| 1 | M | 54.1 | Low | 61.1 | Low | 242 Ų | 242 | 141.8 Ų | 141.8 | 100% | 1.192 | 77% | 0.77 | S | S | * | * | | | | 0 | 112.6 | 0 | -66.4 | -159.3 | -89.6 | 0 | 0 | 108 | | |
| 2 | S | 63.9 | Low | 61.3 | Low | 121 Ų | 121 | 140.8 Ų | 140.8 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | | | trans | -172.3 | 124.6 | 137.3 | -111.6 | 0 | 0 | 0 | 0 | 106.4 | | |
| 3 | E | 57.7 | Low | 61 | Low | 176 Ų | 176 | 143.8 Ų | 143.8 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | | | trans | -68 | 152.6 | -162 | -69.1 | 133.4 | 107.6 | 0 | 0 | 113.2 | S5 | E3-S5 VanDerWaalsContact C-N 3.3Å; E3-S5 PolarHBondContact O-N 2.84Å |
| 4 | Q | 65.8 | Low | 60.7 | Low | 193 Ų | 193 | 140.2 Ų | 140.2 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | | | trans | -56.9 | 89.5 | 165.2 | -61.8 | 169.3 | -87.8 | 0 | 0 | 109.8 | K6 | Q4-K6 PolarHBondContact O-N 2.78Š|
| 5 | S | 66.6 | Low | 60.7 | Low | 116 Ų | 116 | 136.2 Ų | 136.2 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | | | trans | -87.5 | 56.4 | 160.4 | 56.3 | 0 | 0 | 0 | 0 | 109.5 | E3 D7 | E3-S5 VanDerWaalsContact C-N 3.3Å; E3-S5 PolarHBondContact O-N 2.84Å; S5-D7 PolarHBondContact O-N 2.8Å |
| 6 | K | 59.1 | Low | 60.7 | Low | 169 Ų | 169 | 138.8 Ų | 138.8 | 74% | 0.735 | 76% | 0.763 | S | S | * | * | | | trans | -74.8 | 88.6 | 154 | -168.6 | 160 | -175.7 | 173.5 | 0 | 103.8 | Q4 L8 | Q4-K6 PolarHBondContact O-N 2.78Å; K6-L8 HydrophobicContact CG-CD2 4.25Å; K6-L8 HydrophobicContact CG-CG 4.31Å; K6-L8 PolarHBondContact O-N 3.09Å |
| 7 | D | 59.8 | Low | 60.9 | Low | 140 Ų | 140 | 136.2 Ų | 136.2 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | | | trans | -60 | 86 | 169.6 | -167.6 | -108 | 0 | 0 | 0 | 106.4 | S5 S9 | S5-D7 PolarHBondContact O-N 2.8Å; D7-S9 PolarHBondContact O-N 2.87Å; D7-S9 WeakPolarHBondContact OD1-CB 3.21Å |
| 8 | L | 62.5 | Low | 60.7 | Low | 125 Ų | 125 | 134.8 Ų | 134.8 | 65% | 0.654 | 76% | 0.762 | S | S | * | * | | | trans | -71.4 | 57.4 | 159.7 | -64.2 | 169.6 | 0 | 0 | 0 | 106 | K6 D10 | K6-L8 HydrophobicContact CG-CD2 4.25Å; K6-L8 HydrophobicContact CG-CG 4.31Å; K6-L8 PolarHBondContact O-N 3.09Å; L8-D10 HydrophobicContact CB-CB 4.38Å; L8-D10 PolarHBondContact O-N 2.94Å |
| 9 | S | 62 | Low | 60.6 | Low | 89 Ų | 89 | 135.6 Ų | 135.6 | 62% | 0.622 | 76% | 0.764 | S | S | * | * | | | trans | -67.3 | 71 | 149.7 | -177.3 | 0 | 0 | 0 | 0 | 105.2 | D7 P11 | D7-S9 PolarHBondContact O-N 2.87Å; D7-S9 WeakPolarHBondContact OD1-CB 3.21Å; S9-P11 WeakPolarHBondContact O-CD 3.41Å |
| 10 | D | 60.1 | Low | 60.8 | Low | 76 Ų | 76 | 134.4 Ų | 134.4 | 41% | 0.406 | 77% | 0.765 | S | S | . | * | | | trans | -83.4 | 97.4 | -178.6 | -163.4 | -13.7 | 0 | 0 | 0 | 104 | L8 N12 F13 | L8-D10 HydrophobicContact CB-CB 4.38Å; L8-D10 PolarHBondContact O-N 2.94Å; D10-N12 PolarHBondContact O-N 2.98Å; D10-N12 WeakPolarHBondContact OD1-CB 3.12Å; D10-N12 PolarHBondContact OD1-N 2.71Å; D10-F13 PolarHBondContact O-N 3.02Å |
| 11 | P | 61 | Low | 60.7 | Low | 113 Ų | 113 | 134.8 Ų | 134.8 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -66.6 | -8.7 | -177.2 | -12 | 30.6 | 0 | 0 | 0 | 110.7 | S9 | S9-P11 WeakPolarHBondContact O-CD 3.41Š|
| 12 | N | 62.7 | Low | 61.1 | Low | 130 Ų | 130 | 128.8 Ų | 128.8 | 70% | 0.695 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -80.6 | -13.1 | -176.6 | -164.1 | 47.8 | 0 | 0 | 0 | 113.7 | D10 | D10-N12 PolarHBondContact O-N 2.98Å; D10-N12 WeakPolarHBondContact OD1-CB 3.12Å; D10-N12 PolarHBondContact OD1-N 2.71Å |
| 13 | F | 57.5 | Low | 61.1 | Low | 180 Ų | 180 | 129.8 Ų | 129.8 | 79% | 0.789 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -87.6 | -10 | 179.8 | -131 | -87.4 | 0 | 0 | 0 | 114 | D10 | D10-F13 PolarHBondContact O-N 3.02Š|
