| 1 | M | 69.7 | Low | 75 | Confident | 247 Ų | 247 | 116.4 Ų | 116.4 | 100% | 1.217 | 58% | 0.583 | S | S | * | * | | | | 0 | 113.6 | 0 | -74.7 | 150.5 | 176.1 | 0 | 0 | 107.1 | | |
| 2 | G | 75.3 | Confident | 74.2 | Confident | 67 Ų | 67 | 120.1 Ų | 120.1 | 69% | 0.691 | 59% | 0.593 | S | S | * | * | | | trans | -69.1 | 144.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 3 | N | 82.8 | Confident | 73.6 | Confident | 101 Ų | 101 | 117.5 Ų | 117.5 | 54% | 0.54 | 59% | 0.594 | S | S | . | * | | | trans | -63 | 134.1 | 175.1 | -176.8 | 3.9 | 0 | 0 | 0 | 110.2 | L5 S6 K7 | N3-L5 PolarHBondContact O-N 3.07Å; N3-L5 PolarHBondContact OD1-N 3.35Å; N3-S6 PolarHBondContact O-N 3.26Å; N3-K7 PolarHBondContact O-N 3.04Å |
| 4 | W | 82.8 | Confident | 72.5 | Confident | 178 Ų | 178 | 119.3 Ų | 119.3 | 67% | 0.674 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -56.9 | -38 | 177.4 | 176.5 | 85 | 0 | 0 | 0 | 111.7 | S6 K7 Q8 | W4-S6 PolarHBondContact O-N 2.95Å; W4-K7 PolarHBondContact O-N 3.25Å; W4-Q8 HydrophobicContact CD2-CG 4.06Å; W4-Q8 HydrophobicContact CE3-CG 4.25Å; W4-Q8 HydrophobicContact CH2-CG 4.02Å; W4-Q8 HydrophobicContact CZ2-CG 3.81Å; W4-Q8 HydrophobicContact CZ3-CG 4.23Å; W4-Q8 WeakPolarHBondContact O-CG 3.22Å; W4-Q8 PolarHBondContact O-N 3.21Å |
| 5 | L | 77.2 | Confident | 71.2 | Confident | 100 Ų | 100 | 114.8 Ų | 114.8 | 52% | 0.524 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65.2 | -38.6 | -177.4 | -162.3 | 68.4 | 0 | 0 | 0 | 112.6 | N3 Q8 Y9 | N3-L5 PolarHBondContact O-N 3.07Å; N3-L5 PolarHBondContact OD1-N 3.35Å; L5-Q8 PolarHBondContact O-N 3.34Å; L5-Y9 PolarHBondContact O-N 2.68Å; L5-Y9 VanDerWaalsContact O-N 3.14Å |
| 6 | S | 81.1 | Confident | 69.8 | Low | 67 Ų | 67 | 110.1 Ų | 110.1 | 47% | 0.469 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.7 | -40.9 | 177.7 | -57.4 | 0 | 0 | 0 | 0 | 111.7 | N3 W4 Q8 Y9 E10 | N3-S6 PolarHBondContact O-N 3.26Å; W4-S6 PolarHBondContact O-N 2.95Å; S6-Q8 VanDerWaalsContact C-N 3.29Å; S6-Q8 PolarHBondContact O-N 2.71Å; S6-Y9 PolarHBondContact O-N 3.19Å; S6-E10 PolarHBondContact O-N 2.89Å; S6-E10 VanDerWaalsContact O-N 3.13Å |
| 7 | K | 74.9 | Confident | 69.2 | Low | 126 Ų | 126 | 114.8 Ų | 114.8 | 55% | 0.548 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.8 | -38.1 | 175.4 | -70.6 | -170.7 | 171.4 | -165.5 | 0 | 112.2 | N3 W4 N11 | N3-K7 PolarHBondContact O-N 3.04Å; W4-K7 PolarHBondContact O-N 3.25Å; K7-N11 PolarHBondContact O-N 2.78Å; K7-N11 VanDerWaalsContact O-N 3.11Å; K7-N11 PolarHBondContact O-ND2 3.24Å; K7-N11 PolarHBondContact O-OD1 2.88Å |
| 8 | Q | 75 | Confident | 68.4 | Low | 52 Ų | 52 | 118.3 Ų | 118.3 | 24% | 0.243 | 60% | 0.596 | C | S | . | * | H | α-helix | trans | -66.2 | -40.2 | 177 | -59.5 | -47.1 | -44.1 | 0 | 0 | 111.5 | W4 L5 S6 E10 N11 F12 | W4-Q8 HydrophobicContact CD2-CG 4.06Å; W4-Q8 HydrophobicContact CE3-CG 4.25Å; W4-Q8 HydrophobicContact CH2-CG 4.02Å; W4-Q8 HydrophobicContact CZ2-CG 3.81Å; W4-Q8 HydrophobicContact CZ3-CG 4.23Å; W4-Q8 WeakPolarHBondContact O-CG 3.22Å; W4-Q8 PolarHBondContact O-N 3.21Å; L5-Q8 PolarHBondContact O-N 3.34Å; S6-Q8 VanDerWaalsContact C-N 3.29Å; S6-Q8 PolarHBondContact O-N 2.71Å; Q8-E10 PolarHBondContact O-N 3.31Å; Q8-N11 WeakPolarHBondContact O-CB 3.47Å; Q8-N11 PolarHBondContact O-N 3.26Å; Q8-F12 HydrophobicContact CB-CD2 4.42Å; Q8-F12 HydrophobicContact CB-CE2 3.98Å; Q8-F12 WeakPolarHBondContact O-CD2 3.25Å; Q8-F12 PolarHBondContact O-N 3.2Å |
