| 44 | R | 68.8 | Low | 62.1 | Low | 237 Ų | 237 | 142.9 Ų | 142.9 | 89% | 0.894 | 72% | 0.722 | S | S | * | * | | | trans | -62.4 | 101 | 175.6 | -89.6 | -178.8 | 166 | -141.9 | -1 | 106.1 | P42 K46 | P42-R44 VanDerWaalsContact C-N 3.34Å; P42-R44 PolarHBondContact O-N 2.79Å; R44-K46 PolarHBondContact O-N 2.84Å |
| 45 | F | 63.9 | Low | 62.1 | Low | 146 Ų | 146 | 144.5 Ų | 144.5 | 64% | 0.64 | 73% | 0.732 | S | S | * | * | | | trans | -63.7 | 122.3 | 175.1 | -143.4 | -95.5 | 0 | 0 | 0 | 107 | Q43 P47 T50 | Q43-F45 VanDerWaalsContact C-N 3.31Å; Q43-F45 PolarHBondContact O-N 3.26Å; F45-P47 WeakPolarHBondContact O-CD 3.06Å; F45-T50 WeakPolarHBondContact CD1-OG1 3.19Å; F45-T50 HydrophobicContact CE1-CG2 4.33Å; F45-T50 WeakPolarHBondContact CE1-OG1 3.1Å |
| 46 | K | 64.8 | Low | 62.1 | Low | 152 Ų | 152 | 147.6 Ų | 147.6 | 66% | 0.661 | 74% | 0.737 | S | S | * | * | | | trans | -64 | 115.8 | 173.8 | -70.9 | -177.9 | 180 | 179.7 | 0 | 106.8 | R44 E48 E49 | R44-K46 PolarHBondContact O-N 2.84Å; K46-E48 VanDerWaalsContact O-N 3.09Å; K46-E48 PolarHBondContact O-N 3.28Å; K46-E49 PolarHBondContact O-N 3.12Å |
| 47 | P | 61.7 | Low | 61.9 | Low | 115 Ų | 115 | 147.4 Ų | 147.4 | 75% | 0.747 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -61.9 | -18.5 | 179.6 | 23 | -31.4 | 0 | 0 | 0 | 112.6 | F45 E49 T50 | F45-P47 WeakPolarHBondContact O-CD 3.06Å; P47-E49 PolarHBondContact O-N 3.36Å; P47-T50 PolarHBondContact O-N 3.09Å |
| 48 | E | 69.7 | Low | 61.8 | Low | 183 Ų | 183 | 146.2 Ų | 146.2 | 86% | 0.855 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -60.6 | -21.5 | 178.5 | -88.4 | -175.7 | 122.1 | 0 | 0 | 115.3 | K46 | K46-E48 VanDerWaalsContact O-N 3.09Å; K46-E48 PolarHBondContact O-N 3.28Å |
| 49 | E | 60.4 | Low | 61.7 | Low | 165 Ų | 165 | 143.5 Ų | 143.5 | 77% | 0.771 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -114.2 | -0.8 | -178 | -87.5 | -176.3 | 145.9 | 0 | 0 | 115 | K46 P47 K51 | K46-E49 PolarHBondContact O-N 3.12Å; P47-E49 PolarHBondContact O-N 3.36Å; E49-K51 VanDerWaalsContact C-N 3.27Å; E49-K51 PolarHBondContact O-N 2.89Å |
| 50 | T | 54.8 | Low | 61.5 | Low | 78 Ų | 78 | 140.5 Ų | 140.5 | 48% | 0.479 | 73% | 0.728 | S | S | . | * | | | trans | -85.2 | 77.6 | 175.4 | -36.1 | 0 | 0 | 0 | 0 | 109.1 | F45 P47 P52 | F45-T50 WeakPolarHBondContact CD1-OG1 3.19Å; F45-T50 HydrophobicContact CE1-CG2 4.33Å; F45-T50 WeakPolarHBondContact CE1-OG1 3.1Å; P47-T50 PolarHBondContact O-N 3.09Å; T50-P52 WeakPolarHBondContact O-CD 3.44Å; T50-P52 VanDerWaalsContact O-N 3.13Å |
| 51 | K | 62.8 | Low | 61.1 | Low | 189 Ų | 189 | 143.3 Ų | 143.3 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | | | trans | -53.8 | 121.4 | 162 | -71.3 | 179.9 | -179.1 | 176.5 | 0 | 106.7 | E49 H53 | E49-K51 VanDerWaalsContact C-N 3.27Å; E49-K51 PolarHBondContact O-N 2.89Å; K51-H53 PolarHBondContact O-N 2.97Å |