| 14 | A | 57.3 | Low | 61.3 | Low | 93 Ų | 93 | 126.6 Ų | 126.6 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -97.2 | -4.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | E16 | A14-E16 PolarHBondContact O-N 3.09Š|
| 15 | A | 60.7 | Low | 61.4 | Low | 80 Ų | 80 | 122.7 Ų | 122.7 | 66% | 0.661 | 72% | 0.719 | S | S | * | * | | | trans | -102.4 | 62.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | A17 | A15-A17 PolarHBondContact O-N 2.86Å; A15-A17 VanDerWaalsContact O-N 3.13Å |
| 16 | E | 60 | Low | 61.2 | Low | 177 Ų | 177 | 123.2 Ų | 123.2 | 83% | 0.827 | 72% | 0.72 | S | S | * | * | | | trans | -48.2 | 117.8 | 159.7 | -76.3 | -176.7 | 81.6 | 0 | 0 | 108.8 | A14 | A14-E16 PolarHBondContact O-N 3.09Š|
| 17 | A | 65.3 | Low | 60.9 | Low | 95 Ų | 95 | 118.7 Ų | 118.7 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | | | trans | -107.9 | 117.2 | 157.9 | 0 | 0 | 0 | 0 | 0 | 107 | A15 | A15-A17 PolarHBondContact O-N 2.86Å; A15-A17 VanDerWaalsContact O-N 3.13Å |
| 18 | P | 56.3 | Low | 60.7 | Low | 111 Ų | 111 | 117.8 Ų | 117.8 | 72% | 0.721 | 72% | 0.721 | S | S | * | * | | | | -146.8 | 106.9 | 125.2 | 32.9 | -14.7 | 0 | 0 | 0 | 111.4 | | |
| 19 | N | 59.5 | Low | 60.4 | Low | 150 Ų | 150 | 117.3 Ų | 117.3 | 80% | 0.802 | 73% | 0.728 | S | S | * | * | | | trans | -136.9 | 93.8 | 141.5 | 54.4 | 78.6 | 0 | 0 | 0 | 108.5 | E21 | N19-E21 PolarHBondContact O-N 2.88Š|
| 20 | S | 65.1 | Low | 60.5 | Low | 112 Ų | 112 | 122.4 Ų | 122.4 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | | | trans | -70.2 | 82.6 | 156 | 61.7 | 0 | 0 | 0 | 0 | 107.3 | V22 | S20-V22 VanDerWaalsContact C-N 3.32Å; S20-V22 PolarHBondContact O-N 3.33Å |
| 21 | E | 58.6 | Low | 60.3 | Low | 143 Ų | 143 | 121.7 Ų | 121.7 | 67% | 0.668 | 75% | 0.752 | S | S | * | * | | | trans | -85.7 | 90.2 | 157.3 | -168.5 | 145.8 | 41.4 | 0 | 0 | 107.9 | N19 H23 | N19-E21 PolarHBondContact O-N 2.88Å; E21-H23 VanDerWaalsContact CG-CE1 3.41Å; E21-H23 WeakPolarHBondContact CG-CE1 3.1Å; E21-H23 PolarHBondContact O-N 2.92Å; E21-H23 IonicContact OE1-CE1 3.46Å; E21-H23 PolarHBondContact OE1-CE1 2.91Å; E21-H23 IonicContact OE1-NE2 3.76Å; E21-H23 IonicContact OE2-CE1 3.97Å |
| 22 | V | 61.6 | Low | 60.4 | Low | 116 Ų | 116 | 122.7 Ų | 122.7 | 70% | 0.703 | 76% | 0.756 | S | S | * | * | | | trans | -68.4 | 87.5 | 166.4 | -176.5 | 0 | 0 | 0 | 0 | 106.4 | S20 S24 | S20-V22 VanDerWaalsContact C-N 3.32Å; S20-V22 PolarHBondContact O-N 3.33Å; V22-S24 PolarHBondContact O-N 3.29Å |
| 23 | H | 63.9 | Low | 60.5 | Low | 142 Ų | 142 | 121.1 Ų | 121.1 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | | | trans | -67.1 | 91.2 | 165.8 | -67.4 | -67.1 | 0 | 0 | 0 | 108.1 | E21 S25 | E21-H23 VanDerWaalsContact CG-CE1 3.41Å; E21-H23 WeakPolarHBondContact CG-CE1 3.1Å; E21-H23 PolarHBondContact O-N 2.92Å; E21-H23 IonicContact OE1-CE1 3.46Å; E21-H23 PolarHBondContact OE1-CE1 2.91Å; E21-H23 IonicContact OE1-NE2 3.76Å; E21-H23 IonicContact OE2-CE1 3.97Å; H23-S25 PolarHBondContact O-N 3.46Å; H23-S25 VanDerWaalsContact O-N 3.09Å |
| 24 | S | 61.2 | Low | 61 | Low | 109 Ų | 109 | 118.3 Ų | 118.3 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | | | trans | -61.1 | 110.5 | 168.9 | -65 | 0 | 0 | 0 | 0 | 108.3 | V22 | V22-S24 PolarHBondContact O-N 3.29Š|
| 25 | S | 67.6 | Low | 61.3 | Low | 110 Ų | 110 | 118.9 Ų | 118.9 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | | | trans | -89.9 | 132.2 | 167.9 | -62.2 | 0 | 0 | 0 | 0 | 108 | H23 | H23-S25 PolarHBondContact O-N 3.46Å; H23-S25 VanDerWaalsContact O-N 3.09Å |
| 26 | P | 63.8 | Low | 61.6 | Low | 128 Ų | 128 | 119.3 Ų | 119.3 | 83% | 0.831 | 75% | 0.754 | S | S | * | * | | | | -152.5 | 131.3 | 106.1 | 33.8 | -15.2 | 0 | 0 | 0 | 113 | | |