| 9 | Y | 71.4 | Confident | 67.6 | Low | 169 Ų | 169 | 117.6 Ų | 117.6 | 66% | 0.663 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -61.2 | -42.6 | 177.3 | -119.1 | -88.6 | 0 | 0 | 0 | 112.7 | L5 S6 F12 S13 | L5-Y9 PolarHBondContact O-N 2.68Å; L5-Y9 VanDerWaalsContact O-N 3.14Å; S6-Y9 PolarHBondContact O-N 3.19Å; Y9-F12 PolarHBondContact O-N 2.89Å; Y9-S13 VanDerWaalsContact O-CB 3.27Å; Y9-S13 WeakPolarHBondContact O-CB 3.46Å; Y9-S13 PolarHBondContact O-N 3.17Å; Y9-S13 PolarHBondContact O-OG 3.04Å |
| 10 | E | 69 | Low | 67.1 | Low | 119 Ų | 119 | 117.4 Ų | 117.4 | 56% | 0.556 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -61.1 | -44.1 | 173.2 | -74.1 | 174.4 | 172.2 | 0 | 0 | 111.3 | S6 Q8 F12 S13 H14 | S6-E10 PolarHBondContact O-N 2.89Å; S6-E10 VanDerWaalsContact O-N 3.13Å; Q8-E10 PolarHBondContact O-N 3.31Å; E10-F12 PolarHBondContact O-N 2.97Å; E10-S13 PolarHBondContact O-N 3.01Å; E10-H14 WeakPolarHBondContact O-CB 3.29Å; E10-H14 PolarHBondContact O-CD2 2.96Å; E10-H14 VanDerWaalsContact O-CD2 3.26Å; E10-H14 PolarHBondContact O-N 2.95Å |
| 11 | N | 65.5 | Low | 66.7 | Low | 54 Ų | 54 | 121.1 Ų | 121.1 | 29% | 0.289 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -61.2 | -42.5 | 179.7 | -65.1 | -20 | 0 | 0 | 0 | 112.7 | K7 Q8 G15 | K7-N11 PolarHBondContact O-N 2.78Å; K7-N11 VanDerWaalsContact O-N 3.11Å; K7-N11 PolarHBondContact O-ND2 3.24Å; K7-N11 PolarHBondContact O-OD1 2.88Å; Q8-N11 WeakPolarHBondContact O-CB 3.47Å; Q8-N11 PolarHBondContact O-N 3.26Å; N11-G15 PolarHBondContact O-N 2.89Å |
| 12 | F | 65.7 | Low | 66.1 | Low | 161 Ų | 161 | 115.3 Ų | 115.3 | 71% | 0.706 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -72.6 | -35.6 | 177.5 | -64.3 | -57.7 | 0 | 0 | 0 | 112.6 | Q8 Y9 E10 | Q8-F12 HydrophobicContact CB-CD2 4.42Å; Q8-F12 HydrophobicContact CB-CE2 3.98Å; Q8-F12 WeakPolarHBondContact O-CD2 3.25Å; Q8-F12 PolarHBondContact O-N 3.2Å; Y9-F12 PolarHBondContact O-N 2.89Å; E10-F12 PolarHBondContact O-N 2.97Å |
| 13 | S | 66.5 | Low | 65.6 | Low | 87 Ų | 87 | 114.9 Ų | 114.9 | 61% | 0.608 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -74.7 | -32.2 | -177.7 | -55.2 | 0 | 0 | 0 | 0 | 112.5 | Y9 E10 | Y9-S13 VanDerWaalsContact O-CB 3.27Å; Y9-S13 WeakPolarHBondContact O-CB 3.46Å; Y9-S13 PolarHBondContact O-N 3.17Å; Y9-S13 PolarHBondContact O-OG 3.04Å; E10-S13 PolarHBondContact O-N 3.01Å |
| 14 | H | 58.2 | Low | 64.6 | Low | 142 Ų | 142 | 115.1 Ų | 115.1 | 66% | 0.657 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | 2 | -177.8 | -73.3 | -71.5 | 0 | 0 | 0 | 114.3 | E10 S16 | E10-H14 WeakPolarHBondContact O-CB 3.29Å; E10-H14 PolarHBondContact O-CD2 2.96Å; E10-H14 VanDerWaalsContact O-CD2 3.26Å; E10-H14 PolarHBondContact O-N 2.95Å; H14-S16 PolarHBondContact O-N 3.06Å |
| 15 | G | 53.3 | Low | 63.8 | Low | 52 Ų | 52 | 111.6 Ų | 111.6 | 54% | 0.536 | 62% | 0.62 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 54.2 | 18.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | N11 F17 | N11-G15 PolarHBondContact O-N 2.89Å; G15-F17 PolarHBondContact O-N 3.34Å |
| 16 | S | 49.2 | Very low | 63.6 | Low | 40 Ų | 40 | 111.9 Ų | 111.9 | 28% | 0.28 | 63% | 0.627 | S | S | . | * | | | trans | -94.5 | 91.5 | -168.1 | -163.3 | 0 | 0 | 0 | 0 | 109 | H14 Y18 | H14-S16 PolarHBondContact O-N 3.06Å; S16-Y18 PolarHBondContact O-N 3.05Å; S16-Y18 WeakPolarHBondContact OG-CE1 3.42Å; S16-Y18 VanDerWaalsContact OG-CZ 3.26Å |
| 17 | F | 58.6 | Low | 63.2 | Low | 189 Ų | 189 | 118.6 Ų | 118.6 | 83% | 0.829 | 65% | 0.648 | S | S | * | * | | | trans | -78.5 | 95.2 | 165.6 | -60 | -81.4 | 0 | 0 | 0 | 108 | G15 C19 | G15-F17 PolarHBondContact O-N 3.34Å; F17-C19 PolarHBondContact O-N 3.09Å |
