| 1 | I | 58.7 | Low | 70 | Confident | 205 Ų | 205 | 139.9 Ų | 139.9 | 100% | 1.051 | 74% | 0.743 | S | S | * | * | | | | 0 | 112.6 | 0 | -66.1 | 167.7 | 0 | 0 | 0 | 106.9 | T6 | I1-T6 HydrophobicContact CG2-CG2 4.39Š|
| 2 | S | 63 | Low | 69.9 | Low | 66 Ų | 66 | 138.2 Ų | 138.2 | 46% | 0.462 | 72% | 0.72 | S | S | . | * | | | trans | -87.5 | 117.9 | 178.1 | 172.6 | 0 | 0 | 0 | 0 | 109.1 | N4 S5 T6 | S2-N4 PolarHBondContact O-N 3.05Å; S2-S5 VanDerWaalsContact O-N 3.16Å; S2-S5 PolarHBondContact O-N 2.95Å; S2-T6 WeakPolarHBondContact O-CB 3.25Å; S2-T6 PolarHBondContact O-N 3.1Å; S2-T6 PolarHBondContact O-OG1 3.1Å |
| 3 | A | 69.1 | Low | 69.8 | Low | 85 Ų | 85 | 131.8 Ų | 131.8 | 70% | 0.702 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -62.5 | -30.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S5 | A3-S5 VanDerWaalsContact C-N 3.27Å; A3-S5 PolarHBondContact O-N 2.79Å |
| 4 | N | 77.8 | Confident | 69.9 | Low | 164 Ų | 164 | 134.6 Ų | 134.6 | 88% | 0.877 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -76.7 | -13.4 | 179.9 | -66.1 | -23.7 | 0 | 0 | 0 | 113.6 | S2 | S2-N4 PolarHBondContact O-N 3.05Š|
| 5 | S | 62 | Low | 69.9 | Low | 102 Ų | 102 | 138 Ų | 138 | 71% | 0.713 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -115 | 1.2 | -177.8 | -50.5 | 0 | 0 | 0 | 0 | 113 | S2 A3 | S2-S5 VanDerWaalsContact O-N 3.16Å; S2-S5 PolarHBondContact O-N 2.95Å; A3-S5 VanDerWaalsContact C-N 3.27Å; A3-S5 PolarHBondContact O-N 2.79Å |
| 6 | T | 73.1 | Confident | 69.6 | Low | 82 Ų | 82 | 134 Ų | 134 | 50% | 0.503 | 72% | 0.716 | S | S | . | * | | | trans | -114 | 107.8 | -173.7 | -52.6 | 0 | 0 | 0 | 0 | 109.1 | I1 S2 | I1-T6 HydrophobicContact CG2-CG2 4.39Å; S2-T6 WeakPolarHBondContact O-CB 3.25Å; S2-T6 PolarHBondContact O-N 3.1Å; S2-T6 PolarHBondContact O-OG1 3.1Å |
| 7 | R | 74.6 | Confident | 69.1 | Low | 229 Ų | 229 | 135.4 Ų | 135.4 | 86% | 0.864 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 148.6 | 170.3 | -66.6 | -172.6 | -175.3 | -114.7 | 1.8 | 109.6 | A9 | R7-A9 PolarHBondContact O-N 3.17Š|
| 8 | P | 73 | Confident | 69.1 | Low | 128 Ų | 128 | 137.6 Ų | 137.6 | 83% | 0.831 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 128.7 | 178.4 | 21.8 | -31.2 | 0 | 0 | 0 | 110.8 | | |
| 9 | A | 72.6 | Confident | 69.1 | Low | 80 Ų | 80 | 134.9 Ų | 134.9 | 66% | 0.661 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 140 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | R7 | R7-A9 PolarHBondContact O-N 3.17Š|