| 27 | G | 52.4 | Low | 61.8 | Low | 73 Ų | 73 | 116.8 Ų | 116.8 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | | | trans | -176.2 | 61.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 28 | V | 54.9 | Low | 61.9 | Low | 122 Ų | 122 | 119.9 Ų | 119.9 | 74% | 0.739 | 75% | 0.754 | S | S | * | * | | | trans | 38.6 | 116.6 | 141.6 | -177.2 | 0 | 0 | 0 | 0 | 117.8 | | |
| 29 | S | 57.1 | Low | 62.5 | Low | 115 Ų | 115 | 118.4 Ų | 118.4 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | | | | -151 | 103.2 | 108.7 | -79.6 | 0 | 0 | 0 | 0 | 109.2 | G31 | S29-G31 PolarHBondContact O-N 3.1Å; S29-G31 VanDerWaalsContact O-N 3.09Å |
| 30 | E | 62.8 | Low | 63.2 | Low | 195 Ų | 195 | 119.2 Ų | 119.2 | 91% | 0.911 | 75% | 0.75 | S | S | * | * | | | trans | -52.8 | 110.1 | 158.2 | -66.1 | 179.9 | 109.8 | 0 | 0 | 107.7 | | |
| 31 | G | 57.7 | Low | 63.7 | Low | 61 Ų | 61 | 119.2 Ų | 119.2 | 63% | 0.629 | 75% | 0.747 | S | S | * | * | | | trans | -160.1 | 61.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | S29 P33 | S29-G31 PolarHBondContact O-N 3.1Å; S29-G31 VanDerWaalsContact O-N 3.09Å; G31-P33 WeakPolarHBondContact O-CD 3.07Å |
| 32 | V | 61.7 | Low | 64.7 | Low | 134 Ų | 134 | 121.5 Ų | 121.5 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 116.3 | 161.8 | 110.3 | 0 | 0 | 0 | 0 | 104.7 | | |
| 33 | P | 66.1 | Low | 65.6 | Low | 98 Ų | 98 | 120.4 Ų | 120.4 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 144.3 | 167.8 | 26.4 | -32.2 | 0 | 0 | 0 | 106.5 | G31 S35 | G31-P33 WeakPolarHBondContact O-CD 3.07Å; P33-S35 PolarHBondContact O-N 3.11Å |
| 34 | P | 66.6 | Low | 66.6 | Low | 120 Ų | 120 | 118.8 Ų | 118.8 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 118 | 174.5 | 23.1 | -32.4 | 0 | 0 | 0 | 106.5 | A36 | P34-A36 VanDerWaalsContact C-N 3.28Å; P34-A36 PolarHBondContact O-N 3.11Å |
| 35 | S | 64.6 | Low | 67.5 | Low | 106 Ų | 106 | 119.4 Ų | 119.4 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | | | trans | -61.3 | 103.3 | 179.3 | -160.5 | 0 | 0 | 0 | 0 | 104.6 | P33 T37 | P33-S35 PolarHBondContact O-N 3.11Å; S35-T37 PolarHBondContact O-N 3.01Å |
| 36 | A | 66.6 | Low | 68.1 | Low | 88 Ų | 88 | 122.4 Ų | 122.4 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | trans | -66.2 | 94.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 103.6 | P34 L38 | P34-A36 VanDerWaalsContact C-N 3.28Å; P34-A36 PolarHBondContact O-N 3.11Å; A36-L38 PolarHBondContact O-N 3.13Å |
| 37 | T | 65.2 | Low | 69.1 | Low | 125 Ų | 125 | 118.6 Ų | 118.6 | 77% | 0.767 | 75% | 0.749 | S | S | * | * | | | trans | -59.7 | 87.6 | 161.1 | -55.5 | 0 | 0 | 0 | 0 | 104.5 | S35 A39 | S35-T37 PolarHBondContact O-N 3.01Å; T37-A39 PolarHBondContact O-N 3.45Å |
| 38 | L | 65.6 | Low | 70.4 | Confident | 159 Ų | 159 | 121.6 Ų | 121.6 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | | | trans | -56.5 | 100 | 156.4 | -93.7 | 169.1 | 0 | 0 | 0 | 102.9 | A36 E40 | A36-L38 PolarHBondContact O-N 3.13Å; L38-E40 PolarHBondContact O-N 3.46Å |
| 39 | A | 70.6 | Confident | 71.6 | Confident | 80 Ų | 80 | 122 Ų | 122 | 66% | 0.661 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -47.1 | 119.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 105.4 | T37 P41 | T37-A39 PolarHBondContact O-N 3.45Å; A39-P41 VanDerWaalsContact O-N 3.12Å |
| 40 | E | 72.8 | Confident | 72.6 | Confident | 168 Ų | 168 | 120.8 Ų | 120.8 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 126.1 | -178.6 | -165.6 | 174.6 | 105.9 | 0 | 0 | 106.7 | L38 Q42 | L38-E40 PolarHBondContact O-N 3.46Å; E40-Q42 PolarHBondContact O-N 3.5Å |