| 18 | Y | 55.6 | Low | 63 | Low | 179 Ų | 179 | 123.7 Ų | 123.7 | 70% | 0.702 | 66% | 0.664 | S | S | * | * | | | trans | -70.2 | 79.4 | 167.4 | -48 | -79.9 | 0 | 0 | 0 | 109 | S16 S20 | S16-Y18 PolarHBondContact O-N 3.05Å; S16-Y18 WeakPolarHBondContact OG-CE1 3.42Å; S16-Y18 VanDerWaalsContact OG-CZ 3.26Å; Y18-S20 PolarHBondContact O-N 3.44Å |
| 19 | C | 52.3 | Low | 62.8 | Low | 104 Ų | 104 | 132.2 Ų | 132.2 | 70% | 0.703 | 69% | 0.694 | S | S | * | * | | | trans | -79 | 107.2 | 162.1 | -93.8 | 0 | 0 | 0 | 0 | 107.4 | F17 E21 | F17-C19 PolarHBondContact O-N 3.09Å; C19-E21 PolarHBondContact O-N 3.37Å; C19-E21 VanDerWaalsContact O-N 3.09Å |
| 20 | S | 58.9 | Low | 62.8 | Low | 113 Ų | 113 | 132 Ų | 132 | 79% | 0.79 | 70% | 0.703 | S | S | * | * | | | trans | -58.4 | 114.9 | 170.6 | 57.1 | 0 | 0 | 0 | 0 | 109.5 | Y18 S22 | Y18-S20 PolarHBondContact O-N 3.44Å; S20-S22 PolarHBondContact O-N 3.22Å; S20-S22 VanDerWaalsContact O-N 3.09Å |
| 21 | E | 57.6 | Low | 63 | Low | 196 Ų | 196 | 132.1 Ų | 132.1 | 92% | 0.916 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 94.3 | -179 | -170.6 | 168.5 | -176.6 | 0 | 0 | 110.2 | C19 | C19-E21 PolarHBondContact O-N 3.37Å; C19-E21 VanDerWaalsContact O-N 3.09Å |
| 22 | S | 58.2 | Low | 63.3 | Low | 125 Ų | 125 | 139.3 Ų | 139.3 | 87% | 0.874 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 178.1 | 6.2 | 155.1 | 57.3 | 0 | 0 | 0 | 0 | 116 | S20 | S20-S22 PolarHBondContact O-N 3.22Å; S20-S22 VanDerWaalsContact O-N 3.09Å |
| 23 | G | 63.6 | Low | 63.5 | Low | 58 Ų | 58 | 135.4 Ų | 135.4 | 60% | 0.598 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -113.3 | 122.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110 | T25 | G23-T25 PolarHBondContact O-N 3.3Š|
| 24 | A | 61.3 | Low | 63.8 | Low | 106 Ų | 106 | 133.6 Ų | 133.6 | 88% | 0.876 | 72% | 0.72 | S | S | * | * | | | trans | -54.4 | 106.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | P26 | A24-P26 WeakPolarHBondContact O-CD 3.44Š|
| 25 | T | 66.2 | Low | 64.3 | Low | 105 Ų | 105 | 132.9 Ų | 132.9 | 64% | 0.644 | 73% | 0.728 | S | S | * | * | | | trans | -61.1 | 120.9 | -179.8 | -46.4 | 0 | 0 | 0 | 0 | 108.8 | G23 K27 | G23-T25 PolarHBondContact O-N 3.3Å; T25-K27 PolarHBondContact O-N 2.95Å; T25-K27 VanDerWaalsContact O-N 3.15Å |
| 26 | P | 73.2 | Confident | 65.1 | Low | 106 Ų | 106 | 140.4 Ų | 140.4 | 69% | 0.688 | 74% | 0.74 | S | S | * | * | | | trans | -57 | 127.4 | 174.6 | 22.2 | -30.8 | 0 | 0 | 0 | 108 | A24 R28 | A24-P26 WeakPolarHBondContact O-CD 3.44Å; P26-R28 PolarHBondContact O-N 3.25Å |
| 27 | K | 72.2 | Confident | 65.9 | Low | 208 Ų | 208 | 141.3 Ų | 141.3 | 90% | 0.904 | 75% | 0.747 | S | S | * | * | | | trans | -54.3 | 106.1 | 177 | -70 | -178.6 | 179.2 | 178.1 | 0 | 107.7 | T25 R29 | T25-K27 PolarHBondContact O-N 2.95Å; T25-K27 VanDerWaalsContact O-N 3.15Å; K27-R29 PolarHBondContact O-N 3.38Å |
| 28 | R | 71.2 | Confident | 66.4 | Low | 233 Ų | 233 | 137.4 Ų | 137.4 | 88% | 0.879 | 74% | 0.74 | S | S | * | * | | | trans | -64.2 | 113.5 | 173.8 | -66.3 | -172.5 | 89.2 | 115 | -1.5 | 106.4 | P26 L30 | P26-R28 PolarHBondContact O-N 3.25Å; R28-L30 PolarHBondContact O-N 3.02Å; R28-L30 VanDerWaalsContact O-N 3.13Å |
| 29 | R | 71.7 | Confident | 67 | Low | 231 Ų | 231 | 132.5 Ų | 132.5 | 87% | 0.872 | 73% | 0.732 | S | S | * | * | | | trans | -71.2 | 102.7 | 162.5 | -77 | -178.6 | 156.1 | 164.2 | -5.7 | 106 | K27 L31 | K27-R29 PolarHBondContact O-N 3.38Å; R29-L31 PolarHBondContact O-N 2.75Å; R29-L31 VanDerWaalsContact O-N 3.13Å |
