| 1 | M | 78.6 | Confident | 91.7 | Very high | 214 Ų | 214 | 128.2 Ų | 128.2 | 100% | 1.054 | 59% | 0.594 | S | S | * | * | | | | 0 | -46.6 | 0 | -152.4 | 178.4 | -72.3 | 0 | 0 | 110.8 | R3 E4 | M1-R3 PolarHBondContact O-N 3.26Å; M1-E4 PolarHBondContact O-N 3.03Å |
| 2 | E | 91.8 | Very high | 91.6 | Very high | 158 Ų | 158 | 128.3 Ų | 128.3 | 74% | 0.738 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -59 | -30 | -177.1 | -146.8 | 170.5 | -162.9 | 0 | 0 | 116.6 | T5 L6 | E2-T5 WeakPolarHBondContact CA-OG1 2.95Å; E2-T5 PolarHBondContact O-OG1 2.96Å; E2-L6 PolarHBondContact O-N 3.3Å |
| 3 | R | 92.6 | Very high | 91.2 | Very high | 224 Ų | 224 | 123.3 Ų | 123.3 | 85% | 0.845 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -69.4 | -34.2 | 178.8 | -169.9 | 177.5 | -179.7 | -178 | 0.7 | 113.2 | M1 R7 | M1-R3 PolarHBondContact O-N 3.26Å; R3-R7 PolarHBondContact O-N 3.11Å |
| 4 | E | 93.9 | Very high | 90.8 | Very high | 73 Ų | 73 | 127.1 Ų | 127.1 | 34% | 0.341 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -78.8 | -30.5 | -178.7 | -173.3 | 60.7 | -167.8 | 0 | 0 | 111.6 | M1 R7 R8 | M1-E4 PolarHBondContact O-N 3.03Å; E4-R7 PolarHBondContact O-N 3.01Å; E4-R7 IonicContact OE1-CZ 3.68Å; E4-R7 IonicContact OE1-NE 2.97Å; E4-R7 PolarHBondContact OE1-NE 3.2Å; E4-R7 IonicContact OE1-NH2 3.52Å; E4-R7 PolarHBondContact OE1-NH2 3.36Å; E4-R7 IonicContact OE2-CZ 3.62Å; E4-R7 IonicContact OE2-NE 2.81Å; E4-R7 PolarHBondContact OE2-NE 3.21Å; E4-R7 IonicContact OE2-NH2 3.77Å; E4-R8 PolarHBondContact O-N 3.39Å |
| 5 | T | 94.5 | Very high | 90.3 | Very high | 74 Ų | 74 | 132.5 Ų | 132.5 | 45% | 0.454 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -66.5 | -42.7 | 173.6 | 49.4 | 0 | 0 | 0 | 0 | 111.4 | E2 R7 R8 Q9 | E2-T5 WeakPolarHBondContact CA-OG1 2.95Å; E2-T5 PolarHBondContact O-OG1 2.96Å; T5-R7 VanDerWaalsContact C-N 3.33Å; T5-R7 PolarHBondContact O-N 3.08Å; T5-R8 PolarHBondContact O-N 3.34Å; T5-Q9 WeakPolarHBondContact O-CB 3.13Å; T5-Q9 PolarHBondContact O-N 3.5Å |
| 6 | L | 94.4 | Very high | 89.5 | Confident | 106 Ų | 106 | 129.4 Ų | 129.4 | 56% | 0.555 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.2 | -37 | 173.9 | -70.3 | 172.5 | 0 | 0 | 0 | 112.3 | E2 Q9 A10 | E2-L6 PolarHBondContact O-N 3.3Å; L6-Q9 PolarHBondContact O-N 2.93Å; L6-A10 WeakPolarHBondContact O-CB 3.19Å; L6-A10 PolarHBondContact O-N 3.47Å |
| 7 | R | 94.4 | Very high | 88.1 | Confident | 138 Ų | 138 | 124.5 Ų | 124.5 | 52% | 0.521 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.3 | -44.6 | 176 | -164.7 | 177.2 | 77.1 | 99.8 | 5.9 | 111.8 | R3 E4 T5 E11 | R3-R7 PolarHBondContact O-N 3.11Å; E4-R7 PolarHBondContact O-N 3.01Å; E4-R7 IonicContact OE1-CZ 3.68Å; E4-R7 IonicContact OE1-NE 2.97Å; E4-R7 PolarHBondContact OE1-NE 3.2Å; E4-R7 IonicContact OE1-NH2 3.52Å; E4-R7 PolarHBondContact OE1-NH2 3.36Å; E4-R7 IonicContact OE2-CZ 3.62Å; E4-R7 IonicContact OE2-NE 2.81Å; E4-R7 PolarHBondContact OE2-NE 3.21Å; E4-R7 IonicContact OE2-NH2 3.77Å; T5-R7 VanDerWaalsContact C-N 3.33Å; T5-R7 PolarHBondContact O-N 3.08Å; R7-E11 WeakPolarHBondContact O-CB 3.38Å; R7-E11 PolarHBondContact O-N 3.03Å; R7-E11 VanDerWaalsContact O-N 3.1Å |
| 8 | R | 93.8 | Very high | 86.5 | Confident | 157 Ų | 157 | 122.3 Ų | 122.3 | 59% | 0.592 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.7 | -43.5 | 175 | -74.6 | -172.8 | -162.3 | 143.5 | 4.1 | 112.4 | E4 T5 A10 E11 E12 | E4-R8 PolarHBondContact O-N 3.39Å; T5-R8 PolarHBondContact O-N 3.34Å; R8-A10 VanDerWaalsContact C-N 3.32Å; R8-A10 PolarHBondContact O-N 3.3Å; R8-E11 PolarHBondContact O-N 3.36Å; R8-E11 VanDerWaalsContact O-N 3.13Å; R8-E12 WeakPolarHBondContact O-CB 3.44Å; R8-E12 PolarHBondContact O-N 3.26Å |
| 9 | Q | 92.5 | Very high | 85.1 | Confident | 128 Ų | 128 | 122.4 Ų | 122.4 | 60% | 0.598 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.5 | -39.5 | 179.2 | -168.6 | 178 | 10 | 0 | 0 | 112 | T5 L6 E12 A13 | T5-Q9 WeakPolarHBondContact O-CB 3.13Å; T5-Q9 PolarHBondContact O-N 3.5Å; L6-Q9 PolarHBondContact O-N 2.93Å; Q9-E12 PolarHBondContact O-N 2.89Å; Q9-A13 VanDerWaalsContact O-CB 3.32Å; Q9-A13 WeakPolarHBondContact O-CB 3.44Å; Q9-A13 PolarHBondContact O-N 2.82Å |
| 10 | A | 91 | Very high | 83.8 | Confident | 53 Ų | 53 | 124.6 Ų | 124.6 | 44% | 0.438 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -70.8 | -28.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | L6 R8 R14 | L6-A10 WeakPolarHBondContact O-CB 3.19Å; L6-A10 PolarHBondContact O-N 3.47Å; R8-A10 VanDerWaalsContact C-N 3.32Å; R8-A10 PolarHBondContact O-N 3.3Å; A10-R14 WeakPolarHBondContact O-CG 3.48Å; A10-R14 PolarHBondContact O-N 2.99Å; A10-R14 PolarHBondContact O-NE 2.9Å |
| 11 | E | 91 | Very high | 82.5 | Confident | 85 Ų | 85 | 122.1 Ų | 122.1 | 40% | 0.397 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -77.7 | -36 | 174.4 | -165.3 | 161.7 | -172.8 | 0 | 0 | 111.9 | R7 R8 R14 R15 | R7-E11 WeakPolarHBondContact O-CB 3.38Å; R7-E11 PolarHBondContact O-N 3.03Å; R7-E11 VanDerWaalsContact O-N 3.1Å; R8-E11 PolarHBondContact O-N 3.36Å; R8-E11 VanDerWaalsContact O-N 3.13Å; E11-R14 PolarHBondContact O-N 3.25Å; E11-R15 PolarHBondContact O-N 3.32Å; E11-R15 VanDerWaalsContact O-N 3.08Å |
| 12 | E | 90.3 | Very high | 81.7 | Confident | 129 Ų | 129 | 119.7 Ų | 119.7 | 60% | 0.603 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69 | -41.5 | 172.7 | -170.9 | 161.9 | -160.9 | 0 | 0 | 111.7 | R8 Q9 R14 R15 C16 | R8-E12 WeakPolarHBondContact O-CB 3.44Å; R8-E12 PolarHBondContact O-N 3.26Å; Q9-E12 PolarHBondContact O-N 2.89Å; E12-R14 VanDerWaalsContact C-N 3.27Å; E12-R14 PolarHBondContact O-N 3.03Å; E12-R15 PolarHBondContact O-N 2.76Å; E12-C16 PolarHBondContact O-N 2.91Å; E12-C16 PolarHBondContact O-SG 3.35Å |
| 13 | A | 87.1 | Confident | 80.5 | Confident | 64 Ų | 64 | 118.9 Ų | 118.9 | 53% | 0.529 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -59.8 | -36.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q9 G17 | Q9-A13 VanDerWaalsContact O-CB 3.32Å; Q9-A13 WeakPolarHBondContact O-CB 3.44Å; Q9-A13 PolarHBondContact O-N 2.82Å; A13-G17 PolarHBondContact O-N 2.95Å |
| 14 | R | 85.3 | Confident | 79.2 | Confident | 177 Ų | 177 | 111.2 Ų | 111.2 | 67% | 0.668 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -70.7 | -29.1 | 173.6 | -76.5 | -176.2 | -70.4 | 164.4 | 2.5 | 113.3 | A10 E11 E12 | A10-R14 WeakPolarHBondContact O-CG 3.48Å; A10-R14 PolarHBondContact O-N 2.99Å; A10-R14 PolarHBondContact O-NE 2.9Å; E11-R14 PolarHBondContact O-N 3.25Å; E12-R14 VanDerWaalsContact C-N 3.27Å; E12-R14 PolarHBondContact O-N 3.03Å |
| 15 | R | 84.1 | Confident | 77.9 | Confident | 207 Ų | 207 | 112.5 Ų | 112.5 | 78% | 0.781 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -75.9 | -39.5 | 173 | -81.8 | -173 | 173 | 179.1 | -1.3 | 112.5 | E11 E12 | E11-R15 PolarHBondContact O-N 3.32Å; E11-R15 VanDerWaalsContact O-N 3.08Å; E12-R15 PolarHBondContact O-N 2.76Å |
| 16 | C | 77.4 | Confident | 76.4 | Confident | 84 Ų | 84 | 113.9 Ų | 113.9 | 57% | 0.568 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -78.5 | -34.2 | -179.1 | -66.3 | 0 | 0 | 0 | 0 | 112.5 | E12 A18 T19 | E12-C16 PolarHBondContact O-N 2.91Å; E12-C16 PolarHBondContact O-SG 3.35Å; C16-A18 VanDerWaalsContact C-N 3.3Å; C16-A18 PolarHBondContact O-N 3.5Å; C16-T19 PolarHBondContact O-OG1 3.07Å |
| 17 | G | 64.6 | Low | 75 | Confident | 45 Ų | 45 | 116.2 Ų | 116.2 | 46% | 0.464 | 63% | 0.63 | S | S | . | * | G | 310 helix | trans | -75.3 | -7.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | A13 T19 | A13-G17 PolarHBondContact O-N 2.95Å; G17-T19 VanDerWaalsContact C-N 3.29Å; G17-T19 PolarHBondContact O-N 3.03Å |
| 18 | A | 59.6 | Low | 73.5 | Confident | 85 Ų | 85 | 116.3 Ų | 116.3 | 70% | 0.702 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -86.4 | 8.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | C16 | C16-A18 VanDerWaalsContact C-N 3.3Å; C16-A18 PolarHBondContact O-N 3.5Å |
| 19 | T | 59.6 | Low | 72.2 | Confident | 125 Ų | 125 | 113.9 Ų | 113.9 | 77% | 0.767 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -110.6 | 10 | 177.8 | 54.4 | 0 | 0 | 0 | 0 | 113.7 | C16 G17 S21 | C16-T19 PolarHBondContact O-OG1 3.07Å; G17-T19 VanDerWaalsContact C-N 3.29Å; G17-T19 PolarHBondContact O-N 3.03Å; T19-S21 PolarHBondContact O-N 3.38Å |
| 20 | E | 59.2 | Low | 70.8 | Confident | 165 Ų | 165 | 113.1 Ų | 113.1 | 77% | 0.771 | 65% | 0.648 | S | S | * | * | | | trans | -69.5 | 105.9 | 172 | -70.4 | -169.6 | 167.9 | 0 | 0 | 109.8 | I22 | E20-I22 PolarHBondContact O-N 2.95Š|
| 21 | S | 57.9 | Low | 70 | Confident | 73 Ų | 73 | 114.5 Ų | 114.5 | 51% | 0.51 | 67% | 0.667 | S | S | . | * | | | trans | -36.3 | 120.3 | 171.5 | 56.2 | 0 | 0 | 0 | 0 | 111.8 | T19 N23 | T19-S21 PolarHBondContact O-N 3.38Å; S21-N23 PolarHBondContact O-N 3.41Å |
| 22 | I | 60.3 | Low | 69.5 | Low | 164 Ų | 164 | 116.4 Ų | 116.4 | 84% | 0.841 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -2.1 | 180 | -63.7 | 170.1 | 0 | 0 | 0 | 112.5 | E20 | E20-I22 PolarHBondContact O-N 2.95Š|
| 23 | N | 66.4 | Low | 69.2 | Low | 141 Ų | 141 | 117.5 Ų | 117.5 | 75% | 0.754 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.1 | 15.7 | -179.9 | -86.2 | -31.8 | 0 | 0 | 0 | 116.7 | S21 V25 | S21-N23 PolarHBondContact O-N 3.41Å; N23-V25 PolarHBondContact O-N 3Å |
| 24 | G | 65.2 | Low | 69.2 | Low | 62 Ų | 62 | 119.5 Ų | 119.5 | 64% | 0.639 | 70% | 0.695 | S | S | * | * | S | Bend | trans | 61 | 3.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | P26 | G24-P26 WeakPolarHBondContact O-CD 3.49Š|
| 25 | V | 67.8 | Low | 69.3 | Low | 101 Ų | 101 | 118.3 Ų | 118.3 | 61% | 0.612 | 70% | 0.701 | S | S | * | * | | | trans | -89.8 | 115.6 | 170.4 | -176.3 | 0 | 0 | 0 | 0 | 106.6 | N23 L27 | N23-V25 PolarHBondContact O-N 3Å; V25-L27 PolarHBondContact O-N 3.45Å |
| 26 | P | 62.2 | Low | 69.7 | Low | 103 Ų | 103 | 116.6 Ų | 116.6 | 67% | 0.669 | 70% | 0.699 | S | S | * | * | | | trans | -53.9 | 114.9 | 168.2 | -18.2 | 29.8 | 0 | 0 | 0 | 107.3 | G24 D28 | G24-P26 WeakPolarHBondContact O-CD 3.49Å; P26-D28 VanDerWaalsContact C-N 3.34Å; P26-D28 PolarHBondContact O-N 3.14Å |
| 27 | L | 65.1 | Low | 70.5 | Confident | 154 Ų | 154 | 115.3 Ų | 115.3 | 81% | 0.806 | 70% | 0.701 | S | S | * | * | | | trans | -63.9 | 107.1 | 164.7 | -75.1 | 169.3 | 0 | 0 | 0 | 104.9 | V25 S29 | V25-L27 PolarHBondContact O-N 3.45Å; L27-S29 WeakPolarHBondContact O-CB 3.42Å; L27-S29 PolarHBondContact O-N 3.49Å; L27-S29 PolarHBondContact O-OG 3.23Å |
| 28 | D | 64.2 | Low | 71.8 | Confident | 141 Ų | 141 | 118.5 Ų | 118.5 | 75% | 0.754 | 71% | 0.713 | S | S | * | * | | | trans | -56.7 | 82.3 | 166.9 | -77.3 | -29 | 0 | 0 | 0 | 107.6 | P26 D30 | P26-D28 VanDerWaalsContact C-N 3.34Å; P26-D28 PolarHBondContact O-N 3.14Å; D28-D30 PolarHBondContact O-N 3.02Å; D28-D30 VanDerWaalsContact O-N 3.11Å |
| 29 | S | 64.8 | Low | 73.4 | Confident | 105 Ų | 105 | 121 Ų | 121 | 73% | 0.734 | 72% | 0.722 | S | S | * | * | | | trans | -87.2 | 38.6 | -174.3 | 46.9 | 0 | 0 | 0 | 0 | 110.4 | L27 G31 | L27-S29 WeakPolarHBondContact O-CB 3.42Å; L27-S29 PolarHBondContact O-N 3.49Å; L27-S29 PolarHBondContact O-OG 3.23Å; S29-G31 PolarHBondContact O-N 3.24Å |
| 30 | D | 64.9 | Low | 75.1 | Confident | 112 Ų | 112 | 121.1 Ų | 121.1 | 60% | 0.599 | 72% | 0.722 | S | S | * | * | | | trans | -64.8 | 82.3 | 152.3 | -74.2 | -17.1 | 0 | 0 | 0 | 105.5 | D28 T32 K33 | D28-D30 PolarHBondContact O-N 3.02Å; D28-D30 VanDerWaalsContact O-N 3.11Å; D30-T32 PolarHBondContact O-N 3.3Å; D30-T32 PolarHBondContact O-OG1 3.13Å; D30-K33 PolarHBondContact O-N 2.81Å |
| 31 | G | 73.9 | Confident | 76.7 | Confident | 82 Ų | 82 | 121.5 Ų | 121.5 | 85% | 0.845 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | 21.7 | -176 | 0 | 0 | 0 | 0 | 0 | 114.6 | S29 | S29-G31 PolarHBondContact O-N 3.24Š|
| 32 | T | 80.3 | Confident | 78.4 | Confident | 126 Ų | 126 | 125.3 Ų | 125.3 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | -14.4 | 176 | 46.6 | 0 | 0 | 0 | 0 | 112.7 | D30 | D30-T32 PolarHBondContact O-N 3.3Å; D30-T32 PolarHBondContact O-OG1 3.13Å |
| 33 | K | 83 | Confident | 79.7 | Confident | 152 Ų | 152 | 122.9 Ų | 122.9 | 66% | 0.661 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -87.3 | 126.7 | 177.2 | -68.4 | 177.5 | -173.9 | 166.2 | 0 | 111 | D30 | D30-K33 PolarHBondContact O-N 2.81Š|
| 34 | P | 86.6 | Confident | 80.4 | Confident | 105 Ų | 105 | 121.1 Ų | 121.1 | 68% | 0.682 | 72% | 0.721 | S | S | * | * | | | trans | -63.6 | 144.5 | 174.6 | 27.7 | -33.8 | 0 | 0 | 0 | 110.5 | F36 | P34-F36 PolarHBondContact O-N 2.94Š|
| 35 | I | 89.2 | Confident | 81 | Confident | 153 Ų | 153 | 126.9 Ų | 126.9 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -58.3 | -36.6 | 177.8 | -63.4 | 172.4 | 0 | 0 | 0 | 110.9 | | |
| 36 | F | 92.4 | Very high | 82.1 | Confident | 170 Ų | 170 | 127.5 Ų | 127.5 | 75% | 0.746 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -106.1 | 134.4 | 178.7 | -61.3 | -73.3 | 0 | 0 | 0 | 110.6 | P34 | P34-F36 PolarHBondContact O-N 2.94Š|
| 37 | G | 92.4 | Very high | 83.6 | Confident | 58 Ų | 58 | 126.7 Ų | 126.7 | 60% | 0.598 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 164.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 38 | P | 93.1 | Very high | 85.1 | Confident | 112 Ų | 112 | 123.6 Ų | 123.6 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 142.6 | 174 | 26.4 | -33.5 | 0 | 0 | 0 | 110.3 | V40 | P38-V40 PolarHBondContact O-N 3.26Š|
| 39 | P | 93.3 | Very high | 86.5 | Confident | 137 Ų | 137 | 121.7 Ų | 121.7 | 89% | 0.89 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 136.2 | 176.6 | -26 | 34.1 | 0 | 0 | 0 | 112.1 | | |
| 40 | V | 94.6 | Very high | 87.9 | Confident | 128 Ų | 128 | 120.4 Ų | 120.4 | 78% | 0.776 | 68% | 0.677 | S | S | * | * | | | trans | -107.8 | 135.2 | 179.7 | -177.1 | 0 | 0 | 0 | 0 | 109.6 | P38 I42 | P38-V40 PolarHBondContact O-N 3.26Å; V40-I42 PolarHBondContact O-N 2.93Å |
| 41 | K | 93.6 | Very high | 89.3 | Confident | 173 Ų | 173 | 121.3 Ų | 121.3 | 75% | 0.752 | 67% | 0.672 | S | S | * | * | | | trans | -70.3 | 118.3 | 174.9 | -67.4 | -170.9 | 177.3 | -168.7 | 0 | 109.9 | | |