| 41 | P | 76.2 | Confident | 73.4 | Confident | 112 Ų | 112 | 115.3 Ų | 115.3 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 118.2 | -177.6 | 18.7 | -29.3 | 0 | 0 | 0 | 107.6 | A39 S43 | A39-P41 VanDerWaalsContact O-N 3.12Å; P41-S43 PolarHBondContact O-N 3.34Å |
| 42 | Q | 80.8 | Confident | 74.5 | Confident | 191 Ų | 191 | 118.6 Ų | 118.6 | 89% | 0.893 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 118.4 | -173.1 | -166.5 | 178.8 | -92.5 | 0 | 0 | 108.1 | E40 | E40-Q42 PolarHBondContact O-N 3.5Š|
| 43 | S | 80.5 | Confident | 75.5 | Confident | 92 Ų | 92 | 121.3 Ų | 121.3 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -59 | 134.4 | -179.4 | -70.9 | 0 | 0 | 0 | 0 | 108.9 | P41 | P41-S43 PolarHBondContact O-N 3.34Š|
| 44 | P | 83.1 | Confident | 76.3 | Confident | 109 Ų | 109 | 121.3 Ų | 121.3 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 150.2 | 173.6 | 24.5 | -32 | 0 | 0 | 0 | 109.4 | L46 | P44-L46 PolarHBondContact O-N 3.48Š|
| 45 | P | 81.1 | Confident | 77.1 | Confident | 121 Ų | 121 | 119.8 Ų | 119.8 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 136.8 | 177.5 | 24.2 | -32.9 | 0 | 0 | 0 | 109.1 | G47 | P45-G47 PolarHBondContact O-N 2.99Š|
| 46 | L | 81.1 | Confident | 78 | Confident | 173 Ų | 173 | 120.1 Ų | 120.1 | 91% | 0.906 | 76% | 0.763 | S | S | * | * | | | trans | -55.9 | 111.3 | 173.6 | -73.5 | 163.4 | 0 | 0 | 0 | 107.5 | P44 | P44-L46 PolarHBondContact O-N 3.48Š|
| 47 | G | 83.9 | Confident | 78.9 | Confident | 48 Ų | 48 | 121.2 Ų | 121.2 | 50% | 0.495 | 76% | 0.763 | S | S | . | * | | | trans | -61.7 | 169.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | P45 T49 | P45-G47 PolarHBondContact O-N 2.99Å; G47-T49 PolarHBondContact O-N 3.32Å |
| 48 | P | 79.3 | Confident | 79.7 | Confident | 137 Ų | 137 | 121.2 Ų | 121.2 | 89% | 0.89 | 77% | 0.765 | S | S | * | * | | | trans | -56.2 | 110.6 | 175.5 | 23.5 | -31.6 | 0 | 0 | 0 | 109.1 | A50 | P48-A50 PolarHBondContact O-N 2.76Å; P48-A50 VanDerWaalsContact O-N 3.11Å |
| 49 | T | 81.4 | Confident | 80.4 | Confident | 129 Ų | 129 | 122.9 Ų | 122.9 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 117.7 | 172.9 | -63.1 | 0 | 0 | 0 | 0 | 107.5 | G47 A51 | G47-T49 PolarHBondContact O-N 3.32Å; T49-A51 PolarHBondContact O-N 3.44Å; T49-A51 VanDerWaalsContact O-N 3.1Å |
| 50 | A | 76.3 | Confident | 80.7 | Confident | 91 Ų | 91 | 122.8 Ų | 122.8 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 120.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | P48 | P48-A50 PolarHBondContact O-N 2.76Å; P48-A50 VanDerWaalsContact O-N 3.11Å |
| 51 | A | 81.1 | Confident | 80.7 | Confident | 79 Ų | 79 | 121.1 Ų | 121.1 | 65% | 0.653 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -60 | 144.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | T49 Q53 | T49-A51 PolarHBondContact O-N 3.44Å; T49-A51 VanDerWaalsContact O-N 3.1Å; A51-Q53 PolarHBondContact O-N 3.49Å; A51-Q53 VanDerWaalsContact O-N 3.11Å |
| 52 | P | 80.5 | Confident | 80.5 | Confident | 130 Ų | 130 | 121.2 Ų | 121.2 | 84% | 0.844 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 123.2 | 171.7 | -23.2 | 32.1 | 0 | 0 | 0 | 109.2 | A54 | P52-A54 PolarHBondContact O-N 2.91Š|
| 53 | Q | 82 | Confident | 79.8 | Confident | 192 Ų | 192 | 117.3 Ų | 117.3 | 90% | 0.897 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 137.4 | 174.4 | -67 | -161.1 | -55.1 | 0 | 0 | 108.7 | A51 A55 | A51-Q53 PolarHBondContact O-N 3.49Å; A51-Q53 VanDerWaalsContact O-N 3.11Å; Q53-A55 PolarHBondContact O-N 2.96Å |
| 54 | A | 83.1 | Confident | 79.2 | Confident | 98 Ų | 98 | 120.3 Ų | 120.3 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 137.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | P52 | P52-A54 PolarHBondContact O-N 2.91Š|
