| 1 | M | 46.7 | Very low | 61.5 | Low | 247 Ų | 247 | 120.5 Ų | 120.5 | 100% | 1.217 | 66% | 0.663 | S | S | * | * | | | | 0 | 83 | 0 | -79.1 | 174.5 | 177.3 | 0 | 0 | 107.6 | G3 | M1-G3 PolarHBondContact O-N 3.01Š|
| 2 | T | 51.4 | Low | 62.3 | Low | 136 Ų | 136 | 121.3 Ų | 121.3 | 83% | 0.834 | 66% | 0.658 | S | S | * | * | | | trans | -73.3 | 109.8 | 167.2 | -13.8 | 0 | 0 | 0 | 0 | 104.8 | D4 | T2-D4 PolarHBondContact O-N 3.38Š|
| 3 | G | 60.1 | Low | 63 | Low | 60 Ų | 60 | 117.3 Ų | 117.3 | 62% | 0.619 | 64% | 0.637 | S | S | * | * | | | trans | -52.5 | 136 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | M1 T5 | M1-G3 PolarHBondContact O-N 3.01Å; G3-T5 PolarHBondContact O-N 3.44Å |
| 4 | D | 57.1 | Low | 63.2 | Low | 93 Ų | 93 | 114.2 Ų | 114.2 | 50% | 0.497 | 62% | 0.619 | S | S | . | * | | | trans | -46.7 | 101.9 | -175.3 | -55.6 | -40.2 | 0 | 0 | 0 | 110.9 | T2 D6 K7 | T2-D4 PolarHBondContact O-N 3.38Å; D4-D6 PolarHBondContact O-N 3.13Å; D4-K7 HydrophobicContact CB-CD 3.98Å; D4-K7 HydrophobicContact CB-CG 4.05Å; D4-K7 PolarHBondContact O-N 3.06Å; D4-K7 VanDerWaalsContact O-N 3.1Å; D4-K7 WeakPolarHBondContact OD2-CE 3.36Å; D4-K7 IonicContact OD2-NZ 2.65Å; D4-K7 PolarHBondContact OD2-NZ 3.06Å |
| 5 | T | 56 | Low | 63.2 | Low | 79 Ų | 79 | 114.3 Ų | 114.3 | 49% | 0.485 | 61% | 0.611 | S | S | . | * | G | 310 helix | trans | -63 | -7.5 | 173.5 | 44.5 | 0 | 0 | 0 | 0 | 112 | G3 K7 Y8 | G3-T5 PolarHBondContact O-N 3.44Å; T5-K7 VanDerWaalsContact C-N 3.28Å; T5-Y8 VanDerWaalsContact CA-CE2 3.41Å; T5-Y8 HydrophobicContact CG2-CE2 3.67Å; T5-Y8 WeakPolarHBondContact O-CD2 3.48Å; T5-Y8 WeakPolarHBondContact O-CE2 3.29Å |
| 6 | D | 60.1 | Low | 63.1 | Low | 150 Ų | 150 | 115.8 Ų | 115.8 | 80% | 0.802 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -87.9 | -3.2 | 179.8 | -48.4 | -22.5 | 0 | 0 | 0 | 111.6 | D4 | D4-D6 PolarHBondContact O-N 3.13Š|
| 7 | K | 67.6 | Low | 63.1 | Low | 150 Ų | 150 | 116.5 Ų | 116.5 | 65% | 0.652 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -108.5 | 19.9 | 176.9 | -62.8 | 178.9 | -176.6 | 152 | 0 | 112.5 | D4 T5 L9 | D4-K7 HydrophobicContact CB-CD 3.98Å; D4-K7 HydrophobicContact CB-CG 4.05Å; D4-K7 PolarHBondContact O-N 3.06Å; D4-K7 VanDerWaalsContact O-N 3.1Å; D4-K7 WeakPolarHBondContact OD2-CE 3.36Å; D4-K7 IonicContact OD2-NZ 2.65Å; D4-K7 PolarHBondContact OD2-NZ 3.06Å; T5-K7 VanDerWaalsContact C-N 3.28Å; K7-L9 PolarHBondContact O-N 2.97Å; K7-L9 VanDerWaalsContact O-N 3.07Å |
| 8 | Y | 69.7 | Low | 63 | Low | 179 Ų | 179 | 110.6 Ų | 110.6 | 70% | 0.702 | 59% | 0.588 | S | S | * | * | | | trans | -66.3 | 113.6 | 167.7 | -66.9 | -55.2 | 0 | 0 | 0 | 108.4 | T5 G10 | T5-Y8 VanDerWaalsContact CA-CE2 3.41Å; T5-Y8 HydrophobicContact CG2-CE2 3.67Å; T5-Y8 WeakPolarHBondContact O-CD2 3.48Å; T5-Y8 WeakPolarHBondContact O-CE2 3.29Å; Y8-G10 PolarHBondContact O-N 3.05Å |