| 30 | L | 71.1 | Confident | 67.8 | Low | 165 Ų | 165 | 132.1 Ų | 132.1 | 86% | 0.864 | 74% | 0.736 | S | S | * | * | | | trans | -70.1 | 105.8 | 169 | -155.3 | 126.6 | 0 | 0 | 0 | 105.8 | R28 | R28-L30 PolarHBondContact O-N 3.02Å; R28-L30 VanDerWaalsContact O-N 3.13Å |
| 31 | L | 72.8 | Confident | 68.2 | Low | 120 Ų | 120 | 133.9 Ų | 133.9 | 63% | 0.628 | 74% | 0.737 | S | S | * | * | | | trans | -67.3 | 135.7 | 171.7 | -60.7 | 176.2 | 0 | 0 | 0 | 107.1 | R29 A33 | R29-L31 PolarHBondContact O-N 2.75Å; R29-L31 VanDerWaalsContact O-N 3.13Å; L31-A33 PolarHBondContact O-N 2.95Å |
| 32 | E | 72.8 | Confident | 68.7 | Low | 206 Ų | 206 | 128.4 Ų | 128.4 | 96% | 0.963 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -59.2 | -28.9 | 180 | -67.9 | 178.3 | 172.8 | 0 | 0 | 112.1 | | |
| 33 | A | 69.4 | Low | 69.5 | Low | 79 Ų | 79 | 131.8 Ų | 131.8 | 65% | 0.653 | 72% | 0.715 | S | S | * | * | | | trans | -141.1 | 121.3 | 171 | 0 | 0 | 0 | 0 | 0 | 110.3 | L31 | L31-A33 PolarHBondContact O-N 2.95Š|
| 34 | D | 72.4 | Confident | 70.1 | Confident | 49 Ų | 49 | 137.6 Ų | 137.6 | 26% | 0.262 | 72% | 0.719 | S | S | . | * | | | trans | -92.2 | 115.3 | 163.5 | -177.4 | -18.8 | 0 | 0 | 0 | 107.5 | R36 S37 | D34-R36 PolarHBondContact O-N 2.85Å; D34-R36 VanDerWaalsContact OD1-CB 3.29Å; D34-R36 WeakPolarHBondContact OD1-CB 3.46Å; D34-R36 IonicContact OD1-CZ 3.94Å; D34-R36 PolarHBondContact OD1-N 3.14Å; D34-R36 IonicContact OD1-NE 3.14Å; D34-R36 PolarHBondContact OD1-NE 3.02Å; D34-R36 VanDerWaalsContact OD1-NE 3.14Å; D34-R36 IonicContact OD1-NH2 3.79Å; D34-R36 IonicContact OD2-CZ 3.73Å; D34-R36 IonicContact OD2-NE 3.63Å; D34-R36 IonicContact OD2-NH2 2.95Å; D34-R36 PolarHBondContact OD2-NH2 3.27Å; D34-S37 WeakPolarHBondContact CB-OG 2.96Å; D34-S37 WeakPolarHBondContact O-CB 3.47Å; D34-S37 PolarHBondContact O-N 3.18Å |
| 35 | P | 68.7 | Low | 71.1 | Confident | 127 Ų | 127 | 138.8 Ų | 138.8 | 83% | 0.825 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -8.1 | -179 | 28.1 | -35.9 | 0 | 0 | 0 | 113.8 | | |
| 36 | R | 70 | Confident | 71.8 | Confident | 209 Ų | 209 | 139.5 Ų | 139.5 | 79% | 0.789 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | -11.9 | 176.4 | -54.4 | 169.6 | -61.7 | 165.8 | 9 | 112.8 | D34 | D34-R36 PolarHBondContact O-N 2.85Å; D34-R36 VanDerWaalsContact OD1-CB 3.29Å; D34-R36 WeakPolarHBondContact OD1-CB 3.46Å; D34-R36 IonicContact OD1-CZ 3.94Å; D34-R36 PolarHBondContact OD1-N 3.14Å; D34-R36 IonicContact OD1-NE 3.14Å; D34-R36 PolarHBondContact OD1-NE 3.02Å; D34-R36 VanDerWaalsContact OD1-NE 3.14Å; D34-R36 IonicContact OD1-NH2 3.79Å; D34-R36 IonicContact OD2-CZ 3.73Å; D34-R36 IonicContact OD2-NE 3.63Å; D34-R36 IonicContact OD2-NH2 2.95Å; D34-R36 PolarHBondContact OD2-NH2 3.27Å |
| 37 | S | 66.3 | Low | 72.1 | Confident | 60 Ų | 60 | 141.7 Ų | 141.7 | 42% | 0.42 | 73% | 0.726 | S | S | . | * | S | Bend | trans | -74.9 | 139.3 | 169.9 | -62.8 | 0 | 0 | 0 | 0 | 108.2 | D34 S39 | D34-S37 WeakPolarHBondContact CB-OG 2.96Å; D34-S37 WeakPolarHBondContact O-CB 3.47Å; D34-S37 PolarHBondContact O-N 3.18Å; S37-S39 PolarHBondContact O-N 3.13Å |
| 38 | P | 68.4 | Low | 72.6 | Confident | 106 Ų | 106 | 140.2 Ų | 140.2 | 69% | 0.688 | 73% | 0.725 | S | S | * | * | | | trans | -55.9 | 115.5 | 165.5 | 23.1 | -29.2 | 0 | 0 | 0 | 106.9 | A40 | P38-A40 PolarHBondContact O-N 3.05Š|
| 39 | S | 69.2 | Low | 72.9 | Confident | 77 Ų | 77 | 135 Ų | 135 | 54% | 0.538 | 72% | 0.718 | S | S | . | * | | | trans | -54 | 134.2 | -177.6 | -40.9 | 0 | 0 | 0 | 0 | 107.9 | S37 N41 I42 | S37-S39 PolarHBondContact O-N 3.13Å; S39-N41 PolarHBondContact O-N 3.13Å; S39-I42 PolarHBondContact O-N 3.22Å |