| 55 | A | 84.4 | Confident | 78.8 | Confident | 88 Ų | 88 | 118.1 Ų | 118.1 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 142.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q53 | Q53-A55 PolarHBondContact O-N 2.96Š|
| 56 | P | 82.6 | Confident | 79 | Confident | 112 Ų | 112 | 115.2 Ų | 115.2 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 150.9 | 174.2 | 26.8 | -33.9 | 0 | 0 | 0 | 110.2 | | |
| 57 | P | 85.1 | Confident | 79 | Confident | 112 Ų | 112 | 111.6 Ų | 111.6 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 147.4 | 177.5 | 25.9 | -33.5 | 0 | 0 | 0 | 110.4 | Q59 | P57-Q59 PolarHBondContact O-N 2.7Š|
| 58 | P | 82.7 | Confident | 79.1 | Confident | 125 Ų | 125 | 116.4 Ų | 116.4 | 81% | 0.812 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 133.2 | 176 | 24 | -32.2 | 0 | 0 | 0 | 109.5 | A60 | P58-A60 PolarHBondContact O-N 3.02Š|
| 59 | Q | 79.3 | Confident | 79.3 | Confident | 193 Ų | 193 | 110.6 Ų | 110.6 | 90% | 0.902 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 136 | 175.4 | -70.1 | -176.8 | -79.7 | 0 | 0 | 109.1 | P57 | P57-Q59 PolarHBondContact O-N 2.7Š|
| 60 | A | 77.6 | Confident | 79.4 | Confident | 78 Ų | 78 | 109 Ų | 109 | 65% | 0.645 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 153.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | P58 N62 | P58-A60 PolarHBondContact O-N 3.02Å; A60-N62 PolarHBondContact O-N 3.19Å |
| 61 | P | 72.3 | Confident | 79.8 | Confident | 133 Ų | 133 | 111.6 Ų | 111.6 | 86% | 0.864 | 67% | 0.67 | S | S | * | * | | | trans | -51 | 111.1 | 172.6 | -22.3 | 32.1 | 0 | 0 | 0 | 109.1 | D63 | P61-D63 PolarHBondContact O-N 3.39Š|
| 62 | N | 71.6 | Confident | 80 | Confident | 115 Ų | 115 | 113.6 Ų | 113.6 | 62% | 0.615 | 67% | 0.666 | S | S | * | * | | | trans | -83.6 | 117 | -178.6 | 171.5 | -88.7 | 0 | 0 | 0 | 107.7 | A60 E64 | A60-N62 PolarHBondContact O-N 3.19Å; N62-E64 PolarHBondContact O-N 3.03Å; N62-E64 WeakPolarHBondContact OD1-CB 3.02Å; N62-E64 PolarHBondContact OD1-N 2.74Å |
| 63 | D | 67.2 | Low | 80.1 | Confident | 109 Ų | 109 | 110.1 Ų | 110.1 | 58% | 0.583 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -76.5 | -7.7 | -178.5 | -148.3 | -126.4 | 0 | 0 | 0 | 112 | P61 G65 D66 A69 | P61-D63 PolarHBondContact O-N 3.39Å; D63-G65 PolarHBondContact O-N 3.19Å; D63-G65 VanDerWaalsContact O-N 3.14Å; D63-D66 WeakPolarHBondContact O-CB 3.13Å; D63-D66 PolarHBondContact O-N 2.86Å; D63-A69 HydrophobicContact CB-CB 4.48Å; D63-A69 WeakPolarHBondContact O-CB 3.42Å; D63-A69 WeakPolarHBondContact OD1-CB 3.47Å |
| 64 | E | 67.6 | Low | 80 | Confident | 155 Ų | 155 | 103.5 Ų | 103.5 | 72% | 0.724 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -67.8 | -14.7 | -175.9 | -155 | 156.3 | 60.3 | 0 | 0 | 113.3 | N62 | N62-E64 PolarHBondContact O-N 3.03Å; N62-E64 WeakPolarHBondContact OD1-CB 3.02Å; N62-E64 PolarHBondContact OD1-N 2.74Å |
| 65 | G | 75.1 | Confident | 79.9 | Confident | 62 Ų | 62 | 104.2 Ų | 104.2 | 64% | 0.639 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -101.1 | -3.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D63 | D63-G65 PolarHBondContact O-N 3.19Å; D63-G65 VanDerWaalsContact O-N 3.14Å |
| 66 | D | 85.7 | Confident | 79.5 | Confident | 61 Ų | 61 | 105.4 Ų | 105.4 | 33% | 0.326 | 60% | 0.604 | S | S | . | * | | | trans | -77.7 | 122.4 | -178.4 | -175.6 | -75.5 | 0 | 0 | 0 | 110.1 | D63 K68 A69 L70 | D63-D66 WeakPolarHBondContact O-CB 3.13Å; D63-D66 PolarHBondContact O-N 2.86Å; D66-K68 PolarHBondContact O-N 3Å; D66-K68 VanDerWaalsContact OD1-CA 3.26Å; D66-K68 WeakPolarHBondContact OD1-CA 3.45Å; D66-K68 WeakPolarHBondContact OD1-CB 2.94Å; D66-K68 PolarHBondContact OD1-N 2.95Å; D66-A69 HydrophobicContact CB-CB 3.86Å; D66-A69 WeakPolarHBondContact O-CB 3.35Å; D66-A69 PolarHBondContact O-N 3.15Å; D66-A69 VanDerWaalsContact O-N 3.15Å; D66-A69 PolarHBondContact OD1-N 3.14Å; D66-L70 WeakPolarHBondContact O-CG 3.26Å; D66-L70 PolarHBondContact O-N 3.2Å |