| 9 | L | 70.8 | Confident | 63 | Low | 93 Ų | 93 | 110.5 Ų | 110.5 | 49% | 0.487 | 59% | 0.588 | S | S | . | * | | | trans | -48.2 | 131.7 | 168.9 | -72.6 | -176.7 | 0 | 0 | 0 | 109.4 | K7 D13 L14 L17 | K7-L9 PolarHBondContact O-N 2.97Å; K7-L9 VanDerWaalsContact O-N 3.07Å; L9-D13 HydrophobicContact CB-CB 3.67Å; L9-D13 HydrophobicContact CD1-CB 4.34Å; L9-D13 HydrophobicContact CD2-CB 3.91Å; L9-D13 HydrophobicContact CG-CB 4.16Å; L9-L14 HydrophobicContact CB-CD2 4.23Å; L9-L14 HydrophobicContact CB-CG 4.34Å; L9-L17 HydrophobicContact CD1-CD1 3.92Å |
| 10 | G | 72.6 | Confident | 63.2 | Low | 27 Ų | 27 | 112.4 Ų | 112.4 | 28% | 0.278 | 60% | 0.598 | S | S | . | * | | | trans | -65.9 | 166.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y8 Q12 D13 L14 | Y8-G10 PolarHBondContact O-N 3.05Å; G10-Q12 PolarHBondContact O-N 3.23Å; G10-D13 PolarHBondContact N-OD2 3.39Å; G10-D13 PolarHBondContact O-N 2.87Å; G10-L14 PolarHBondContact O-N 3.07Å |
| 11 | P | 63.9 | Low | 63.1 | Low | 111 Ų | 111 | 112.2 Ų | 112.2 | 72% | 0.721 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -55.3 | -24.6 | 176.7 | -26.5 | 34.9 | 0 | 0 | 0 | 114.3 | K15 | P11-K15 VanDerWaalsContact O-CB 3.29Å; P11-K15 WeakPolarHBondContact O-CB 3.24Å; P11-K15 PolarHBondContact O-N 3.1Å |
| 12 | Q | 71.3 | Confident | 63.6 | Low | 130 Ų | 130 | 104 Ų | 104 | 61% | 0.607 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -73 | -46.6 | 175.5 | -59.6 | -65.6 | 8.9 | 0 | 0 | 111.8 | G10 L14 K15 E16 | G10-Q12 PolarHBondContact O-N 3.23Å; Q12-L14 VanDerWaalsContact C-N 3.31Å; Q12-L14 PolarHBondContact O-N 3.44Å; Q12-K15 WeakPolarHBondContact O-CB 3.29Å; Q12-K15 PolarHBondContact O-N 3.47Å; Q12-K15 VanDerWaalsContact O-N 3.13Å; Q12-E16 WeakPolarHBondContact O-CG 3.05Å; Q12-E16 PolarHBondContact O-N 3.44Å |
| 13 | D | 71.6 | Confident | 63.9 | Low | 70 Ų | 70 | 102 Ų | 102 | 37% | 0.374 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.8 | -38.9 | 175.9 | -54.4 | -43.1 | 0 | 0 | 0 | 111 | L9 G10 K15 E16 L17 | L9-D13 HydrophobicContact CB-CB 3.67Å; L9-D13 HydrophobicContact CD1-CB 4.34Å; L9-D13 HydrophobicContact CD2-CB 3.91Å; L9-D13 HydrophobicContact CG-CB 4.16Å; G10-D13 PolarHBondContact N-OD2 3.39Å; G10-D13 PolarHBondContact O-N 2.87Å; D13-K15 VanDerWaalsContact C-N 3.3Å; D13-K15 PolarHBondContact O-N 2.6Å; D13-E16 PolarHBondContact O-N 3.23Å; D13-L17 WeakPolarHBondContact O-CG 3.43Å; D13-L17 PolarHBondContact O-N 3.21Å |
