| 1 | M | 59.3 | Low | 69.1 | Low | 205 Ų | 205 | 110.8 Ų | 110.8 | 100% | 1.01 | 63% | 0.632 | S | S | * | * | | | | 0 | -41.5 | 0 | -58.1 | -129.9 | -75.5 | 0 | 0 | 113.1 | T3 L4 A5 | M1-T3 PolarHBondContact O-N 2.98Å; M1-L4 PolarHBondContact O-N 3.3Å; M1-A5 PolarHBondContact O-N 3.29Å |
| 2 | K | 62.9 | Low | 68.6 | Low | 201 Ų | 201 | 109.5 Ų | 109.5 | 87% | 0.874 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -61.8 | -36.5 | 178.4 | -91.7 | 127.8 | 165.8 | 178.1 | 0 | 115.4 | G6 | K2-G6 PolarHBondContact O-N 3.45Å |
| 3 | T | 67.9 | Low | 68.3 | Low | 120 Ų | 120 | 109.8 Ų | 109.8 | 74% | 0.736 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -71.7 | -32 | -179.4 | 50.2 | 0 | 0 | 0 | 0 | 113.4 | M1 L7 | M1-T3 PolarHBondContact O-N 2.98Å; T3-L7 PolarHBondContact O-N 2.81Å |
| 4 | L | 68.6 | Low | 67.6 | Low | 117 Ų | 117 | 113.1 Ų | 113.1 | 61% | 0.613 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -73.7 | -37.6 | 175.6 | -74.4 | 164.8 | 0 | 0 | 0 | 111.7 | M1 G6 L7 V8 | M1-L4 PolarHBondContact O-N 3.3Å; L4-G6 VanDerWaalsContact C-N 3.33Å; L4-G6 PolarHBondContact O-N 3.43Å; L4-L7 PolarHBondContact O-N 3.41Å; L4-V8 WeakPolarHBondContact O-CG2 3.13Å; L4-V8 PolarHBondContact O-N 3.03Å |
| 5 | A | 70.9 | Confident | 67 | Low | 63 Ų | 63 | 113.1 Ų | 113.1 | 52% | 0.521 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -62.7 | -39.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | M1 L9 | M1-A5 PolarHBondContact O-N 3.29Å; A5-L9 WeakPolarHBondContact O-CB 3.48Å; A5-L9 PolarHBondContact O-N 3.46Å |
| 6 | G | 72.4 | Confident | 66.6 | Low | 46 Ų | 46 | 110.1 Ų | 110.1 | 47% | 0.474 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -65.3 | -36.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | K2 L4 G10 | K2-G6 PolarHBondContact O-N 3.45Å; L4-G6 VanDerWaalsContact C-N 3.33Å; L4-G6 PolarHBondContact O-N 3.43Å; G6-G10 PolarHBondContact O-N 2.69Å |
| 7 | L | 76.9 | Confident | 66.2 | Low | 107 Ų | 107 | 107.8 Ų | 107.8 | 56% | 0.56 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -69.3 | -41.6 | 178.3 | -169.7 | 149.2 | 0 | 0 | 0 | 111.9 | T3 L4 G10 L11 | T3-L7 PolarHBondContact O-N 2.81Å; L4-L7 PolarHBondContact O-N 3.41Å; L7-G10 PolarHBondContact O-N 3.02Å; L7-L11 HydrophobicContact CD2-CD1 3.76Å; L7-L11 PolarHBondContact O-N 3.02Å; L7-L11 VanDerWaalsContact O-N 3.15Å |
| 8 | V | 72.4 | Confident | 65.9 | Low | 89 Ų | 89 | 107.6 Ų | 107.6 | 54% | 0.539 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -66.5 | -42.1 | 176 | 176.4 | 0 | 0 | 0 | 0 | 111 | L4 G10 L11 V12 | L4-V8 WeakPolarHBondContact O-CG2 3.13Å; L4-V8 PolarHBondContact O-N 3.03Å; V8-G10 VanDerWaalsContact C-N 3.32Å; V8-G10 PolarHBondContact O-N 3.25Å; V8-L11 PolarHBondContact O-N 3.27Å; V8-V12 WeakPolarHBondContact O-CG2 3.38Å; V8-V12 PolarHBondContact O-N 3.29Å |
| 9 | L | 70.9 | Confident | 65.7 | Low | 115 Ų | 115 | 107.4 Ų | 107.4 | 60% | 0.602 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63.6 | -38.2 | 177.8 | -169.8 | 67 | 0 | 0 | 0 | 112.1 | A5 I13 | A5-L9 WeakPolarHBondContact O-CB 3.48Å; A5-L9 PolarHBondContact O-N 3.46Å; L9-I13 HydrophobicContact CG-CD1 4.39Å; L9-I13 WeakPolarHBondContact O-CD1 3.39Å; L9-I13 WeakPolarHBondContact O-CG1 3.35Å; L9-I13 PolarHBondContact O-N 3.3Å |
| 10 | G | 69.4 | Low | 65.6 | Low | 41 Ų | 41 | 105.2 Ų | 105.2 | 42% | 0.423 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.1 | -39.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G6 L7 V8 F14 | G6-G10 PolarHBondContact O-N 2.69Å; L7-G10 PolarHBondContact O-N 3.02Å; V8-G10 VanDerWaalsContact C-N 3.32Å; V8-G10 PolarHBondContact O-N 3.25Å; G10-F14 PolarHBondContact O-N 3.3Å |
| 11 | L | 68.1 | Low | 65.7 | Low | 115 Ų | 115 | 106.1 Ų | 106.1 | 60% | 0.602 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66.7 | -39 | 178.1 | -77.4 | 169.6 | 0 | 0 | 0 | 112.6 | L7 V8 I13 F14 D15 | L7-L11 HydrophobicContact CD2-CD1 3.76Å; L7-L11 PolarHBondContact O-N 3.02Å; L7-L11 VanDerWaalsContact O-N 3.15Å; V8-L11 PolarHBondContact O-N 3.27Å; L11-I13 VanDerWaalsContact C-N 3.35Å; L11-I13 PolarHBondContact O-N 3.29Å; L11-F14 PolarHBondContact O-N 3.2Å; L11-D15 PolarHBondContact O-N 3.1Å; L11-D15 VanDerWaalsContact O-N 3.1Å |
| 12 | V | 62.9 | Low | 66 | Low | 95 Ų | 95 | 102.2 Ų | 102.2 | 58% | 0.576 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.9 | -36.6 | 179.8 | 175.3 | 0 | 0 | 0 | 0 | 112.1 | V8 A16 | V8-V12 WeakPolarHBondContact O-CG2 3.38Å; V8-V12 PolarHBondContact O-N 3.29Å; V12-A16 PolarHBondContact O-N 3.46Å |
| 13 | I | 64.6 | Low | 66.1 | Low | 113 Ų | 113 | 100.6 Ų | 100.6 | 58% | 0.579 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -71.4 | -34.5 | 178 | -61.3 | 164.9 | 0 | 0 | 0 | 111 | L9 L11 A17 | L9-I13 HydrophobicContact CG-CD1 4.39Å; L9-I13 WeakPolarHBondContact O-CD1 3.39Å; L9-I13 WeakPolarHBondContact O-CG1 3.35Å; L9-I13 PolarHBondContact O-N 3.3Å; L11-I13 VanDerWaalsContact C-N 3.35Å; L11-I13 PolarHBondContact O-N 3.29Å; I13-A17 PolarHBondContact O-N 3.06Å |
| 14 | F | 58.7 | Low | 66 | Low | 156 Ų | 156 | 102.5 Ų | 102.5 | 68% | 0.684 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -70.4 | -38.7 | 178.8 | -154.2 | -92.6 | 0 | 0 | 0 | 112 | G10 L11 A17 V18 | G10-F14 PolarHBondContact O-N 3.3Å; L11-F14 PolarHBondContact O-N 3.2Å; F14-A17 PolarHBondContact O-N 3.4Å; F14-V18 HydrophobicContact CD1-CG2 4.36Å; F14-V18 HydrophobicContact CE1-CG2 4.33Å; F14-V18 WeakPolarHBondContact O-CG2 3.48Å; F14-V18 PolarHBondContact O-N 3.15Å |