| 67 | P | 81.1 | Confident | 79 | Confident | 97 Ų | 97 | 102 Ų | 102 | 63% | 0.63 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.8 | -24.6 | -175.9 | 25.2 | -33.6 | 0 | 0 | 0 | 113 | Q71 | P67-Q71 WeakPolarHBondContact O-CB 3.36Å; P67-Q71 PolarHBondContact O-N 2.86Å |
| 68 | K | 84.6 | Confident | 77.8 | Confident | 149 Ų | 149 | 104.5 Ų | 104.5 | 65% | 0.648 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -76.7 | -42.4 | 174.6 | -54.1 | -173.9 | -179.7 | -173.2 | 0 | 110.6 | D66 L70 Q71 Q72 | D66-K68 PolarHBondContact O-N 3Å; D66-K68 VanDerWaalsContact OD1-CA 3.26Å; D66-K68 WeakPolarHBondContact OD1-CA 3.45Å; D66-K68 WeakPolarHBondContact OD1-CB 2.94Å; D66-K68 PolarHBondContact OD1-N 2.95Å; K68-L70 VanDerWaalsContact C-N 3.32Å; K68-L70 PolarHBondContact O-N 3.29Å; K68-Q71 PolarHBondContact O-N 3.01Å; K68-Q71 VanDerWaalsContact O-N 3.14Å; K68-Q72 WeakPolarHBondContact O-CG 3.39Å; K68-Q72 PolarHBondContact O-N 3.18Å |
| 69 | A | 83.4 | Confident | 76.8 | Confident | 15 Ų | 15 | 101.7 Ų | 101.7 | 12% | 0.124 | 57% | 0.572 | C | S | . | * | H | α-helix | trans | -59 | -44.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D63 D66 Q71 Q72 A73 | D63-A69 HydrophobicContact CB-CB 4.48Å; D63-A69 WeakPolarHBondContact O-CB 3.42Å; D63-A69 WeakPolarHBondContact OD1-CB 3.47Å; D66-A69 HydrophobicContact CB-CB 3.86Å; D66-A69 WeakPolarHBondContact O-CB 3.35Å; D66-A69 PolarHBondContact O-N 3.15Å; D66-A69 VanDerWaalsContact O-N 3.15Å; D66-A69 PolarHBondContact OD1-N 3.14Å; A69-Q71 VanDerWaalsContact C-N 3.34Å; A69-Q71 PolarHBondContact O-N 3.39Å; A69-Q72 PolarHBondContact O-N 3.44Å; A69-A73 WeakPolarHBondContact O-CB 3.42Å; A69-A73 PolarHBondContact O-N 2.99Å |
| 70 | L | 83.6 | Confident | 75.5 | Confident | 95 Ų | 95 | 98.5 Ų | 98.5 | 50% | 0.497 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.5 | -39.8 | 174.7 | -68.5 | 174.5 | 0 | 0 | 0 | 112.3 | D66 K68 A74 | D66-L70 WeakPolarHBondContact O-CG 3.26Å; D66-L70 PolarHBondContact O-N 3.2Å; K68-L70 VanDerWaalsContact C-N 3.32Å; K68-L70 PolarHBondContact O-N 3.29Å; L70-A74 WeakPolarHBondContact O-CB 3.47Å; L70-A74 PolarHBondContact O-N 2.67Å |
| 71 | Q | 86.1 | Confident | 74.3 | Confident | 146 Ų | 146 | 101.8 Ų | 101.8 | 68% | 0.682 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.5 | -39.2 | 176.4 | -177.6 | 159.2 | 84.3 | 0 | 0 | 112.2 | P67 K68 A69 A74 E75 | P67-Q71 WeakPolarHBondContact O-CB 3.36Å; P67-Q71 PolarHBondContact O-N 2.86Å; K68-Q71 PolarHBondContact O-N 3.01Å; K68-Q71 VanDerWaalsContact O-N 3.14Å; A69-Q71 VanDerWaalsContact C-N 3.34Å; A69-Q71 PolarHBondContact O-N 3.39Å; Q71-A74 PolarHBondContact O-N 3.45Å; Q71-E75 PolarHBondContact O-N 3.14Å |
| 72 | Q | 85.1 | Confident | 73.4 | Confident | 120 Ų | 120 | 99.4 Ų | 99.4 | 56% | 0.561 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -66.8 | -45.4 | 175.6 | -71.6 | -177.1 | -94.6 | 0 | 0 | 111.7 | K68 A69 A74 E75 E76 | K68-Q72 WeakPolarHBondContact O-CG 3.39Å; K68-Q72 PolarHBondContact O-N 3.18Å; A69-Q72 PolarHBondContact O-N 3.44Å; Q72-A74 PolarHBondContact O-N 2.82Å; Q72-E75 WeakPolarHBondContact O-CB 3.39Å; Q72-E75 PolarHBondContact O-N 2.88Å; Q72-E75 VanDerWaalsContact O-N 3.1Å; Q72-E76 WeakPolarHBondContact O-CB 3.38Å; Q72-E76 WeakPolarHBondContact O-CG 3.36Å; Q72-E76 PolarHBondContact O-N 2.88Å |
| 73 | A | 81.5 | Confident | 72.6 | Confident | 57 Ų | 57 | 98.5 Ų | 98.5 | 47% | 0.471 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.1 | -34.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A69 G77 | A69-A73 WeakPolarHBondContact O-CB 3.42Å; A69-A73 PolarHBondContact O-N 2.99Å; A73-G77 PolarHBondContact O-N 3.1Å |