| 52 | P | 59.5 | Low | 60.3 | Low | 108 Ų | 108 | 144.2 Ų | 144.2 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | | | trans | -58.6 | 120.3 | -177.2 | 21.7 | -30.9 | 0 | 0 | 0 | 108.3 | T50 C54 | T50-P52 WeakPolarHBondContact O-CD 3.44Å; T50-P52 VanDerWaalsContact O-N 3.13Å; P52-C54 VanDerWaalsContact C-N 3.34Å; P52-C54 PolarHBondContact O-N 3.44Å |
| 53 | H | 61.3 | Low | 59.3 | Low | 163 Ų | 163 | 146.5 Ų | 146.5 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | | | trans | -67.2 | 99.6 | 170.1 | -174.8 | -13.3 | 0 | 0 | 0 | 106.7 | K51 Q55 | K51-H53 PolarHBondContact O-N 2.97Å; H53-Q55 PolarHBondContact O-N 3.32Å |
| 54 | C | 55.1 | Low | 58.4 | Low | 72 Ų | 72 | 142.8 Ų | 142.8 | 49% | 0.486 | 74% | 0.742 | S | S | . | * | | | trans | -61.6 | 107.5 | 178.5 | -61.3 | 0 | 0 | 0 | 0 | 109.2 | P52 R56 C59 | P52-C54 VanDerWaalsContact C-N 3.34Å; P52-C54 PolarHBondContact O-N 3.44Å; C54-R56 PolarHBondContact O-N 3.18Å; C54-C59 HydrophobicContact CB-CB 4.18Å |
| 55 | Q | 57.9 | Low | 57.5 | Low | 164 Ų | 164 | 137.7 Ų | 137.7 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | | | trans | -86.8 | 103.1 | 171.2 | -70.6 | -154.9 | 11.2 | 0 | 0 | 109.8 | H53 F57 | H53-Q55 PolarHBondContact O-N 3.32Å; Q55-F57 VanDerWaalsContact C-N 3.33Å; Q55-F57 PolarHBondContact O-N 3.45Å |
| 56 | R | 62.1 | Low | 56.6 | Low | 235 Ų | 235 | 134.3 Ų | 134.3 | 89% | 0.887 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 43.3 | -37 | 159.3 | -65.9 | -168.6 | 167.6 | 162.7 | -1.2 | 122.3 | C54 | C54-R56 PolarHBondContact O-N 3.18Š|
| 57 | F | 58.3 | Low | 56 | Low | 199 Ų | 199 | 131.5 Ų | 131.5 | 87% | 0.873 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.2 | 10.3 | -172.3 | -86.8 | -83.4 | 0 | 0 | 0 | 116.8 | Q55 | Q55-F57 VanDerWaalsContact C-N 3.33Å; Q55-F57 PolarHBondContact O-N 3.45Å |
| 58 | D | 53.9 | Low | 55.7 | Low | 152 Ų | 152 | 132.8 Ų | 132.8 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -129.3 | 25.2 | 169.8 | -118.5 | -29.1 | 0 | 0 | 0 | 113.1 | G60 | D58-G60 VanDerWaalsContact C-N 3.3Š|
| 59 | C | 58.7 | Low | 55.2 | Low | 97 Ų | 97 | 129.3 Ų | 129.3 | 66% | 0.655 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -93.2 | 7.4 | 161.7 | -132.3 | 0 | 0 | 0 | 0 | 111.8 | C54 | C54-C59 HydrophobicContact CB-CB 4.18Š|
| 60 | G | 56 | Low | 55.1 | Low | 52 Ų | 52 | 126.7 Ų | 126.7 | 54% | 0.536 | 76% | 0.762 | S | S | . | * | S | Bend | trans | -114 | 106.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | D58 | D58-G60 VanDerWaalsContact C-N 3.3Š|