| 15 | D | 59.5 | Low | 66.1 | Low | 113 Ų | 113 | 102 Ų | 102 | 60% | 0.604 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64.3 | -41.8 | 176.7 | -138.1 | -19.9 | 0 | 0 | 0 | 111.5 | L11 A17 V18 T19 | L11-D15 PolarHBondContact O-N 3.1Å; L11-D15 VanDerWaalsContact O-N 3.1Å; D15-A17 VanDerWaalsContact C-N 3.28Å; D15-A17 PolarHBondContact O-N 3.43Å; D15-V18 PolarHBondContact O-N 3.43Å; D15-T19 PolarHBondContact O-N 3.44Å; D15-T19 PolarHBondContact O-OG1 3.27Å |
| 16 | A | 59.3 | Low | 65.8 | Low | 65 Ų | 65 | 105.6 Ų | 105.6 | 54% | 0.537 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -62.4 | -32 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | V12 T19 | V12-A16 PolarHBondContact O-N 3.46Å; A16-T19 PolarHBondContact O-OG1 3.5Å; A16-T19 VanDerWaalsContact O-OG1 3.13Å |
| 17 | A | 59.9 | Low | 65.7 | Low | 71 Ų | 71 | 110.4 Ų | 110.4 | 59% | 0.587 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -75.8 | -28.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I13 F14 D15 | I13-A17 PolarHBondContact O-N 3.06Å; F14-A17 PolarHBondContact O-N 3.4Å; D15-A17 VanDerWaalsContact C-N 3.28Å; D15-A17 PolarHBondContact O-N 3.43Å |
| 18 | V | 60.8 | Low | 64.9 | Low | 105 Ų | 105 | 113.6 Ų | 113.6 | 64% | 0.636 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -81.1 | -23.3 | -179.3 | 176.1 | 0 | 0 | 0 | 0 | 111.9 | F14 D15 A20 | F14-V18 HydrophobicContact CD1-CG2 4.36Å; F14-V18 HydrophobicContact CE1-CG2 4.33Å; F14-V18 WeakPolarHBondContact O-CG2 3.48Å; F14-V18 PolarHBondContact O-N 3.15Å; D15-V18 PolarHBondContact O-N 3.43Å; V18-A20 VanDerWaalsContact C-N 3.33Å |
| 19 | T | 62.4 | Low | 64.5 | Low | 104 Ų | 104 | 113.9 Ų | 113.9 | 64% | 0.638 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -0.6 | 174.8 | 52.7 | 0 | 0 | 0 | 0 | 114.6 | D15 A16 P21 | D15-T19 PolarHBondContact O-N 3.44Å; D15-T19 PolarHBondContact O-OG1 3.27Å; A16-T19 PolarHBondContact O-OG1 3.5Å; A16-T19 VanDerWaalsContact O-OG1 3.13Å; T19-P21 WeakPolarHBondContact O-CD 3.37Å |
| 20 | A | 63.3 | Low | 64.3 | Low | 63 Ų | 63 | 112.6 Ų | 112.6 | 52% | 0.521 | 65% | 0.648 | S | S | . | * | S | Bend | trans | -69.1 | 121.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | V18 T22 | V18-A20 VanDerWaalsContact C-N 3.33Å; A20-T22 PolarHBondContact O-N 2.68Å |
| 21 | P | 69.1 | Low | 64 | Low | 124 Ų | 124 | 117.4 Ų | 117.4 | 81% | 0.805 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 130.9 | 175.6 | 23.4 | -30.4 | 0 | 0 | 0 | 109.2 | T19 L23 | T19-P21 WeakPolarHBondContact O-CD 3.37Å; P21-L23 PolarHBondContact O-N 2.87Å; P21-L23 VanDerWaalsContact O-N 3.16Å |
| 22 | T | 64.4 | Low | 63.9 | Low | 124 Ų | 124 | 116.1 Ų | 116.1 | 76% | 0.761 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 117.8 | 170.9 | 44.2 | 0 | 0 | 0 | 0 | 108.1 | A20 E24 | A20-T22 PolarHBondContact O-N 2.68Å; T22-E24 VanDerWaalsContact C-N 3.32Å; T22-E24 PolarHBondContact O-N 3.36Å |
| 23 | L | 64.6 | Low | 63.9 | Low | 166 Ų | 166 | 118.9 Ų | 118.9 | 87% | 0.869 | 66% | 0.658 | S | S | * | * | | | trans | -67.9 | 95.2 | 174.7 | -147.3 | -176.3 | 0 | 0 | 0 | 106.7 | P21 S25 | P21-L23 PolarHBondContact O-N 2.87Å; P21-L23 VanDerWaalsContact O-N 3.16Å; L23-S25 PolarHBondContact O-N 3.13Å; L23-S25 VanDerWaalsContact O-N 3.09Å |
| 24 | E | 67.3 | Low | 63.8 | Low | 160 Ų | 160 | 118.1 Ų | 118.1 | 75% | 0.748 | 66% | 0.655 | S | S | * | * | | | trans | -63.4 | 114 | 172.8 | -71.1 | -161.8 | 165.4 | 0 | 0 | 107.5 | T22 I26 | T22-E24 VanDerWaalsContact C-N 3.32Å; T22-E24 PolarHBondContact O-N 3.36Å; E24-I26 PolarHBondContact O-N 3.28Å |
| 25 | S | 69.1 | Low | 64 | Low | 107 Ų | 107 | 113.8 Ų | 113.8 | 75% | 0.748 | 65% | 0.648 | S | S | * | * | | | trans | -67.1 | 102.8 | 170.5 | 55.8 | 0 | 0 | 0 | 0 | 107.2 | L23 N27 | L23-S25 PolarHBondContact O-N 3.13Å; L23-S25 VanDerWaalsContact O-N 3.09Å; S25-N27 PolarHBondContact O-N 3.18Å |
| 26 | I | 66.4 | Low | 64.1 | Low | 138 Ų | 138 | 112.5 Ų | 112.5 | 71% | 0.708 | 64% | 0.644 | S | S | * | * | | | trans | -61.1 | 108.6 | 172.6 | -59.2 | 174.6 | 0 | 0 | 0 | 107 | E24 Y28 | E24-I26 PolarHBondContact O-N 3.28Å; I26-Y28 HydrophobicContact CG2-CD2 3.92Å; I26-Y28 HydrophobicContact CG2-CE2 3.88Å; I26-Y28 PolarHBondContact O-N 3.28Å |
| 27 | N | 69.1 | Low | 64.3 | Low | 148 Ų | 148 | 114.7 Ų | 114.7 | 79% | 0.791 | 65% | 0.647 | S | S | * | * | | | trans | -79.8 | 103.1 | 172.9 | -170.2 | -7.9 | 0 | 0 | 0 | 107.6 | S25 D29 | S25-N27 PolarHBondContact O-N 3.18Å; N27-D29 PolarHBondContact O-N 3.08Å |
| 28 | Y | 60 | Low | 64.4 | Low | 174 Ų | 174 | 117.5 Ų | 117.5 | 68% | 0.682 | 65% | 0.648 | S | S | * | * | | | trans | -72.1 | 107.6 | 173.4 | -94.4 | -93.5 | 0 | 0 | 0 | 108.9 | I26 S30 | I26-Y28 HydrophobicContact CG2-CD2 3.92Å; I26-Y28 HydrophobicContact CG2-CE2 3.88Å; I26-Y28 PolarHBondContact O-N 3.28Å; Y28-S30 PolarHBondContact O-N 2.76Å; Y28-S30 VanDerWaalsContact O-N 3.08Å |
| 29 | D | 64.9 | Low | 64.6 | Low | 95 Ų | 95 | 118.4 Ų | 118.4 | 51% | 0.508 | 65% | 0.649 | S | S | . | * | | | trans | -75.2 | 95.1 | 174.6 | -169.8 | 9.5 | 0 | 0 | 0 | 109.7 | N27 E31 T32 | N27-D29 PolarHBondContact O-N 3.08Å; D29-E31 PolarHBondContact O-N 3.33Å; D29-E31 WeakPolarHBondContact OD1-CB 3.28Å; D29-E31 WeakPolarHBondContact OD1-CG 3.49Å; D29-E31 PolarHBondContact OD1-N 3.38Å; D29-T32 PolarHBondContact O-N 3.36Å |
| 30 | S | 65.3 | Low | 64.7 | Low | 87 Ų | 87 | 118 Ų | 118 | 61% | 0.608 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -24.7 | -179 | -166.7 | 0 | 0 | 0 | 0 | 112.5 | Y28 T32 Y33 D34 | Y28-S30 PolarHBondContact O-N 2.76Å; Y28-S30 VanDerWaalsContact O-N 3.08Å; S30-T32 PolarHBondContact O-N 3.36Å; S30-Y33 PolarHBondContact O-N 2.03Å; S30-D34 PolarHBondContact O-N 3.28Å |