| 14 | L | 66.3 | Low | 63.9 | Low | 74 Ų | 74 | 103.7 Ų | 103.7 | 39% | 0.387 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.5 | -30.7 | 174.8 | -68 | 176.5 | 0 | 0 | 0 | 112.7 | L9 G10 Q12 L17 | L9-L14 HydrophobicContact CB-CD2 4.23Å; L9-L14 HydrophobicContact CB-CG 4.34Å; G10-L14 PolarHBondContact O-N 3.07Å; Q12-L14 VanDerWaalsContact C-N 3.31Å; Q12-L14 PolarHBondContact O-N 3.44Å; L14-L17 HydrophobicContact CD2-CD1 4.34Å |
| 15 | K | 62.7 | Low | 63.9 | Low | 115 Ų | 115 | 107.4 Ų | 107.4 | 50% | 0.5 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.6 | -41.9 | 175.4 | 180 | -174.5 | 173 | -169.3 | 0 | 110.9 | P11 Q12 D13 L17 G18 | P11-K15 VanDerWaalsContact O-CB 3.29Å; P11-K15 WeakPolarHBondContact O-CB 3.24Å; P11-K15 PolarHBondContact O-N 3.1Å; Q12-K15 WeakPolarHBondContact O-CB 3.29Å; Q12-K15 PolarHBondContact O-N 3.47Å; Q12-K15 VanDerWaalsContact O-N 3.13Å; D13-K15 VanDerWaalsContact C-N 3.3Å; D13-K15 PolarHBondContact O-N 2.6Å; K15-L17 VanDerWaalsContact C-N 3.3Å; K15-L17 PolarHBondContact O-N 3.24Å; K15-G18 PolarHBondContact O-N 3.01Å |
| 16 | E | 62.3 | Low | 64 | Low | 138 Ų | 138 | 107 Ų | 107 | 65% | 0.645 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65.7 | -30.3 | 177.1 | -69 | 178.7 | -169.8 | 0 | 0 | 112.6 | Q12 D13 G18 | Q12-E16 WeakPolarHBondContact O-CG 3.05Å; Q12-E16 PolarHBondContact O-N 3.44Å; D13-E16 PolarHBondContact O-N 3.23Å; E16-G18 PolarHBondContact O-N 2.83Å |
| 17 | L | 62.5 | Low | 63.8 | Low | 129 Ų | 129 | 104.1 Ų | 104.1 | 68% | 0.675 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -11.6 | 175.4 | -71.8 | 177.4 | 0 | 0 | 0 | 114.9 | L9 D13 L14 K15 | L9-L17 HydrophobicContact CD1-CD1 3.92Å; D13-L17 WeakPolarHBondContact O-CG 3.43Å; D13-L17 PolarHBondContact O-N 3.21Å; L14-L17 HydrophobicContact CD2-CD1 4.34Å; K15-L17 VanDerWaalsContact C-N 3.3Å; K15-L17 PolarHBondContact O-N 3.24Å |
| 18 | G | 61.8 | Low | 63.4 | Low | 10 Ų | 10 | 105.6 Ų | 105.6 | 10% | 0.103 | 58% | 0.58 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -122.4 | 17.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115 | K15 E16 L22 Y27 | K15-G18 PolarHBondContact O-N 3.01Å; E16-G18 PolarHBondContact O-N 2.83Å; G18-L22 WeakPolarHBondContact O-CD1 3.33Å; G18-Y27 VanDerWaalsContact O-CZ 3.32Å; G18-Y27 PolarHBondContact O-OH 3.03Å |
| 19 | D | 62.5 | Low | 63 | Low | 109 Ų | 109 | 98 Ų | 98 | 58% | 0.583 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -109.7 | -13.6 | 175.6 | -100.7 | -16.4 | 0 | 0 | 0 | 113.7 | S21 | D19-S21 PolarHBondContact O-N 3.07Š|
| 20 | D | 67.2 | Low | 62.4 | Low | 147 Ų | 147 | 99 Ų | 99 | 79% | 0.786 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -1.4 | -161.6 | -89.8 | 1.7 | 0 | 0 | 0 | 117.6 | | |