| 61 | V | 53.5 | Low | 55.5 | Low | 142 Ų | 142 | 130.3 Ų | 130.3 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | | | trans | 67.6 | 100.8 | 164.8 | -167.9 | 0 | 0 | 0 | 0 | 115.8 | | |
| 62 | A | 48.8 | Very low | 55.3 | Low | 81 Ų | 81 | 128.3 Ų | 128.3 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | | | trans | -65.1 | 162.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 63 | L | 45.9 | Very low | 55.6 | Low | 171 Ų | 171 | 126.4 Ų | 126.4 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | | | trans | 95.4 | 122.2 | 168.2 | -72.8 | 98.5 | 0 | 0 | 0 | 117.4 | | |
| 64 | A | 49.4 | Very low | 55.5 | Low | 98 Ų | 98 | 125.5 Ų | 125.5 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | | | trans | 92.3 | 115.5 | 158.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 65 | S | 49.3 | Very low | 55.7 | Low | 130 Ų | 130 | 130.5 Ų | 130.5 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | | | trans | 78 | 110.4 | 178 | -48.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 66 | G | 44.9 | Very low | 55.7 | Low | 74 Ų | 74 | 128.5 Ų | 128.5 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | | | cis | 104.8 | 89.6 | 49.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 67 | A | 52.1 | Low | 55.8 | Low | 93 Ų | 93 | 122.9 Ų | 122.9 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | trans | 48.4 | 115.5 | 155.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 68 | T | 55.6 | Low | 56 | Low | 142 Ų | 142 | 117 Ų | 117 | 87% | 0.871 | 78% | 0.78 | S | S | * | * | | | | 177.2 | 116.9 | 103.9 | 30.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 69 | A | 59.9 | Low | 56.2 | Low | 111 Ų | 111 | 114.8 Ų | 114.8 | 92% | 0.917 | 78% | 0.777 | S | S | * | * | | | trans | -88.9 | 111.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 70 | S | 56.9 | Low | 56.2 | Low | 109 Ų | 109 | 116.5 Ų | 116.5 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | | | trans | -115.4 | 106 | 165.6 | -168.6 | 0 | 0 | 0 | 0 | 107.7 | | |
| 71 | N | 63 | Low | 56.5 | Low | 154 Ų | 154 | 119.9 Ų | 119.9 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | | | trans | -100.6 | 89.7 | -176.6 | -159.1 | 25.7 | 0 | 0 | 0 | 108.7 | A73 | N71-A73 PolarHBondContact O-N 2.96Š|
| 72 | D | 59.4 | Low | 56.6 | Low | 148 Ų | 148 | 116 Ų | 116 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | | | trans | -90.2 | 81.8 | 175.5 | -133.2 | -43.3 | 0 | 0 | 0 | 108.8 | | |
| 73 | A | 66.1 | Low | 56.7 | Low | 67 Ų | 67 | 117.9 Ų | 117.9 | 55% | 0.554 | 79% | 0.794 | S | S | * | * | | | trans | -120.3 | 63.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | N71 | N71-A73 PolarHBondContact O-N 2.96Š|
| 74 | N | 59.6 | Low | 57.5 | Low | 145 Ų | 145 | 121.9 Ų | 121.9 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | | | trans | -160.1 | 72.9 | 162.3 | -85.7 | -42 | 0 | 0 | 0 | 111.4 | | |