| 42 | I | 92.8 | Very high | 90.4 | Very high | 152 Ų | 152 | 124.4 Ų | 124.4 | 78% | 0.779 | 66% | 0.662 | S | S | * | * | | | trans | -87.3 | 121.5 | 174.1 | -59.4 | 172.1 | 0 | 0 | 0 | 108 | V40 N44 | V40-I42 PolarHBondContact O-N 2.93Å; I42-N44 VanDerWaalsContact C-N 3.32Å; I42-N44 HydrophobicContact CG2-CB 3.9Å |
| 43 | C | 88.7 | Confident | 91.1 | Very high | 114 Ų | 114 | 122.7 Ų | 122.7 | 77% | 0.77 | 65% | 0.647 | S | S | * | * | | | trans | -91.4 | 10.5 | -178.7 | -64.4 | 0 | 0 | 0 | 0 | 113.5 | R45 | C43-R45 PolarHBondContact O-N 3.2Å; C43-R45 VanDerWaalsContact O-N 3.08Å |
| 44 | N | 80.7 | Confident | 91.7 | Very high | 103 Ų | 103 | 119.3 Ų | 119.3 | 55% | 0.551 | 63% | 0.634 | S | S | * | * | | | trans | -73.9 | 102.2 | -179.5 | -169.7 | -3.5 | 0 | 0 | 0 | 110.2 | I42 D46 | I42-N44 VanDerWaalsContact C-N 3.32Å; I42-N44 HydrophobicContact CG2-CB 3.9Å; N44-D46 VanDerWaalsContact C-N 3.28Å; N44-D46 PolarHBondContact O-N 3.21Å; N44-D46 PolarHBondContact OD1-N 3.17Å |
| 45 | R | 77.6 | Confident | 92.1 | Very high | 184 Ų | 184 | 123.2 Ų | 123.2 | 69% | 0.694 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 1.2 | -177.3 | -67.3 | -176.1 | 177.5 | 174.3 | -1.3 | 113.7 | C43 | C43-R45 PolarHBondContact O-N 3.2Å; C43-R45 VanDerWaalsContact O-N 3.08Å |
| 46 | D | 90.4 | Very high | 92.5 | Very high | 113 Ų | 113 | 120.4 Ų | 120.4 | 60% | 0.604 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -3.3 | -172.8 | -68.3 | -44.6 | 0 | 0 | 0 | 114.7 | N44 S48 R51 | N44-D46 VanDerWaalsContact C-N 3.28Å; N44-D46 PolarHBondContact O-N 3.21Å; N44-D46 PolarHBondContact OD1-N 3.17Å; D46-S48 PolarHBondContact O-N 3.47Å; D46-R51 PolarHBondContact O-NH2 3.48Å; D46-R51 IonicContact OD1-NH1 3.36Å |
| 47 | D | 93.9 | Very high | 92.6 | Very high | 86 Ų | 86 | 118 Ų | 118 | 46% | 0.46 | 63% | 0.627 | S | S | . | * | | | trans | -66.3 | 126.6 | 173.8 | -169.7 | -6.7 | 0 | 0 | 0 | 110.5 | L49 H50 R51 | D47-L49 PolarHBondContact O-N 2.76Å; D47-L49 PolarHBondContact OD1-N 3.18Å; D47-L49 VanDerWaalsContact OD1-N 3.08Å; D47-H50 HydrophobicContact CB-CB 3.87Å; D47-H50 PolarHBondContact O-N 2.94Å; D47-R51 PolarHBondContact O-N 3.02Å |
| 48 | S | 95.6 | Very high | 92.8 | Very high | 90 Ų | 90 | 117 Ų | 117 | 63% | 0.629 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -61.9 | -34.2 | 178.7 | 61 | 0 | 0 | 0 | 0 | 111.2 | D46 R51 K52 | D46-S48 PolarHBondContact O-N 3.47Å; S48-R51 PolarHBondContact O-N 2.96Å; S48-K52 WeakPolarHBondContact O-CB 3.33Å; S48-K52 PolarHBondContact O-N 2.98Å |
| 49 | L | 95.4 | Very high | 92.8 | Very high | 100 Ų | 100 | 114.6 Ų | 114.6 | 52% | 0.524 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.8 | -46.2 | 175 | -179.4 | 62.7 | 0 | 0 | 0 | 111 | D47 R51 K52 L53 | D47-L49 PolarHBondContact O-N 2.76Å; D47-L49 PolarHBondContact OD1-N 3.18Å; D47-L49 VanDerWaalsContact OD1-N 3.08Å; L49-R51 VanDerWaalsContact C-N 3.31Å; L49-R51 PolarHBondContact O-N 3.49Å; L49-K52 PolarHBondContact O-N 3.44Å; L49-L53 HydrophobicContact CD1-CD1 4.26Å; L49-L53 HydrophobicContact CD1-CG 4.26Å; L49-L53 HydrophobicContact CG-CD1 4.05Å; L49-L53 HydrophobicContact CG-CG 4.46Å; L49-L53 WeakPolarHBondContact O-CB 3.36Å; L49-L53 WeakPolarHBondContact O-CG 3.23Å; L49-L53 PolarHBondContact O-N 3.35Å |
| 50 | H | 93.9 | Very high | 92.8 | Very high | 79 Ų | 79 | 114.2 Ų | 114.2 | 37% | 0.366 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -57.3 | -45.4 | 176.1 | 179.9 | 73.7 | 0 | 0 | 0 | 111.3 | D47 K52 L53 Q54 | D47-H50 HydrophobicContact CB-CB 3.87Å; D47-H50 PolarHBondContact O-N 2.94Å; H50-K52 PolarHBondContact O-N 3.27Å; H50-L53 PolarHBondContact O-N 3.25Å; H50-Q54 VanDerWaalsContact O-CB 3.3Å; H50-Q54 WeakPolarHBondContact O-CB 3.27Å; H50-Q54 PolarHBondContact O-N 2.89Å |
| 51 | R | 94.8 | Very high | 92.8 | Very high | 130 Ų | 130 | 112.8 Ų | 112.8 | 49% | 0.491 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.9 | -40.7 | 176.5 | -73.6 | -171.4 | -86.6 | -142.2 | -1.2 | 112.8 | D46 D47 S48 L49 K55 | D46-R51 PolarHBondContact O-NH2 3.48Å; D46-R51 IonicContact OD1-NH1 3.36Å; D47-R51 PolarHBondContact O-N 3.02Å; S48-R51 PolarHBondContact O-N 2.96Å; L49-R51 VanDerWaalsContact C-N 3.31Å; L49-R51 PolarHBondContact O-N 3.49Å; R51-K55 WeakPolarHBondContact O-CB 3.23Å; R51-K55 PolarHBondContact O-N 2.94Å |
| 52 | K | 96.5 | Very high | 92.7 | Very high | 148 Ų | 148 | 109.8 Ų | 109.8 | 64% | 0.643 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64.9 | -47.1 | 176.6 | -170 | 176.2 | -179.2 | -178.8 | 0 | 111.1 | S48 L49 H50 K55 C56 | S48-K52 WeakPolarHBondContact O-CB 3.33Å; S48-K52 PolarHBondContact O-N 2.98Å; L49-K52 PolarHBondContact O-N 3.44Å; H50-K52 PolarHBondContact O-N 3.27Å; K52-K55 PolarHBondContact O-N 3.13Å; K52-C56 PolarHBondContact O-N 2.9Å; K52-C56 PolarHBondContact O-SG 3.21Å; K52-C56 VanDerWaalsContact O-SG 3.33Å |
| 53 | L | 95.3 | Very high | 92.7 | Very high | 89 Ų | 89 | 105 Ų | 105 | 47% | 0.466 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.2 | -45.9 | 177.9 | -71.6 | 173.3 | 0 | 0 | 0 | 111.9 | L49 H50 K55 C56 L57 | L49-L53 HydrophobicContact CD1-CD1 4.26Å; L49-L53 HydrophobicContact CD1-CG 4.26Å; L49-L53 HydrophobicContact CG-CD1 4.05Å; L49-L53 HydrophobicContact CG-CG 4.46Å; L49-L53 WeakPolarHBondContact O-CB 3.36Å; L49-L53 WeakPolarHBondContact O-CG 3.23Å; L49-L53 PolarHBondContact O-N 3.35Å; H50-L53 PolarHBondContact O-N 3.25Å; L53-K55 VanDerWaalsContact C-N 3.28Å; L53-K55 PolarHBondContact O-N 3.44Å; L53-C56 PolarHBondContact O-N 3.01Å; L53-L57 HydrophobicContact CD2-CD1 4.46Å; L53-L57 WeakPolarHBondContact O-CB 3.42Å; L53-L57 PolarHBondContact O-N 2.78Å |
| 54 | Q | 94.3 | Very high | 92.9 | Very high | 81 Ų | 81 | 100.8 Ų | 100.8 | 38% | 0.379 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63 | -35 | 177.2 | -170 | 178.9 | 24.7 | 0 | 0 | 111.9 | H50 G58 | H50-Q54 VanDerWaalsContact O-CB 3.3Å; H50-Q54 WeakPolarHBondContact O-CB 3.27Å; H50-Q54 PolarHBondContact O-N 2.89Å; Q54-G58 CarbonylContact O-C 3.43Å; Q54-G58 WeakPolarHBondContact O-CA 3.26Å; Q54-G58 PolarHBondContact O-N 3.46Å |
| 55 | K | 96.4 | Very high | 93.4 | Very high | 187 Ų | 187 | 97.4 Ų | 97.4 | 81% | 0.813 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.4 | -39 | 175.3 | -172 | 179.8 | 179.6 | -175.3 | 0 | 112.4 | R51 K52 L53 | R51-K55 WeakPolarHBondContact O-CB 3.23Å; R51-K55 PolarHBondContact O-N 2.94Å; K52-K55 PolarHBondContact O-N 3.13Å; L53-K55 VanDerWaalsContact C-N 3.28Å; L53-K55 PolarHBondContact O-N 3.44Å |
| 56 | C | 96.5 | Very high | 94 | Very high | 94 Ų | 94 | 92.6 Ų | 92.6 | 64% | 0.635 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -78.3 | -39.1 | -178.6 | -68.6 | 0 | 0 | 0 | 0 | 113.1 | K52 L53 | K52-C56 PolarHBondContact O-N 2.9Å; K52-C56 PolarHBondContact O-SG 3.21Å; K52-C56 VanDerWaalsContact O-SG 3.33Å; L53-C56 PolarHBondContact O-N 3.01Å |
| 57 | L | 95.4 | Very high | 94 | Very high | 120 Ų | 120 | 88.7 Ų | 88.7 | 63% | 0.628 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -107.9 | -9.4 | -171.2 | -58 | 177.5 | 0 | 0 | 0 | 113.7 | L53 | L53-L57 HydrophobicContact CD2-CD1 4.46Å; L53-L57 WeakPolarHBondContact O-CB 3.42Å; L53-L57 PolarHBondContact O-N 2.78Å |
| 58 | G | 95.1 | Very high | 93.7 | Very high | 36 Ų | 36 | 87.6 Ų | 87.6 | 37% | 0.371 | 46% | 0.455 | S | S | . | . | | | trans | 81.7 | -168.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q54 | Q54-G58 CarbonylContact O-C 3.43Å; Q54-G58 WeakPolarHBondContact O-CA 3.26Å; Q54-G58 PolarHBondContact O-N 3.46Å |
| 59 | N | 94.5 | Very high | 93 | Very high | 63 Ų | 63 | 88.8 Ų | 88.8 | 34% | 0.337 | 45% | 0.448 | S | S | . | . | | | trans | -76.9 | 125.5 | 178 | -177.7 | 13 | 0 | 0 | 0 | 110.4 | D61 D62 V63 | N59-D61 VanDerWaalsContact C-N 3.27Å; N59-D61 PolarHBondContact O-N 2.68Å; N59-D61 PolarHBondContact OD1-N 2.94Å; N59-D62 WeakPolarHBondContact CB-OD2 3.47Å; N59-D62 PolarHBondContact ND2-OD2 3.24Å; N59-D62 PolarHBondContact O-N 2.85Å; N59-D62 VanDerWaalsContact O-N 3.13Å; N59-V63 PolarHBondContact O-N 3.27Å |
| 60 | F | 93.7 | Very high | 92.2 | Very high | 128 Ų | 128 | 89.5 Ų | 89.5 | 56% | 0.561 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -58.5 | -37.7 | -177.7 | 178.1 | -98.3 | 0 | 0 | 0 | 112.6 | D62 V63 S64 F68 | F60-D62 PolarHBondContact O-N 3.47Å; F60-V63 PolarHBondContact O-N 2.76Å; F60-S64 WeakPolarHBondContact O-CA 3.37Å; F60-S64 WeakPolarHBondContact O-CB 3.16Å; F60-S64 PolarHBondContact O-N 3.25Å; F60-S64 PolarHBondContact O-OG 3.43Å; F60-F68 HydrophobicContact CE2-CE2 4.5Å; F60-F68 HydrophobicContact CZ-CE2 4.01Å |
| 61 | D | 93.2 | Very high | 91.2 | Very high | 99 Ų | 99 | 89.5 Ų | 89.5 | 53% | 0.529 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62 | -34.9 | -179.3 | -69.7 | -38.3 | 0 | 0 | 0 | 111.5 | N59 S64 | N59-D61 VanDerWaalsContact C-N 3.27Å; N59-D61 PolarHBondContact O-N 2.68Å; N59-D61 PolarHBondContact OD1-N 2.94Å; D61-S64 PolarHBondContact O-OG 3.49Å |
| 62 | D | 93.1 | Very high | 89.8 | Confident | 109 Ų | 109 | 91.6 Ų | 91.6 | 58% | 0.583 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -74 | -37.5 | 178.5 | -59.1 | -31.1 | 0 | 0 | 0 | 112 | N59 F60 Y66 | N59-D62 WeakPolarHBondContact CB-OD2 3.47Å; N59-D62 PolarHBondContact ND2-OD2 3.24Å; N59-D62 PolarHBondContact O-N 2.85Å; N59-D62 VanDerWaalsContact O-N 3.13Å; F60-D62 PolarHBondContact O-N 3.47Å; D62-Y66 WeakPolarHBondContact O-CD2 3.12Å; D62-Y66 WeakPolarHBondContact O-CE2 3.5Å |
| 63 | V | 91.1 | Very high | 88 | Confident | 52 Ų | 52 | 92 Ų | 92 | 32% | 0.315 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -82.8 | -32.5 | -177.7 | -177.7 | 0 | 0 | 0 | 0 | 112.1 | N59 F60 G65 Y66 L67 | N59-V63 PolarHBondContact O-N 3.27Å; F60-V63 PolarHBondContact O-N 2.76Å; V63-G65 PolarHBondContact O-N 3.03Å; V63-Y66 WeakPolarHBondContact O-CB 3.42Å; V63-Y66 PolarHBondContact O-N 3.42Å; V63-L67 HydrophobicContact CG1-CD1 4.08Å; V63-L67 HydrophobicContact CG1-CG 4.17Å; V63-L67 PolarHBondContact O-N 3.24Å; V63-L67 VanDerWaalsContact O-N 3.17Å |
| 64 | S | 92.8 | Very high | 86.1 | Confident | 25 Ų | 25 | 92.1 Ų | 92.1 | 18% | 0.175 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -58.6 | -34.7 | -176.4 | 68.1 | 0 | 0 | 0 | 0 | 112.4 | F60 D61 Y66 L67 F68 | F60-S64 WeakPolarHBondContact O-CA 3.37Å; F60-S64 WeakPolarHBondContact O-CB 3.16Å; F60-S64 PolarHBondContact O-N 3.25Å; F60-S64 PolarHBondContact O-OG 3.43Å; D61-S64 PolarHBondContact O-OG 3.49Å; S64-Y66 VanDerWaalsContact C-N 3.25Å; S64-Y66 PolarHBondContact O-N 3.25Å; S64-L67 PolarHBondContact O-N 2.99Å; S64-F68 VanDerWaalsContact O-CD2 3.23Å; S64-F68 WeakPolarHBondContact O-CD2 3.42Å; S64-F68 PolarHBondContact O-N 2.96Å |
| 65 | G | 91.6 | Very high | 84.5 | Confident | 33 Ų | 33 | 92.6 Ų | 92.6 | 34% | 0.34 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.8 | -34.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V63 K69 | V63-G65 PolarHBondContact O-N 3.03Å; G65-K69 WeakPolarHBondContact O-CB 3.23Å; G65-K69 WeakPolarHBondContact O-CD 3.3Å; G65-K69 WeakPolarHBondContact O-CE 3.5Å; G65-K69 WeakPolarHBondContact O-CG 3.28Å; G65-K69 PolarHBondContact O-N 3.07Å |
| 66 | Y | 90 | Very high | 82.4 | Confident | 82 Ų | 82 | 94.1 Ų | 94.1 | 32% | 0.322 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -80.5 | -32 | 176.7 | -62.4 | -86.3 | 0 | 0 | 0 | 112.7 | D62 V63 S64 P158 R173 | D62-Y66 WeakPolarHBondContact O-CD2 3.12Å; D62-Y66 WeakPolarHBondContact O-CE2 3.5Å; V63-Y66 WeakPolarHBondContact O-CB 3.42Å; V63-Y66 PolarHBondContact O-N 3.42Å; S64-Y66 VanDerWaalsContact C-N 3.25Å; S64-Y66 PolarHBondContact O-N 3.25Å; Y66-P158 HydrophobicContact CE1-CB 4.28Å; Y66-P158 HydrophobicContact CE1-CG 4.35Å; Y66-R173 PolarHBondContact O-NH2 3.21Å |
| 67 | L | 90 | Very high | 80.2 | Confident | 32 Ų | 32 | 93 Ų | 93 | 17% | 0.168 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -71.9 | -41.3 | 178.6 | -66.9 | 175 | 0 | 0 | 0 | 111.8 | V63 S64 | V63-L67 HydrophobicContact CG1-CD1 4.08Å; V63-L67 HydrophobicContact CG1-CG 4.17Å; V63-L67 PolarHBondContact O-N 3.24Å; V63-L67 VanDerWaalsContact O-N 3.17Å; S64-L67 PolarHBondContact O-N 2.99Å |
| 68 | F | 87.9 | Confident | 78 | Confident | 62 Ų | 62 | 94.8 Ų | 94.8 | 27% | 0.272 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -110.8 | 10.3 | -169.9 | -53.2 | -61.8 | 0 | 0 | 0 | 114.7 | F60 S64 D70 M71 Y73 | F60-F68 HydrophobicContact CE2-CE2 4.5Å; F60-F68 HydrophobicContact CZ-CE2 4.01Å; S64-F68 VanDerWaalsContact O-CD2 3.23Å; S64-F68 WeakPolarHBondContact O-CD2 3.42Å; S64-F68 PolarHBondContact O-N 2.96Å; F68-D70 PolarHBondContact O-N 3.37Å; F68-M71 HydrophobicContact CB-CB 4.21Å; F68-M71 HydrophobicContact CD1-CB 4.31Å; F68-M71 HydrophobicContact CD1-CE 3.46Å; F68-M71 VanDerWaalsContact CD1-CE 3.46Å; F68-M71 HydrophobicContact CD1-SD 3.78Å; F68-M71 HydrophobicContact CE1-CE 3.78Å; F68-M71 HydrophobicContact CE1-SD 4.22Å; F68-M71 PolarHBondContact O-N 3.25Å; F68-Y73 HydrophobicContact CD1-CE2 4.49Å |
| 69 | K | 81.6 | Confident | 75.7 | Confident | 115 Ų | 115 | 101.4 Ų | 101.4 | 50% | 0.5 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -30.7 | -179.4 | -114.7 | 158.6 | -160.4 | -179.3 | 0 | 113.9 | G65 | G65-K69 WeakPolarHBondContact O-CB 3.23Å; G65-K69 WeakPolarHBondContact O-CD 3.3Å; G65-K69 WeakPolarHBondContact O-CE 3.5Å; G65-K69 WeakPolarHBondContact O-CG 3.28Å; G65-K69 PolarHBondContact O-N 3.07Å |
| 70 | D | 79.6 | Confident | 73.5 | Confident | 115 Ų | 115 | 105.2 Ų | 105.2 | 62% | 0.615 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | -6.6 | 178.9 | -50.5 | -48.6 | 0 | 0 | 0 | 113.1 | F68 H72 R173 | F68-D70 PolarHBondContact O-N 3.37Å; D70-H72 PolarHBondContact O-N 3.01Å; D70-R173 IonicContact OD2-CZ 3.81Å; D70-R173 IonicContact OD2-NH1 3.03Å; D70-R173 PolarHBondContact OD2-NH1 2.87Å; D70-R173 IonicContact OD2-NH2 3.72Å |