| 74 | A | 81.1 | Confident | 72 | Confident | 54 Ų | 54 | 103.4 Ų | 103.4 | 45% | 0.446 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -69.1 | -38.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L70 Q71 Q72 R78 | L70-A74 WeakPolarHBondContact O-CB 3.47Å; L70-A74 PolarHBondContact O-N 2.67Å; Q71-A74 PolarHBondContact O-N 3.45Å; Q72-A74 PolarHBondContact O-N 2.82Å; A74-R78 WeakPolarHBondContact O-CG 3.45Å; A74-R78 PolarHBondContact O-N 3.01Å; A74-R78 VanDerWaalsContact O-N 3.13Å |
| 75 | E | 79.8 | Confident | 71.2 | Confident | 113 Ų | 113 | 99.3 Ų | 99.3 | 53% | 0.528 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.1 | -47.4 | 175.1 | -166.3 | 95.9 | 97.8 | 0 | 0 | 111.2 | Q71 Q72 R78 A79 | Q71-E75 PolarHBondContact O-N 3.14Å; Q72-E75 WeakPolarHBondContact O-CB 3.39Å; Q72-E75 PolarHBondContact O-N 2.88Å; Q72-E75 VanDerWaalsContact O-N 3.1Å; E75-R78 WeakPolarHBondContact O-CB 3.46Å; E75-R78 PolarHBondContact O-N 3.2Å; E75-R78 IonicContact OE2-CZ 3.81Å; E75-R78 IonicContact OE2-NE 3.91Å; E75-R78 IonicContact OE2-NH2 2.86Å; E75-R78 PolarHBondContact OE2-NH2 3.19Å; E75-A79 PolarHBondContact O-N 3.42Å |
| 76 | E | 76.8 | Confident | 69.6 | Low | 112 Ų | 112 | 102.3 Ų | 102.3 | 52% | 0.523 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63 | -45.7 | 176.4 | -71.5 | 176.2 | 156.6 | 0 | 0 | 110.1 | Q72 R78 A79 H80 | Q72-E76 WeakPolarHBondContact O-CB 3.38Å; Q72-E76 WeakPolarHBondContact O-CG 3.36Å; Q72-E76 PolarHBondContact O-N 2.88Å; E76-R78 PolarHBondContact O-N 2.83Å; E76-A79 WeakPolarHBondContact O-CB 3.47Å; E76-A79 PolarHBondContact O-N 3.31Å; E76-H80 PolarHBondContact O-N 3.03Å; E76-H80 PolarHBondContact O-ND1 2.79Å |
| 77 | G | 71.3 | Confident | 67.4 | Low | 42 Ų | 42 | 102.7 Ų | 102.7 | 43% | 0.433 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -56.6 | -33.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | A73 Q81 | A73-G77 PolarHBondContact O-N 3.1Å; G77-Q81 WeakPolarHBondContact O-CB 3.46Å; G77-Q81 PolarHBondContact O-N 2.99Å |
| 78 | R | 60.9 | Low | 66 | Low | 163 Ų | 163 | 105 Ų | 105 | 62% | 0.615 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -72.1 | -40 | 172 | -78.1 | -162.1 | -65.6 | -123.7 | 1.6 | 113.2 | A74 E75 E76 H80 Q81 A82 | A74-R78 WeakPolarHBondContact O-CG 3.45Å; A74-R78 PolarHBondContact O-N 3.01Å; A74-R78 VanDerWaalsContact O-N 3.13Å; E75-R78 WeakPolarHBondContact O-CB 3.46Å; E75-R78 PolarHBondContact O-N 3.2Å; E75-R78 IonicContact OE2-CZ 3.81Å; E75-R78 IonicContact OE2-NE 3.91Å; E75-R78 IonicContact OE2-NH2 2.86Å; E75-R78 PolarHBondContact OE2-NH2 3.19Å; E76-R78 PolarHBondContact O-N 2.83Å; R78-H80 VanDerWaalsContact C-N 3.3Å; R78-H80 PolarHBondContact O-N 2.91Å; R78-Q81 PolarHBondContact O-N 3.18Å; R78-A82 WeakPolarHBondContact O-CB 3.48Å; R78-A82 PolarHBondContact O-N 2.86Å |
| 79 | A | 60.4 | Low | 63.9 | Low | 67 Ų | 67 | 101 Ų | 101 | 55% | 0.554 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62.8 | -39.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | E75 E76 S83 | E75-A79 PolarHBondContact O-N 3.42Å; E76-A79 WeakPolarHBondContact O-CB 3.47Å; E76-A79 PolarHBondContact O-N 3.31Å; A79-S83 PolarHBondContact O-N 3.13Å |
| 80 | H | 53.2 | Low | 62.4 | Low | 126 Ų | 126 | 112.3 Ų | 112.3 | 58% | 0.583 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -70.7 | -39.9 | 174.2 | -63.9 | 92.6 | 0 | 0 | 0 | 111.5 | E76 R78 A82 S83 W84 | E76-H80 PolarHBondContact O-N 3.03Å; E76-H80 PolarHBondContact O-ND1 2.79Å; R78-H80 VanDerWaalsContact C-N 3.3Å; R78-H80 PolarHBondContact O-N 2.91Å; H80-A82 VanDerWaalsContact C-N 3.32Å; H80-A82 PolarHBondContact O-N 3.31Å; H80-S83 WeakPolarHBondContact O-CB 3.4Å; H80-S83 PolarHBondContact O-N 3.49Å; H80-W84 VanDerWaalsContact O-CD1 3.25Å |