| 10 | R | 73.3 | Confident | 69.1 | Low | 160 Ų | 160 | 132.4 Ų | 132.4 | 60% | 0.604 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 154.6 | 176 | -64.2 | 176.2 | 72.1 | -179.8 | -7.4 | 108.7 | Y12 T13 | R10-Y12 VanDerWaalsContact CZ-CE1 3.4Å; R10-Y12 PolarHBondContact O-N 3.28Å; R10-Y12 PolarHBondContact NH1-OH 3.14Å; R10-Y12 VanDerWaalsContact NE-OH 3.1Å; R10-Y12 PolarHBondContact NE-OH 2.75Å; R10-Y12 HydrophobicContact CG-CE1 4.26Å; R10-Y12 WeakPolarHBondContact CD-OH 3.23Å; R10-Y12 VanDerWaalsContact CD-OH 3.25Å; R10-Y12 HydrophobicContact CB-CE1 3.62Å; R10-Y12 HydrophobicContact CB-CD1 3.97Å; R10-T13 PolarHBondContact N-OG1 3.3Å; R10-T13 VanDerWaalsContact O-CB 3.23Å; R10-T13 WeakPolarHBondContact O-CB 3.23Å; R10-T13 PolarHBondContact O-N 3.33Å; R10-T13 PolarHBondContact O-OG1 2.84Å; R10-T13 VanDerWaalsContact O-OG1 3.1Å |
| 11 | W | 73.4 | Confident | 69.1 | Low | 238 Ų | 238 | 131.7 Ų | 131.7 | 90% | 0.902 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -20.8 | -176.6 | 62.1 | -94.1 | 0 | 0 | 0 | 114.8 | | |
| 12 | Y | 68.3 | Low | 69.7 | Low | 119 Ų | 119 | 130.9 Ų | 130.9 | 47% | 0.467 | 68% | 0.684 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.6 | 1.1 | 175.9 | 65.1 | -97 | 0 | 0 | 0 | 113.4 | R10 K14 | R10-Y12 VanDerWaalsContact CZ-CE1 3.4Å; R10-Y12 PolarHBondContact O-N 3.28Å; R10-Y12 PolarHBondContact NH1-OH 3.14Å; R10-Y12 VanDerWaalsContact NE-OH 3.1Å; R10-Y12 PolarHBondContact NE-OH 2.75Å; R10-Y12 HydrophobicContact CG-CE1 4.26Å; R10-Y12 WeakPolarHBondContact CD-OH 3.23Å; R10-Y12 VanDerWaalsContact CD-OH 3.25Å; R10-Y12 HydrophobicContact CB-CE1 3.62Å; R10-Y12 HydrophobicContact CB-CD1 3.97Å; Y12-K14 PolarHBondContact O-N 2.88Å |
| 13 | T | 68.3 | Low | 69.5 | Low | 55 Ų | 55 | 133.3 Ų | 133.3 | 34% | 0.337 | 70% | 0.698 | S | S | . | * | | | trans | -70.7 | 100.1 | 179 | -55.3 | 0 | 0 | 0 | 0 | 108.4 | R10 L15 | R10-T13 PolarHBondContact N-OG1 3.3Å; R10-T13 VanDerWaalsContact O-CB 3.23Å; R10-T13 WeakPolarHBondContact O-CB 3.23Å; R10-T13 PolarHBondContact O-N 3.33Å; R10-T13 PolarHBondContact O-OG1 2.84Å; R10-T13 VanDerWaalsContact O-OG1 3.1Å; T13-L15 PolarHBondContact O-N 2.68Å |
| 14 | K | 72.3 | Confident | 69.2 | Low | 172 Ų | 172 | 137.6 Ų | 137.6 | 75% | 0.748 | 70% | 0.701 | S | S | * | * | | | trans | -59.2 | 122.8 | 177.7 | -167.1 | 170.7 | -175 | 175 | 0 | 109.1 | Y12 G16 F17 | Y12-K14 PolarHBondContact O-N 2.88Å; K14-G16 PolarHBondContact O-N 3.16Å; K14-F17 VanDerWaalsContact O-N 3.14Å; K14-F17 PolarHBondContact O-N 2.67Å |
| 15 | L | 69 | Low | 68.2 | Low | 185 Ų | 185 | 134.8 Ų | 134.8 | 97% | 0.969 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | 17.8 | -171.5 | -71 | 170.9 | 0 | 0 | 0 | 116.7 | T13 | T13-L15 PolarHBondContact O-N 2.68Š|
| 16 | G | 65.9 | Low | 68.1 | Low | 74 Ų | 74 | 134.3 Ų | 134.3 | 76% | 0.763 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.4 | 7.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | K14 | K14-G16 PolarHBondContact O-N 3.16Š|