| 71 | M | 72.6 | Confident | 71.4 | Confident | 80 Ų | 80 | 104.2 Ų | 104.2 | 39% | 0.394 | 56% | 0.564 | S | S | . | * | | | trans | -90.6 | 84.8 | 177.6 | -87.6 | -176.6 | 36.3 | 0 | 0 | 109.8 | F68 Y73 | F68-M71 HydrophobicContact CB-CB 4.21Å; F68-M71 HydrophobicContact CD1-CB 4.31Å; F68-M71 HydrophobicContact CD1-CE 3.46Å; F68-M71 VanDerWaalsContact CD1-CE 3.46Å; F68-M71 HydrophobicContact CD1-SD 3.78Å; F68-M71 HydrophobicContact CE1-CE 3.78Å; F68-M71 HydrophobicContact CE1-SD 4.22Å; F68-M71 PolarHBondContact O-N 3.25Å; M71-Y73 HydrophobicContact CE-CE2 3.63Å; M71-Y73 WeakPolarHBondContact CE-OH 3.33Å; M71-Y73 PolarHBondContact O-N 2.88Å |
| 72 | H | 63.8 | Low | 69.4 | Low | 174 Ų | 174 | 104.5 Ų | 104.5 | 81% | 0.806 | 57% | 0.569 | S | S | * | * | | | trans | -65 | 98.9 | 166.6 | -67.9 | -70.9 | 0 | 0 | 0 | 109.7 | D70 S74 | D70-H72 PolarHBondContact O-N 3.01Å; H72-S74 PolarHBondContact O-N 3.22Å |
| 73 | Y | 59.4 | Low | 67.1 | Low | 155 Ų | 155 | 102.3 Ų | 102.3 | 61% | 0.608 | 57% | 0.572 | S | S | * | * | | | trans | -65.8 | 80.7 | 163.5 | -80 | -87.9 | 0 | 0 | 0 | 108.8 | F68 M71 G75 M78 | F68-Y73 HydrophobicContact CD1-CE2 4.49Å; M71-Y73 HydrophobicContact CE-CE2 3.63Å; M71-Y73 WeakPolarHBondContact CE-OH 3.33Å; M71-Y73 PolarHBondContact O-N 2.88Å; Y73-G75 PolarHBondContact O-N 3.33Å; Y73-M78 HydrophobicContact CE1-CE 4.36Å |
| 74 | S | 56.3 | Low | 65.2 | Low | 93 Ų | 93 | 107.2 Ų | 107.2 | 65% | 0.65 | 60% | 0.596 | S | S | * | * | | | trans | -65.9 | 117.3 | 161.6 | -168.8 | 0 | 0 | 0 | 0 | 106.3 | H72 R76 | H72-S74 PolarHBondContact O-N 3.22Å; S74-R76 CarbonylContact O-C 3.59Å; S74-R76 PolarHBondContact O-N 2.98Å |
| 75 | G | 60.2 | Low | 63.1 | Low | 90 Ų | 90 | 113.5 Ų | 113.5 | 93% | 0.928 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -64.5 | 18.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y73 | Y73-G75 PolarHBondContact O-N 3.33Š|
| 76 | R | 52.3 | Low | 60.9 | Low | 220 Ų | 220 | 117.8 Ų | 117.8 | 83% | 0.83 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -101 | 126.8 | 163 | -73.7 | 179.5 | -165.3 | -116.2 | -2.2 | 106.3 | S74 | S74-R76 CarbonylContact O-C 3.59Å; S74-R76 PolarHBondContact O-N 2.98Å |
| 77 | G | 48.9 | Very low | 58.6 | Low | 70 Ų | 70 | 119.7 Ų | 119.7 | 72% | 0.722 | 68% | 0.676 | S | S | * | * | | | trans | -32.4 | 145 | -166.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | E79 | G77-E79 VanDerWaalsContact C-N 3.28Å; G77-E79 PolarHBondContact O-N 3.24Å |
| 78 | M | 49.5 | Very low | 56.1 | Low | 158 Ų | 158 | 125.7 Ų | 125.7 | 78% | 0.778 | 71% | 0.708 | S | S | * | * | | | trans | -44.4 | 83.1 | -179.8 | -74.2 | -178.2 | 170.7 | 0 | 0 | 113.4 | Y73 L80 | Y73-M78 HydrophobicContact CE1-CE 4.36Å; M78-L80 PolarHBondContact O-N 2.76Å |
| 79 | E | 47.3 | Very low | 54 | Low | 174 Ų | 174 | 128.4 Ų | 128.4 | 81% | 0.813 | 73% | 0.729 | S | S | * | * | | | trans | -89.1 | 90.8 | 151.1 | -74.4 | -171.3 | 165.6 | 0 | 0 | 105.2 | G77 S81 | G77-E79 VanDerWaalsContact C-N 3.28Å; G77-E79 PolarHBondContact O-N 3.24Å; E79-S81 PolarHBondContact O-N 3.02Å; E79-S81 PolarHBondContact O-OG 3.11Å |
| 80 | L | 48.7 | Very low | 52.1 | Low | 144 Ų | 144 | 133.9 Ų | 133.9 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | | | trans | -60.9 | 88.3 | 166.2 | -70.3 | 172.5 | 0 | 0 | 0 | 107.2 | M78 V82 | M78-L80 PolarHBondContact O-N 2.76Å; L80-V82 PolarHBondContact O-N 3.19Å |
| 81 | S | 48.6 | Very low | 50.4 | Low | 107 Ų | 107 | 134.9 Ų | 134.9 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | | | trans | -71.6 | 89 | 168.1 | -54.5 | 0 | 0 | 0 | 0 | 106 | E79 G83 | E79-S81 PolarHBondContact O-N 3.02Å; E79-S81 PolarHBondContact O-OG 3.11Å; S81-G83 PolarHBondContact O-N 3.31Å |
| 82 | V | 51.2 | Low | 48.9 | Very low | 104 Ų | 104 | 134.4 Ų | 134.4 | 63% | 0.63 | 77% | 0.772 | S | S | * | * | | | trans | -67.6 | 86.6 | 167.4 | -175.2 | 0 | 0 | 0 | 0 | 106.3 | L80 L84 | L80-V82 PolarHBondContact O-N 3.19Å; V82-L84 VanDerWaalsContact C-N 3.34Å; V82-L84 HydrophobicContact CG1-CD2 4.49Å; V82-L84 HydrophobicContact CG1-CG 4.19Å; V82-L84 PolarHBondContact O-N 3.49Å |
| 83 | G | 45.8 | Very low | 47.9 | Very low | 63 Ų | 63 | 131.8 Ų | 131.8 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | | | trans | -66.3 | 95.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | S81 D85 | S81-G83 PolarHBondContact O-N 3.31Å; G83-D85 PolarHBondContact O-N 3.17Å |
| 84 | L | 51.6 | Low | 47.2 | Very low | 156 Ų | 156 | 136 Ų | 136 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | | | trans | -70.4 | 34.6 | 174.4 | -83.3 | 167.3 | 0 | 0 | 0 | 113 | V82 C86 | V82-L84 VanDerWaalsContact C-N 3.34Å; V82-L84 HydrophobicContact CG1-CD2 4.49Å; V82-L84 HydrophobicContact CG1-CG 4.19Å; V82-L84 PolarHBondContact O-N 3.49Å; L84-C86 PolarHBondContact O-N 2.9Å |
| 85 | D | 47.3 | Very low | 46.6 | Very low | 157 Ų | 157 | 137.3 Ų | 137.3 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | | | trans | -104.3 | 51.2 | 179.6 | -68.6 | -22.9 | 0 | 0 | 0 | 111.1 | G83 | G83-D85 PolarHBondContact O-N 3.17Š|
| 86 | C | 46.8 | Very low | 45.9 | Very low | 123 Ų | 123 | 144 Ų | 144 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | | | trans | -115.8 | 73.5 | 161.2 | -85.3 | 0 | 0 | 0 | 0 | 108.6 | L84 L88 | L84-C86 PolarHBondContact O-N 2.9Å; C86-L88 PolarHBondContact O-N 3.09Å |
| 87 | S | 41 | Very low | 45.7 | Very low | 121 Ų | 121 | 141.7 Ų | 141.7 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | | | trans | -64.5 | 94.8 | 169.1 | 57.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 88 | L | 38.3 | Very low | 45.5 | Very low | 158 Ų | 158 | 145 Ų | 145 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | | | trans | -61.2 | 153.5 | 150.7 | -164.5 | 79.8 | 0 | 0 | 0 | 108.5 | C86 | C86-L88 PolarHBondContact O-N 3.09Š|
| 89 | V | 43.7 | Very low | 45.8 | Very low | 120 Ų | 120 | 143.6 Ų | 143.6 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | trans | 90 | 99.6 | 174 | -166.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 90 | R | 41.3 | Very low | 45.6 | Very low | 230 Ų | 230 | 142.9 Ų | 142.9 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | | | | -178.4 | 126.4 | 84 | -141.5 | 158.3 | 167.4 | -176.9 | -5 | 111.3 | | |
| 91 | T | 43.1 | Very low | 46 | Very low | 136 Ų | 136 | 143.8 Ų | 143.8 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | | | trans | -62.2 | 142.2 | 166.1 | 42.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 92 | G | 42.4 | Very low | 46 | Very low | 69 Ų | 69 | 146.7 Ų | 146.7 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | | | trans | 50.7 | 111.5 | 146.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 93 | S | 42.9 | Very low | 46 | Very low | 119 Ų | 119 | 145.5 Ų | 145.5 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | | | | 166.8 | 117.7 | 110.6 | -74.2 | 0 | 0 | 0 | 0 | 112 | | |
| 94 | R | 44 | Very low | 46 | Very low | 245 Ų | 245 | 148.8 Ų | 148.8 | 93% | 0.925 | 83% | 0.825 | S | S | * | * | | | trans | 31.7 | 122.7 | 134.4 | -74 | -178.4 | 160.2 | -172.4 | -4.5 | 119.5 | | |
| 95 | S | 44.2 | Very low | 46.1 | Very low | 120 Ų | 120 | 149.9 Ų | 149.9 | 84% | 0.839 | 83% | 0.828 | S | S | * | * | | | | 125.9 | 132.4 | 114.3 | -161.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 96 | R | 44 | Very low | 46.1 | Very low | 230 Ų | 230 | 146.4 Ų | 146.4 | 87% | 0.868 | 82% | 0.821 | S | S | * | * | | | trans | -64.3 | 146.6 | -178.6 | -59.8 | 168.8 | 169.5 | -178.8 | -4.5 | 111.2 | | |
| 97 | L | 49.3 | Very low | 46.8 | Very low | 171 Ų | 171 | 147.7 Ų | 147.7 | 90% | 0.895 | 83% | 0.825 | S | S | * | * | | | | -173 | 138.4 | 121.3 | -98.6 | 160.3 | 0 | 0 | 0 | 111.7 | | |
| 98 | N | 44.9 | Very low | 47.1 | Very low | 139 Ų | 139 | 152.2 Ų | 152.2 | 74% | 0.743 | 83% | 0.829 | S | S | * | * | | | trans | -97.1 | 122.4 | -176.5 | -166.6 | 18.9 | 0 | 0 | 0 | 107.5 | | |
| 99 | V | 56.1 | Low | 47.8 | Very low | 130 Ų | 130 | 148.4 Ų | 148.4 | 79% | 0.788 | 83% | 0.829 | S | S | * | * | | | trans | -145.5 | 114.7 | 167.7 | 178.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 100 | H | 43.3 | Very low | 48.3 | Very low | 158 Ų | 158 | 151 Ų | 151 | 73% | 0.731 | 83% | 0.833 | S | S | * | * | | | trans | -65.5 | 150.3 | 164.3 | -72.6 | -24.1 | 0 | 0 | 0 | 111.7 | | |
| 101 | N | 56.7 | Low | 48.6 | Very low | 164 Ų | 164 | 145.8 Ų | 145.8 | 88% | 0.877 | 83% | 0.827 | S | S | * | * | | | | -170.9 | 136.2 | 130 | -93 | -23.7 | 0 | 0 | 0 | 112.8 | | |
| 102 | N | 47.8 | Very low | 49.2 | Very low | 168 Ų | 168 | 144.4 Ų | 144.4 | 90% | 0.898 | 82% | 0.822 | S | S | * | * | | | trans | -73.4 | 152.1 | 173.1 | -67.5 | -31.9 | 0 | 0 | 0 | 111.6 | | |
| 103 | G | 52.1 | Low | 49.6 | Very low | 79 Ų | 79 | 152 Ų | 152 | 81% | 0.814 | 83% | 0.83 | S | S | * | * | | | trans | -168.8 | 88.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 104 | T | 45.8 | Very low | 49.8 | Very low | 131 Ų | 131 | 156.7 Ų | 156.7 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | | | trans | -68.5 | 140.5 | 169.7 | -49.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 105 | M | 52.7 | Low | 49.9 | Very low | 180 Ų | 180 | 150.7 Ų | 150.7 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | | | | 166.8 | 144.7 | 125.8 | -87.3 | -71.3 | -134.3 | 0 | 0 | 113.6 | | |
| 106 | A | 47.5 | Very low | 50.2 | Low | 84 Ų | 84 | 153.9 Ų | 153.9 | 69% | 0.694 | 82% | 0.819 | S | S | * | * | | | trans | -57.6 | 156.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 107 | T | 60.7 | Low | 51 | Low | 150 Ų | 150 | 149.7 Ų | 149.7 | 92% | 0.92 | 81% | 0.814 | S | S | * | * | | | | -157 | 141.1 | 126.6 | 42.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 108 | K | 48.8 | Very low | 51.1 | Low | 215 Ų | 215 | 148.3 Ų | 148.3 | 94% | 0.935 | 81% | 0.807 | S | S | * | * | | | trans | -69.2 | 151 | -178.1 | -73.7 | 166.5 | 170 | 170.8 | 0 | 113.8 | | |
| 109 | G | 53.5 | Low | 51.1 | Low | 79 Ų | 79 | 148.9 Ų | 148.9 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | | | trans | -146.2 | 138.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 110 | H | 52.2 | Low | 50.8 | Low | 175 Ų | 175 | 149.1 Ų | 149.1 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | | | trans | -85.5 | 142.2 | -154.5 | -104.3 | -91.6 | 0 | 0 | 0 | 117.9 | | |
| 111 | T | 48.6 | Very low | 50.8 | Low | 120 Ų | 120 | 150 Ų | 150 | 74% | 0.736 | 82% | 0.819 | S | S | * | * | | | trans | 35.3 | 129.1 | 134 | 61.1 | 0 | 0 | 0 | 0 | 123.6 | | |
| 112 | S | 54.9 | Low | 50.4 | Low | 107 Ų | 107 | 153.6 Ų | 153.6 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | | | | -170.3 | 111.4 | 128.7 | -152.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 113 | R | 51.8 | Low | 50.2 | Low | 229 Ų | 229 | 150.3 Ų | 150.3 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | | | | 46.2 | 135.5 | 110 | -70.5 | -172.7 | -176.8 | -172.8 | 2.9 | 114.1 | | |
| 114 | R | 46.6 | Very low | 49.7 | Very low | 216 Ų | 216 | 151.7 Ų | 151.7 | 82% | 0.815 | 81% | 0.808 | S | S | * | * | | | cis | -178.2 | 145.2 | 20.8 | -155 | 176.1 | -177 | 170.8 | -2.5 | 102.4 | | |
| 115 | T | 47 | Very low | 50 | Low | 120 Ų | 120 | 152.6 Ų | 152.6 | 74% | 0.736 | 81% | 0.813 | S | S | * | * | | | | 169.7 | 136 | 73 | -38.5 | 0 | 0 | 0 | 0 | 106.8 | | |
| 116 | K | 49.4 | Very low | 49.5 | Very low | 187 Ų | 187 | 148.9 Ų | 148.9 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | | | trans | -97 | 155 | 169.4 | -75 | 175.4 | 172.4 | 175.8 | 0 | 109.3 | | |
| 117 | N | 62 | Low | 49.7 | Very low | 142 Ų | 142 | 151 Ų | 151 | 76% | 0.759 | 82% | 0.821 | S | S | * | * | | | trans | -171.3 | 107 | 146.5 | -78.3 | -24.6 | 0 | 0 | 0 | 107.2 | | |
| 118 | N | 49.8 | Very low | 48.7 | Very low | 141 Ų | 141 | 148.2 Ų | 148.2 | 75% | 0.754 | 81% | 0.812 | S | S | * | * | | | | 65.9 | 106.2 | 93.8 | -63.8 | -17.9 | 0 | 0 | 0 | 113.3 | | |
| 119 | L | 46.2 | Very low | 48.8 | Very low | 151 Ų | 151 | 144 Ų | 144 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | | | | 85.8 | 109.6 | 82.7 | -169.3 | 77.1 | 0 | 0 | 0 | 112.5 | | |
| 120 | C | 49.5 | Very low | 48.7 | Very low | 136 Ų | 136 | 145.1 Ų | 145.1 | 92% | 0.919 | 81% | 0.806 | S | S | * | * | | | trans | -162.4 | 120 | 149.6 | -105.3 | 0 | 0 | 0 | 0 | 112 | | |
| 121 | H | 43.6 | Very low | 48.3 | Very low | 176 Ų | 176 | 140.9 Ų | 140.9 | 82% | 0.815 | 80% | 0.801 | S | S | * | * | | | trans | -93.1 | 144.2 | 166.1 | -86.1 | -78.2 | 0 | 0 | 0 | 110.1 | | |
| 122 | R | 47.2 | Very low | 48.5 | Very low | 240 Ų | 240 | 146.3 Ų | 146.3 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | | | trans | -177.8 | 103.3 | 146 | -106.8 | 179.1 | 170.3 | -158 | -3.4 | 108.8 | | |
| 123 | S | 44.2 | Very low | 47.9 | Very low | 98 Ų | 98 | 152 Ų | 152 | 69% | 0.685 | 81% | 0.813 | S | S | * | * | | | | 73.3 | 101.5 | 90.1 | 83.3 | 0 | 0 | 0 | 0 | 115.6 | | |
| 124 | S | 41.3 | Very low | 48.1 | Very low | 108 Ų | 108 | 149 Ų | 149 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | | | trans | 35 | 124.4 | 130.2 | 61.1 | 0 | 0 | 0 | 0 | 120.7 | | |
| 125 | V | 52.5 | Low | 47.9 | Very low | 151 Ų | 151 | 147.4 Ų | 147.4 | 92% | 0.915 | 81% | 0.814 | S | S | * | * | | | trans | -154 | 132.4 | 131 | -101.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 126 | A | 42.1 | Very low | 47.9 | Very low | 101 Ų | 101 | 148 Ų | 148 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | | | trans | -80.2 | 153.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 127 | S | 52 | Low | 47.7 | Very low | 130 Ų | 130 | 144.3 Ų | 144.3 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | | | trans | -147 | 120.3 | 153.8 | -141.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 128 | A | 40.1 | Very low | 46.9 | Very low | 90 Ų | 90 | 142.8 Ų | 142.8 | 74% | 0.744 | 82% | 0.816 | S | S | * | * | | | trans | -117.3 | 137.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 129 | S | 50.9 | Low | 46.6 | Very low | 126 Ų | 126 | 140 Ų | 140 | 88% | 0.881 | 81% | 0.812 | S | S | * | * | | | trans | 179.2 | 146.7 | 163.4 | -75.2 | 0 | 0 | 0 | 0 | 105.9 | | |