| 40 | A | 68.3 | Low | 73.4 | Confident | 96 Ų | 96 | 126.5 Ų | 126.5 | 79% | 0.793 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | 1.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | P38 | P38-A40 PolarHBondContact O-N 3.05Š|
| 41 | N | 67.1 | Low | 74 | Confident | 149 Ų | 149 | 127.9 Ų | 127.9 | 80% | 0.797 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.8 | 28.6 | -169.8 | -59.4 | 94.1 | 0 | 0 | 0 | 113.8 | S39 E43 | S39-N41 PolarHBondContact O-N 3.13Å; N41-E43 PolarHBondContact O-N 3.3Å |
| 42 | I | 68 | Low | 73.9 | Confident | 82 Ų | 82 | 128 Ų | 128 | 42% | 0.421 | 71% | 0.711 | S | S | . | * | | | trans | -80.9 | 107 | 171.8 | -49 | 177.7 | 0 | 0 | 0 | 109 | S39 R44 | S39-I42 PolarHBondContact O-N 3.22Å; I42-R44 HydrophobicContact CG2-CG 3.76Å; I42-R44 PolarHBondContact O-N 3.47Å |
| 43 | E | 75 | Confident | 73.9 | Confident | 195 Ų | 195 | 123.5 Ų | 123.5 | 91% | 0.911 | 70% | 0.699 | S | S | * | * | | | trans | -72.6 | 104 | 162.3 | -69.4 | -173.3 | 179.5 | 0 | 0 | 108.5 | N41 | N41-E43 PolarHBondContact O-N 3.3Š|
| 44 | R | 77.3 | Confident | 74.2 | Confident | 181 Ų | 181 | 124.7 Ų | 124.7 | 68% | 0.683 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 145 | 170.5 | -67.3 | -170.3 | 172.9 | 108.3 | -1.6 | 109.3 | I42 P46 | I42-R44 HydrophobicContact CG2-CG 3.76Å; I42-R44 PolarHBondContact O-N 3.47Å; R44-P46 WeakPolarHBondContact O-CD 3.27Å |
| 45 | T | 81.8 | Confident | 73.9 | Confident | 130 Ų | 130 | 130.4 Ų | 130.4 | 80% | 0.798 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 125.6 | 165.2 | -47.7 | 0 | 0 | 0 | 0 | 108.8 | I47 | T45-I47 PolarHBondContact O-N 3.44Š|
| 46 | P | 82 | Confident | 73.7 | Confident | 121 Ų | 121 | 131.1 Ų | 131.1 | 79% | 0.786 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 134.6 | 176 | -24.9 | 33.8 | 0 | 0 | 0 | 110.6 | R44 M48 | R44-P46 WeakPolarHBondContact O-CD 3.27Å; P46-M48 PolarHBondContact O-N 3.29Å |
| 47 | I | 79.5 | Confident | 73.1 | Confident | 151 Ų | 151 | 131.5 Ų | 131.5 | 77% | 0.774 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -80 | 119.7 | 170.2 | -57.3 | 172.7 | 0 | 0 | 0 | 106.4 | T45 V49 | T45-I47 PolarHBondContact O-N 3.44Å; I47-V49 PolarHBondContact O-N 3.3Å; I47-V49 VanDerWaalsContact O-N 3.09Å |
| 48 | M | 81.3 | Confident | 72.8 | Confident | 178 Ų | 178 | 133.6 Ų | 133.6 | 88% | 0.877 | 73% | 0.728 | S | S | * | * | | | trans | -67.7 | 106.9 | 169.8 | -177.1 | 170.7 | 51.6 | 0 | 0 | 108.1 | P46 G50 | P46-M48 PolarHBondContact O-N 3.29Å; M48-G50 PolarHBondContact O-N 3.21Å |
| 49 | V | 78.1 | Confident | 72.2 | Confident | 123 Ų | 123 | 136.5 Ų | 136.5 | 75% | 0.745 | 73% | 0.732 | S | S | * | * | | | trans | -82.4 | 103.7 | 172.4 | -174.7 | 0 | 0 | 0 | 0 | 106.4 | I47 | I47-V49 PolarHBondContact O-N 3.3Å; I47-V49 VanDerWaalsContact O-N 3.09Å |
| 50 | G | 81.8 | Confident | 71.7 | Confident | 53 Ų | 53 | 141.6 Ų | 141.6 | 55% | 0.546 | 75% | 0.745 | S | S | . | * | P | Polyproline II helix | trans | -61.6 | 165.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | M48 T52 | M48-G50 PolarHBondContact O-N 3.21Å; G50-T52 PolarHBondContact O-N 3.23Å |
| 51 | E | 83 | Confident | 71.3 | Confident | 194 Ų | 194 | 144.7 Ų | 144.7 | 91% | 0.907 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 121.2 | 172.4 | -65.6 | -178.3 | 175.3 | 0 | 0 | 109 | P53 | E51-P53 WeakPolarHBondContact O-CD 3.46Å; E51-P53 VanDerWaalsContact O-N 3.11Å |
| 52 | T | 72.6 | Confident | 70.8 | Confident | 122 Ų | 122 | 148.3 Ų | 148.3 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 121.3 | 173.2 | 14.1 | 0 | 0 | 0 | 0 | 107.3 | G50 N54 | G50-T52 PolarHBondContact O-N 3.23Å; T52-N54 PolarHBondContact O-N 3.17Å |