| 21 | S | 61.1 | Low | 61.5 | Low | 109 Ų | 109 | 101.5 Ų | 101.5 | 76% | 0.762 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -158.7 | 29.4 | -176.4 | -52 | 0 | 0 | 0 | 0 | 117 | D19 | D19-S21 PolarHBondContact O-N 3.07Š|
| 22 | L | 56.3 | Low | 61.1 | Low | 74 Ų | 74 | 103.2 Ų | 103.2 | 39% | 0.387 | 57% | 0.572 | S | S | . | * | | | trans | -99.9 | 123.1 | -167.9 | -66 | 140.9 | 0 | 0 | 0 | 111.1 | G18 A24 Y27 | G18-L22 WeakPolarHBondContact O-CD1 3.33Å; L22-A24 PolarHBondContact O-N 2.8Å; L22-Y27 HydrophobicContact CB-CD1 4.14Å; L22-Y27 HydrophobicContact CB-CD2 3.73Å; L22-Y27 HydrophobicContact CB-CE2 4.22Å; L22-Y27 HydrophobicContact CB-CG 3.65Å; L22-Y27 HydrophobicContact CD1-CD1 3.71Å; L22-Y27 HydrophobicContact CD1-CD2 3.41Å; L22-Y27 VanDerWaalsContact CD1-CD2 3.41Å; L22-Y27 HydrophobicContact CD1-CE1 3.33Å; L22-Y27 HydrophobicContact CD1-CE2 3Å; L22-Y27 HydrophobicContact CD1-CG 3.72Å; L22-Y27 VanDerWaalsContact CD1-OH 3.29Å; L22-Y27 WeakPolarHBondContact CD1-OH 2.86Å; L22-Y27 HydrophobicContact CD2-CD2 3.14Å; L22-Y27 HydrophobicContact CD2-CE2 3.24Å; L22-Y27 HydrophobicContact CD2-CG 4.01Å; L22-Y27 HydrophobicContact CG-CD1 4.36Å; L22-Y27 HydrophobicContact CG-CD2 3.47Å; L22-Y27 VanDerWaalsContact CG-CD2 3.47Å; L22-Y27 HydrophobicContact CG-CE1 4.38Å; L22-Y27 HydrophobicContact CG-CE2 3.5Å; L22-Y27 VanDerWaalsContact CG-CE2 3.5Å; L22-Y27 HydrophobicContact CG-CG 3.9Å |
| 23 | P | 57.7 | Low | 60.2 | Low | 95 Ų | 95 | 100.9 Ų | 100.9 | 62% | 0.617 | 58% | 0.583 | S | S | * | * | | | trans | -61 | 138.1 | 179.3 | 24.6 | -31.4 | 0 | 0 | 0 | 109.3 | E25 | P23-E25 PolarHBondContact O-N 2.88Š|
| 24 | A | 60.9 | Low | 59.3 | Low | 96 Ų | 96 | 101.1 Ų | 101.1 | 79% | 0.793 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | -21 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114 | L22 | L22-A24 PolarHBondContact O-N 2.8Š|
| 25 | E | 56.9 | Low | 58.7 | Low | 171 Ų | 171 | 107.9 Ų | 107.9 | 80% | 0.799 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | 91.5 | 176.3 | -60.2 | 85.8 | -164.2 | 0 | 0 | 112.1 | P23 | P23-E25 PolarHBondContact O-N 2.88Š|
| 26 | G | 57.4 | Low | 58.3 | Low | 71 Ų | 71 | 107.7 Ų | 107.7 | 73% | 0.732 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 129.5 | 10.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | M28 | G26-M28 PolarHBondContact O-N 2.86Š|
| 27 | Y | 56.3 | Low | 57.9 | Low | 89 Ų | 89 | 105.3 Ų | 105.3 | 35% | 0.349 | 63% | 0.632 | S | S | . | * | | | trans | -71.7 | 97 | 176.7 | -173 | -127.8 | 0 | 0 | 0 | 112.7 | G18 L22 G29 F30 | G18-Y27 VanDerWaalsContact O-CZ 3.32Å; G18-Y27 PolarHBondContact O-OH 3.03Å; L22-Y27 HydrophobicContact CB-CD1 4.14Å; L22-Y27 HydrophobicContact CB-CD2 3.73Å; L22-Y27 HydrophobicContact CB-CE2 4.22Å; L22-Y27 