| 130 | S | 51.2 | Low | 46.5 | Very low | 104 Ų | 104 | 142.2 Ų | 142.2 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | | | cis | -178.1 | 107.1 | -7.2 | 163.8 | 0 | 0 | 0 | 0 | 104.3 | | |
| 131 | A | 44.3 | Very low | 46.2 | Very low | 86 Ų | 86 | 144.7 Ų | 144.7 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | | | | 49.5 | 117.9 | 114.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 132 | R | 51.8 | Low | 46.7 | Very low | 233 Ų | 233 | 145.1 Ų | 145.1 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | | | | 176.4 | 118.7 | 119.1 | -93.2 | 165.8 | -168.9 | -154.7 | 4 | 113.7 | | |
| 133 | R | 43 | Very low | 46.4 | Very low | 227 Ų | 227 | 140.6 Ų | 140.6 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | | | trans | 42.8 | 129.9 | 132.5 | -59.9 | -178.5 | -177.5 | -157.9 | -1.4 | 118.2 | | |
| 134 | L | 54.4 | Low | 46.6 | Very low | 167 Ų | 167 | 143.3 Ų | 143.3 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | | | | -159.6 | 145.6 | 64.8 | -80.2 | 164.4 | 0 | 0 | 0 | 112.6 | | |
| 135 | H | 42.9 | Very low | 46.8 | Very low | 181 Ų | 181 | 147 Ų | 147 | 84% | 0.838 | 82% | 0.818 | S | S | * | * | | | trans | -86.9 | 143.5 | 171.1 | -74.1 | -107.2 | 0 | 0 | 0 | 111.5 | | |
| 136 | V | 47.4 | Very low | 46.5 | Very low | 133 Ų | 133 | 144 Ų | 144 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | | | trans | -162.3 | 105.4 | 137.5 | 180 | 0 | 0 | 0 | 0 | 106.5 | | |
| 137 | S | 45.1 | Very low | 46.6 | Very low | 110 Ų | 110 | 143.9 Ų | 143.9 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | | | | 55.4 | 132.4 | 106.6 | -41.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 138 | S | 45.7 | Very low | 46.2 | Very low | 110 Ų | 110 | 146.1 Ų | 146.1 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | | | cis | -169.1 | 148 | 26.4 | 59.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 139 | A | 43.2 | Very low | 46.3 | Very low | 81 Ų | 81 | 145.2 Ų | 145.2 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | | | trans | 50.8 | 110.9 | 136 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 140 | F | 44.6 | Very low | 46.2 | Very low | 199 Ų | 199 | 143.9 Ų | 143.9 | 87% | 0.873 | 78% | 0.779 | S | S | * | * | | | | -172.4 | 107 | 109.2 | -106.6 | -80.7 | 0 | 0 | 0 | 108 | | |
| 141 | E | 42.5 | Very low | 46 | Very low | 188 Ų | 188 | 146.9 Ų | 146.9 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | | | trans | -115 | 117.6 | 176.4 | -165 | 175.2 | -145 | 0 | 0 | 106.2 | | |
| 142 | K | 53.8 | Low | 46.5 | Very low | 185 Ų | 185 | 147.1 Ų | 147.1 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -144.4 | 119.3 | 163.9 | -76.8 | -168.7 | 179.7 | 174.1 | 0 | 109.3 | | |
| 143 | D | 42.1 | Very low | 47.2 | Very low | 144 Ų | 144 | 141.8 Ų | 141.8 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | | | trans | -47.8 | 131.3 | 172 | -61.5 | -60.7 | 0 | 0 | 0 | 113.3 | | |
| 144 | L | 48.4 | Very low | 48.2 | Very low | 155 Ų | 155 | 136.5 Ų | 136.5 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | | | trans | -137.2 | 91.7 | 153.8 | -93.2 | 166.9 | 0 | 0 | 0 | 108.4 | V146 | L144-V146 HydrophobicContact CB-CG2 4.46Å; L144-V146 HydrophobicContact CD2-CG2 4.08Å; L144-V146 PolarHBondContact O-N 3.37Å |
| 145 | H | 44.2 | Very low | 49.1 | Very low | 185 Ų | 185 | 137 Ų | 137 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | | | trans | -68.4 | 109.2 | 152.8 | -87.7 | -88.4 | 0 | 0 | 0 | 107.8 | | |
| 146 | V | 46.4 | Very low | 50.8 | Low | 89 Ų | 89 | 134 Ų | 134 | 54% | 0.539 | 77% | 0.771 | S | S | . | * | | | trans | -116.2 | 107 | 166.6 | 178.9 | 0 | 0 | 0 | 0 | 108.1 | L144 F148 | L144-V146 HydrophobicContact CB-CG2 4.46Å; L144-V146 HydrophobicContact CD2-CG2 4.08Å; L144-V146 PolarHBondContact O-N 3.37Å; V146-F148 HydrophobicContact CB-CE2 4.43Å; V146-F148 HydrophobicContact CG1-CD2 3.95Å; V146-F148 HydrophobicContact CG1-CE2 3.8Å; V146-F148 HydrophobicContact CG1-CZ 4.41Å; V146-F148 PolarHBondContact O-N 2.98Å |
| 147 | A | 44.6 | Very low | 52.3 | Low | 99 Ų | 99 | 135.5 Ų | 135.5 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -68.5 | 109.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | G149 | A147-G149 VanDerWaalsContact C-N 3.33Å; A147-G149 PolarHBondContact O-N 3.49Å; A147-G149 VanDerWaalsContact O-N 3.11Å |
| 148 | F | 43.8 | Very low | 54 | Low | 176 Ų | 176 | 133.1 Ų | 133.1 | 77% | 0.772 | 76% | 0.756 | S | S | * | * | | | trans | -80.3 | 85.8 | 167.7 | -87.3 | -88.6 | 0 | 0 | 0 | 109.2 | V146 T150 | V146-F148 HydrophobicContact CB-CE2 4.43Å; V146-F148 HydrophobicContact CG1-CD2 3.95Å; V146-F148 HydrophobicContact CG1-CE2 3.8Å; V146-F148 HydrophobicContact CG1-CZ 4.41Å; V146-F148 PolarHBondContact O-N 2.98Å; F148-T150 HydrophobicContact CD1-CG2 3.98Å |
| 149 | G | 42.3 | Very low | 55.8 | Low | 72 Ų | 72 | 132.8 Ų | 132.8 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | | | trans | -100.4 | 90 | 156.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | A147 | A147-G149 VanDerWaalsContact C-N 3.33Å; A147-G149 PolarHBondContact O-N 3.49Å; A147-G149 VanDerWaalsContact O-N 3.11Å |
| 150 | T | 48.5 | Very low | 57.8 | Low | 98 Ų | 98 | 135.1 Ų | 135.1 | 60% | 0.601 | 76% | 0.759 | S | S | * | * | | | trans | -99.9 | 94.4 | 173.8 | 52.3 | 0 | 0 | 0 | 0 | 109 | F148 S152 | F148-T150 HydrophobicContact CD1-CG2 3.98Å; T150-S152 PolarHBondContact O-N 3.32Å; T150-S152 VanDerWaalsContact O-N 3.08Å |
| 151 | N | 47.5 | Very low | 59.9 | Low | 167 Ų | 167 | 129.3 Ų | 129.3 | 89% | 0.893 | 74% | 0.737 | S | S | * | * | | | trans | -69.7 | 85.4 | 149.2 | -74 | -46.7 | 0 | 0 | 0 | 106.4 | | |
| 152 | S | 54.9 | Low | 62.1 | Low | 91 Ų | 91 | 124.4 Ų | 124.4 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | | | trans | -70.3 | 126.1 | 173.4 | -65 | 0 | 0 | 0 | 0 | 108.5 | T150 S154 | T150-S152 PolarHBondContact O-N 3.32Å; T150-S152 VanDerWaalsContact O-N 3.08Å; S152-S154 PolarHBondContact O-N 3.48Å |
| 153 | P | 65 | Low | 63.6 | Low | 120 Ų | 120 | 121.9 Ų | 121.9 | 78% | 0.779 | 72% | 0.716 | S | S | * | * | | | trans | -58 | 132 | 169.2 | 24.5 | -30.8 | 0 | 0 | 0 | 108.1 | E155 | P153-E155 PolarHBondContact O-N 3.08Š|
| 154 | S | 65.7 | Low | 65.8 | Low | 117 Ų | 117 | 122.9 Ų | 122.9 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | | | trans | -44.6 | 110.5 | -178.8 | 48.5 | 0 | 0 | 0 | 0 | 111.1 | S152 | S152-S154 PolarHBondContact O-N 3.48Š|
| 155 | E | 73.2 | Confident | 67.6 | Low | 178 Ų | 178 | 118.7 Ų | 118.7 | 83% | 0.832 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 132.5 | 173.8 | -160.8 | 175.2 | -174.6 | 0 | 0 | 108.5 | P153 L157 | P153-E155 PolarHBondContact O-N 3.08Å; E155-L157 PolarHBondContact O-N 3.43Å |
| 156 | P | 78.2 | Confident | 69.5 | Low | 117 Ų | 117 | 111.8 Ų | 111.8 | 76% | 0.76 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 126.1 | 179.9 | 22.2 | -30.8 | 0 | 0 | 0 | 109.4 | | |
| 157 | L | 78.2 | Confident | 71.5 | Confident | 164 Ų | 164 | 111.9 Ų | 111.9 | 86% | 0.859 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -55 | 131.1 | 176.9 | -76.5 | 163.1 | 0 | 0 | 0 | 109.1 | E155 | E155-L157 PolarHBondContact O-N 3.43Š|
| 158 | P | 81.2 | Confident | 73.5 | Confident | 61 Ų | 61 | 111.6 Ų | 111.6 | 40% | 0.396 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -59.3 | 149.4 | 175.1 | 24.7 | -32.4 | 0 | 0 | 0 | 109.9 | Y66 | Y66-P158 HydrophobicContact CE1-CB 4.28Å; Y66-P158 HydrophobicContact CE1-CG 4.35Å |
| 159 | P | 83.9 | Confident | 75.4 | Confident | 103 Ų | 103 | 104.6 Ų | 104.6 | 67% | 0.669 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -56 | 145.6 | 177.2 | 24.3 | -33.4 | 0 | 0 | 0 | 110.4 | L161 | P159-L161 PolarHBondContact O-N 3.01Š|
| 160 | P | 85.8 | Confident | 77.5 | Confident | 129 Ų | 129 | 107.9 Ų | 107.9 | 84% | 0.838 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 128.1 | 178.5 | 23.5 | -31.8 | 0 | 0 | 0 | 109.8 | | |
| 161 | L | 88 | Confident | 79.4 | Confident | 77 Ų | 77 | 108.7 Ų | 108.7 | 40% | 0.403 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -68.5 | 146.6 | 174.4 | -65.1 | 175 | 0 | 0 | 0 | 109.7 | P159 V165 I169 | P159-L161 PolarHBondContact O-N 3.01Å; L161-V165 HydrophobicContact CD1-CG1 4.39Å; L161-I169 HydrophobicContact CD1-CD1 3.66Å |
| 162 | P | 88.6 | Confident | 81.1 | Confident | 85 Ų | 85 | 104.1 Ų | 104.1 | 55% | 0.552 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 141.9 | 168.6 | -24.7 | 34 | 0 | 0 | 0 | 111.2 | E164 V165 A166 | P162-E164 PolarHBondContact O-N 3.48Å; P162-E164 VanDerWaalsContact O-N 3.14Å; P162-V165 HydrophobicContact CB-CG2 4.31Å; P162-V165 HydrophobicContact CG-CG2 4.45Å; P162-V165 PolarHBondContact O-N 3.4Å; P162-A166 PolarHBondContact O-N 3.18Å |
| 163 | L | 85.9 | Confident | 82.4 | Confident | 132 Ų | 132 | 104.5 Ų | 104.5 | 69% | 0.691 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -55.3 | -35.4 | -173.8 | -176.7 | 62.8 | 0 | 0 | 0 | 112.9 | A166 N167 | L163-A166 PolarHBondContact O-N 2.99Å; L163-N167 WeakPolarHBondContact O-CB 3.35Å; L163-N167 VanDerWaalsContact O-CG 3.3Å; L163-N167 PolarHBondContact O-N 3.46Å; L163-N167 PolarHBondContact O-ND2 3.39Å |
| 164 | E | 87.6 | Confident | 83.2 | Confident | 166 Ų | 166 | 104.9 Ų | 104.9 | 78% | 0.776 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.1 | -44.7 | 176.9 | -64 | 178 | 178.6 | 0 | 0 | 112.2 | P162 A166 N167 L168 | P162-E164 PolarHBondContact O-N 3.48Å; P162-E164 VanDerWaalsContact O-N 3.14Å; E164-A166 VanDerWaalsContact C-N 3.35Å; E164-N167 PolarHBondContact O-N 3.38Å; E164-L168 PolarHBondContact O-N 2.98Å |
| 165 | V | 86.1 | Confident | 83.7 | Confident | 66 Ų | 66 | 105 Ų | 105 | 40% | 0.4 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.4 | -39.4 | 177.8 | -178.4 | 0 | 0 | 0 | 0 | 110.3 | L161 P162 L168 I169 | L161-V165 HydrophobicContact CD1-CG1 4.39Å; P162-V165 HydrophobicContact CB-CG2 4.31Å; P162-V165 HydrophobicContact CG-CG2 4.45Å; P162-V165 PolarHBondContact O-N 3.4Å; V165-L168 PolarHBondContact O-N 2.88Å; V165-I169 HydrophobicContact CG1-CD1 3.92Å; V165-I169 HydrophobicContact CG1-CG1 4.45Å; V165-I169 VanDerWaalsContact O-CG1 3.27Å; V165-I169 WeakPolarHBondContact O-CG1 3.35Å; V165-I169 PolarHBondContact O-N 3.49Å |
| 166 | A | 84.4 | Confident | 84 | Confident | 41 Ų | 41 | 101.9 Ų | 101.9 | 34% | 0.339 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | P162 L163 E164 I169 K170 | P162-A166 PolarHBondContact O-N 3.18Å; L163-A166 PolarHBondContact O-N 2.99Å; E164-A166 VanDerWaalsContact C-N 3.35Å; A166-I169 PolarHBondContact O-N 3.21Å; A166-K170 WeakPolarHBondContact O-CB 3.39Å; A166-K170 PolarHBondContact O-N 3.43Å |
| 167 | N | 87.9 | Confident | 83.7 | Confident | 91 Ų | 91 | 99.8 Ų | 99.8 | 49% | 0.487 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.9 | -42.8 | 176.2 | -74.1 | -19.6 | 0 | 0 | 0 | 111.9 | L163 E164 K170 E171 | L163-N167 WeakPolarHBondContact O-CB 3.35Å; L163-N167 VanDerWaalsContact O-CG 3.3Å; L163-N167 PolarHBondContact O-N 3.46Å; L163-N167 PolarHBondContact O-ND2 3.39Å; E164-N167 PolarHBondContact O-N 3.38Å; N167-K170 WeakPolarHBondContact O-CB 3.49Å; N167-K170 PolarHBondContact O-N 3.43Å; N167-E171 PolarHBondContact O-N 3.42Å |
| 168 | L | 86.9 | Confident | 83.1 | Confident | 93 Ų | 93 | 95.3 Ų | 95.3 | 49% | 0.487 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63 | -44.1 | 175.9 | -178.5 | 64.1 | 0 | 0 | 0 | 112 | E164 V165 K170 E171 M172 | E164-L168 PolarHBondContact O-N 2.98Å; V165-L168 PolarHBondContact O-N 2.88Å; L168-K170 PolarHBondContact O-N 3Å; L168-E171 PolarHBondContact O-N 3.15Å; L168-M172 HydrophobicContact CD1-CG 4.47Å; L168-M172 HydrophobicContact CG-SD 4.41Å; L168-M172 WeakPolarHBondContact O-CG 3.45Å; L168-M172 PolarHBondContact O-N 3.39Å |
| 169 | I | 83.7 | Confident | 81.6 | Confident | 29 Ų | 29 | 96.7 Ų | 96.7 | 15% | 0.149 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -60 | -39.4 | 175.6 | -70.3 | 167.8 | 0 | 0 | 0 | 110.5 | L161 V165 A166 R173 | L161-I169 HydrophobicContact CD1-CD1 3.66Å; V165-I169 HydrophobicContact CG1-CD1 3.92Å; V165-I169 HydrophobicContact CG1-CG1 4.45Å; V165-I169 VanDerWaalsContact O-CG1 3.27Å; V165-I169 WeakPolarHBondContact O-CG1 3.35Å; V165-I169 PolarHBondContact O-N 3.49Å; A166-I169 PolarHBondContact O-N 3.21Å; I169-R173 HydrophobicContact CG2-CG 4.47Å; I169-R173 WeakPolarHBondContact O-CB 3.49Å; I169-R173 VanDerWaalsContact O-CG 3.26Å; I169-R173 WeakPolarHBondContact O-CG 3.34Å; I169-R173 PolarHBondContact O-N 2.9Å |
| 170 | K | 87.4 | Confident | 80 | Confident | 141 Ų | 141 | 98.9 Ų | 98.9 | 61% | 0.613 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64 | -46.7 | 176.7 | -174.3 | -173.7 | 174.3 | -166.3 | 0 | 111.7 | A166 N167 L168 R173 E174 | A166-K170 WeakPolarHBondContact O-CB 3.39Å; A166-K170 PolarHBondContact O-N 3.43Å; N167-K170 WeakPolarHBondContact O-CB 3.49Å; N167-K170 PolarHBondContact O-N 3.43Å; L168-K170 PolarHBondContact O-N 3Å; K170-R173 PolarHBondContact O-N 3.24Å; K170-E174 PolarHBondContact O-N 2.96Å |
| 171 | E | 87.4 | Confident | 78.3 | Confident | 114 Ų | 114 | 99 Ų | 99 | 53% | 0.533 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 178.1 | -168.5 | -177 | 166.2 | 0 | 0 | 111.8 | N167 L168 R173 E174 M175 | N167-E171 PolarHBondContact O-N 3.42Å; L168-E171 PolarHBondContact O-N 3.15Å; E171-R173 VanDerWaalsContact C-N 3.35Å; E171-R173 PolarHBondContact O-N 2.95Å; E171-E174 PolarHBondContact O-N 3.32Å; E171-M175 HydrophobicContact CG-CE 4.33Å; E171-M175 PolarHBondContact O-N 3.01Å |
| 172 | M | 82.9 | Confident | 76.5 | Confident | 71 Ų | 71 | 98.9 Ų | 98.9 | 35% | 0.35 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -61.7 | -41.2 | 174.4 | -71.3 | -175.5 | 72 | 0 | 0 | 112.3 | L168 E174 M175 I176 | L168-M172 HydrophobicContact CD1-CG 4.47Å; L168-M172 HydrophobicContact CG-SD 4.41Å; L168-M172 WeakPolarHBondContact O-CG 3.45Å; L168-M172 PolarHBondContact O-N 3.39Å; M172-E174 VanDerWaalsContact C-N 3.31Å; M172-E174 PolarHBondContact O-N 3.07Å; M172-M175 HydrophobicContact CG-CE 4.25Å; M172-M175 PolarHBondContact O-N 2.96Å; M172-I176 WeakPolarHBondContact O-CD1 3.32Å; M172-I176 VanDerWaalsContact O-CG1 3.23Å; M172-I176 WeakPolarHBondContact O-CG1 3.46Å; M172-I176 PolarHBondContact O-N 3.24Å |