| 17 | F | 61.3 | Low | 67.1 | Low | 158 Ų | 158 | 134.4 Ų | 134.4 | 69% | 0.693 | 70% | 0.7 | S | S | * | * | | | trans | -127.5 | 82.8 | -179.5 | -153.8 | -96.9 | 0 | 0 | 0 | 110 | K14 | K14-F17 VanDerWaalsContact O-N 3.14Å; K14-F17 PolarHBondContact O-N 2.67Å |
| 18 | F | 68.2 | Low | 66.1 | Low | 174 Ų | 174 | 128.8 Ų | 128.8 | 76% | 0.763 | 69% | 0.686 | S | S | * | * | | | trans | -78.2 | 121.9 | 159 | -135.8 | -94.6 | 0 | 0 | 0 | 106.3 | D20 | F18-D20 PolarHBondContact O-N 3.09Š|
| 19 | P | 69.6 | Low | 65.1 | Low | 88 Ų | 88 | 129.8 Ų | 129.8 | 57% | 0.571 | 68% | 0.683 | S | S | * | * | | | trans | -56.9 | 136.8 | 171.7 | 25.8 | -32 | 0 | 0 | 0 | 107.6 | P21 | P19-P21 VanDerWaalsContact O-N 3.13Š|
| 20 | D | 69.1 | Low | 64.1 | Low | 84 Ų | 84 | 133.8 Ų | 133.8 | 45% | 0.449 | 69% | 0.691 | S | S | . | * | | | trans | -45 | 121.4 | 179.1 | -170.4 | -30.6 | 0 | 0 | 0 | 110 | F18 R22 | F18-D20 PolarHBondContact O-N 3.09Å; D20-R22 IonicContact OD2-CZ 3.08Å; D20-R22 PolarHBondContact OD2-NH2 2.7Å; D20-R22 IonicContact OD2-NH2 2.68Å; D20-R22 PolarHBondContact OD2-NE 3.28Å; D20-R22 IonicContact OD2-NE 2.68Å; D20-R22 PolarHBondContact OD1-NE 3.36Å; D20-R22 IonicContact OD1-NE 3.36Å; D20-R22 PolarHBondContact OD1-N 2.84Å; D20-R22 WeakPolarHBondContact OD1-CG 3.41Å; D20-R22 WeakPolarHBondContact OD1-CB 3.44Å; D20-R22 VanDerWaalsContact OD1-CB 3.23Å; D20-R22 VanDerWaalsContact O-N 3.09Å; D20-R22 PolarHBondContact O-N 2.9Å; D20-R22 VanDerWaalsContact CG-NE 3.3Å |
| 21 | P | 67.9 | Low | 63.1 | Low | 118 Ų | 118 | 129 Ų | 129 | 77% | 0.766 | 69% | 0.686 | S | S | * | * | | | trans | -68.7 | -4.7 | -178 | 29.7 | -36.2 | 0 | 0 | 0 | 112.5 | P19 P23 | P19-P21 VanDerWaalsContact O-N 3.13Å; P21-P23 WeakPolarHBondContact O-CD 3.16Å; P21-P23 VanDerWaalsContact O-N 3.12Å |
| 22 | R | 71.1 | Confident | 62.2 | Low | 188 Ų | 188 | 127 Ų | 127 | 71% | 0.709 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -52.5 | 120.6 | 172.8 | -79.1 | -174.8 | -65.2 | 164.8 | 0.6 | 108.8 | D20 K24 | D20-R22 IonicContact OD2-CZ 3.08Å; D20-R22 PolarHBondContact OD2-NH2 2.7Å; D20-R22 IonicContact OD2-NH2 2.68Å; D20-R22 PolarHBondContact OD2-NE 3.28Å; D20-R22 IonicContact OD2-NE 2.68Å; D20-R22 PolarHBondContact OD1-NE 3.36Å; D20-R22 IonicContact OD1-NE 3.36Å; D20-R22 PolarHBondContact OD1-N 2.84Å; D20-R22 WeakPolarHBondContact OD1-CG 3.41Å; D20-R22 WeakPolarHBondContact OD1-CB 3.44Å; D20-R22 VanDerWaalsContact OD1-CB 3.23Å; D20-R22 VanDerWaalsContact O-N 3.09Å; D20-R22 PolarHBondContact O-N 2.9Å; D20-R22 VanDerWaalsContact CG-NE 3.3Å; R22-K24 PolarHBondContact O-N 2.68Å; R22-K24 VanDerWaalsContact O-N 3.16Å |