HydrophobicContact CB-CG 3.65Å; L22-Y27 HydrophobicContact CD1-CD1 3.71Å; L22-Y27 HydrophobicContact CD1-CD2 3.41Å; L22-Y27 VanDerWaalsContact CD1-CD2 3.41Å; L22-Y27 HydrophobicContact CD1-CE1 3.33Å; L22-Y27 HydrophobicContact CD1-CE2 3Å; L22-Y27 HydrophobicContact CD1-CG 3.72Å; L22-Y27 VanDerWaalsContact CD1-OH 3.29Å; L22-Y27 WeakPolarHBondContact CD1-OH 2.86Å; L22-Y27 HydrophobicContact CD2-CD2 3.14Å; L22-Y27 HydrophobicContact CD2-CE2 3.24Å; L22-Y27 HydrophobicContact CD2-CG 4.01Å; L22-Y27 HydrophobicContact CG-CD1 4.36Å; L22-Y27 HydrophobicContact CG-CD2 3.47Å; L22-Y27 VanDerWaalsContact CG-CD2 3.47Å; L22-Y27 HydrophobicContact CG-CE1 4.38Å; L22-Y27 HydrophobicContact CG-CE2 3.5Å; L22-Y27 VanDerWaalsContact CG-CE2 3.5Å; L22-Y27 HydrophobicContact CG-CG 3.9Å; Y27-G29 PolarHBondContact O-N 2.65Å; Y27-G29 WeakPolarHBondContact OH-CA 3.44Å; Y27-F30 WeakPolarHBondContact OH-CD1 3.49Å; Y27-F30 VanDerWaalsContact OH-CE1 3.24Å; Y27-F30 WeakPolarHBondContact OH-CE1 3.45Å |
| 28 | M | 58.8 | Low | 57.6 | Low | 181 Ų | 181 | 104 Ų | 104 | 89% | 0.892 | 63% | 0.633 | S | S | * | * | | | trans | -85.8 | 90.6 | 154.6 | -68.3 | -155.2 | -61.7 | 0 | 0 | 107.6 | G26 | G26-M28 PolarHBondContact O-N 2.86Š|
| 29 | G | 61.2 | Low | 57.3 | Low | 18 Ų | 18 | 112.4 Ų | 112.4 | 19% | 0.186 | 67% | 0.67 | C | S | . | * | | | trans | -55.8 | 157.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y27 S31 | Y27-G29 PolarHBondContact O-N 2.65Å; Y27-G29 WeakPolarHBondContact OH-CA 3.44Å; G29-S31 WeakPolarHBondContact O-CA 3.42Å; G29-S31 PolarHBondContact O-N 3.41Å; G29-S31 PolarHBondContact O-OG 2.59Å |
| 30 | F | 58.9 | Low | 57 | Low | 116 Ų | 116 | 111.4 Ų | 111.4 | 51% | 0.509 | 68% | 0.677 | S | S | . | * | | | trans | -47 | 74.4 | 179.7 | 53.7 | -80.7 | 0 | 0 | 0 | 111.3 | Y27 L32 | Y27-F30 WeakPolarHBondContact OH-CD1 3.49Å; Y27-F30 VanDerWaalsContact OH-CE1 3.24Å; Y27-F30 WeakPolarHBondContact OH-CE1 3.45Å; F30-L32 VanDerWaalsContact C-N 3.3Å; F30-L32 PolarHBondContact O-N 2.99Å |
| 31 | S | 55 | Low | 56.3 | Low | 78 Ų | 78 | 109.5 Ų | 109.5 | 55% | 0.545 | 68% | 0.681 | S | S | . | * | | | trans | -77 | 89.9 | -173.3 | -65.6 | 0 | 0 | 0 | 0 | 106.3 | G29 G33 A34 | G29-S31 WeakPolarHBondContact O-CA 3.42Å; G29-S31 PolarHBondContact O-N 3.41Å; G29-S31 PolarHBondContact O-OG 2.59Å; S31-G33 PolarHBondContact O-N 3.17Å; S31-G33 VanDerWaalsContact O-N 3.07Å; S31-A34 WeakPolarHBondContact O-CB 3.15Å; S31-A34 PolarHBondContact O-N 3.4Å |
| 32 | L | 55 | Low | 56.1 | Low | 147 Ų | 147 | 107.2 Ų | 107.2 | 77% | 0.77 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -17.9 | 177.2 | -156.7 | 66.7 | 0 | 0 | 0 | 111.4 | F30 | F30-L32 VanDerWaalsContact C-N 3.3Å; F30-L32 PolarHBondContact O-N 2.99Å |