| 31 | E | 63.8 | Low | 64.7 | Low | 143 Ų | 143 | 120.6 Ų | 120.6 | 67% | 0.668 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -67.7 | -23 | -177 | -49.7 | -65.2 | 135.9 | 0 | 0 | 112.3 | D29 | D29-E31 PolarHBondContact O-N 3.33Å; D29-E31 WeakPolarHBondContact OD1-CB 3.28Å; D29-E31 WeakPolarHBondContact OD1-CG 3.49Å; D29-E31 PolarHBondContact OD1-N 3.38Å |
| 32 | T | 67 | Low | 64.4 | Low | 87 Ų | 87 | 120.7 Ų | 120.7 | 53% | 0.534 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -74.1 | -33.5 | 177.2 | -61.8 | 0 | 0 | 0 | 0 | 112.1 | D29 S30 | D29-T32 PolarHBondContact O-N 3.36Å; S30-T32 PolarHBondContact O-N 3.36Å |
| 33 | Y | 62.9 | Low | 64.5 | Low | 154 Ų | 154 | 121 Ų | 121 | 60% | 0.604 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -79.2 | -33.2 | -179.8 | -80.4 | -85.4 | 0 | 0 | 0 | 112.2 | S30 A35 T36 L37 | S30-Y33 PolarHBondContact O-N 2.03Å; Y33-A35 PolarHBondContact O-N 3.4Å; Y33-T36 PolarHBondContact O-N 3.43Å; Y33-T36 VanDerWaalsContact O-N 3.15Å; Y33-T36 PolarHBondContact O-OG1 3.31Å; Y33-L37 PolarHBondContact O-N 2.83Å |
| 34 | D | 62.1 | Low | 64.2 | Low | 97 Ų | 97 | 120.1 Ų | 120.1 | 52% | 0.519 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -63.2 | -42.7 | -179 | -149.6 | 17.8 | 0 | 0 | 0 | 111.5 | S30 T36 L37 E38 | S30-D34 PolarHBondContact O-N 3.28Å; D34-T36 PolarHBondContact O-N 2.72Å; D34-L37 PolarHBondContact O-N 2.84Å; D34-E38 PolarHBondContact O-N 3.2Å |
| 35 | A | 63.1 | Low | 64.1 | Low | 64 Ų | 64 | 116.4 Ų | 116.4 | 53% | 0.529 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -61.9 | -28.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y33 | Y33-A35 PolarHBondContact O-N 3.4Å |
| 36 | T | 61.9 | Low | 63.7 | Low | 86 Ų | 86 | 119.8 Ų | 119.8 | 53% | 0.528 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -81.1 | -22.4 | 177 | 63.4 | 0 | 0 | 0 | 0 | 113.1 | Y33 D34 L40 | Y33-T36 PolarHBondContact O-N 3.43Å; Y33-T36 VanDerWaalsContact O-N 3.15Å; Y33-T36 PolarHBondContact O-OG1 3.31Å; D34-T36 PolarHBondContact O-N 2.72Å; T36-L40 PolarHBondContact O-N 3.16Å |
| 37 | L | 63.7 | Low | 63.5 | Low | 112 Ų | 112 | 121.6 Ų | 121.6 | 59% | 0.586 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -82.5 | -39.1 | -177.9 | -149.9 | 159.3 | 0 | 0 | 0 | 110.6 | Y33 D34 D39 L40 D41 | Y33-L37 PolarHBondContact O-N 2.83Å; D34-L37 PolarHBondContact O-N 2.84Å; L37-D39 VanDerWaalsContact C-N 3.32Å; L37-D39 PolarHBondContact O-N 2.9Å; L37-L40 PolarHBondContact O-N 2.86Å; L37-D41 PolarHBondContact O-N 3.06Å |
| 38 | E | 61.9 | Low | 63 | Low | 130 Ų | 130 | 121 Ų | 121 | 61% | 0.607 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -61.7 | -36.8 | 172 | -75.5 | -179.5 | 134.1 | 0 | 0 | 112.7 | D34 N42 | D34-E38 PolarHBondContact O-N 3.2Å; E38-N42 PolarHBondContact O-N 3Å; E38-N42 PolarHBondContact O-ND2 2.82Å |
| 39 | D | 63.9 | Low | 63.2 | Low | 123 Ų | 123 | 117.5 Ų | 117.5 | 66% | 0.658 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69.8 | -35.2 | 176.7 | -163.7 | 44.6 | 0 | 0 | 0 | 111.8 | L37 L43 | L37-D39 VanDerWaalsContact C-N 3.32Å; L37-D39 PolarHBondContact O-N 2.9Å; D39-L43 PolarHBondContact O-N 3.04Å |
| 40 | L | 63.8 | Low | 62.8 | Low | 96 Ų | 96 | 118.3 Ų | 118.3 | 50% | 0.503 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -71.8 | -37 | 177.6 | -166.7 | 63.8 | 0 | 0 | 0 | 112.6 | T36 L37 N42 L43 Y44 | T36-L40 PolarHBondContact O-N 3.16Å; L37-L40 PolarHBondContact O-N 2.86Å; L40-N42 VanDerWaalsContact C-N 3.3Å; L40-N42 PolarHBondContact O-N 3.09Å; L40-L43 PolarHBondContact O-N 3.36Å; L40-Y44 HydrophobicContact CD1-CD2 3.9Å; L40-Y44 HydrophobicContact CD1-CE2 3.64Å; L40-Y44 HydrophobicContact CG-CD2 4.22Å; L40-Y44 HydrophobicContact CG-CE2 4.37Å; L40-Y44 PolarHBondContact O-N 2.94Å |
| 41 | D | 64.2 | Low | 62.6 | Low | 118 Ų | 118 | 120.9 Ų | 120.9 | 63% | 0.631 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63.9 | -36.6 | 176.5 | -166.3 | 64.1 | 0 | 0 | 0 | 111.7 | L37 L43 | L37-D41 PolarHBondContact O-N 3.06Å; D41-L43 PolarHBondContact O-N 2.9Å |
| 42 | N | 63.8 | Low | 62.5 | Low | 125 Ų | 125 | 121.5 Ų | 121.5 | 67% | 0.668 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.6 | -29.8 | 174.2 | -79.3 | -75.5 | 0 | 0 | 0 | 113.3 | E38 L40 | E38-N42 PolarHBondContact O-N 3Å; E38-N42 PolarHBondContact O-ND2 2.82Å; L40-N42 VanDerWaalsContact C-N 3.3Å; L40-N42 PolarHBondContact O-N 3.09Å |
| 43 | L | 65.9 | Low | 61.8 | Low | 132 Ų | 132 | 126.7 Ų | 126.7 | 69% | 0.691 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -75.7 | -28.8 | -179.8 | -174.2 | 61.5 | 0 | 0 | 0 | 113 | D39 L40 D41 | D39-L43 PolarHBondContact O-N 3.04Å; L40-L43 PolarHBondContact O-N 3.36Å; D41-L43 PolarHBondContact O-N 2.9Å |
| 44 | Y | 58.8 | Low | 61.5 | Low | 147 Ų | 147 | 124.9 Ų | 124.9 | 58% | 0.576 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | 38.7 | -176.6 | -74.4 | -82.5 | 0 | 0 | 0 | 113.6 | L40 Y46 | L40-Y44 HydrophobicContact CD1-CD2 3.9Å; L40-Y44 HydrophobicContact CD1-CE2 3.64Å; L40-Y44 HydrophobicContact CG-CD2 4.22Å; L40-Y44 HydrophobicContact CG-CE2 4.37Å; L40-Y44 PolarHBondContact O-N 2.94Å; Y44-Y46 HydrophobicContact CD1-CE2 4.11Å; Y44-Y46 WeakPolarHBondContact O-CD2 3.01Å; Y44-Y46 PolarHBondContact O-N 3.29Å |