| 53 | P | 72.5 | Confident | 70.5 | Confident | 111 Ų | 111 | 151.5 Ų | 151.5 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 123.4 | 179.2 | 22.4 | -31.5 | 0 | 0 | 0 | 107.5 | E51 H55 | E51-P53 WeakPolarHBondContact O-CD 3.46Å; E51-P53 VanDerWaalsContact O-N 3.11Å; P53-H55 PolarHBondContact O-N 3.03Å |
| 54 | N | 74.5 | Confident | 69.5 | Low | 104 Ų | 104 | 147.8 Ų | 147.8 | 56% | 0.556 | 76% | 0.755 | S | S | * | * | | | trans | -57.5 | 115.5 | 175.4 | -176.6 | -16.5 | 0 | 0 | 0 | 107.2 | T52 D56 R57 | T52-N54 PolarHBondContact O-N 3.17Å; N54-D56 PolarHBondContact O-N 3.47Å; N54-D56 VanDerWaalsContact OD1-CB 3.22Å; N54-D56 WeakPolarHBondContact OD1-CB 3.4Å; N54-D56 VanDerWaalsContact OD1-CG 3.24Å; N54-D56 PolarHBondContact OD1-N 3.13Å; N54-D56 PolarHBondContact OD1-OD2 3.21Å; N54-R57 PolarHBondContact O-N 3.14Å |
| 55 | H | 65.6 | Low | 68.7 | Low | 170 Ų | 170 | 146.7 Ų | 146.7 | 79% | 0.787 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -7.5 | -177.4 | -123.9 | -72.4 | 0 | 0 | 0 | 112.8 | P53 R57 | P53-H55 PolarHBondContact O-N 3.03Å; H55-R57 VanDerWaalsContact C-N 3.32Å |
| 56 | D | 65.6 | Low | 67.6 | Low | 141 Ų | 141 | 144.4 Ų | 144.4 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -2.7 | 175.4 | -56.5 | -25 | 0 | 0 | 0 | 113.5 | N54 | N54-D56 PolarHBondContact O-N 3.47Å; N54-D56 VanDerWaalsContact OD1-CB 3.22Å; N54-D56 WeakPolarHBondContact OD1-CB 3.4Å; N54-D56 VanDerWaalsContact OD1-CG 3.24Å; N54-D56 PolarHBondContact OD1-N 3.13Å; N54-D56 PolarHBondContact OD1-OD2 3.21Å |
| 57 | R | 58.3 | Low | 66.6 | Low | 217 Ų | 217 | 146.5 Ų | 146.5 | 82% | 0.819 | 76% | 0.756 | S | S | * | * | | | trans | -137.3 | 85.5 | 176.1 | -80.8 | -176.7 | 154.4 | 175.4 | -6 | 112.4 | N54 H55 Q59 | N54-R57 PolarHBondContact O-N 3.14Å; H55-R57 VanDerWaalsContact C-N 3.32Å; R57-Q59 PolarHBondContact O-N 3.4Å; R57-Q59 VanDerWaalsContact O-N 3.17Å |
| 58 | V | 59.2 | Low | 65.7 | Low | 104 Ų | 104 | 144.3 Ų | 144.3 | 63% | 0.63 | 75% | 0.75 | S | S | * | * | | | trans | -78.4 | 94 | 165.5 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | F60 | V58-F60 HydrophobicContact CG1-CD2 3.29Å; V58-F60 HydrophobicContact CG1-CE2 3.73Å; V58-F60 HydrophobicContact CG1-CG 4.4Å |
| 59 | Q | 55.8 | Low | 65 | Low | 168 Ų | 168 | 140.8 Ų | 140.8 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | | | trans | -107.5 | 91.7 | 152.3 | -69.8 | -166.5 | -4.7 | 0 | 0 | 106.9 | R57 E61 | R57-Q59 PolarHBondContact O-N 3.4Å; R57-Q59 VanDerWaalsContact O-N 3.17Å; Q59-E61 VanDerWaalsContact C-N 3.29Å; Q59-E61 PolarHBondContact O-N 3.15Å |
| 60 | F | 58.3 | Low | 64.9 | Low | 183 Ų | 183 | 142 Ų | 142 | 80% | 0.803 | 75% | 0.748 | S | S | * | * | | | trans | -66.8 | 92.7 | 166.4 | -95.4 | -87.3 | 0 | 0 | 0 | 107.4 | V58 R62 | V58-F60 HydrophobicContact CG1-CD2 3.29Å; V58-F60 HydrophobicContact CG1-CE2 3.73Å; V58-F60 HydrophobicContact CG1-CG 4.4Å; F60-R62 PolarHBondContact O-N 3.26Å |
| 61 | E | 60.3 | Low | 64.3 | Low | 162 Ų | 162 | 144.8 Ų | 144.8 | 76% | 0.757 | 76% | 0.755 | S | S | * | * | | | trans | -67.6 | 86.5 | 155.4 | -73 | -65 | 163.2 | 0 | 0 | 106.5 | Q59 L63 | Q59-E61 VanDerWaalsContact C-N 3.29Å; Q59-E61 PolarHBondContact O-N 3.15Å; E61-L63 VanDerWaalsContact C-N 3.25Å; E61-L63 PolarHBondContact O-N 2.84Å |
| 62 | R | 56.9 | Low | 63.6 | Low | 225 Ų | 225 | 139.1 Ų | 139.1 | 85% | 0.849 | 74% | 0.741 | S | S | * | * | | | trans | -69.4 | 85.8 | 176.6 | -169.2 | 179.4 | -161.8 | -178.8 | 3.5 | 107.6 | F60 | F60-R62 PolarHBondContact O-N 3.26Š|