| 33 | G | 52.6 | Low | 56 | Low | 82 Ų | 82 | 110.1 Ų | 110.1 | 85% | 0.845 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -7.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | S31 R35 | S31-G33 PolarHBondContact O-N 3.17Å; S31-G33 VanDerWaalsContact O-N 3.07Å; G33-R35 VanDerWaalsContact C-N 3.29Å; G33-R35 PolarHBondContact O-N 3.36Å |
| 34 | A | 51.8 | Low | 56 | Low | 74 Ų | 74 | 111.8 Ų | 111.8 | 61% | 0.612 | 69% | 0.694 | S | S | * | * | | | trans | -90.2 | 20.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S31 S36 | S31-A34 WeakPolarHBondContact O-CB 3.15Å; S31-A34 PolarHBondContact O-N 3.4Å; A34-S36 PolarHBondContact O-N 3.31Å; A34-S36 VanDerWaalsContact O-N 3.17Å |
| 35 | R | 54.2 | Low | 55.8 | Low | 216 Ų | 216 | 110.9 Ų | 110.9 | 82% | 0.815 | 69% | 0.687 | S | S | * | * | | | trans | -76.1 | 13.6 | 178.6 | -69.2 | -178.3 | 66.1 | -136.3 | 0.3 | 114.9 | G33 | G33-R35 VanDerWaalsContact C-N 3.29Å; G33-R35 PolarHBondContact O-N 3.36Å |
| 36 | S | 54.9 | Low | 55.8 | Low | 111 Ų | 111 | 111.4 Ų | 111.4 | 78% | 0.776 | 69% | 0.686 | S | S | * | * | | | trans | -129.8 | 55.6 | -176.8 | -154.9 | 0 | 0 | 0 | 0 | 114.1 | A34 | A34-S36 PolarHBondContact O-N 3.31Å; A34-S36 VanDerWaalsContact O-N 3.17Å |
| 37 | A | 52.2 | Low | 56 | Low | 88 Ų | 88 | 116.3 Ų | 116.3 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | | | trans | -136.9 | 32.2 | 159.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | H39 | A37-H39 PolarHBondContact O-N 3.05Š|
| 38 | S | 56.9 | Low | 56.2 | Low | 101 Ų | 101 | 120 Ų | 120 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | | | trans | -81.2 | 61.5 | 164.7 | 60.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 39 | H | 55.1 | Low | 56.4 | Low | 188 Ų | 188 | 118 Ų | 118 | 87% | 0.87 | 71% | 0.713 | S | S | * | * | | | trans | -138.3 | 50.1 | 166.9 | -83.7 | -87.9 | 0 | 0 | 0 | 110.2 | A37 | A37-H39 PolarHBondContact O-N 3.05Š|
| 40 | A | 55.8 | Low | 56.4 | Low | 88 Ų | 88 | 123.5 Ų | 123.5 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | | | trans | -140.3 | 10.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | S42 | A40-S42 VanDerWaalsContact C-N 3.25Å; A40-S42 PolarHBondContact O-N 3.15Å; A40-S42 VanDerWaalsContact O-N 3.15Å |
| 41 | A | 54.3 | Low | 56.4 | Low | 106 Ų | 106 | 126.3 Ų | 126.3 | 88% | 0.876 | 75% | 0.75 | S | S | * | * | | | trans | -87.2 | 65.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 42 | S | 56.6 | Low | 56.6 | Low | 61 Ų | 61 | 129.7 Ų | 129.7 | 43% | 0.427 | 77% | 0.768 | S | S | . | * | | | trans | -161.8 | 67.2 | 155 | -160.2 | 0 | 0 | 0 | 0 | 111.6 | A40 A45 | A40-S42 VanDerWaalsContact C-N 3.25Å; A40-S42 PolarHBondContact O-N 3.15Å; A40-S42 VanDerWaalsContact O-N 3.15Å; S42-A45 WeakPolarHBondContact OG-CB 2.94Å; S42-A45 PolarHBondContact OG-N 3.35Å |