| 45 | N | 65.1 | Low | 61 | Low | 82 Ų | 82 | 129.3 Ų | 129.3 | 44% | 0.439 | 67% | 0.668 | S | S | . | * | | | trans | -73.3 | 88.4 | 173.7 | -163.6 | -69 | 0 | 0 | 0 | 111.1 | E47 N48 | N45-E47 PolarHBondContact O-N 3Å; N45-E47 VanDerWaalsContact OD1-CB 3.27Å; N45-E47 WeakPolarHBondContact OD1-CB 3.05Å; N45-E47 PolarHBondContact OD1-N 2.83Å; N45-N48 PolarHBondContact OD1-ND2 3.5Å; N45-N48 VanDerWaalsContact OD1-ND2 3.17Å |
| 46 | Y | 59.7 | Low | 60.8 | Low | 178 Ų | 178 | 132.5 Ų | 132.5 | 70% | 0.698 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -67.6 | -4.7 | 175 | -85.7 | -86.8 | 0 | 0 | 0 | 113.9 | Y44 N48 I49 | Y44-Y46 HydrophobicContact CD1-CE2 4.11Å; Y44-Y46 WeakPolarHBondContact O-CD2 3.01Å; Y44-Y46 PolarHBondContact O-N 3.29Å; Y46-N48 VanDerWaalsContact C-N 3.34Å; Y46-N48 PolarHBondContact O-N 2.98Å; Y46-I49 HydrophobicContact CD1-CD1 3.86Å; Y46-I49 HydrophobicContact CE1-CD1 4.36Å |
| 47 | E | 62.7 | Low | 60.3 | Low | 175 Ų | 175 | 137 Ų | 137 | 82% | 0.818 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -83.9 | -9.2 | -171.3 | -127.1 | 159.4 | -174.6 | 0 | 0 | 113.4 | N45 | N45-E47 PolarHBondContact O-N 3Å; N45-E47 VanDerWaalsContact OD1-CB 3.27Å; N45-E47 WeakPolarHBondContact OD1-CB 3.05Å; N45-E47 PolarHBondContact OD1-N 2.83Å |
| 48 | N | 59.1 | Low | 59.9 | Low | 135 Ų | 135 | 138.7 Ų | 138.7 | 72% | 0.722 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -115.7 | 25.7 | 178.8 | -72.6 | -77.2 | 0 | 0 | 0 | 114.1 | N45 Y46 P50 | N45-N48 PolarHBondContact OD1-ND2 3.5Å; N45-N48 VanDerWaalsContact OD1-ND2 3.17Å; Y46-N48 VanDerWaalsContact C-N 3.34Å; Y46-N48 PolarHBondContact O-N 2.98Å; N48-P50 VanDerWaalsContact O-CD 3.23Å; N48-P50 WeakPolarHBondContact O-CD 3.41Å |
| 49 | I | 62.7 | Low | 59.4 | Low | 102 Ų | 102 | 136.1 Ų | 136.1 | 52% | 0.523 | 70% | 0.699 | S | S | . | * | | | trans | -82.4 | 113 | 166.3 | -53.1 | -178.7 | 0 | 0 | 0 | 107.2 | Y46 V51 | Y46-I49 HydrophobicContact CD1-CD1 3.86Å; Y46-I49 HydrophobicContact CE1-CD1 4.36Å; I49-V51 VanDerWaalsContact O-CG2 3.32Å; I49-V51 WeakPolarHBondContact O-CG2 3.46Å; I49-V51 PolarHBondContact O-N 2.77Å |
| 50 | P | 58.1 | Low | 59.2 | Low | 112 Ų | 112 | 136.6 Ų | 136.6 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | | | trans | -68 | 102.3 | 176.2 | 26.2 | -31.6 | 0 | 0 | 0 | 109.8 | N48 D52 | N48-P50 VanDerWaalsContact O-CD 3.23Å; N48-P50 WeakPolarHBondContact O-CD 3.41Å; P50-D52 PolarHBondContact O-N 3.12Å |
| 51 | V | 61.1 | Low | 58.9 | Low | 140 Ų | 140 | 137.6 Ų | 137.6 | 85% | 0.848 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 24.4 | -178.4 | -170.1 | 0 | 0 | 0 | 0 | 112.8 | I49 | I49-V51 VanDerWaalsContact O-CG2 3.32Å; I49-V51 WeakPolarHBondContact O-CG2 3.46Å; I49-V51 PolarHBondContact O-N 2.77Å |
| 52 | D | 60.2 | Low | 58.2 | Low | 157 Ų | 157 | 139.7 Ų | 139.7 | 84% | 0.84 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.5 | 14.8 | -171.5 | -130.8 | -24.9 | 0 | 0 | 0 | 114.6 | P50 | P50-D52 PolarHBondContact O-N 3.12Š|
| 53 | K | 53.2 | Low | 57.4 | Low | 195 Ų | 195 | 139.7 Ų | 139.7 | 85% | 0.848 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -153.8 | 44.9 | 173.4 | -150 | 178 | -178.1 | 174.8 | 0 | 115.4 | | |
| 54 | V | 57.3 | Low | 56.8 | Low | 117 Ų | 117 | 138.9 Ų | 138.9 | 71% | 0.709 | 74% | 0.737 | S | S | * | * | | | trans | -124.9 | 74.2 | 159.7 | -164.2 | 0 | 0 | 0 | 0 | 107.8 | I56 | V54-I56 HydrophobicContact CB-CG1 4.39Å; V54-I56 HydrophobicContact CG1-CD1 4.32Å; V54-I56 HydrophobicContact CG1-CG1 3.4Å; V54-I56 VanDerWaalsContact CG1-CG1 3.4Å; V54-I56 PolarHBondContact O-N 3.23Å |
| 55 | E | 51 | Low | 56 | Low | 189 Ų | 189 | 135 Ų | 135 | 88% | 0.883 | 74% | 0.742 | S | S | * | * | | | trans | -66.7 | 92.2 | 153.6 | -76.6 | 178.6 | 160.6 | 0 | 0 | 106 | E57 | E55-E57 VanDerWaalsContact C-N 3.27Å; E55-E57 PolarHBondContact O-N 3.08Å |
| 56 | I | 58.6 | Low | 55.6 | Low | 132 Ų | 132 | 138.2 Ų | 138.2 | 68% | 0.677 | 76% | 0.759 | S | S | * | * | | | trans | -71.1 | 92 | 170.2 | -44.2 | 160.7 | 0 | 0 | 0 | 105 | V54 I58 | V54-I56 HydrophobicContact CB-CG1 4.39Å; V54-I56 HydrophobicContact CG1-CD1 4.32Å; V54-I56 HydrophobicContact CG1-CG1 3.4Å; V54-I56 VanDerWaalsContact CG1-CG1 3.4Å; V54-I56 PolarHBondContact O-N 3.23Å; I56-I58 VanDerWaalsContact C-N 3.33Å; I56-I58 HydrophobicContact CG2-CG1 4.49Å; I56-I58 PolarHBondContact O-N 3.33Å |
| 57 | E | 50.9 | Low | 55.1 | Low | 181 Ų | 181 | 140.5 Ų | 140.5 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | | | trans | -62.2 | 101.9 | 162.2 | -81.8 | -170.2 | 153.8 | 0 | 0 | 107 | E55 A59 | E55-E57 VanDerWaalsContact C-N 3.27Å; E55-E57 PolarHBondContact O-N 3.08Å; E57-A59 PolarHBondContact O-N 2.72Å |
| 58 | I | 55.8 | Low | 54.5 | Low | 146 Ų | 146 | 141 Ų | 141 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | | | trans | -71.2 | 79.4 | 171.2 | -48.7 | 169.8 | 0 | 0 | 0 | 106.6 | I56 T60 | I56-I58 VanDerWaalsContact C-N 3.33Å; I56-I58 HydrophobicContact CG2-CG1 4.49Å; I56-I58 PolarHBondContact O-N 3.33Å; I58-T60 PolarHBondContact O-N 3.25Å; I58-T60 VanDerWaalsContact O-N 3.12Å |
| 59 | A | 52.7 | Low | 53.9 | Low | 76 Ų | 76 | 141.7 Ų | 141.7 | 63% | 0.628 | 77% | 0.771 | S | S | * | * | | | trans | -74 | 98.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | E57 V61 | E57-A59 PolarHBondContact O-N 2.72Å; A59-V61 HydrophobicContact CB-CG2 4.15Å; A59-V61 PolarHBondContact O-N 3.28Å |
| 60 | T | 58.7 | Low | 53 | Low | 133 Ų | 133 | 145.2 Ų | 145.2 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | | | trans | -65.1 | 70.7 | 165.4 | 19.2 | 0 | 0 | 0 | 0 | 109.6 | I58 M62 | I58-T60 PolarHBondContact O-N 3.25Å; I58-T60 VanDerWaalsContact O-N 3.12Å; T60-M62 PolarHBondContact O-N 3.29Å |