| 63 | L | 60.4 | Low | 63.5 | Low | 148 Ų | 148 | 141.5 Ų | 141.5 | 78% | 0.775 | 75% | 0.748 | S | S | * | * | | | trans | -54.6 | 133 | 158.6 | -68.9 | 173.4 | 0 | 0 | 0 | 106.8 | E61 L65 | E61-L63 VanDerWaalsContact C-N 3.25Å; E61-L63 PolarHBondContact O-N 2.84Å; L63-L65 VanDerWaalsContact C-N 3.34Å; L63-L65 PolarHBondContact O-N 3.41Å |
| 64 | P | 54.9 | Low | 63.5 | Low | 117 Ų | 117 | 143 Ų | 143 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | | | trans | -62.3 | 101 | 179.5 | 24.6 | -31.6 | 0 | 0 | 0 | 108 | S66 | P64-S66 PolarHBondContact O-N 3.48Š|
| 65 | L | 61.3 | Low | 63.4 | Low | 158 Ų | 158 | 143.6 Ų | 143.6 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | | | trans | -63.6 | 91.2 | 161.8 | -167.2 | 75.6 | 0 | 0 | 0 | 104.4 | L63 D67 | L63-L65 VanDerWaalsContact C-N 3.34Å; L63-L65 PolarHBondContact O-N 3.41Å; L65-D67 PolarHBondContact O-N 3.48Å |
| 66 | S | 57.8 | Low | 63.6 | Low | 83 Ų | 83 | 146.9 Ų | 146.9 | 58% | 0.58 | 76% | 0.764 | S | S | * | * | | | trans | -55.9 | 133.1 | 172.9 | 48.4 | 0 | 0 | 0 | 0 | 107.4 | P64 T68 | P64-S66 PolarHBondContact O-N 3.48Å; S66-T68 PolarHBondContact O-N 2.67Å |
| 67 | D | 61.6 | Low | 63.9 | Low | 164 Ų | 164 | 149.2 Ų | 149.2 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -66.3 | 31.3 | -171.2 | -63.9 | -52.8 | 0 | 0 | 0 | 114.5 | L65 P69 | L65-D67 PolarHBondContact O-N 3.48Å; D67-P69 VanDerWaalsContact O-CD 3.25Å; D67-P69 WeakPolarHBondContact O-CD 3.21Å |
| 68 | T | 60.7 | Low | 64.4 | Low | 106 Ų | 106 | 147.7 Ų | 147.7 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | | | trans | -77.7 | 115.1 | 170.5 | 57.5 | 0 | 0 | 0 | 0 | 108.4 | S66 T70 | S66-T68 PolarHBondContact O-N 2.67Å; T68-T70 PolarHBondContact O-N 2.96Å |
| 69 | P | 66.8 | Low | 64.7 | Low | 103 Ų | 103 | 152.5 Ų | 152.5 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | | | trans | -57.2 | 128 | 169.8 | 24.7 | -32.6 | 0 | 0 | 0 | 107.8 | D67 T71 | D67-P69 VanDerWaalsContact O-CD 3.25Å; D67-P69 WeakPolarHBondContact O-CD 3.21Å; P69-T71 PolarHBondContact O-N 3.27Å; P69-T71 PolarHBondContact O-OG1 3.41Å |
| 70 | T | 74.9 | Confident | 65.3 | Low | 149 Ų | 149 | 153 Ų | 153 | 91% | 0.914 | 78% | 0.784 | S | S | * | * | | | trans | -58.3 | 85.7 | 171.5 | -57.3 | 0 | 0 | 0 | 0 | 108.5 | T68 | T68-T70 PolarHBondContact O-N 2.96Š|
| 71 | T | 68.8 | Low | 65.8 | Low | 111 Ų | 111 | 153.1 Ų | 153.1 | 68% | 0.681 | 79% | 0.788 | S | S | * | * | | | trans | -82.1 | 121.5 | 175.6 | -58.2 | 0 | 0 | 0 | 0 | 106 | P69 I73 | P69-T71 PolarHBondContact O-N 3.27Å; P69-T71 PolarHBondContact O-OG1 3.41Å; T71-I73 PolarHBondContact O-N 2.91Å |
| 72 | A | 68.4 | Low | 66.1 | Low | 75 Ų | 75 | 152.4 Ų | 152.4 | 62% | 0.62 | 79% | 0.789 | S | S | * | * | | | trans | -50.8 | 127.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | L74 | A72-L74 VanDerWaalsContact C-N 3.28Å; A72-L74 PolarHBondContact O-N 3.34Å |
| 73 | I | 71.7 | Confident | 66.3 | Low | 173 Ų | 173 | 146.4 Ų | 146.4 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | | | trans | -71.4 | 90.7 | 174 | -57.8 | 169.6 | 0 | 0 | 0 | 106.7 | T71 | T71-I73 PolarHBondContact O-N 2.91Š|
| 74 | L | 71.1 | Confident | 66.3 | Low | 141 Ų | 141 | 147.8 Ų | 147.8 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -76 | 137.1 | 165 | -67.6 | 173.7 | 0 | 0 | 0 | 108.3 | A72 R76 | A72-L74 VanDerWaalsContact C-N 3.28Å; A72-L74 PolarHBondContact O-N 3.34Å; L74-R76 PolarHBondContact O-N 3.11Å |
| 75 | P | 73.6 | Confident | 66.7 | Low | 117 Ų | 117 | 148.1 Ų | 148.1 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 130.3 | 172.9 | 16.5 | -23.1 | 0 | 0 | 0 | 109.3 | E77 | P75-E77 PolarHBondContact O-N 2.84Š|