| 43 | T | 52.9 | Low | 56.8 | Low | 136 Ų | 136 | 126.1 Ų | 126.1 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -69.4 | -13.2 | 158.3 | 12.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 44 | V | 58.3 | Low | 57.2 | Low | 130 Ų | 130 | 133 Ų | 133 | 79% | 0.788 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -90.6 | -26.9 | -179.3 | -176.4 | 0 | 0 | 0 | 0 | 113 | K46 | V44-K46 VanDerWaalsContact C-N 3.32Å; V44-K46 PolarHBondContact O-N 3.02Å |
| 45 | A | 57.3 | Low | 57.6 | Low | 77 Ų | 77 | 135.3 Ų | 135.3 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | 22.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | S42 | S42-A45 WeakPolarHBondContact OG-CB 2.94Å; S42-A45 PolarHBondContact OG-N 3.35Å |
| 46 | K | 57.1 | Low | 57.7 | Low | 181 Ų | 181 | 131.9 Ų | 131.9 | 79% | 0.787 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | -6.7 | 169.8 | -71.6 | -172.6 | 177.4 | 176.1 | 0 | 113.7 | V44 L48 | V44-K46 VanDerWaalsContact C-N 3.32Å; V44-K46 PolarHBondContact O-N 3.02Å; K46-L48 PolarHBondContact O-N 3.48Å |
| 47 | E | 61.3 | Low | 58.1 | Low | 174 Ų | 174 | 131.3 Ų | 131.3 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -103.9 | 58.6 | -179.8 | -161.6 | 176.2 | 167.9 | 0 | 0 | 111.5 | | |
| 48 | L | 61.2 | Low | 58.5 | Low | 167 Ų | 167 | 131.3 Ų | 131.3 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | | | trans | -142.3 | 28.3 | 167.5 | -77.6 | -178.9 | 0 | 0 | 0 | 112.6 | K46 | K46-L48 PolarHBondContact O-N 3.48Š|
| 49 | T | 61.8 | Low | 58.5 | Low | 139 Ų | 139 | 134 Ų | 134 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | | | trans | -129.7 | 35.7 | -180 | -28.7 | 0 | 0 | 0 | 0 | 114 | | |
| 50 | D | 60.7 | Low | 58.8 | Low | 133 Ų | 133 | 130.8 Ų | 130.8 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | | | trans | -137.7 | 102.7 | 160.8 | -171.2 | 40 | 0 | 0 | 0 | 105.9 | | |
| 51 | K | 60 | Low | 59.3 | Low | 176 Ų | 176 | 135 Ų | 135 | 77% | 0.765 | 75% | 0.745 | S | S | * | * | S | Bend | | -169.2 | 83.5 | 79.2 | -76.7 | 147.6 | -173.8 | 169.3 | 0 | 109.2 | | |
| 52 | T | 57.8 | Low | 59.8 | Low | 148 Ų | 148 | 137.3 Ų | 137.3 | 91% | 0.908 | 74% | 0.738 | S | S | * | * | | | trans | -132.7 | 56.2 | 164.6 | -40.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 53 | G | 59.1 | Low | 59.5 | Low | 72 Ų | 72 | 145.8 Ų | 145.8 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | | | trans | -100.7 | 76.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 54 | R | 61.7 | Low | 59.9 | Low | 227 Ų | 227 | 146.3 Ų | 146.3 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | | | trans | 45.6 | 96.1 | 151.6 | -55.2 | -179.4 | -174.1 | 110.9 | 1.3 | 117 | N56 | R54-N56 PolarHBondContact O-N 3.02Š|