| 75 | Q | 58.4 | Low | 58 | Low | 176 Ų | 176 | 129.4 Ų | 129.4 | 82% | 0.822 | 82% | 0.819 | S | S | * | * | | | trans | -129.1 | 94 | 158.4 | -76.4 | -71.8 | -54.4 | 0 | 0 | 108.2 | S77 | Q75-S77 PolarHBondContact O-N 2.97Š|
| 76 | P | 57.6 | Low | 58.4 | Low | 123 Ų | 123 | 129.4 Ų | 129.4 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | | | trans | -69.1 | 97.3 | 172.8 | 27.8 | -32 | 0 | 0 | 0 | 109.1 | G78 | P76-G78 PolarHBondContact O-N 2.95Š|
| 77 | S | 63.9 | Low | 59.2 | Low | 116 Ų | 116 | 132.3 Ų | 132.3 | 81% | 0.811 | 82% | 0.817 | S | S | * | * | | | trans | -76.8 | 64 | 170 | 67.3 | 0 | 0 | 0 | 0 | 110.3 | Q75 S79 | Q75-S77 PolarHBondContact O-N 2.97Å; S77-S79 PolarHBondContact O-N 3.04Å |
| 78 | G | 62.7 | Low | 59.6 | Low | 75 Ų | 75 | 134.5 Ų | 134.5 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | | | trans | -75.9 | 69.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | P76 T80 | P76-G78 PolarHBondContact O-N 2.95Å; G78-T80 PolarHBondContact O-N 3Å |
| 79 | S | 58.5 | Low | 59.8 | Low | 107 Ų | 107 | 134.1 Ų | 134.1 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | | | trans | -76.7 | 109.2 | 169.8 | 169.2 | 0 | 0 | 0 | 0 | 108.7 | S77 | S77-S79 PolarHBondContact O-N 3.04Š|
| 80 | T | 58.2 | Low | 59.8 | Low | 133 Ų | 133 | 135.5 Ų | 135.5 | 82% | 0.816 | 81% | 0.811 | S | S | * | * | | | trans | -160.4 | 96.6 | 149.4 | 32.1 | 0 | 0 | 0 | 0 | 109.1 | G78 G82 | G78-T80 PolarHBondContact O-N 3Å; T80-G82 PolarHBondContact O-N 2.8Å |
| 81 | S | 63.6 | Low | 60 | Low | 122 Ų | 122 | 137.3 Ų | 137.3 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | | | trans | -65.7 | 113.8 | 159.8 | 51.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 82 | G | 55.6 | Low | 59.8 | Low | 62 Ų | 62 | 136.1 Ų | 136.1 | 64% | 0.639 | 81% | 0.813 | S | S | * | * | | | trans | -64.4 | 175.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | T80 | T80-G82 PolarHBondContact O-N 2.8Š|
| 83 | P | 50.2 | Low | 59.8 | Low | 119 Ų | 119 | 135.2 Ų | 135.2 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | | | trans | -75.5 | 145.8 | -149 | 29.4 | -34.7 | 0 | 0 | 0 | 113.7 | M85 | P83-M85 PolarHBondContact O-N 3.36Å; P83-M85 VanDerWaalsContact O-N 3.12Å |
| 84 | R | 62.3 | Low | 59.3 | Low | 256 Ų | 256 | 140.8 Ų | 140.8 | 97% | 0.966 | 84% | 0.836 | S | S | * | * | | | trans | -66.4 | 105 | 170.1 | -72.2 | -168.7 | 159.7 | -138.1 | -5.5 | 109.7 | | |
| 85 | M | 60.5 | Low | 59.2 | Low | 256 Ų | 256 | 140.5 Ų | 140.5 | 100% | 1.261 | 84% | 0.842 | S | S | * | * | | | trans | -128.4 | 0 | 154.8 | -71.1 | -169.1 | -174.7 | 0 | 0 | 108.4 | P83 | P83-M85 PolarHBondContact O-N 3.36Å; P83-M85 VanDerWaalsContact O-N 3.12Å |