| 76 | R | 70.2 | Confident | 66.5 | Low | 239 Ų | 239 | 143.9 Ų | 143.9 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 121.7 | 175.7 | -69.3 | 178.4 | 176.2 | 172.6 | -1.9 | 107.8 | L74 E78 | L74-R76 PolarHBondContact O-N 3.11Å; R76-E78 PolarHBondContact O-N 3.23Å |
| 77 | E | 71.5 | Confident | 66.9 | Low | 191 Ų | 191 | 145.4 Ų | 145.4 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 119.5 | 167.4 | -66 | -174.2 | 169.4 | 0 | 0 | 108.5 | P75 K79 | P75-E77 PolarHBondContact O-N 2.84Å; E77-K79 PolarHBondContact O-N 3.28Å |
| 78 | E | 67.7 | Low | 67.4 | Low | 184 Ų | 184 | 147 Ų | 147 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | | | trans | -65 | 104.5 | 166.5 | -74.2 | -174.3 | 164.2 | 0 | 0 | 108.2 | R76 K80 | R76-E78 PolarHBondContact O-N 3.23Å; E78-K80 PolarHBondContact O-N 2.92Å |
| 79 | K | 66.7 | Low | 67.9 | Low | 205 Ų | 205 | 149 Ų | 149 | 89% | 0.891 | 82% | 0.815 | S | S | * | * | | | trans | -67.8 | 97.1 | 173.7 | -162.2 | 178.1 | -173.9 | -179.9 | 0 | 108.2 | E77 E81 | E77-K79 PolarHBondContact O-N 3.28Å; K79-E81 PolarHBondContact O-N 3.26Å |
| 80 | K | 67.1 | Low | 68.1 | Low | 178 Ų | 178 | 155.7 Ų | 155.7 | 77% | 0.774 | 85% | 0.845 | S | S | * | * | | | trans | -59.6 | 121.8 | 165.5 | -81.7 | 178.4 | 176.3 | 172.8 | 0 | 108.5 | E78 N82 | E78-K80 PolarHBondContact O-N 2.92Å; K80-N82 PolarHBondContact O-N 2.95Å |
| 81 | E | 70.4 | Confident | 67.7 | Low | 187 Ų | 187 | 156 Ų | 156 | 87% | 0.874 | 84% | 0.842 | S | S | * | * | | | trans | -62.8 | 98.9 | 170.2 | 51.4 | -169.6 | 165.2 | 0 | 0 | 109.8 | K79 A83 | K79-E81 PolarHBondContact O-N 3.26Å; E81-A83 PolarHBondContact O-N 3.09Å |
| 82 | N | 65.3 | Low | 67.7 | Low | 147 Ų | 147 | 158.4 Ų | 158.4 | 79% | 0.786 | 85% | 0.85 | S | S | * | * | | | trans | -80.4 | 100.2 | 166.9 | -65.1 | -8.1 | 0 | 0 | 0 | 107 | K80 L84 | K80-N82 PolarHBondContact O-N 2.95Å; N82-L84 PolarHBondContact O-N 3.09Å |
| 83 | A | 62.5 | Low | 67.6 | Low | 99 Ų | 99 | 163 Ų | 163 | 82% | 0.818 | 86% | 0.863 | S | S | * | * | | | trans | -59.4 | 124.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | E81 | E81-A83 PolarHBondContact O-N 3.09Š|
| 84 | L | 59 | Low | 67.4 | Low | 176 Ų | 176 | 162.4 Ų | 162.4 | 92% | 0.921 | 86% | 0.861 | S | S | * | * | | | trans | -65.2 | 125.5 | 173.5 | -67.8 | 162.1 | 0 | 0 | 0 | 110.4 | N82 | N82-L84 PolarHBondContact O-N 3.09Š|
| 85 | S | 64 | Low | 67.2 | Low | 124 Ų | 124 | 163.8 Ų | 163.8 | 87% | 0.867 | 87% | 0.869 | S | S | * | * | | | trans | 176 | 119.4 | 163 | 155.8 | 0 | 0 | 0 | 0 | 106.7 | | |
| 86 | G | 57 | Low | 66.7 | Low | 70 Ų | 70 | 166.9 Ų | 166.9 | 72% | 0.722 | 88% | 0.876 | S | S | * | * | | | cis | -173.6 | -169.3 | 13.1 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 87 | C | 67.4 | Low | 66.5 | Low | 114 Ų | 114 | 161.7 Ų | 161.7 | 77% | 0.77 | 87% | 0.874 | S | S | * | * | | | trans | -47.7 | 143.4 | -166.2 | -43.8 | 0 | 0 | 0 | 0 | 116 | | |
| 88 | M | 70.4 | Confident | 66.1 | Low | 198 Ų | 198 | 159.5 Ų | 159.5 | 98% | 0.975 | 87% | 0.873 | S | S | * | * | | | trans | -130.6 | 121.4 | 147.3 | -105.8 | 163.4 | 145 | 0 | 0 | 107 | | |
| 89 | D | 72.1 | Confident | 66 | Low | 149 Ų | 149 | 157.4 Ų | 157.4 | 80% | 0.797 | 87% | 0.874 | S | S | * | * | | | trans | -73.3 | 162.7 | -173 | -52.1 | -52.6 | 0 | 0 | 0 | 111.9 | | |
| 90 | N | 70.2 | Confident | 65.9 | Low | 242 Ų | 242 | 153.1 Ų | 153.1 | 100% | 1.294 | 87% | 0.873 | S | S | * | * | | | trans | -37.8 | 0 | -171 | -60.8 | -44.5 | 0 | 0 | 0 | 118.6 | | |