| 55 | T | 60.5 | Low | 60 | Low | 123 Ų | 123 | 147.2 Ų | 147.2 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | | | trans | -67 | 118.6 | 156.7 | 46.8 | 0 | 0 | 0 | 0 | 108.9 | L57 | T55-L57 PolarHBondContact O-N 3.08Å; T55-L57 VanDerWaalsContact O-N 3.08Å |
| 56 | N | 56.5 | Low | 60.1 | Low | 144 Ų | 144 | 151.1 Ų | 151.1 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | trans | -70.8 | 99.5 | 174.6 | -88 | -45 | 0 | 0 | 0 | 109.6 | R54 S58 | R54-N56 PolarHBondContact O-N 3.02Å; N56-S58 PolarHBondContact O-N 3.34Å |
| 57 | L | 62.3 | Low | 60.3 | Low | 99 Ų | 99 | 149.3 Ų | 149.3 | 52% | 0.518 | 78% | 0.782 | S | S | . | * | | | trans | -80.2 | 14 | 175.6 | -57.6 | 176.7 | 0 | 0 | 0 | 113.2 | T55 H59 I60 | T55-L57 PolarHBondContact O-N 3.08Å; T55-L57 VanDerWaalsContact O-N 3.08Å; L57-H59 PolarHBondContact O-N 3.02Å; L57-I60 HydrophobicContact CB-CD1 4.29Å; L57-I60 HydrophobicContact CD2-CD1 3.68Å; L57-I60 HydrophobicContact CG-CD1 4.47Å; L57-I60 PolarHBondContact O-N 3.27Å |
| 58 | S | 61.1 | Low | 60.2 | Low | 87 Ų | 87 | 147.8 Ų | 147.8 | 61% | 0.608 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -8.2 | -176.9 | 58.6 | 0 | 0 | 0 | 0 | 114.4 | N56 | N56-S58 PolarHBondContact O-N 3.34Š|
| 59 | H | 57 | Low | 60.2 | Low | 159 Ų | 159 | 146.5 Ų | 146.5 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -15 | 173.9 | -160.6 | 75.1 | 0 | 0 | 0 | 113.6 | L57 F61 | L57-H59 PolarHBondContact O-N 3.02Å; H59-F61 VanDerWaalsContact C-N 3.33Å |
| 60 | I | 62.2 | Low | 60 | Low | 120 Ų | 120 | 147 Ų | 147 | 62% | 0.615 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -20.2 | -177.5 | -59.7 | -176.5 | 0 | 0 | 0 | 111.8 | L57 | L57-I60 HydrophobicContact CB-CD1 4.29Å; L57-I60 HydrophobicContact CD2-CD1 3.68Å; L57-I60 HydrophobicContact CG-CD1 4.47Å; L57-I60 PolarHBondContact O-N 3.27Å |
| 61 | F | 66.3 | Low | 60 | Low | 176 Ų | 176 | 148.1 Ų | 148.1 | 77% | 0.772 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | 22.1 | -176.3 | -66.9 | -79.1 | 0 | 0 | 0 | 114.1 | H59 N63 | H59-F61 VanDerWaalsContact C-N 3.33Å; F61-N63 PolarHBondContact O-N 3.49Å |
| 62 | Q | 64.7 | Low | 60 | Low | 155 Ų | 155 | 145.8 Ų | 145.8 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | | | trans | -95.6 | 94.1 | 167.4 | -64.9 | -151.9 | 36.4 | 0 | 0 | 109.8 | | |
| 63 | N | 50.8 | Low | 60.2 | Low | 239 Ų | 239 | 145.5 Ų | 145.5 | 100% | 1.278 | 76% | 0.761 | S | S | * | * | | | trans | 30.6 | 0 | 155.9 | -115.5 | 62.7 | 0 | 0 | 0 | 119.4 | F61 | F61-N63 PolarHBondContact O-N 3.49Š|