| 61 | V | 57 | Low | 52.5 | Low | 117 Ų | 117 | 145.8 Ų | 145.8 | 71% | 0.709 | 79% | 0.792 | S | S | * | * | | | trans | -93.2 | 99.5 | 168.8 | -179.1 | 0 | 0 | 0 | 0 | 107 | A59 | A59-V61 HydrophobicContact CB-CG2 4.15Å; A59-V61 PolarHBondContact O-N 3.28Å |
| 62 | M | 50.4 | Low | 51.8 | Low | 163 Ų | 163 | 144.2 Ų | 144.2 | 80% | 0.803 | 79% | 0.785 | S | S | * | * | | | trans | -54.9 | 127.9 | 162.6 | -68.1 | -69 | -81.6 | 0 | 0 | 107.8 | T60 S64 | T60-M62 PolarHBondContact O-N 3.29Å; M62-S64 VanDerWaalsContact C-N 3.3Å; M62-S64 PolarHBondContact O-N 3.19Å |
| 63 | P | 46 | Very low | 50.9 | Low | 124 Ų | 124 | 142.3 Ų | 142.3 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | | | trans | -69.5 | 93.6 | 173.3 | -1.9 | 15.8 | 0 | 0 | 0 | 107.9 | G65 | P63-G65 PolarHBondContact O-N 3.46Š|
| 64 | S | 54.1 | Low | 50.2 | Low | 116 Ų | 116 | 139.2 Ų | 139.2 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | | | trans | -73 | 84 | 162.9 | -175.1 | 0 | 0 | 0 | 0 | 107.3 | M62 | M62-S64 VanDerWaalsContact C-N 3.3Å; M62-S64 PolarHBondContact O-N 3.19Å |
| 65 | G | 42.4 | Very low | 49.3 | Very low | 66 Ų | 66 | 142.5 Ų | 142.5 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | | | trans | -94.9 | 90.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | P63 R67 | P63-G65 PolarHBondContact O-N 3.46Å; G65-R67 PolarHBondContact O-N 2.81Å |
| 66 | N | 56.9 | Low | 49 | Very low | 148 Ų | 148 | 138.5 Ų | 138.5 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | | | trans | -70.6 | 71.8 | 161.7 | 60.4 | -27.7 | 0 | 0 | 0 | 109.6 | E68 | N66-E68 PolarHBondContact O-N 2.94Š|
| 67 | R | 48.3 | Very low | 47.9 | Very low | 226 Ų | 226 | 140.2 Ų | 140.2 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | | | trans | -81.9 | 103.6 | 159.3 | -99.5 | 173.8 | 99.2 | 153.6 | 1.4 | 106.9 | G65 L69 | G65-R67 PolarHBondContact O-N 2.81Å; R67-L69 VanDerWaalsContact C-N 3.26Å; R67-L69 PolarHBondContact O-N 3.07Å |
| 68 | E | 49.5 | Very low | 47 | Very low | 187 Ų | 187 | 140.2 Ų | 140.2 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | | | trans | -54.9 | 95.7 | 162.6 | -70.8 | -175.8 | 116.4 | 0 | 0 | 108.2 | N66 L70 | N66-E68 PolarHBondContact O-N 2.94Å; E68-L70 PolarHBondContact O-N 3.23Å |
| 69 | L | 46.3 | Very low | 46.2 | Very low | 149 Ų | 149 | 137.6 Ų | 137.6 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | | | trans | -71.8 | 104.9 | 165.5 | -77.4 | 162.9 | 0 | 0 | 0 | 105.9 | R67 T71 | R67-L69 VanDerWaalsContact C-N 3.26Å; R67-L69 PolarHBondContact O-N 3.07Å; L69-T71 PolarHBondContact O-N 3.39Å; L69-T71 PolarHBondContact O-OG1 3.46Å |
| 70 | L | 44.1 | Very low | 45.3 | Very low | 176 Ų | 176 | 142.5 Ų | 142.5 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | | | trans | -52.4 | 102.7 | 169.2 | -73.8 | 162.7 | 0 | 0 | 0 | 108.3 | E68 | E68-L70 PolarHBondContact O-N 3.23Š|
| 71 | T | 47.6 | Very low | 44.2 | Very low | 124 Ų | 124 | 144.5 Ų | 144.5 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 132.7 | 177.7 | -37.8 | 0 | 0 | 0 | 0 | 107.9 | L69 | L69-T71 PolarHBondContact O-N 3.39Å; L69-T71 PolarHBondContact O-OG1 3.46Å |
| 72 | P | 46.2 | Very low | 43.2 | Very low | 107 Ų | 107 | 147.6 Ų | 147.6 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -66 | 151.7 | 172.4 | 27.8 | -31.6 | 0 | 0 | 0 | 110.2 | | |
| 73 | P | 41.3 | Very low | 42.8 | Very low | 116 Ų | 116 | 148.8 Ų | 148.8 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 146.6 | -168 | 29.4 | -34.5 | 0 | 0 | 0 | 111.9 | | |
| 74 | P | 40 | Very low | 42.5 | Very low | 130 Ų | 130 | 152.3 Ų | 152.3 | 84% | 0.844 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 126.2 | 174.2 | 31.3 | -31 | 0 | 0 | 0 | 109.5 | | |
| 75 | Q | 36.9 | Very low | 42.1 | Very low | 186 Ų | 186 | 155.8 Ų | 155.8 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 150.5 | 162.3 | -81.8 | -160.6 | -7.6 | 0 | 0 | 110.9 | | |
| 76 | P | 45.8 | Very low | 42 | Very low | 106 Ų | 106 | 161.7 Ų | 161.7 | 69% | 0.688 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 167.9 | -150.3 | 38.7 | -32.3 | 0 | 0 | 0 | 114.6 | | |
| 77 | E | 35.6 | Very low | 41.3 | Very low | 168 Ų | 168 | 163 Ų | 163 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | | | trans | 72.6 | 129.5 | 160.3 | -104.4 | 179.8 | 105.1 | 0 | 0 | 116.3 | | |
| 78 | K | 32.4 | Very low | 40.9 | Very low | 181 Ų | 181 | 157.1 Ų | 157.1 | 79% | 0.787 | 82% | 0.815 | S | S | * | * | | | cis | -150.8 | 148.5 | 35.8 | -68.3 | -177.5 | 177.9 | 177.1 | 0 | 112.3 | | |
| 79 | A | 37.9 | Very low | 40.4 | Very low | 90 Ų | 90 | 153.9 Ų | 153.9 | 74% | 0.744 | 81% | 0.808 | S | S | * | * | | | trans | -73.3 | 153.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 80 | Q | 33 | Very low | 40.4 | Very low | 179 Ų | 179 | 152.5 Ų | 152.5 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | | | trans | 153.5 | 98.2 | 145 | -84.7 | 167.6 | -19 | 0 | 0 | 107.4 | | |
| 81 | E | 37.2 | Very low | 40.3 | Very low | 175 Ų | 175 | 155.6 Ų | 155.6 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | | 71.6 | 127.2 | 86.6 | -89.8 | 176.7 | -177.1 | 0 | 0 | 114.5 | | |
| 82 | E | 34.9 | Very low | 40.1 | Very low | 183 Ų | 183 | 158.1 Ų | 158.1 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | | | trans | 95.1 | 141.2 | 150.9 | -69.5 | 175.4 | 178.3 | 0 | 0 | 121.6 | | |
| 83 | E | 42.4 | Very low | 40.2 | Very low | 188 Ų | 188 | 161 Ų | 161 | 88% | 0.879 | 82% | 0.823 | S | S | * | * | | | trans | -63 | 146.2 | -170.6 | -61.8 | 156.4 | 160.9 | 0 | 0 | 113.3 | | |