| 173 | R | 82.4 | Confident | 74.4 | Confident | 99 Ų | 99 | 101.2 Ų | 101.2 | 37% | 0.374 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.6 | -37.9 | 175.3 | -76.5 | 175.6 | 177.8 | -145 | 1 | 111.5 | Y66 D70 I169 K170 E171 I176 A177 | Y66-R173 PolarHBondContact O-NH2 3.21Å; D70-R173 IonicContact OD2-CZ 3.81Å; D70-R173 IonicContact OD2-NH1 3.03Å; D70-R173 PolarHBondContact OD2-NH1 2.87Å; D70-R173 IonicContact OD2-NH2 3.72Å; I169-R173 HydrophobicContact CG2-CG 4.47Å; I169-R173 WeakPolarHBondContact O-CB 3.49Å; I169-R173 VanDerWaalsContact O-CG 3.26Å; I169-R173 WeakPolarHBondContact O-CG 3.34Å; I169-R173 PolarHBondContact O-N 2.9Å; K170-R173 PolarHBondContact O-N 3.24Å; E171-R173 VanDerWaalsContact C-N 3.35Å; E171-R173 PolarHBondContact O-N 2.95Å; R173-I176 PolarHBondContact O-N 3.34Å; R173-A177 VanDerWaalsContact O-CB 3.23Å; R173-A177 WeakPolarHBondContact O-CB 3.41Å; R173-A177 PolarHBondContact O-N 3.44Å |
| 174 | E | 81.8 | Confident | 72.3 | Confident | 129 Ų | 129 | 99.9 Ų | 99.9 | 60% | 0.603 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -69.6 | -39.8 | 178 | -170.9 | 167 | -175.8 | 0 | 0 | 112.5 | K170 E171 M172 A177 S178 | K170-E174 PolarHBondContact O-N 2.96Å; E171-E174 PolarHBondContact O-N 3.32Å; M172-E174 VanDerWaalsContact C-N 3.31Å; M172-E174 PolarHBondContact O-N 3.07Å; E174-A177 PolarHBondContact O-N 3.31Å; E174-S178 PolarHBondContact O-N 3.2Å; E174-S178 PolarHBondContact O-OG 3.27Å |
| 175 | M | 76.6 | Confident | 70.4 | Confident | 119 Ų | 119 | 97.3 Ų | 97.3 | 59% | 0.586 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.4 | -40 | 173.3 | -73.4 | -170.4 | -73.2 | 0 | 0 | 112.5 | E171 M172 | E171-M175 HydrophobicContact CG-CE 4.33Å; E171-M175 PolarHBondContact O-N 3.01Å; M172-M175 HydrophobicContact CG-CE 4.25Å; M172-M175 PolarHBondContact O-N 2.96Å |
| 176 | I | 78.7 | Confident | 68.5 | Low | 112 Ų | 112 | 100 Ų | 100 | 57% | 0.574 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -74 | -35.7 | 179.3 | -64.3 | 163.8 | 0 | 0 | 0 | 111.6 | M172 R173 S178 | M172-I176 WeakPolarHBondContact O-CD1 3.32Å; M172-I176 VanDerWaalsContact O-CG1 3.23Å; M172-I176 WeakPolarHBondContact O-CG1 3.46Å; M172-I176 PolarHBondContact O-N 3.24Å; R173-I176 PolarHBondContact O-N 3.34Å; I176-S178 VanDerWaalsContact C-N 3.27Å; I176-S178 PolarHBondContact O-N 3.35Å |
| 177 | A | 72.4 | Confident | 67 | Low | 73 Ų | 73 | 108.9 Ų | 108.9 | 60% | 0.603 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -72.6 | -19.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R173 E174 P179 | R173-A177 VanDerWaalsContact O-CB 3.23Å; R173-A177 WeakPolarHBondContact O-CB 3.41Å; R173-A177 PolarHBondContact O-N 3.44Å; E174-A177 PolarHBondContact O-N 3.31Å; A177-P179 VanDerWaalsContact O-CD 3.28Å; A177-P179 WeakPolarHBondContact O-CD 3.28Å |
| 178 | S | 65.1 | Low | 65.3 | Low | 71 Ų | 71 | 113.5 Ų | 113.5 | 50% | 0.497 | 62% | 0.616 | S | S | . | * | S | Bend | trans | -68.9 | 114.5 | 176.2 | -67 | 0 | 0 | 0 | 0 | 109.8 | E174 I176 L180 | E174-S178 PolarHBondContact O-N 3.2Å; E174-S178 PolarHBondContact O-OG 3.27Å; I176-S178 VanDerWaalsContact C-N 3.27Å; I176-S178 PolarHBondContact O-N 3.35Å; S178-L180 PolarHBondContact O-N 2.77Å |
| 179 | P | 50.4 | Low | 63.5 | Low | 89 Ų | 89 | 115.9 Ų | 115.9 | 58% | 0.578 | 63% | 0.629 | S | S | * | * | | | trans | -59.9 | 129.4 | 179.9 | -19.2 | 31.1 | 0 | 0 | 0 | 109.3 | A177 T181 | A177-P179 VanDerWaalsContact O-CD 3.28Å; A177-P179 WeakPolarHBondContact O-CD 3.28Å; P179-T181 HydrophobicContact CB-CG2 3.62Å; P179-T181 PolarHBondContact O-N 2.68Å; P179-T181 PolarHBondContact O-OG1 3.3Å |
| 180 | L | 50.7 | Low | 61.9 | Low | 149 Ų | 149 | 125.1 Ų | 125.1 | 78% | 0.78 | 66% | 0.662 | S | S | * | * | | | trans | -69.4 | 60.5 | 160.3 | -66.5 | 173.2 | 0 | 0 | 0 | 109 | S178 G182 I183 | S178-L180 PolarHBondContact O-N 2.77Å; L180-G182 PolarHBondContact O-N 3.43Å; L180-I183 HydrophobicContact CB-CD1 4.33Å; L180-I183 HydrophobicContact CD1-CD1 4.32Å |
| 181 | T | 50.2 | Low | 60.3 | Low | 132 Ų | 132 | 125.2 Ų | 125.2 | 81% | 0.81 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 4 | -179 | 26.6 | 0 | 0 | 0 | 0 | 113.7 | P179 | P179-T181 HydrophobicContact CB-CG2 3.62Å; P179-T181 PolarHBondContact O-N 2.68Å; P179-T181 PolarHBondContact O-OG1 3.3Å |
| 182 | G | 49.7 | Very low | 58.7 | Low | 75 Ų | 75 | 127.2 Ų | 127.2 | 77% | 0.773 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -14.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | L180 S184 | L180-G182 PolarHBondContact O-N 3.43Å; G182-S184 PolarHBondContact O-N 3.32Å |
| 183 | I | 44.6 | Very low | 57.2 | Low | 134 Ų | 134 | 131.9 Ų | 131.9 | 69% | 0.687 | 71% | 0.708 | S | S | * | * | | | trans | -94.6 | 83.6 | -175.7 | -35.3 | 177.1 | 0 | 0 | 0 | 109.2 | L180 T185 | L180-I183 HydrophobicContact CB-CD1 4.33Å; L180-I183 HydrophobicContact CD1-CD1 4.32Å; I183-T185 PolarHBondContact O-N 3.36Å; I183-T185 VanDerWaalsContact O-N 3.14Å |
| 184 | S | 40.9 | Very low | 55.9 | Low | 103 Ų | 103 | 135.3 Ų | 135.3 | 72% | 0.72 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 118.9 | 169.2 | 173.9 | 0 | 0 | 0 | 0 | 109.3 | G182 | G182-S184 PolarHBondContact O-N 3.32Š|
| 185 | T | 47.8 | Very low | 54.8 | Low | 112 Ų | 112 | 134.9 Ų | 134.9 | 69% | 0.687 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 131 | 164.1 | 50.3 | 0 | 0 | 0 | 0 | 109.5 | I183 R187 | I183-T185 PolarHBondContact O-N 3.36Å; I183-T185 VanDerWaalsContact O-N 3.14Å; T185-R187 PolarHBondContact O-N 2.73Å; T185-R187 VanDerWaalsContact O-N 3.1Å |
| 186 | P | 47.4 | Very low | 53.7 | Low | 122 Ų | 122 | 133 Ų | 133 | 79% | 0.792 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 116.9 | 173.7 | 24.3 | -29.8 | 0 | 0 | 0 | 108.5 | Q188 | P186-Q188 PolarHBondContact O-N 3.22Š|
| 187 | R | 51.2 | Low | 52.4 | Low | 229 Ų | 229 | 136.4 Ų | 136.4 | 86% | 0.864 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 124.8 | 168.4 | -77.7 | -177.2 | 163.7 | 175.8 | -4.1 | 107.9 | T185 D189 | T185-R187 PolarHBondContact O-N 2.73Å; T185-R187 VanDerWaalsContact O-N 3.1Å; R187-D189 PolarHBondContact O-N 3.08Å |
| 188 | Q | 54.1 | Low | 51.3 | Low | 187 Ų | 187 | 142.8 Ų | 142.8 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -66.1 | 12.5 | -175.2 | -83.2 | -177.5 | -19.5 | 0 | 0 | 116 | P186 | P186-Q188 PolarHBondContact O-N 3.22Š|
| 189 | D | 47.5 | Very low | 50.4 | Low | 143 Ų | 143 | 144.2 Ų | 144.2 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | | | trans | -115.7 | 74.8 | -178.7 | -70.3 | -29.9 | 0 | 0 | 0 | 110.7 | R187 | R187-D189 PolarHBondContact O-N 3.08Š|
| 190 | R | 51.5 | Low | 50.3 | Low | 223 Ų | 223 | 147.2 Ų | 147.2 | 84% | 0.842 | 76% | 0.758 | S | S | * | * | | | trans | -178 | 115.6 | 154.1 | -95.6 | 145.3 | -159.8 | -135.2 | 8 | 110.1 | F192 | R190-F192 PolarHBondContact O-N 3.1Š|
| 191 | V | 52.2 | Low | 50 | Low | 144 Ų | 144 | 147.3 Ų | 147.3 | 87% | 0.873 | 76% | 0.76 | S | S | * | * | | | trans | -63.6 | 114.3 | 165.2 | 178.3 | 0 | 0 | 0 | 0 | 107.6 | | |
| 192 | F | 55 | Low | 49.6 | Very low | 156 Ų | 156 | 148.1 Ų | 148.1 | 68% | 0.684 | 76% | 0.759 | S | S | * | * | | | trans | -89.4 | 113.4 | 166.8 | -86.9 | -89.5 | 0 | 0 | 0 | 108.1 | R190 Y194 | R190-F192 PolarHBondContact O-N 3.1Å; F192-Y194 HydrophobicContact CB-CD2 3.87Å; F192-Y194 HydrophobicContact CB-CE2 3.76Å; F192-Y194 HydrophobicContact CG-CE2 4.35Å; F192-Y194 PolarHBondContact O-N 3.31Å; F192-Y194 VanDerWaalsContact O-N 3.13Å |
| 193 | D | 51.6 | Low | 49 | Very low | 168 Ų | 168 | 151.3 Ų | 151.3 | 90% | 0.898 | 75% | 0.754 | S | S | * | * | | | trans | -66.7 | 103 | 164.2 | -115.5 | -23.8 | 0 | 0 | 0 | 107.7 | | |
| 194 | Y | 54.6 | Low | 48.4 | Very low | 172 Ų | 172 | 152.9 Ų | 152.9 | 68% | 0.675 | 76% | 0.756 | S | S | * | * | | | trans | -92.4 | 104.5 | 170.8 | -90.3 | -83.8 | 0 | 0 | 0 | 109.1 | F192 A196 L199 | F192-Y194 HydrophobicContact CB-CD2 3.87Å; F192-Y194 HydrophobicContact CB-CE2 3.76Å; F192-Y194 HydrophobicContact CG-CE2 4.35Å; F192-Y194 PolarHBondContact O-N 3.31Å; F192-Y194 VanDerWaalsContact O-N 3.13Å; Y194-A196 PolarHBondContact O-N 3.11Å; Y194-A196 VanDerWaalsContact O-N 3.13Å; Y194-L199 HydrophobicContact CD1-CD1 4Å; Y194-L199 HydrophobicContact CE1-CD1 4.34Å |
| 195 | D | 59.5 | Low | 48.1 | Very low | 119 Ų | 119 | 155.6 Ų | 155.6 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | | | trans | -68.8 | 104.8 | 171.3 | -158.9 | -7.8 | 0 | 0 | 0 | 109.3 | K197 R198 | D195-K197 PolarHBondContact O-N 3.14Å; D195-R198 PolarHBondContact O-N 3.42Å |
| 196 | A | 52.9 | Low | 47.4 | Very low | 81 Ų | 81 | 160.5 Ų | 160.5 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -5.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y194 | Y194-A196 PolarHBondContact O-N 3.11Å; Y194-A196 VanDerWaalsContact O-N 3.13Å |
| 197 | K | 51.3 | Low | 46.9 | Very low | 183 Ų | 183 | 163.6 Ų | 163.6 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -8.8 | -179.2 | -67.5 | -174.8 | 177.3 | -177.1 | 0 | 114.8 | D195 | D195-K197 PolarHBondContact O-N 3.14Š|
| 198 | R | 49.1 | Very low | 46.3 | Very low | 207 Ų | 207 | 159.4 Ų | 159.4 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -99.2 | -9.2 | -179.1 | -95.5 | -175.3 | 165.8 | -165.9 | -4.1 | 116 | D195 | D195-R198 PolarHBondContact O-N 3.42Š|
| 199 | L | 45.7 | Very low | 45.5 | Very low | 101 Ų | 101 | 159.8 Ų | 159.8 | 53% | 0.529 | 77% | 0.765 | S | S | . | * | S | Bend | trans | -94.7 | -8.1 | -178.1 | -74.9 | 169.9 | 0 | 0 | 0 | 114.7 | Y194 N201 | Y194-L199 HydrophobicContact CD1-CD1 4Å; Y194-L199 HydrophobicContact CE1-CD1 4.34Å; L199-N201 VanDerWaalsContact C-N 3.33Å |
| 200 | L | 48.4 | Very low | 45.3 | Very low | 151 Ų | 151 | 161.6 Ų | 161.6 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -7.4 | 174.8 | -82.9 | 161.9 | 0 | 0 | 0 | 114.3 | | |
| 201 | N | 44.2 | Very low | 44.8 | Very low | 152 Ų | 152 | 158.3 Ų | 158.3 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | 0.1 | 178.3 | -104.6 | -17.5 | 0 | 0 | 0 | 114.6 | L199 | L199-N201 VanDerWaalsContact C-N 3.33Š|
| 202 | N | 42 | Very low | 44.1 | Very low | 148 Ų | 148 | 159.2 Ų | 159.2 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -127.6 | 15 | -179 | -78.8 | -21.4 | 0 | 0 | 0 | 113.6 | | |
| 203 | Q | 37.3 | Very low | 43.4 | Very low | 142 Ų | 142 | 159.4 Ų | 159.4 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | | | trans | -102.4 | 143.7 | 162.4 | -84.4 | -173.7 | 0.9 | 0 | 0 | 108.7 | | |
| 204 | F | 32.6 | Very low | 42.6 | Very low | 167 Ų | 167 | 159.8 Ų | 159.8 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | | | trans | 82.9 | 95.5 | -175.3 | -64.4 | -91.1 | 0 | 0 | 0 | 114.5 | | |
| 205 | L | 33.6 | Very low | 42 | Very low | 160 Ų | 160 | 161.2 Ų | 161.2 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | | | | -179.8 | 67.1 | 127.5 | -88.6 | 174.4 | 0 | 0 | 0 | 109.3 | | |
| 206 | F | 33.4 | Very low | 40.7 | Very low | 215 Ų | 215 | 161.8 Ų | 161.8 | 94% | 0.943 | 80% | 0.797 | S | S | * | * | | | trans | -129.5 | 68 | 150.3 | -89.9 | -81.3 | 0 | 0 | 0 | 106.3 | | |
| 207 | Y | 37.6 | Very low | 40.4 | Very low | 187 Ų | 187 | 163.5 Ų | 163.5 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | | | trans | -125.4 | 106.2 | 159 | -87.7 | -76.4 | 0 | 0 | 0 | 105.2 | K209 | Y207-K209 PolarHBondContact O-N 3.21Š|
| 208 | D | 38 | Very low | 39.7 | Very low | 142 Ų | 142 | 158.1 Ų | 158.1 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | | | trans | -59.5 | 101.1 | 169.9 | -148.3 | -14.7 | 0 | 0 | 0 | 107.6 | E210 | D208-E210 VanDerWaalsContact C-N 3.33Š|
| 209 | K | 38.6 | Very low | 39.2 | Very low | 194 Ų | 194 | 153.5 Ų | 153.5 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | | | trans | -94.7 | 11.3 | -169.6 | -150.2 | 178.3 | -178.5 | 179.9 | 0 | 111.9 | Y207 | Y207-K209 PolarHBondContact O-N 3.21Š|
| 210 | E | 42.2 | Very low | 38.9 | Very low | 182 Ų | 182 | 157 Ų | 157 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -99.7 | -4.1 | -176.3 | -65.8 | -134.1 | 143.1 | 0 | 0 | 115.2 | D208 | D208-E210 VanDerWaalsContact C-N 3.33Š|
| 211 | L | 41.8 | Very low | 38.6 | Very low | 153 Ų | 153 | 160.6 Ų | 160.6 | 80% | 0.801 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -101.4 | 19.2 | -174.7 | -116.9 | 139.1 | 0 | 0 | 0 | 116 | | |
| 212 | L | 37.8 | Very low | 38.5 | Very low | 164 Ų | 164 | 158.7 Ų | 158.7 | 86% | 0.859 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -119.4 | 20.4 | -174.6 | -105.8 | 156 | 0 | 0 | 0 | 115.6 | | |
| 213 | N | 39.2 | Very low | 38.4 | Very low | 160 Ų | 160 | 157 Ų | 157 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | | | trans | -127.1 | 57.8 | 172.9 | -88.2 | -35.8 | 0 | 0 | 0 | 112.4 | | |
| 214 | L | 34.8 | Very low | 38.9 | Very low | 175 Ų | 175 | 157.5 Ų | 157.5 | 92% | 0.916 | 83% | 0.826 | S | S | * | * | | | trans | -126 | 91.5 | 158.9 | -135.2 | 76.4 | 0 | 0 | 0 | 110 | | |
| 215 | K | 42.3 | Very low | 39.2 | Very low | 202 Ų | 202 | 152.7 Ų | 152.7 | 88% | 0.878 | 82% | 0.824 | S | S | * | * | | | trans | -72.7 | 125.7 | 176.9 | -160.6 | 166.4 | -175.3 | 173 | 0 | 108.6 | S217 | K215-S217 PolarHBondContact O-N 2.66Š|
| 216 | C | 31.8 | Very low | 39.8 | Very low | 132 Ų | 132 | 153 Ų | 153 | 89% | 0.892 | 83% | 0.826 | S | S | * | * | | | trans | -54.8 | 125.7 | 171.4 | -58.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 217 | S | 46.2 | Very low | 39.9 | Very low | 116 Ų | 116 | 148.3 Ų | 148.3 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | | | trans | -145.3 | 108.6 | 147.5 | 57 | 0 | 0 | 0 | 0 | 108.3 | K215 | K215-S217 PolarHBondContact O-N 2.66Š|
| 218 | G | 37.6 | Very low | 40 | Very low | 71 Ų | 71 | 145.6 Ų | 145.6 | 73% | 0.732 | 82% | 0.823 | S | S | * | * | | | trans | -76.8 | 147.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 219 | S | 37.6 | Very low | 40.1 | Very low | 110 Ų | 110 | 147.7 Ų | 147.7 | 77% | 0.769 | 83% | 0.829 | S | S | * | * | | | | 162.6 | 124.6 | 121.7 | 50.6 | 0 | 0 | 0 | 0 | 111 | | |