| 23 | P | 60.5 | Low | 61.3 | Low | 117 Ų | 117 | 134.4 Ų | 134.4 | 76% | 0.76 | 72% | 0.723 | S | S | * | * | | | trans | -54 | 129.3 | 170.7 | 20.9 | -29.3 | 0 | 0 | 0 | 107.1 | P21 S25 | P21-P23 WeakPolarHBondContact O-CD 3.16Å; P21-P23 VanDerWaalsContact O-N 3.12Å; P23-S25 PolarHBondContact O-N 3.16Å |
| 24 | K | 61.2 | Low | 60.9 | Low | 175 Ų | 175 | 138.4 Ų | 138.4 | 76% | 0.761 | 74% | 0.742 | S | S | * | * | | | trans | -49.6 | 110.2 | -179.3 | -65.1 | -171.3 | -173.4 | 177.6 | 0 | 107.5 | R22 S26 L28 | R22-K24 PolarHBondContact O-N 2.68Å; R22-K24 VanDerWaalsContact O-N 3.16Å; K24-S26 PolarHBondContact O-N 3.39Å; K24-L28 HydrophobicContact CD-CD1 3.7Å |
| 25 | S | 57.7 | Low | 60.3 | Low | 104 Ų | 104 | 136.6 Ų | 136.6 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | | | trans | -57.9 | 101.8 | -175.6 | -176.2 | 0 | 0 | 0 | 0 | 108.7 | P23 A27 | P23-S25 PolarHBondContact O-N 3.16Å; S25-A27 PolarHBondContact O-N 3.29Å |
| 26 | S | 59.3 | Low | 59.9 | Low | 93 Ų | 93 | 133.9 Ų | 133.9 | 65% | 0.65 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 42.1 | -0.8 | 153.8 | 54.5 | 0 | 0 | 0 | 0 | 121.9 | K24 | K24-S26 PolarHBondContact O-N 3.39Š|
| 27 | A | 53.6 | Low | 59.5 | Low | 84 Ų | 84 | 137.5 Ų | 137.5 | 69% | 0.694 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -101.1 | 2.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S25 | S25-A27 PolarHBondContact O-N 3.29Š|
| 28 | L | 52.4 | Low | 59.4 | Low | 110 Ų | 110 | 136.2 Ų | 136.2 | 58% | 0.576 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -119.3 | 5.8 | -179.2 | -71.3 | 173.7 | 0 | 0 | 0 | 114.5 | K24 I30 | K24-L28 HydrophobicContact CD-CD1 3.7Å; L28-I30 VanDerWaalsContact C-N 3.33Å |
| 29 | I | 53.3 | Low | 58.8 | Low | 149 Ų | 149 | 133.7 Ų | 133.7 | 76% | 0.764 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -13.4 | 179.7 | -62.1 | 178.1 | 0 | 0 | 0 | 112 | | |
| 30 | I | 51.3 | Low | 58 | Low | 165 Ų | 165 | 136.9 Ų | 136.9 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | 11 | -179.2 | -14.1 | 176 | 0 | 0 | 0 | 114.1 | L28 | L28-I30 VanDerWaalsContact C-N 3.33Š|
| 31 | A | 51.6 | Low | 57.2 | Low | 59 Ų | 59 | 141 Ų | 141 | 49% | 0.488 | 76% | 0.761 | S | S | . | * | S | Bend | trans | -107.9 | 4.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 32 | F | 55.6 | Low | 56.3 | Low | 196 Ų | 196 | 142.9 Ų | 142.9 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | | | trans | -150.1 | 78.3 | 172.9 | -65.9 | -79.1 | 0 | 0 | 0 | 109.9 | | |
| 33 | Q | 48.2 | Very low | 54.9 | Low | 275 Ų | 275 | 138.8 Ų | 138.8 | 100% | 1.285 | 77% | 0.765 | S | S | * | * | | | trans | -81.7 | 0 | 139.9 | -82.7 | -163 | 98.6 | 0 | 0 | 107.7 | | |