| 84 | E | 39.1 | Very low | 40.2 | Very low | 198 Ų | 198 | 163.3 Ų | 163.3 | 93% | 0.925 | 83% | 0.829 | S | S | * | * | | | trans | -160.3 | 133.2 | 133 | -132.1 | 170.4 | 179.5 | 0 | 0 | 112.1 | | |
| 85 | E | 45.9 | Very low | 40 | Very low | 189 Ų | 189 | 159.8 Ų | 159.8 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | | | trans | -79 | 123.6 | 173.9 | 179 | -178.3 | -159.6 | 0 | 0 | 108.9 | | |
| 86 | E | 41.7 | Very low | 39.9 | Very low | 189 Ų | 189 | 156.6 Ų | 156.6 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | | | trans | -155.5 | 115 | 152.3 | -147.7 | 179.5 | 130.3 | 0 | 0 | 112.7 | | |
| 87 | E | 41.3 | Very low | 39.8 | Very low | 176 Ų | 176 | 156.9 Ų | 156.9 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | | | trans | -31.5 | 141.9 | 153.6 | 179.1 | 178.8 | 179.4 | 0 | 0 | 115.2 | | |
| 88 | S | 40 | Very low | 40.5 | Very low | 103 Ų | 103 | 154.2 Ų | 154.2 | 72% | 0.72 | 82% | 0.817 | S | S | * | * | | | trans | 167.5 | 103 | 132.7 | -169.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 89 | T | 39.8 | Very low | 40.5 | Very low | 118 Ų | 118 | 154.7 Ų | 154.7 | 72% | 0.724 | 82% | 0.822 | S | S | * | * | | | trans | 63.5 | 132.4 | 134.3 | -34.7 | 0 | 0 | 0 | 0 | 122 | | |
| 90 | P | 45.6 | Very low | 40.7 | Very low | 120 Ų | 120 | 158.2 Ų | 158.2 | 78% | 0.779 | 82% | 0.823 | S | S | * | * | | | trans | -81 | 133.9 | 175.7 | 33.2 | -32.7 | 0 | 0 | 0 | 112 | | |
| 91 | R | 41.5 | Very low | 41 | Very low | 242 Ų | 242 | 155.5 Ų | 155.5 | 91% | 0.913 | 82% | 0.821 | S | S | * | * | | | trans | -90.6 | 107.6 | 173.7 | -76.1 | -172 | 158.1 | -155.8 | -5.2 | 111.2 | | |
| 92 | L | 43.8 | Very low | 41.5 | Very low | 176 Ų | 176 | 155 Ų | 155 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | | | trans | -70 | 135.2 | 158.6 | -73.1 | 160.9 | 0 | 0 | 0 | 108.9 | | |
| 93 | I | 48.3 | Very low | 41.7 | Very low | 167 Ų | 167 | 155.3 Ų | 155.3 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | | | trans | -123.1 | 125.5 | 166.9 | -19.4 | 172.6 | 0 | 0 | 0 | 108.8 | | |
| 94 | D | 41.3 | Very low | 41.9 | Very low | 165 Ų | 165 | 152.9 Ų | 152.9 | 88% | 0.882 | 82% | 0.815 | S | S | * | * | | | trans | -99.6 | 155 | -179.4 | 177.4 | 26.8 | 0 | 0 | 0 | 109.9 | | |
| 95 | G | 34.9 | Very low | 41.9 | Very low | 56 Ų | 56 | 145.4 Ų | 145.4 | 58% | 0.577 | 79% | 0.792 | S | S | * | * | | | trans | 121.5 | 91.5 | 151.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 96 | S | 36.6 | Very low | 42.1 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | | | | 78.4 | 100.1 | 125 | -55 | 0 | 0 | 0 | 0 | 123.5 | | |
| 97 | S | 42 | Very low | 42.4 | Very low | 112 Ų | 112 | 141 Ų | 141 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | | | | 46.2 | 161.5 | 115.4 | -146.9 | 0 | 0 | 0 | 0 | 123.1 | | |
| 98 | P | 50.8 | Low | 42.3 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | | | | -128.2 | 141.4 | -55.5 | 35.6 | -20.1 | 0 | 0 | 0 | 112.2 | | |
| 99 | Q | 33.6 | Very low | 42.6 | Very low | 192 Ų | 192 | 136.7 Ų | 136.7 | 90% | 0.897 | 78% | 0.781 | S | S | * | * | | | trans | -139.1 | 101 | 156.3 | -85.5 | -178 | 8.8 | 0 | 0 | 108.8 | | |
| 100 | E | 40.9 | Very low | 43.2 | Very low | 164 Ų | 164 | 139.2 Ų | 139.2 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | | | trans | -58.7 | 138.5 | 158.4 | -89 | 179.7 | 96.8 | 0 | 0 | 109.4 | E102 | E100-E102 WeakPolarHBondContact OE1-CG 3.46Š|
| 101 | P | 38.5 | Very low | 42.9 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | | | | -116.9 | 124.2 | 116.7 | 28 | -19.5 | 0 | 0 | 0 | 108.8 | F103 | P101-F103 PolarHBondContact O-N 3.31Š|
| 102 | E | 47.9 | Very low | 43.2 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | | | trans | -46.7 | 104.3 | 172.3 | -66.6 | 169.1 | 116.1 | 0 | 0 | 110.9 | E100 | E100-E102 WeakPolarHBondContact OE1-CG 3.46Š|
| 103 | F | 40.3 | Very low | 43.5 | Very low | 190 Ų | 190 | 132.8 Ų | 132.8 | 83% | 0.833 | 76% | 0.76 | S | S | * | * | | | trans | -124.1 | 95.1 | 150.2 | -159.7 | -96 | 0 | 0 | 0 | 107.7 | P101 G105 | P101-F103 PolarHBondContact O-N 3.31Å; F103-G105 PolarHBondContact O-N 3.23Å |
| 104 | T | 45.5 | Very low | 43.6 | Very low | 136 Ų | 136 | 132.6 Ų | 132.6 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | | | trans | -64.3 | 85.2 | 172.3 | -49 | 0 | 0 | 0 | 0 | 108.8 | | |
| 105 | G | 40 | Very low | 43.9 | Very low | 42 Ų | 42 | 130 Ų | 130 | 43% | 0.433 | 74% | 0.742 | S | S | . | * | | | trans | -133 | 53.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F103 L107 | F103-G105 PolarHBondContact O-N 3.23Å; G105-L107 PolarHBondContact O-N 3.15Å |
| 106 | V | 49.3 | Very low | 44.5 | Very low | 140 Ų | 140 | 132.1 Ų | 132.1 | 85% | 0.848 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 50.1 | 3.4 | 147.3 | -176.8 | 0 | 0 | 0 | 0 | 119.8 | | |
| 107 | L | 49.2 | Very low | 45.2 | Very low | 146 Ų | 146 | 130.1 Ų | 130.1 | 76% | 0.764 | 73% | 0.728 | S | S | * | * | | | trans | -134.3 | 102.9 | 177.3 | -62.9 | 174.6 | 0 | 0 | 0 | 109.4 | G105 | G105-L107 PolarHBondContact O-N 3.15Š|
| 108 | G | 37.6 | Very low | 45.6 | Very low | 64 Ų | 64 | 128.8 Ų | 128.8 | 66% | 0.66 | 72% | 0.717 | S | S | * | * | | | trans | -71.6 | 162 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | H110 | G108-H110 PolarHBondContact O-N 2.98Š|
| 109 | P | 46.4 | Very low | 45.9 | Very low | 123 Ų | 123 | 128.3 Ų | 128.3 | 80% | 0.799 | 71% | 0.709 | S | S | * | * | | | trans | -74.7 | 122.4 | -176.8 | 30.1 | -32.2 | 0 | 0 | 0 | 111.2 | | |