| 220 | E | 40.7 | Very low | 40 | Very low | 174 Ų | 174 | 145.6 Ų | 145.6 | 81% | 0.813 | 83% | 0.825 | S | S | * | * | | | trans | 62.8 | 114.5 | 138.7 | -61.4 | -175.5 | 173.3 | 0 | 0 | 122.2 | | |
| 221 | Y | 41.9 | Very low | 40.1 | Very low | 226 Ų | 226 | 144.2 Ų | 144.2 | 89% | 0.886 | 82% | 0.822 | S | S | * | * | | | trans | 56.9 | 106.3 | 135.4 | -77.6 | -87.9 | 0 | 0 | 0 | 121 | | |
| 222 | S | 42.2 | Very low | 40 | Very low | 113 Ų | 113 | 143.6 Ų | 143.6 | 79% | 0.79 | 82% | 0.819 | S | S | * | * | | | | 147.8 | 143 | 108.7 | -167.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 223 | P | 40.3 | Very low | 40.3 | Very low | 113 Ų | 113 | 148.1 Ų | 148.1 | 73% | 0.734 | 83% | 0.825 | S | S | * | * | | | trans | -108.5 | 131.6 | -165.3 | 36.3 | -24 | 0 | 0 | 0 | 113.6 | | |
| 224 | V | 46.2 | Very low | 40.7 | Very low | 151 Ų | 151 | 149.7 Ų | 149.7 | 92% | 0.915 | 83% | 0.828 | S | S | * | * | | | trans | -158.6 | 114.6 | 150 | -171.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 225 | G | 38.7 | Very low | 40.8 | Very low | 66 Ų | 66 | 150.9 Ų | 150.9 | 68% | 0.68 | 83% | 0.829 | S | S | * | * | | | trans | 63.1 | 115.4 | 136.2 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 226 | L | 46.2 | Very low | 40.8 | Very low | 168 Ų | 168 | 145 Ų | 145 | 88% | 0.88 | 83% | 0.826 | S | S | * | * | | | | 167.2 | 153.5 | 105 | -86.4 | 164.7 | 0 | 0 | 0 | 110.6 | | |
| 227 | P | 36.5 | Very low | 41.3 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 75% | 0.747 | 82% | 0.821 | S | S | * | * | | | trans | -86.9 | 143.9 | -168.6 | 35.3 | -31.8 | 0 | 0 | 0 | 111.6 | | |
| 228 | C | 40.1 | Very low | 40.8 | Very low | 130 Ų | 130 | 146.2 Ų | 146.2 | 88% | 0.878 | 83% | 0.826 | S | S | * | * | | | trans | -111.1 | 134.5 | 169 | -75.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 229 | E | 40.2 | Very low | 41 | Very low | 186 Ų | 186 | 149.5 Ų | 149.5 | 87% | 0.869 | 83% | 0.832 | S | S | * | * | | | trans | -64.3 | 144.1 | -172.1 | -71.1 | 166.3 | 134.4 | 0 | 0 | 113.7 | | |
| 230 | I | 35.2 | Very low | 41 | Very low | 151 Ų | 151 | 148.9 Ų | 148.9 | 77% | 0.774 | 83% | 0.828 | S | S | * | * | | | trans | -71.4 | 123.9 | 167.8 | -63.2 | 165.2 | 0 | 0 | 0 | 107.8 | | |
| 231 | I | 45.2 | Very low | 40.8 | Very low | 153 Ų | 153 | 149.4 Ų | 149.4 | 79% | 0.785 | 83% | 0.827 | S | S | * | * | | | trans | -107.9 | 107.2 | 164.8 | -59.9 | 177 | 0 | 0 | 0 | 106.7 | | |
| 232 | D | 39.6 | Very low | 40.5 | Very low | 139 Ų | 139 | 142.9 Ų | 142.9 | 74% | 0.743 | 82% | 0.815 | S | S | * | * | | | trans | -64.3 | 134.2 | 167.6 | -72.9 | -46.2 | 0 | 0 | 0 | 110 | | |
| 233 | W | 43.2 | Very low | 40.3 | Very low | 259 Ų | 259 | 143.6 Ų | 143.6 | 98% | 0.981 | 81% | 0.814 | S | S | * | * | | | trans | -120.9 | 115.7 | 162.3 | -115.5 | 0.1 | 0 | 0 | 0 | 111.1 | | |
| 234 | E | 47.3 | Very low | 40.4 | Very low | 194 Ų | 194 | 146.2 Ų | 146.2 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | | | trans | -69.3 | 142.4 | 177.8 | -85.6 | -177.9 | 141.2 | 0 | 0 | 112.6 | | |
| 235 | E | 38.3 | Very low | 40.1 | Very low | 200 Ų | 200 | 146.2 Ų | 146.2 | 94% | 0.935 | 82% | 0.816 | S | S | * | * | | | trans | -76.5 | 135.6 | 171.7 | -170.5 | 175.3 | -154.1 | 0 | 0 | 110.9 | | |
| 236 | G | 41.9 | Very low | 40.4 | Very low | 79 Ų | 79 | 150.4 Ų | 150.4 | 81% | 0.814 | 82% | 0.823 | S | S | * | * | | | trans | 157.5 | 120.4 | 163 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 237 | G | 42.9 | Very low | 40.5 | Very low | 77 Ų | 77 | 149.2 Ų | 149.2 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | | | trans | 139.4 | 74.2 | 151.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | T239 | G237-T239 PolarHBondContact O-N 3.36Š|
| 238 | Q | 35.1 | Very low | 41.3 | Very low | 196 Ų | 196 | 151 Ų | 151 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | | | trans | -58.9 | 124.3 | 156.4 | -73 | 179.5 | -23.7 | 0 | 0 | 110 | | |
| 239 | T | 41 | Very low | 41.7 | Very low | 140 Ų | 140 | 153.8 Ų | 153.8 | 86% | 0.859 | 82% | 0.82 | S | S | * | * | | | trans | -144.4 | 125.4 | 146.8 | 52.7 | 0 | 0 | 0 | 0 | 111.4 | G237 | G237-T239 PolarHBondContact O-N 3.36Š|
| 240 | S | 38.3 | Very low | 42.5 | Very low | 97 Ų | 97 | 152 Ų | 152 | 68% | 0.678 | 82% | 0.815 | S | S | * | * | | | trans | -58.7 | 145.6 | 169.1 | 46 | 0 | 0 | 0 | 0 | 114.6 | | |
| 241 | F | 36.9 | Very low | 43.7 | Very low | 185 Ų | 185 | 149.6 Ų | 149.6 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | | | | 162 | 114.5 | 112.5 | -108.2 | -100 | 0 | 0 | 0 | 110.8 | | |
| 242 | S | 35.4 | Very low | 44 | Very low | 88 Ų | 88 | 151.1 Ų | 151.1 | 62% | 0.615 | 82% | 0.816 | S | S | * | * | | | | 50.8 | 148.1 | 128.7 | 68.6 | 0 | 0 | 0 | 0 | 122.7 | | |
| 243 | V | 37.8 | Very low | 45.2 | Very low | 128 Ų | 128 | 151.4 Ų | 151.4 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | | | trans | 87.5 | 100.5 | 158.2 | -166.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 244 | L | 43.2 | Very low | 45.8 | Very low | 169 Ų | 169 | 144 Ų | 144 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | | | trans | -175.5 | 77.3 | 132.1 | -89 | -176.5 | 0 | 0 | 0 | 107.5 | | |
| 245 | N | 38.8 | Very low | 46.5 | Very low | 151 Ų | 151 | 141.7 Ų | 141.7 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | | | trans | -96.4 | 116.4 | 151.4 | -102.7 | -13.6 | 0 | 0 | 0 | 104.3 | | |
| 246 | D | 45.7 | Very low | 47.8 | Very low | 154 Ų | 154 | 138.8 Ų | 138.8 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | | | trans | -176.7 | 145 | 145.7 | -85.3 | -28.6 | 0 | 0 | 0 | 108.4 | | |
| 247 | D | 48.1 | Very low | 49.2 | Very low | 143 Ų | 143 | 144.4 Ų | 144.4 | 77% | 0.765 | 80% | 0.797 | S | S | * | * | | | trans | 81.2 | 80.7 | 167.6 | -56.6 | -27.7 | 0 | 0 | 0 | 119.2 | | |
| 248 | L | 52.4 | Low | 50.2 | Low | 152 Ų | 152 | 149.7 Ų | 149.7 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | | | trans | -143.6 | 79.8 | 142.5 | -104.9 | 149.4 | 0 | 0 | 0 | 109.4 | L250 | L248-L250 HydrophobicContact CD2-CD1 3.91Å; L248-L250 HydrophobicContact CD2-CD2 4.27Å; L248-L250 HydrophobicContact CD2-CG 3.85Å; L248-L250 PolarHBondContact O-N 2.9Å |
| 249 | Q | 49.1 | Very low | 52 | Low | 188 Ų | 188 | 149.3 Ų | 149.3 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | | | trans | -72.7 | 107.3 | 159.2 | -64.8 | -167.6 | 13.1 | 0 | 0 | 107.9 | | |
| 250 | L | 58.1 | Low | 53.3 | Low | 148 Ų | 148 | 151.6 Ų | 151.6 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | | | trans | -113.2 | 113.3 | 163.8 | -69.6 | 178.7 | 0 | 0 | 0 | 108.1 | L248 | L248-L250 HydrophobicContact CD2-CD1 3.91Å; L248-L250 HydrophobicContact CD2-CD2 4.27Å; L248-L250 HydrophobicContact CD2-CG 3.85Å; L248-L250 PolarHBondContact O-N 2.9Å |
| 251 | S | 60.4 | Low | 54.7 | Low | 101 Ų | 101 | 152.8 Ų | 152.8 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | | | trans | -61.2 | 139.9 | -178.6 | 46.5 | 0 | 0 | 0 | 0 | 112.1 | D253 | S251-D253 PolarHBondContact O-N 3.27Š|
| 252 | E | 50.5 | Low | 56.3 | Low | 186 Ų | 186 | 149.6 Ų | 149.6 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | | | trans | -73.9 | 108.8 | 168.1 | -62 | 168.2 | 132.2 | 0 | 0 | 108.2 | | |
| 253 | D | 65 | Low | 57.1 | Low | 145 Ų | 145 | 153.5 Ų | 153.5 | 78% | 0.775 | 81% | 0.806 | S | S | * | * | | | trans | -129.8 | 109.3 | 164.3 | -77.8 | -47.5 | 0 | 0 | 0 | 109.6 | S251 | S251-D253 PolarHBondContact O-N 3.27Š|
| 254 | S | 54.6 | Low | 58.3 | Low | 102 Ų | 102 | 151.5 Ų | 151.5 | 71% | 0.713 | 80% | 0.803 | S | S | * | * | | | trans | -57.4 | 144.8 | 167.6 | 49.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 255 | D | 62.6 | Low | 59.2 | Low | 146 Ų | 146 | 152.4 Ų | 152.4 | 78% | 0.781 | 80% | 0.803 | S | S | * | * | | | trans | 169.3 | 84.8 | 133.1 | -86.3 | -14.8 | 0 | 0 | 0 | 110.2 | | |
| 256 | T | 66.4 | Low | 59.9 | Low | 139 Ų | 139 | 149.6 Ų | 149.6 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | | | trans | -94.9 | 103.4 | 160.1 | 43.7 | 0 | 0 | 0 | 0 | 108.5 | E258 | T256-E258 PolarHBondContact O-N 3.27Š|
| 257 | K | 70 | Confident | 60.4 | Low | 197 Ų | 197 | 149.1 Ų | 149.1 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | | | trans | -68.5 | 117.9 | 164.8 | -70.4 | 177.4 | 178.2 | 172.4 | 0 | 108.3 | E259 | K257-E259 PolarHBondContact O-N 3.31Š|
| 258 | E | 65.5 | Low | 60.6 | Low | 189 Ų | 189 | 146.9 Ų | 146.9 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | | | trans | -74.8 | 114 | 166.7 | -60.9 | -153.5 | 164.5 | 0 | 0 | 108.7 | T256 | T256-E258 PolarHBondContact O-N 3.27Š|
| 259 | E | 71.3 | Confident | 60.6 | Low | 188 Ų | 188 | 146.2 Ų | 146.2 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | | | trans | -95.6 | 111.6 | 166.5 | -121.7 | 179.4 | -170.9 | 0 | 0 | 109 | K257 | K257-E259 PolarHBondContact O-N 3.31Š|
| 260 | Y | 69.7 | Low | 60.5 | Low | 188 Ų | 188 | 145.6 Ų | 145.6 | 74% | 0.737 | 79% | 0.793 | S | S | * | * | | | trans | -59.6 | 120.9 | 172.9 | 178.7 | -97.3 | 0 | 0 | 0 | 110.9 | D262 | Y260-D262 WeakPolarHBondContact CE1-OD1 3.42Å; Y260-D262 VanDerWaalsContact CE1-OD2 3.32Å; Y260-D262 WeakPolarHBondContact CE1-OD2 3.48Å; Y260-D262 PolarHBondContact OH-OD1 3.4Å |
| 261 | C | 68.2 | Low | 60.5 | Low | 122 Ų | 122 | 143.9 Ų | 143.9 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | | | trans | -112 | 110.2 | 170.1 | -75.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 262 | D | 69.4 | Low | 60 | Low | 118 Ų | 118 | 148.2 Ų | 148.2 | 63% | 0.631 | 80% | 0.802 | S | S | * | * | | | trans | -62.5 | 128.9 | 175.8 | -77.3 | -58.3 | 0 | 0 | 0 | 112.5 | Y260 | Y260-D262 WeakPolarHBondContact CE1-OD1 3.42Å; Y260-D262 VanDerWaalsContact CE1-OD2 3.32Å; Y260-D262 WeakPolarHBondContact CE1-OD2 3.48Å; Y260-D262 PolarHBondContact OH-OD1 3.4Å |
| 263 | D | 52.2 | Low | 59.9 | Low | 169 Ų | 169 | 142.6 Ų | 142.6 | 90% | 0.904 | 79% | 0.794 | S | S | * | * | | | trans | -67.3 | 125.8 | 158.9 | -78.2 | -48.2 | 0 | 0 | 0 | 110 | | |
| 264 | A | 64.2 | Low | 59.4 | Low | 87 Ų | 87 | 141.7 Ų | 141.7 | 72% | 0.719 | 80% | 0.796 | S | S | * | * | | | trans | -144.8 | 107.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 265 | E | 61.2 | Low | 59.2 | Low | 188 Ų | 188 | 144.5 Ų | 144.5 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | | | trans | 66.5 | 113.9 | 132.3 | -63.6 | -89.2 | 132.4 | 0 | 0 | 119.2 | | |
| 266 | A | 52.8 | Low | 59.1 | Low | 91 Ų | 91 | 145.6 Ų | 145.6 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | | | trans | -53.2 | 141.9 | 162 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 267 | T | 57.7 | Low | 58.9 | Low | 144 Ų | 144 | 144.4 Ų | 144.4 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | | | trans | -148.5 | 137.3 | 139.1 | 43.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 268 | S | 52.3 | Low | 58.1 | Low | 97 Ų | 97 | 144.3 Ų | 144.3 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | | | trans | -75.9 | 169 | 178.1 | 56 | 0 | 0 | 0 | 0 | 112.9 | | |
| 269 | N | 51.2 | Low | 57.6 | Low | 137 Ų | 137 | 144.3 Ų | 144.3 | 73% | 0.733 | 81% | 0.806 | S | S | * | * | | | trans | 125.4 | 102.8 | 153.3 | -58.5 | -10.3 | 0 | 0 | 0 | 111.4 | | |
| 270 | E | 48.1 | Very low | 57.1 | Low | 176 Ų | 176 | 140.8 Ų | 140.8 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | | | | 81.6 | 106.1 | 83.6 | -160 | -175.9 | 150.2 | 0 | 0 | 113 | | |
| 271 | S | 56.9 | Low | 56.8 | Low | 111 Ų | 111 | 137.3 Ų | 137.3 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | | | trans | 180 | 110.3 | 145.6 | 43.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 272 | H | 51.3 | Low | 56.6 | Low | 192 Ų | 192 | 136.7 Ų | 136.7 | 89% | 0.889 | 80% | 0.799 | S | S | * | * | | | | 79.8 | 106.2 | 86 | -99.3 | -15.2 | 0 | 0 | 0 | 115.9 | | |
| 273 | G | 47.4 | Very low | 55.7 | Low | 69 Ų | 69 | 135.9 Ų | 135.9 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | | | trans | 118.7 | 154.9 | 137.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 274 | P | 53.9 | Low | 55.8 | Low | 125 Ų | 125 | 135.7 Ų | 135.7 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | | | cis | -133.2 | 171.7 | -43.4 | 35.1 | -18.4 | 0 | 0 | 0 | 113.3 | | |
| 275 | N | 51 | Low | 55.3 | Low | 162 Ų | 162 | 136.5 Ų | 136.5 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | | | trans | -34.3 | 137 | 173.5 | -64.2 | -64.5 | 0 | 0 | 0 | 116.9 | | |
| 276 | L | 61.1 | Low | 54.6 | Low | 168 Ų | 168 | 133.7 Ų | 133.7 | 88% | 0.88 | 81% | 0.807 | S | S | * | * | | | trans | -107.3 | 138.9 | 154.9 | -82.4 | 171 | 0 | 0 | 0 | 109.8 | | |
| 277 | P | 62.4 | Low | 54.2 | Low | 115 Ų | 115 | 134.5 Ų | 134.5 | 75% | 0.747 | 81% | 0.807 | S | S | * | * | | | trans | -82.1 | 154.7 | -176.5 | 33.2 | -33.2 | 0 | 0 | 0 | 112.9 | | |
| 278 | E | 51.7 | Low | 54.1 | Low | 195 Ų | 195 | 133 Ų | 133 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | | | trans | -59.5 | 126.2 | 173.3 | -60.7 | 179.4 | 117 | 0 | 0 | 112 | | |
| 279 | E | 55.2 | Low | 54.2 | Low | 189 Ų | 189 | 133.4 Ų | 133.4 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | | | trans | -101.7 | 101.8 | 162 | -72.4 | -127.8 | 116.6 | 0 | 0 | 109.8 | S281 | E279-S281 PolarHBondContact O-N 3.16Š|
| 280 | S | 60.7 | Low | 54 | Low | 114 Ų | 114 | 130.8 Ų | 130.8 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 117.7 | 167.6 | 156.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 281 | S | 64.3 | Low | 54.4 | Low | 114 Ų | 114 | 127.3 Ų | 127.3 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 133.6 | 163.1 | -69.7 | 0 | 0 | 0 | 0 | 110.7 | E279 | E279-S281 PolarHBondContact O-N 3.16Š|
| 282 | P | 64.1 | Low | 54.8 | Low | 110 Ų | 110 | 131.2 Ų | 131.2 | 71% | 0.714 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 145.8 | -174.9 | 32.2 | -33.2 | 0 | 0 | 0 | 112.3 | L284 | P282-L284 PolarHBondContact O-N 3.46Š|
| 283 | A | 50.6 | Low | 55.1 | Low | 100 Ų | 100 | 125.7 Ų | 125.7 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -63 | 121.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111 | S285 | A283-S285 PolarHBondContact O-N 3.25Š|
| 284 | L | 54.9 | Low | 55.7 | Low | 165 Ų | 165 | 131.4 Ų | 131.4 | 86% | 0.864 | 83% | 0.83 | S | S | * | * | | | trans | -83.4 | 105.2 | 165.6 | -68.4 | 177.9 | 0 | 0 | 0 | 108.8 | P282 | P282-L284 PolarHBondContact O-N 3.46Š|
| 285 | S | 51.7 | Low | 55.9 | Low | 104 Ų | 104 | 131.9 Ų | 131.9 | 73% | 0.727 | 83% | 0.831 | S | S | * | * | | | trans | -69.8 | 116.8 | 172.1 | -178.8 | 0 | 0 | 0 | 0 | 110.1 | A283 S287 | A283-S285 PolarHBondContact O-N 3.25Å; S285-S287 PolarHBondContact O-N 3.14Å |
| 286 | C | 48 | Very low | 56.4 | Low | 130 Ų | 130 | 129.8 Ų | 129.8 | 88% | 0.878 | 83% | 0.829 | S | S | * | * | | | trans | -80.1 | 111.1 | 166.3 | -60.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 287 | S | 43.6 | Very low | 55.9 | Low | 107 Ų | 107 | 127.5 Ų | 127.5 | 75% | 0.748 | 82% | 0.824 | S | S | * | * | | | trans | -130.7 | 106.6 | 169 | -73.1 | 0 | 0 | 0 | 0 | 109.4 | S285 | S285-S287 PolarHBondContact O-N 3.14Š|
| 288 | S | 55 | Low | 55.2 | Low | 114 Ų | 114 | 129.5 Ų | 129.5 | 80% | 0.797 | 83% | 0.828 | S | S | * | * | | | trans | -159.8 | 94.6 | 156.7 | 41.9 | 0 | 0 | 0 | 0 | 106.5 | | |
| 289 | A | 54.7 | Low | 55.1 | Low | 104 Ų | 104 | 126 Ų | 126 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | | | | 70.3 | 100.8 | 89.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 290 | G | 47.8 | Very low | 54.8 | Low | 83 Ų | 83 | 126.6 Ų | 126.6 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | | | trans | -69.4 | 152.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 291 | A | 56.3 | Low | 54.5 | Low | 102 Ų | 102 | 125.8 Ų | 125.8 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | | | trans | -142.1 | 111.8 | 155.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 292 | M | 64.2 | Low | 53.9 | Low | 193 Ų | 193 | 129 Ų | 129 | 95% | 0.951 | 83% | 0.825 | S | S | * | * | | | trans | -80.9 | 129.3 | 170 | -50.4 | -144.9 | -57.4 | 0 | 0 | 107.4 | | |
| 293 | G | 59 | Low | 53.5 | Low | 77 Ų | 77 | 128.7 Ų | 128.7 | 79% | 0.794 | 83% | 0.826 | S | S | * | * | | | trans | -142.8 | 92.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 294 | E | 59.4 | Low | 53.7 | Low | 189 Ų | 189 | 131.3 Ų | 131.3 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | | | trans | -72.3 | 131.8 | 164.2 | -58.5 | -174.8 | 127.4 | 0 | 0 | 108.8 | | |
| 295 | T | 57.8 | Low | 54 | Low | 134 Ų | 134 | 131.1 Ų | 131.1 | 82% | 0.822 | 83% | 0.825 | S | S | * | * | | | trans | -164.1 | 109.9 | 140.1 | 47.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 296 | S | 61.6 | Low | 54.8 | Low | 119 Ų | 119 | 131.8 Ų | 131.8 | 83% | 0.832 | 83% | 0.827 | S | S | * | * | | | trans | 48.6 | 142.9 | 136.8 | -54.9 | 0 | 0 | 0 | 0 | 123.3 | | |
| 297 | P | 50.4 | Low | 55.5 | Low | 119 Ų | 119 | 132.5 Ų | 132.5 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | | | trans | -94.2 | 145.5 | -176.9 | 38 | -31.6 | 0 | 0 | 0 | 112.3 | | |
| 298 | L | 48.4 | Very low | 56.7 | Low | 158 Ų | 158 | 133 Ų | 133 | 83% | 0.827 | 82% | 0.822 | S | S | * | * | | | trans | -142.5 | 114.2 | 166 | -82.7 | 179.2 | 0 | 0 | 0 | 111.3 | | |
| 299 | T | 50.5 | Low | 57 | Low | 121 Ų | 121 | 134.7 Ų | 134.7 | 74% | 0.742 | 82% | 0.821 | S | S | * | * | | | trans | 58.9 | 120.8 | 131.2 | 55.9 | 0 | 0 | 0 | 0 | 120.1 | | |
| 300 | E | 47.7 | Very low | 57.2 | Low | 201 Ų | 201 | 138.4 Ų | 138.4 | 94% | 0.939 | 82% | 0.82 | S | S | * | * | | | trans | -50.7 | 128.5 | 163.6 | -53.9 | -168.6 | 153.4 | 0 | 0 | 111.8 | | |
| 301 | A | 55.2 | Low | 57.9 | Low | 97 Ų | 97 | 141.5 Ų | 141.5 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | | | trans | -142.6 | 121.1 | 157.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 302 | E | 51.4 | Low | 58.1 | Low | 182 Ų | 182 | 145.2 Ų | 145.2 | 85% | 0.85 | 82% | 0.816 | S | S | * | * | | | trans | -57.6 | 174.4 | 166.9 | -68.7 | 170.6 | 100 | 0 | 0 | 111.3 | | |
| 303 | S | 55.1 | Low | 57.7 | Low | 103 Ų | 103 | 143 Ų | 143 | 72% | 0.72 | 81% | 0.808 | S | S | * | * | | | trans | 72 | 98.3 | 171.6 | 42 | 0 | 0 | 0 | 0 | 116.5 | | |
| 304 | D | 54.2 | Low | 57.4 | Low | 155 Ų | 155 | 143.4 Ų | 143.4 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | | | | 174.4 | 120 | 98.1 | -84.4 | -29.7 | 0 | 0 | 0 | 110.6 | | |
| 305 | L | 61.6 | Low | 57.1 | Low | 162 Ų | 162 | 140.4 Ų | 140.4 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 133 | 169.4 | -80.4 | 156 | 0 | 0 | 0 | 108.8 | N307 | L305-N307 PolarHBondContact O-N 3.28Š|
| 306 | P | 68 | Low | 57.1 | Low | 118 Ų | 118 | 138.5 Ų | 138.5 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 124.8 | 172.5 | 26.3 | -30.6 | 0 | 0 | 0 | 108.8 | | |
| 307 | N | 62.8 | Low | 57 | Low | 144 Ų | 144 | 141.8 Ų | 141.8 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 142.9 | 173.5 | -78.9 | -34.8 | 0 | 0 | 0 | 110.6 | L305 I309 | L305-N307 PolarHBondContact O-N 3.28Å; N307-I309 PolarHBondContact O-N 2.96Å |
| 308 | P | 68.8 | Low | 57.4 | Low | 118 Ų | 118 | 140.2 Ų | 140.2 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | | | trans | -58.6 | 115 | 170.9 | 25.5 | -31.7 | 0 | 0 | 0 | 108.2 | E310 | P308-E310 PolarHBondContact O-N 3Š|
| 309 | I | 63.2 | Low | 57.9 | Low | 149 Ų | 149 | 141.9 Ų | 141.9 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | | | trans | -54.3 | 122.1 | 169.1 | -68.8 | 166.4 | 0 | 0 | 0 | 106.6 | N307 I311 | N307-I309 PolarHBondContact O-N 2.96Å; I309-I311 PolarHBondContact O-N 3.27Å |
| 310 | E | 57.1 | Low | 58.4 | Low | 182 Ų | 182 | 139.3 Ų | 139.3 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | | | trans | -58 | 100 | 172.3 | -64.6 | 179.4 | 164.7 | 0 | 0 | 108.3 | P308 E312 | P308-E310 PolarHBondContact O-N 3Å; E310-E312 PolarHBondContact O-N 3.31Å |
| 311 | I | 63.9 | Low | 58.9 | Low | 149 Ų | 149 | 137 Ų | 137 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | | | trans | -90.4 | 62 | 167.5 | -51.4 | 171.1 | 0 | 0 | 0 | 106.4 | I309 | I309-I311 PolarHBondContact O-N 3.27Š|
| 312 | E | 59.6 | Low | 59.1 | Low | 179 Ų | 179 | 135.4 Ų | 135.4 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | | | trans | -126.4 | 53.9 | 174.2 | -68.2 | -160.3 | 176.6 | 0 | 0 | 109.6 | E310 | E310-E312 PolarHBondContact O-N 3.31Š|
| 313 | D | 55.3 | Low | 59.8 | Low | 148 Ų | 148 | 131.6 Ų | 131.6 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -157.8 | 18.1 | 168.7 | -143.8 | 6.3 | 0 | 0 | 0 | 115.8 | | |
| 314 | A | 54.2 | Low | 60.5 | Low | 84 Ų | 84 | 132.7 Ų | 132.7 | 69% | 0.694 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -112.3 | 8.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 315 | V | 53.2 | Low | 61.6 | Low | 127 Ų | 127 | 130 Ų | 130 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -104.6 | 2.2 | -179.1 | -151.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 316 | S | 58 | Low | 62.5 | Low | 93 Ų | 93 | 129.6 Ų | 129.6 | 65% | 0.65 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 2.3 | -176.8 | -166.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 317 | E | 58.7 | Low | 62.9 | Low | 188 Ų | 188 | 130.1 Ų | 130.1 | 88% | 0.879 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | 8.5 | -175.7 | -135.5 | 175 | -167.2 | 0 | 0 | 114.4 | | |
| 318 | C | 57.8 | Low | 63.8 | Low | 86 Ų | 86 | 126.8 Ų | 126.8 | 58% | 0.581 | 72% | 0.723 | S | S | * | * | | | trans | -95.6 | -1.9 | -178.9 | -56.1 | 0 | 0 | 0 | 0 | 114.7 | G320 | C318-G320 PolarHBondContact O-N 2.95Å; C318-G320 VanDerWaalsContact O-N 3.13Å |
| 319 | E | 60.7 | Low | 64.6 | Low | 193 Ų | 193 | 124.2 Ų | 124.2 | 90% | 0.902 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 5.2 | 179 | -82.3 | 178.8 | 152.5 | 0 | 0 | 114.1 | | |
| 320 | G | 59.6 | Low | 65.6 | Low | 68 Ų | 68 | 121.1 Ų | 121.1 | 70% | 0.701 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | 10.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | C318 G322 | C318-G320 PolarHBondContact O-N 2.95Å; C318-G320 VanDerWaalsContact O-N 3.13Å; G320-G322 PolarHBondContact O-N 3.06Å |
| 321 | L | 58.6 | Low | 66.9 | Low | 153 Ų | 153 | 117.4 Ų | 117.4 | 80% | 0.801 | 68% | 0.675 | S | S | * | * | | | trans | -74.2 | 86.9 | 170.1 | -62.8 | -177.8 | 0 | 0 | 0 | 108.3 | | |
| 322 | G | 59.9 | Low | 67.9 | Low | 63 Ų | 63 | 114.5 Ų | 114.5 | 65% | 0.649 | 66% | 0.664 | S | S | * | * | | | trans | -46.5 | 144 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | G320 I324 | G320-G322 PolarHBondContact O-N 3.06Å; G322-I324 PolarHBondContact O-N 3.04Å; G322-I324 VanDerWaalsContact O-N 3.07Å |
| 323 | A | 66.4 | Low | 69.1 | Low | 102 Ų | 102 | 110 Ų | 110 | 84% | 0.843 | 65% | 0.646 | S | S | * | * | | | trans | -29.1 | 113.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | D325 | A323-D325 PolarHBondContact O-N 3.45Å; A323-D325 VanDerWaalsContact O-N 3.11Å |
| 324 | I | 68.9 | Low | 70.5 | Confident | 125 Ų | 125 | 107.8 Ų | 107.8 | 64% | 0.641 | 63% | 0.633 | S | S | * | * | | | trans | -49.2 | 123.6 | 171.1 | -52.9 | 167.5 | 0 | 0 | 0 | 105.4 | G322 E326 V328 | G322-I324 PolarHBondContact O-N 3.04Å; G322-I324 VanDerWaalsContact O-N 3.07Å; I324-E326 PolarHBondContact O-N 3.22Å; I324-V328 HydrophobicContact CG2-CB 3.95Å; I324-V328 HydrophobicContact CG2-CG1 3.98Å |
| 325 | D | 78.2 | Confident | 71.9 | Confident | 99 Ų | 99 | 106.7 Ų | 106.7 | 53% | 0.529 | 62% | 0.624 | S | S | . | * | | | trans | -50.5 | 135.3 | -175.6 | -163.7 | 10.4 | 0 | 0 | 0 | 109.5 | A323 E327 V328 T329 | A323-D325 PolarHBondContact O-N 3.45Å; A323-D325 VanDerWaalsContact O-N 3.11Å; D325-E327 PolarHBondContact O-N 2.82Å; D325-E327 VanDerWaalsContact O-N 3.09Å; D325-V328 HydrophobicContact CB-CG2 4.28Å; D325-V328 PolarHBondContact O-N 3.38Å; D325-T329 PolarHBondContact O-N 3.39Å; D325-T329 PolarHBondContact O-OG1 3.41Å |
| 326 | E | 78.7 | Confident | 73.4 | Confident | 154 Ų | 154 | 107.5 Ų | 107.5 | 72% | 0.72 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -52.9 | -35.2 | -177.1 | -169.6 | 169.8 | -172.4 | 0 | 0 | 110 | I324 V328 T329 D330 | I324-E326 PolarHBondContact O-N 3.22Å; E326-V328 PolarHBondContact O-N 3Å; E326-T329 WeakPolarHBondContact O-CB 3.45Å; E326-T329 PolarHBondContact O-N 3.13Å; E326-D330 PolarHBondContact O-N 2.94Å |
| 327 | E | 76.6 | Confident | 74.5 | Confident | 128 Ų | 128 | 111 Ų | 111 | 60% | 0.598 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -61.4 | -38.2 | 175.9 | -166.2 | 176 | 175.9 | 0 | 0 | 114 | D325 T329 D330 I331 | D325-E327 PolarHBondContact O-N 2.82Å; D325-E327 VanDerWaalsContact O-N 3.09Å; E327-T329 VanDerWaalsContact C-N 3.33Å; E327-D330 PolarHBondContact O-N 3.27Å; E327-I331 WeakPolarHBondContact O-CG1 3.46Å; E327-I331 PolarHBondContact O-N 3.03Å; E327-I331 VanDerWaalsContact O-N 3.15Å |
| 328 | V | 82.6 | Confident | 75.6 | Confident | 74 Ų | 74 | 106.2 Ų | 106.2 | 45% | 0.448 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -71.7 | -34.6 | 177.6 | 177.1 | 0 | 0 | 0 | 0 | 110.5 | I324 D325 E326 D330 V332 | I324-V328 HydrophobicContact CG2-CB 3.95Å; I324-V328 HydrophobicContact CG2-CG1 3.98Å; D325-V328 HydrophobicContact CB-CG2 4.28Å; D325-V328 PolarHBondContact O-N 3.38Å; E326-V328 PolarHBondContact O-N 3Å; V328-D330 VanDerWaalsContact C-N 3.34Å; V328-V332 WeakPolarHBondContact O-CG2 3.39Å; V328-V332 PolarHBondContact O-N 3.44Å |
| 329 | T | 86.3 | Confident | 76.5 | Confident | 64 Ų | 64 | 104.9 Ų | 104.9 | 39% | 0.393 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -67.7 | -38 | 176.9 | -47.4 | 0 | 0 | 0 | 0 | 110.9 | D325 E326 E327 V332 N333 | D325-T329 PolarHBondContact O-N 3.39Å; D325-T329 PolarHBondContact O-OG1 3.41Å; E326-T329 WeakPolarHBondContact O-CB 3.45Å; E326-T329 PolarHBondContact O-N 3.13Å; E327-T329 VanDerWaalsContact C-N 3.33Å; T329-V332 PolarHBondContact O-N 3.32Å; T329-N333 WeakPolarHBondContact O-CB 3.47Å; T329-N333 VanDerWaalsContact O-CG 3.3Å; T329-N333 PolarHBondContact O-N 3.13Å; T329-N333 PolarHBondContact O-ND2 3.49Å |
| 330 | D | 83.1 | Confident | 76.8 | Confident | 85 Ų | 85 | 102.2 Ų | 102.2 | 46% | 0.455 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.6 | -42.7 | 176.4 | -76.4 | -16.4 | 0 | 0 | 0 | 112.8 | E326 E327 V328 V332 N333 I334 | E326-D330 PolarHBondContact O-N 2.94Å; E327-D330 PolarHBondContact O-N 3.27Å; V328-D330 VanDerWaalsContact C-N 3.34Å; D330-V332 VanDerWaalsContact C-N 3.33Å; D330-V332 PolarHBondContact O-N 2.88Å; D330-N333 PolarHBondContact O-N 2.88Å; D330-I334 VanDerWaalsContact O-CG1 3.28Å; D330-I334 WeakPolarHBondContact O-CG1 3.41Å; D330-I334 PolarHBondContact O-N 3.08Å |
| 331 | I | 84.1 | Confident | 77 | Confident | 104 Ų | 104 | 105.6 Ų | 105.6 | 53% | 0.533 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.8 | -43.2 | 176.8 | -66.3 | 165.8 | 0 | 0 | 0 | 110.9 | E327 N333 I334 A335 | E327-I331 WeakPolarHBondContact O-CG1 3.46Å; E327-I331 PolarHBondContact O-N 3.03Å; E327-I331 VanDerWaalsContact O-N 3.15Å; I331-N333 VanDerWaalsContact C-N 3.35Å; I331-I334 PolarHBondContact O-N 3.33Å; I331-A335 WeakPolarHBondContact O-CB 3.46Å; I331-A335 PolarHBondContact O-N 2.84Å |
| 332 | V | 85.5 | Confident | 77 | Confident | 87 Ų | 87 | 101.1 Ų | 101.1 | 53% | 0.527 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.9 | -38.6 | 177.2 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | V328 T329 D330 A335 K336 | V328-V332 WeakPolarHBondContact O-CG2 3.39Å; V328-V332 PolarHBondContact O-N 3.44Å; T329-V332 PolarHBondContact O-N 3.32Å; D330-V332 VanDerWaalsContact C-N 3.33Å; D330-V332 PolarHBondContact O-N 2.88Å; V332-A335 PolarHBondContact O-N 3.41Å; V332-K336 WeakPolarHBondContact O-CB 3.44Å; V332-K336 PolarHBondContact O-N 2.82Å |
| 333 | N | 85.6 | Confident | 76.9 | Confident | 86 Ų | 86 | 105.4 Ų | 105.4 | 46% | 0.46 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.6 | -38.4 | 175.8 | -78.4 | -26 | 0 | 0 | 0 | 112.7 | T329 D330 I331 K336 K337 | T329-N333 WeakPolarHBondContact O-CB 3.47Å; T329-N333 VanDerWaalsContact O-CG 3.3Å; T329-N333 PolarHBondContact O-N 3.13Å; T329-N333 PolarHBondContact O-ND2 3.49Å; D330-N333 PolarHBondContact O-N 2.88Å; I331-N333 VanDerWaalsContact C-N 3.35Å; N333-K336 PolarHBondContact O-N 3.38Å; N333-K337 PolarHBondContact O-N 3.29Å |