| 110 | H | 53.8 | Low | 47.3 | Very low | 171 Ų | 171 | 123.9 Ų | 123.9 | 79% | 0.792 | 69% | 0.691 | S | S | * | * | | | trans | 13.2 | 107.1 | 159.4 | -60 | -74.6 | 0 | 0 | 0 | 118.1 | G108 | G108-H110 PolarHBondContact O-N 2.98Š|
| 111 | T | 38.6 | Very low | 48.7 | Very low | 89 Ų | 89 | 116.9 Ų | 116.9 | 55% | 0.546 | 66% | 0.659 | S | S | . | * | | | trans | -122.2 | 108.4 | 149.9 | 56.1 | 0 | 0 | 0 | 0 | 108.8 | F115 | T111-F115 WeakPolarHBondContact O-CE2 3.1Š|
| 112 | N | 47.7 | Very low | 50.5 | Low | 140 Ų | 140 | 115.2 Ų | 115.2 | 75% | 0.749 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -20.8 | 133.4 | 148.3 | 5.5 | -76.6 | 0 | 0 | 0 | 113 | | |
| 113 | E | 50.1 | Low | 52 | Low | 174 Ų | 174 | 111.3 Ų | 111.3 | 81% | 0.813 | 64% | 0.637 | S | S | * | * | S | Bend | trans | 83.4 | 112 | 174.8 | -48.4 | -174.4 | 139.9 | 0 | 0 | 114.5 | | |
| 114 | D | 50.8 | Low | 53.9 | Low | 164 Ų | 164 | 107.5 Ų | 107.5 | 88% | 0.877 | 62% | 0.624 | S | S | * | * | | | trans | 77 | 51.1 | 167.4 | -53.1 | -38.2 | 0 | 0 | 0 | 119.2 | | |
| 115 | F | 46.8 | Very low | 55.6 | Low | 111 Ų | 111 | 106.7 Ų | 106.7 | 49% | 0.487 | 62% | 0.624 | S | S | . | * | | | trans | -84.4 | 134.5 | 155.8 | -72.6 | -73.4 | 0 | 0 | 0 | 110.7 | T111 T117 L119 | T111-F115 WeakPolarHBondContact O-CE2 3.1Å; F115-T117 PolarHBondContact O-N 2.98Å; F115-L119 HydrophobicContact CB-CD1 3.56Å; F115-L119 HydrophobicContact CB-CG 4.44Å; F115-L119 HydrophobicContact CD1-CD1 3.46Å; F115-L119 VanDerWaalsContact CD1-CD1 3.46Å; F115-L119 HydrophobicContact CD2-CD1 4.24Å; F115-L119 HydrophobicContact CE1-CD1 4.22Å; F115-L119 HydrophobicContact CG-CD1 3.48Å; F115-L119 VanDerWaalsContact CG-CD1 3.48Å |
| 116 | P | 48.4 | Very low | 57.4 | Low | 99 Ų | 99 | 111.1 Ų | 111.1 | 64% | 0.643 | 64% | 0.643 | S | S | * | * | | | trans | -57.9 | 133.3 | 172.9 | 25.2 | -31.5 | 0 | 0 | 0 | 107.9 | C118 L119 | P116-C118 PolarHBondContact O-N 3.18Å; P116-L119 PolarHBondContact O-N 2.91Å |
| 117 | T | 51.3 | Low | 58.4 | Low | 79 Ų | 79 | 108.7 Ų | 108.7 | 49% | 0.485 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.1 | 9.2 | -169.9 | 41.5 | 0 | 0 | 0 | 0 | 116.3 | F115 P139 | F115-T117 PolarHBondContact O-N 2.98Å; T117-P139 HydrophobicContact CG2-CB 4.06Å |
| 118 | C | 49.3 | Very low | 59.9 | Low | 83 Ų | 83 | 104.7 Ų | 104.7 | 56% | 0.561 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | 12.6 | 174.4 | -65.1 | 0 | 0 | 0 | 0 | 114.5 | P116 | P116-C118 PolarHBondContact O-N 3.18Š|
| 119 | L | 58.3 | Low | 61.6 | Low | 102 Ų | 102 | 108.5 Ų | 108.5 | 53% | 0.534 | 61% | 0.605 | S | S | . | * | S | Bend | trans | -88.3 | -3.5 | 178.2 | -81 | -176.1 | 0 | 0 | 0 | 114.9 | F115 P116 | F115-L119 HydrophobicContact CB-CD1 3.56Å; F115-L119 HydrophobicContact CB-CG 4.44Å; F115-L119 HydrophobicContact CD1-CD1 3.46Å; F115-L119 VanDerWaalsContact CD1-CD1 3.46Å; F115-L119 HydrophobicContact CD2-CD1 4.24Å; F115-L119 HydrophobicContact CE1-CD1 4.22Å; F115-L119 HydrophobicContact CG-CD1 3.48Å; F115-L119 VanDerWaalsContact CG-CD1 3.48Å; P116-L119 PolarHBondContact O-N 2.91Å |
| 120 | L | 62 | Low | 63.1 | Low | 99 Ų | 99 | 103.8 Ų | 103.8 | 52% | 0.518 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -127.4 | -6.3 | -179.8 | -65.2 | 168.2 | 0 | 0 | 0 | 113.6 | C130 D131 | L120-C130 WeakPolarHBondContact O-CA 3.42Å; L120-D131 PolarHBondContact O-N 3.29Å; L120-D131 VanDerWaalsContact O-N 3.08Å |
| 121 | C | 71.3 | Confident | 63.9 | Low | 17 Ų | 17 | 100.5 Ų | 100.5 | 12% | 0.115 | 56% | 0.563 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -134.3 | 138.6 | 179.2 | -49.6 | 0 | 0 | 0 | 0 | 110.9 | V128 Y129 C130 | C121-V128 HydrophobicContact CB-CG1 3.82Å; C121-Y129 CarbonylContact C-O 3.37Å; C121-Y129 WeakPolarHBondContact CA-O 3.32Å; C121-Y129 WeakPolarHBondContact CB-O 3.23Å; C121-C130 HydrophobicContact CB-CB 3.96Å; C121-C130 WeakPolarHBondContact CB-SG 3.34Å; C121-C130 VanDerWaalsContact SG-CA 3.57Å; C121-C130 WeakPolarHBondContact SG-CB 3.46Å; C121-C130 CovalentContact SG-SG 2.03Å; C121-C130 PolarHBondContact SG-SG 3.5Å |
| 122 | T | 76.4 | Confident | 65.1 | Low | 87 Ų | 87 | 103.4 Ų | 103.4 | 53% | 0.534 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.2 | 128.3 | 176 | -58.6 | 0 | 0 | 0 | 0 | 109.7 | I124 Y129 | T122-I124 HydrophobicContact CG2-CD1 4.47Å; T122-I124 HydrophobicContact CG2-CG1 4.03Å; T122-Y129 PolarHBondContact N-O 3.43Å; T122-Y129 PolarHBondContact O-N 3.24Å |
| 123 | C | 79 | Confident | 65.8 | Low | 82 Ų | 82 | 103.4 Ų | 103.4 | 55% | 0.554 | 57% | 0.571 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.4 | 122.8 | 173.2 | -57.9 | 0 | 0 | 0 | 0 | 110.2 | T127 | C123-T127 CarbonylContact C-O 3.59Å; C123-T127 WeakPolarHBondContact CA-O 3.42Å |
| 124 | I | 80.9 | Confident | 66.4 | Low | 109 Ų | 109 | 103.4 Ų | 103.4 | 56% | 0.559 | 57% | 0.571 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -121.7 | 111.8 | 175.7 | -55.8 | 178.3 | 0 | 0 | 0 | 108.1 | T122 T126 T127 | T122-I124 HydrophobicContact CG2-CD1 4.47Å; T122-I124 HydrophobicContact CG2-CG1 4.03Å; I124-T126 PolarHBondContact O-N 3.19Å; I124-T127 PolarHBondContact N-O 3.33Å; I124-T127 PolarHBondContact O-N 3.47Å; I124-T127 PolarHBondContact O-OG1 2.98Å |
| 125 | S | 80.9 | Confident | 67 | Low | 120 Ų | 120 | 98.8 Ų | 98.8 | 84% | 0.839 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | -111 | -175.7 | -171.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 126 | T | 77.1 | Confident | 67.9 | Low | 134 Ų | 134 | 101.9 Ų | 101.9 | 82% | 0.822 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | 6.6 | -179.6 | 56.2 | 0 | 0 | 0 | 0 | 113.7 | I124 | I124-T126 PolarHBondContact O-N 3.19Š|