| 334 | I | 84.3 | Confident | 76.7 | Confident | 101 Ų | 101 | 104.8 Ų | 104.8 | 52% | 0.518 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.1 | -46.4 | 175.3 | -67.6 | 163.5 | 0 | 0 | 0 | 110.3 | D330 I331 K336 K337 L338 | D330-I334 VanDerWaalsContact O-CG1 3.28Å; D330-I334 WeakPolarHBondContact O-CG1 3.41Å; D330-I334 PolarHBondContact O-N 3.08Å; I331-I334 PolarHBondContact O-N 3.33Å; I334-K336 VanDerWaalsContact C-N 3.27Å; I334-K336 PolarHBondContact O-N 3.1Å; I334-K337 PolarHBondContact O-N 3.13Å; I334-L338 HydrophobicContact CG2-CD1 3.75Å; I334-L338 HydrophobicContact CG2-CG 4.29Å; I334-L338 WeakPolarHBondContact O-CB 3.37Å; I334-L338 VanDerWaalsContact O-CG 3.32Å; I334-L338 WeakPolarHBondContact O-CG 3.32Å; I334-L338 PolarHBondContact O-N 2.94Å |
| 335 | A | 82.2 | Confident | 76.3 | Confident | 61 Ų | 61 | 105 Ų | 105 | 50% | 0.504 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61 | -37.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I331 V332 G339 | I331-A335 WeakPolarHBondContact O-CB 3.46Å; I331-A335 PolarHBondContact O-N 2.84Å; V332-A335 PolarHBondContact O-N 3.41Å; A335-G339 PolarHBondContact O-N 3.3Å |
| 336 | K | 85.1 | Confident | 75.4 | Confident | 144 Ų | 144 | 108.3 Ų | 108.3 | 63% | 0.626 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -69.3 | -41.8 | 176.3 | -163.7 | 174.4 | -179.1 | -179.6 | 0 | 112.3 | V332 N333 I334 G339 D340 | V332-K336 WeakPolarHBondContact O-CB 3.44Å; V332-K336 PolarHBondContact O-N 2.82Å; N333-K336 PolarHBondContact O-N 3.38Å; I334-K336 VanDerWaalsContact C-N 3.27Å; I334-K336 PolarHBondContact O-N 3.1Å; K336-G339 PolarHBondContact O-N 2.81Å; K336-D340 PolarHBondContact O-N 3.36Å |
| 337 | K | 82.5 | Confident | 74.6 | Confident | 167 Ų | 167 | 106.9 Ų | 106.9 | 73% | 0.726 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.1 | -42.1 | 173 | -87.1 | -175.4 | 173.3 | -177.7 | 0 | 112.2 | N333 I334 E341 | N333-K337 PolarHBondContact O-N 3.29Å; I334-K337 PolarHBondContact O-N 3.13Å; K337-E341 PolarHBondContact O-N 3.43Å |
| 338 | L | 80 | Confident | 73.8 | Confident | 86 Ų | 86 | 107.8 Ų | 107.8 | 45% | 0.45 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -73.8 | -24 | 179.5 | -68 | 174 | 0 | 0 | 0 | 113.6 | I334 | I334-L338 HydrophobicContact CG2-CD1 3.75Å; I334-L338 HydrophobicContact CG2-CG 4.29Å; I334-L338 WeakPolarHBondContact O-CB 3.37Å; I334-L338 VanDerWaalsContact O-CG 3.32Å; I334-L338 WeakPolarHBondContact O-CG 3.32Å; I334-L338 PolarHBondContact O-N 2.94Å |
| 339 | G | 76.8 | Confident | 72.7 | Confident | 59 Ų | 59 | 109.8 Ų | 109.8 | 61% | 0.608 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -76.8 | -28.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | A335 K336 | A335-G339 PolarHBondContact O-N 3.3Å; K336-G339 PolarHBondContact O-N 2.81Å |
| 340 | D | 67.7 | Low | 71.5 | Confident | 137 Ų | 137 | 112.8 Ų | 112.8 | 73% | 0.733 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -87.4 | -16.9 | 178.8 | -69.3 | -19.1 | 0 | 0 | 0 | 112.5 | K336 G342 | K336-D340 PolarHBondContact O-N 3.36Å; D340-G342 PolarHBondContact O-N 2.96Å |
| 341 | E | 62.9 | Low | 70.6 | Confident | 139 Ų | 139 | 113.8 Ų | 113.8 | 65% | 0.65 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -89.1 | 84.6 | 175.4 | -147.5 | 152.3 | -138.9 | 0 | 0 | 109.3 | K337 F343 | K337-E341 PolarHBondContact O-N 3.43Å; E341-F343 WeakPolarHBondContact O-CD2 3.43Å; E341-F343 PolarHBondContact O-N 3Å |
| 342 | G | 59 | Low | 69.5 | Low | 58 Ų | 58 | 117.8 Ų | 117.8 | 60% | 0.598 | 62% | 0.623 | S | S | * | * | | | trans | -51.7 | 106.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D340 S344 | D340-G342 PolarHBondContact O-N 2.96Å; G342-S344 PolarHBondContact O-N 3.36Å |
| 343 | F | 58.5 | Low | 68.4 | Low | 154 Ų | 154 | 121 Ų | 121 | 68% | 0.675 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | 14.2 | 165 | -66.9 | -83.3 | 0 | 0 | 0 | 113.4 | E341 D345 | E341-F343 WeakPolarHBondContact O-CD2 3.43Å; E341-F343 PolarHBondContact O-N 3Å; F343-D345 VanDerWaalsContact C-N 3.32Å; F343-D345 PolarHBondContact O-N 3.47Å |
| 344 | S | 62.4 | Low | 67.1 | Low | 89 Ų | 89 | 127.8 Ų | 127.8 | 62% | 0.622 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -19.5 | -174.3 | 57.8 | 0 | 0 | 0 | 0 | 114.2 | G342 | G342-S344 PolarHBondContact O-N 3.36Š|
| 345 | D | 60.1 | Low | 66 | Low | 130 Ų | 130 | 129.1 Ų | 129.1 | 70% | 0.695 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -105.8 | -7.4 | -163.4 | -69.2 | 11.4 | 0 | 0 | 0 | 114 | F343 | F343-D345 VanDerWaalsContact C-N 3.32Å; F343-D345 PolarHBondContact O-N 3.47Å |
| 346 | M | 58.7 | Low | 64.9 | Low | 167 Ų | 167 | 133.3 Ų | 133.3 | 82% | 0.823 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -100.5 | -3.9 | -172.9 | -118.6 | 177.9 | 58.1 | 0 | 0 | 115.4 | | |
| 347 | I | 61.8 | Low | 63.6 | Low | 125 Ų | 125 | 132.4 Ų | 132.4 | 64% | 0.641 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -102.7 | -19.3 | -179 | -67.1 | 171.2 | 0 | 0 | 0 | 112.4 | I351 | I347-I351 HydrophobicContact CG2-CD1 4.41Š|
| 348 | E | 60.3 | Low | 62.2 | Low | 146 Ų | 146 | 127.4 Ų | 127.4 | 68% | 0.682 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -85.5 | -31.7 | -172.9 | -152 | 172.6 | -172.3 | 0 | 0 | 113.8 | | |
| 349 | D | 59.4 | Low | 61 | Low | 116 Ų | 116 | 132.5 Ų | 132.5 | 62% | 0.62 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -79 | -32.4 | -177.5 | -81.3 | -18.6 | 0 | 0 | 0 | 113.8 | I351 R352 E353 | D349-I351 VanDerWaalsContact C-N 3.25Å; D349-I351 PolarHBondContact O-N 3.26Å; D349-R352 PolarHBondContact O-N 2.79Å; D349-R352 VanDerWaalsContact O-N 3.14Å; D349-E353 PolarHBondContact O-N 3.26Å |
| 350 | D | 62 | Low | 59.7 | Low | 128 Ų | 128 | 137.5 Ų | 137.5 | 68% | 0.684 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -70.7 | -20.6 | -178.6 | -115.8 | 20.5 | 0 | 0 | 0 | 113.2 | | |
| 351 | I | 63 | Low | 59 | Low | 106 Ų | 106 | 140.4 Ų | 140.4 | 54% | 0.544 | 72% | 0.716 | S | S | . | * | H | α-helix | trans | -86.7 | -29.1 | 175.4 | -53.4 | 174.5 | 0 | 0 | 0 | 110.4 | I347 D349 I355 | I347-I351 HydrophobicContact CG2-CD1 4.41Å; D349-I351 VanDerWaalsContact C-N 3.25Å; D349-I351 PolarHBondContact O-N 3.26Å; I351-I355 HydrophobicContact CG2-CD1 4.36Å; I351-I355 WeakPolarHBondContact O-CD1 3.32Å; I351-I355 WeakPolarHBondContact O-CG1 2.92Å |
| 352 | R | 62.2 | Low | 58.3 | Low | 187 Ų | 187 | 139.5 Ų | 139.5 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -76.9 | -34.7 | -177.1 | -124.5 | 176 | 178.1 | 173 | 2.3 | 112.7 | D349 R354 | D349-R352 PolarHBondContact O-N 2.79Å; D349-R352 VanDerWaalsContact O-N 3.14Å; R352-R354 VanDerWaalsContact C-N 3.32Å; R352-R354 PolarHBondContact O-N 3.28Å |
| 353 | E | 61.5 | Low | 58.2 | Low | 156 Ų | 156 | 143.1 Ų | 143.1 | 73% | 0.729 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -22.2 | 178.3 | -161.8 | 171.3 | -166.7 | 0 | 0 | 113 | D349 I355 | D349-E353 PolarHBondContact O-N 3.26Å; E353-I355 PolarHBondContact O-N 3.04Å |
| 354 | R | 58.9 | Low | 58.2 | Low | 228 Ų | 228 | 143.9 Ų | 143.9 | 86% | 0.86 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -10.5 | -177.3 | -143.7 | 173.7 | -178.6 | -174.1 | 1.3 | 114.7 | R352 | R352-R354 VanDerWaalsContact C-N 3.32Å; R352-R354 PolarHBondContact O-N 3.28Å |
| 355 | I | 61.6 | Low | 58.1 | Low | 128 Ų | 128 | 148.3 Ų | 148.3 | 66% | 0.656 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | -16.8 | -176.9 | -49.9 | 170.3 | 0 | 0 | 0 | 111.6 | I351 E353 | I351-I355 HydrophobicContact CG2-CD1 4.36Å; I351-I355 WeakPolarHBondContact O-CD1 3.32Å; I351-I355 WeakPolarHBondContact O-CG1 2.92Å; E353-I355 PolarHBondContact O-N 3.04Å |
| 356 | D | 58.8 | Low | 58.2 | Low | 150 Ų | 150 | 149.1 Ų | 149.1 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | 6 | -170.7 | -135 | 4.7 | 0 | 0 | 0 | 115.3 | | |
| 357 | C | 57.9 | Low | 58.4 | Low | 124 Ų | 124 | 149.6 Ų | 149.6 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | 9.1 | 170.6 | -75.1 | 0 | 0 | 0 | 0 | 114 | K359 | C357-K359 PolarHBondContact O-N 3.36Š|
| 358 | G | 52.4 | Low | 58.3 | Low | 63 Ų | 63 | 151.6 Ų | 151.6 | 65% | 0.649 | 75% | 0.752 | S | S | * | * | | | trans | -85.9 | 82.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L360 | G358-L360 PolarHBondContact O-N 3.19Š|
| 359 | K | 55.9 | Low | 58.2 | Low | 192 Ų | 192 | 149.6 Ų | 149.6 | 84% | 0.835 | 75% | 0.754 | S | S | * | * | | | trans | -35.6 | 110.1 | 168 | -137.3 | 167.8 | -171.6 | 169.7 | 0 | 111.9 | C357 F361 | C357-K359 PolarHBondContact O-N 3.36Å; K359-F361 PolarHBondContact O-N 3.3Å |
| 360 | L | 49.8 | Very low | 57.8 | Low | 164 Ų | 164 | 152.4 Ų | 152.4 | 86% | 0.859 | 77% | 0.768 | S | S | * | * | | | trans | -43.3 | 106.6 | 171.1 | -81.9 | 148.6 | 0 | 0 | 0 | 111.7 | G358 | G358-L360 PolarHBondContact O-N 3.19Š|
| 361 | F | 52.6 | Low | 57.5 | Low | 198 Ų | 198 | 152.3 Ų | 152.3 | 87% | 0.868 | 77% | 0.773 | S | S | * | * | | | trans | -85.3 | 105.5 | 155.6 | -88.1 | -83.5 | 0 | 0 | 0 | 108 | K359 N363 | K359-F361 PolarHBondContact O-N 3.3Å; F361-N363 PolarHBondContact O-N 2.97Å; F361-N363 VanDerWaalsContact O-N 3.16Å |
| 362 | T | 47.5 | Very low | 57.1 | Low | 120 Ų | 120 | 151.1 Ų | 151.1 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | | | trans | -57.5 | 109.9 | 168.6 | 35.6 | 0 | 0 | 0 | 0 | 110 | E364 | T362-E364 VanDerWaalsContact C-N 3.34Å; T362-E364 PolarHBondContact O-N 3.41Å |
| 363 | N | 56.1 | Low | 57.2 | Low | 134 Ų | 134 | 147 Ų | 147 | 72% | 0.717 | 79% | 0.787 | S | S | * | * | | | trans | -90.7 | 28.1 | -176.2 | 67.7 | -29.1 | 0 | 0 | 0 | 113.7 | F361 K365 | F361-N363 PolarHBondContact O-N 2.97Å; F361-N363 VanDerWaalsContact O-N 3.16Å; N363-K365 VanDerWaalsContact C-N 3.27Å; N363-K365 PolarHBondContact O-N 2.81Å |
| 364 | E | 59.9 | Low | 57.2 | Low | 171 Ų | 171 | 147.4 Ų | 147.4 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -9.5 | -176.2 | 80.6 | 179.1 | -154.4 | 0 | 0 | 114.5 | T362 | T362-E364 VanDerWaalsContact C-N 3.34Å; T362-E364 PolarHBondContact O-N 3.41Å |
| 365 | K | 60.1 | Low | 57.7 | Low | 181 Ų | 181 | 142.9 Ų | 142.9 | 79% | 0.787 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | -1.8 | -173 | -153.1 | 169.3 | -178.8 | 176.5 | 0 | 115.6 | N363 | N363-K365 VanDerWaalsContact C-N 3.27Å; N363-K365 PolarHBondContact O-N 2.81Å |
| 366 | L | 62.2 | Low | 58.2 | Low | 147 Ų | 147 | 143.8 Ų | 143.8 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | 3 | -174.3 | -88 | 164.8 | 0 | 0 | 0 | 115.5 | | |
| 367 | M | 61.6 | Low | 59 | Low | 177 Ų | 177 | 145.1 Ų | 145.1 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | 7.6 | -179.9 | -71.7 | -71 | -75.7 | 0 | 0 | 114.9 | | |
| 368 | Q | 59.9 | Low | 60.1 | Low | 167 Ų | 167 | 148 Ų | 148 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -114 | -1.2 | -173.4 | -71.5 | -172.4 | -8.4 | 0 | 0 | 116.5 | | |
| 369 | S | 58.3 | Low | 61.3 | Low | 104 Ų | 104 | 152.3 Ų | 152.3 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -110.5 | 16.7 | -175.6 | 58.6 | 0 | 0 | 0 | 0 | 115.6 | | |
| 370 | L | 51.6 | Low | 62.2 | Low | 175 Ų | 175 | 149.4 Ų | 149.4 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | | | trans | -107.7 | 52.1 | 173.4 | -153.4 | 78.2 | 0 | 0 | 0 | 110.9 | | |
| 371 | T | 54.9 | Low | 63.4 | Low | 126 Ų | 126 | 145.1 Ų | 145.1 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | trans | -126.4 | 94.4 | 166.2 | -21.9 | 0 | 0 | 0 | 0 | 106.5 | S373 | T371-S373 PolarHBondContact O-N 3.42Š|
| 372 | G | 54.7 | Low | 64.1 | Low | 82 Ų | 82 | 144.1 Ų | 144.1 | 85% | 0.845 | 83% | 0.827 | S | S | * | * | | | trans | -65.9 | 114 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 373 | S | 65.8 | Low | 64.9 | Low | 101 Ų | 101 | 145.4 Ų | 145.4 | 71% | 0.706 | 83% | 0.832 | S | S | * | * | | | trans | -85.2 | 102.7 | 162.1 | 59.3 | 0 | 0 | 0 | 0 | 107.9 | T371 D375 | T371-S373 PolarHBondContact O-N 3.42Å; S373-D375 PolarHBondContact O-N 3.37Å |
| 374 | D | 61.7 | Low | 65.4 | Low | 164 Ų | 164 | 145.9 Ų | 145.9 | 88% | 0.877 | 84% | 0.838 | S | S | * | * | | | trans | -59.8 | 106.2 | 152 | -98.6 | -28.2 | 0 | 0 | 0 | 107.6 | | |
| 375 | D | 68.8 | Low | 65.7 | Low | 132 Ų | 132 | 144.6 Ų | 144.6 | 71% | 0.706 | 84% | 0.84 | S | S | * | * | | | trans | -128.2 | 98.3 | 162.2 | -87.8 | -36.5 | 0 | 0 | 0 | 109.3 | S373 | S373-D375 PolarHBondContact O-N 3.37Š|
| 376 | L | 71.5 | Confident | 66 | Low | 147 Ų | 147 | 142.4 Ų | 142.4 | 77% | 0.77 | 84% | 0.843 | S | S | * | * | | | | 48.2 | 101 | 127.7 | -80.7 | 151.5 | 0 | 0 | 0 | 117.2 | E378 | L376-E378 PolarHBondContact O-N 3.45Š|
| 377 | M | 76.2 | Confident | 66.3 | Low | 179 Ų | 179 | 142.1 Ų | 142.1 | 88% | 0.882 | 85% | 0.848 | S | S | * | * | | | trans | -51.2 | 115.4 | 149.4 | 41.1 | -87.2 | -83 | 0 | 0 | 111.5 | | |
| 378 | E | 79.6 | Confident | 66.6 | Low | 183 Ų | 183 | 139.8 Ų | 139.8 | 86% | 0.855 | 85% | 0.846 | S | S | * | * | | | trans | -96.6 | 108 | 161.7 | -152.8 | 167.1 | -152.1 | 0 | 0 | 108.8 | L376 | L376-E378 PolarHBondContact O-N 3.45Š|
| 379 | D | 77.6 | Confident | 67.1 | Low | 155 Ų | 155 | 137.9 Ų | 137.9 | 83% | 0.829 | 85% | 0.851 | S | S | * | * | | | trans | -65.5 | 128.2 | 171.1 | -161 | 7.2 | 0 | 0 | 0 | 108.7 | | |
| 380 | T | 75.5 | Confident | 67.7 | Low | 131 Ų | 131 | 140.5 Ų | 140.5 | 80% | 0.804 | 86% | 0.861 | S | S | * | * | | | trans | -137.2 | 91.1 | 168.5 | -28.2 | 0 | 0 | 0 | 0 | 109 | | |
| 381 | G | 75.9 | Confident | 69.1 | Low | 74 Ų | 74 | 137.6 Ų | 137.6 | 76% | 0.763 | 86% | 0.856 | S | S | * | * | | | trans | -82 | 128.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 382 | A | 66.6 | Low | 70.4 | Confident | 177 Ų | 177 | 138.6 Ų | 138.6 | 100% | 1.463 | 86% | 0.864 | S | S | * | * | | | trans | -159 | 0 | 148.8 | 0 | 0 | 0 | 0 | 0 | 109 | | |