| 127 | T | 70 | Confident | 68.7 | Low | 89 Ų | 89 | 100.8 Ų | 100.8 | 55% | 0.546 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.3 | 149.8 | -177.2 | 64.9 | 0 | 0 | 0 | 0 | 111.7 | C123 I124 | C123-T127 CarbonylContact C-O 3.59Å; C123-T127 WeakPolarHBondContact CA-O 3.42Å; I124-T127 PolarHBondContact N-O 3.33Å; I124-T127 PolarHBondContact O-N 3.47Å; I124-T127 PolarHBondContact O-OG1 2.98Å |
| 128 | V | 80.1 | Confident | 69.3 | Low | 63 Ų | 63 | 103.6 Ų | 103.6 | 38% | 0.382 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.9 | 122.7 | 178.1 | -177.1 | 0 | 0 | 0 | 0 | 107.8 | C121 L141 | C121-V128 HydrophobicContact CB-CG1 3.82Å; V128-L141 HydrophobicContact CG2-CD1 4.12Å; V128-L141 HydrophobicContact CG2-CD2 4.36Å |
| 129 | Y | 74.9 | Confident | 70.1 | Confident | 143 Ų | 143 | 101.4 Ų | 101.4 | 56% | 0.561 | 56% | 0.562 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107.4 | 118.2 | 176.3 | -175.8 | -90.4 | 0 | 0 | 0 | 109.1 | C121 T122 | C121-Y129 CarbonylContact C-O 3.37Å; C121-Y129 WeakPolarHBondContact CA-O 3.32Å; C121-Y129 WeakPolarHBondContact CB-O 3.23Å; T122-Y129 PolarHBondContact N-O 3.43Å; T122-Y129 PolarHBondContact O-N 3.24Å |
| 130 | C | 76.4 | Confident | 70.5 | Confident | 25 Ų | 25 | 102 Ų | 102 | 17% | 0.169 | 57% | 0.572 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.3 | 137.3 | 174.9 | -62.8 | 0 | 0 | 0 | 0 | 109 | L120 C121 D132 | L120-C130 WeakPolarHBondContact O-CA 3.42Å; C121-C130 HydrophobicContact CB-CB 3.96Å; C121-C130 WeakPolarHBondContact CB-SG 3.34Å; C121-C130 VanDerWaalsContact SG-CA 3.57Å; C121-C130 WeakPolarHBondContact SG-CB 3.46Å; C121-C130 CovalentContact SG-SG 2.03Å; C121-C130 PolarHBondContact SG-SG 3.5Å; C130-D132 PolarHBondContact O-N 2.8Å |
| 131 | D | 72.2 | Confident | 70.3 | Confident | 101 Ų | 101 | 102.9 Ų | 102.9 | 54% | 0.54 | 58% | 0.577 | S | S | . | * | | | trans | -70.2 | 127.1 | 166.4 | -93.9 | -28.6 | 0 | 0 | 0 | 108.2 | L120 H133 L135 | L120-D131 PolarHBondContact O-N 3.29Å; L120-D131 VanDerWaalsContact O-N 3.08Å; D131-H133 PolarHBondContact O-N 3.25Å; D131-L135 VanDerWaalsContact O-CD1 3.28Å; D131-L135 WeakPolarHBondContact O-CD1 3.27Å |
| 132 | D | 63.3 | Low | 70 | Confident | 151 Ų | 151 | 106.9 Ų | 106.9 | 81% | 0.807 | 60% | 0.603 | S | S | * | * | | | trans | -70.8 | 35.6 | -176 | -62.2 | -41.5 | 0 | 0 | 0 | 113.1 | C130 E134 | C130-D132 PolarHBondContact O-N 2.8Å; D132-E134 VanDerWaalsContact C-N 3.26Å; D132-E134 PolarHBondContact O-N 3.21Å |
| 133 | H | 61.2 | Low | 69.4 | Low | 140 Ų | 140 | 116 Ų | 116 | 65% | 0.648 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -74.4 | 82.7 | 176.1 | -168 | -74.8 | 0 | 0 | 0 | 109.4 | D131 L135 | D131-H133 PolarHBondContact O-N 3.25Å; H133-L135 PolarHBondContact O-N 3.49Å |
| 134 | E | 64.5 | Low | 68.9 | Low | 173 Ų | 173 | 117.8 Ų | 117.8 | 81% | 0.808 | 64% | 0.639 | S | S | * | * | S | Bend | trans | 50 | 39 | 169.1 | -60 | 179.8 | -179.6 | 0 | 0 | 114.3 | D132 D136 | D132-E134 VanDerWaalsContact C-N 3.26Å; D132-E134 PolarHBondContact O-N 3.21Å; E134-D136 PolarHBondContact O-N 3.02Å |
| 135 | L | 63.2 | Low | 68.3 | Low | 67 Ų | 67 | 118.2 Ų | 118.2 | 35% | 0.351 | 64% | 0.643 | S | S | . | * | | | trans | -85.2 | 109.3 | 172.1 | -75.8 | 116.4 | 0 | 0 | 0 | 110.1 | D131 H133 A137 | D131-L135 VanDerWaalsContact O-CD1 3.28Å; D131-L135 WeakPolarHBondContact O-CD1 3.27Å; H133-L135 PolarHBondContact O-N 3.49Å; L135-A137 PolarHBondContact O-N 2.95Å |
| 136 | D | 64.6 | Low | 67.6 | Low | 177 Ų | 177 | 118.1 Ų | 118.1 | 95% | 0.947 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -65.9 | -22.6 | 171.8 | -74.9 | -33.7 | 0 | 0 | 0 | 112.7 | E134 | E134-D136 PolarHBondContact O-N 3.02Š|
| 137 | A | 64.8 | Low | 67 | Low | 75 Ų | 75 | 117.2 Ų | 117.2 | 62% | 0.62 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -155.7 | 147.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L135 | L135-A137 PolarHBondContact O-N 2.95Š|
| 138 | I | 65.6 | Low | 66.8 | Low | 138 Ų | 138 | 118.9 Ų | 118.9 | 71% | 0.708 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -74 | 125 | 175 | -56.6 | 174.1 | 0 | 0 | 0 | 109 | | |
| 139 | P | 65.6 | Low | 66 | Low | 37 Ų | 37 | 122.7 Ų | 122.7 | 24% | 0.24 | 64% | 0.642 | C | S | . | * | P | Polyproline II helix | trans | -65.7 | 148.5 | 178.7 | 25 | -31.9 | 0 | 0 | 0 | 111.7 | T117 L141 | T117-P139 HydrophobicContact CG2-CB 4.06Å; P139-L141 PolarHBondContact O-N 3.17Å |
| 140 | P | 66 | Low | 65.3 | Low | 115 Ų | 115 | 121.2 Ų | 121.2 | 75% | 0.747 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 132.7 | -178.1 | 26.2 | -33.7 | 0 | 0 | 0 | 111.1 | | |
| 141 | L | 57.3 | Low | 64.5 | Low | 117 Ų | 117 | 128.6 Ų | 128.6 | 61% | 0.613 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 141 | 177.1 | -64.1 | 174 | 0 | 0 | 0 | 110.8 | V128 P139 | V128-L141 HydrophobicContact CG2-CD1 4.12Å; V128-L141 HydrophobicContact CG2-CD2 4.36Å; P139-L141 PolarHBondContact O-N 3.17Å |
| 142 | P | 65.9 | Low | 63.8 | Low | 102 Ų | 102 | 130.9 Ų | 130.9 | 66% | 0.662 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 147.4 | 171.6 | 25.1 | -31.1 | 0 | 0 | 0 | 111 | | |
| 143 | K | 64.1 | Low | 63.9 | Low | 279 Ų | 279 | 129.1 Ų | 129.1 | 100% | 1.213 | 69% | 0.687 | S | S | * | * | | | trans | -78.4 | 0 | 178.1 | -68.3 | -178.5 | -179.2 | 170.8 | 0 | 112.4 | | |