| 81 | Q | 52.9 | Low | 60.3 | Low | 147 Ų | 147 | 113 Ų | 113 | 69% | 0.687 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -66.3 | -32.8 | 175.9 | -156.8 | -163.2 | 89.3 | 0 | 0 | 112.6 | G77 R78 S83 W84 | G77-Q81 WeakPolarHBondContact O-CB 3.46Å; G77-Q81 PolarHBondContact O-N 2.99Å; R78-Q81 PolarHBondContact O-N 3.18Å; Q81-S83 PolarHBondContact O-N 3.48Å; Q81-W84 CarbonylContact O-C 3.57Å; Q81-W84 PolarHBondContact O-N 3.31Å |
| 82 | A | 53.3 | Low | 58.5 | Low | 83 Ų | 83 | 112.1 Ų | 112.1 | 69% | 0.686 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -66.2 | -22.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R78 H80 | R78-A82 WeakPolarHBondContact O-CB 3.48Å; R78-A82 PolarHBondContact O-N 2.86Å; H80-A82 VanDerWaalsContact C-N 3.32Å; H80-A82 PolarHBondContact O-N 3.31Å |
| 83 | S | 53.3 | Low | 56.6 | Low | 95 Ų | 95 | 112.1 Ų | 112.1 | 66% | 0.664 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -81.2 | -18.7 | 174.9 | 180 | 0 | 0 | 0 | 0 | 113.5 | A79 H80 Q81 | A79-S83 PolarHBondContact O-N 3.13Å; H80-S83 WeakPolarHBondContact O-CB 3.4Å; H80-S83 PolarHBondContact O-N 3.49Å; Q81-S83 PolarHBondContact O-N 3.48Å |
| 84 | W | 54.3 | Low | 54.7 | Low | 213 Ų | 213 | 114.7 Ų | 114.7 | 81% | 0.807 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -107.7 | 80.1 | 176.2 | -62.9 | 75.1 | 0 | 0 | 0 | 107.6 | H80 Q81 C86 | H80-W84 VanDerWaalsContact O-CD1 3.25Å; Q81-W84 CarbonylContact O-C 3.57Å; Q81-W84 PolarHBondContact O-N 3.31Å; W84-C86 PolarHBondContact O-N 2.92Å; W84-C86 VanDerWaalsContact O-N 3.13Å |
| 85 | G | 50.9 | Low | 53.4 | Low | 68 Ų | 68 | 118.2 Ų | 118.2 | 70% | 0.701 | 71% | 0.707 | S | S | * | * | | | trans | -48 | 116.2 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 86 | C | 41.5 | Very low | 51.7 | Low | 125 Ų | 125 | 115.8 Ų | 115.8 | 85% | 0.845 | 71% | 0.712 | S | S | * | * | | | trans | -160.1 | 116.3 | 136.4 | -105.7 | 0 | 0 | 0 | 0 | 106.7 | W84 | W84-C86 PolarHBondContact O-N 2.92Å; W84-C86 VanDerWaalsContact O-N 3.13Å |
| 87 | G | 41.3 | Very low | 50.3 | Low | 69 Ų | 69 | 116.9 Ų | 116.9 | 71% | 0.711 | 73% | 0.727 | S | S | * | * | | | trans | -67.8 | -171.3 | -163.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | G89 | G87-G89 PolarHBondContact O-N 3.13Š|
| 88 | P | 51.3 | Low | 49.1 | Very low | 147 Ų | 147 | 121 Ų | 121 | 96% | 0.955 | 75% | 0.747 | S | S | * | * | | | trans | -74.7 | 106.3 | -169.5 | 31.7 | -31.7 | 0 | 0 | 0 | 109.5 | | |
| 89 | G | 40.4 | Very low | 48.2 | Very low | 63 Ų | 63 | 116.5 Ų | 116.5 | 65% | 0.649 | 75% | 0.752 | S | S | * | * | | | trans | -149.3 | 86.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | G87 S91 | G87-G89 PolarHBondContact O-N 3.13Å; G89-S91 PolarHBondContact O-N 3.17Å |
| 90 | R | 51.3 | Low | 48.1 | Very low | 253 Ų | 253 | 118 Ų | 118 | 96% | 0.955 | 76% | 0.758 | S | S | * | * | | | trans | -63.7 | 95.2 | 155.4 | -69.2 | 176.1 | 100.2 | -114.8 | 8.4 | 106.6 | | |
| 91 | S | 39.5 | Very low | 47.5 | Very low | 109 Ų | 109 | 117.2 Ų | 117.2 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | | | trans | -139.6 | 125.9 | 158.3 | -82.2 | 0 | 0 | 0 | 0 | 107.9 | G89 | G89-S91 PolarHBondContact O-N 3.17Š|
| 92 | T | 47.7 | Very low | 47.2 | Very low | 129 Ų | 129 | 115 Ų | 115 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | | | trans | -38.3 | 154.2 | 165.2 | 37.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 93 | P | 46.1 | Very low | 47.2 | Very low | 119 Ų | 119 | 118.9 Ų | 118.9 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | trans | -74 | 136.3 | -160.7 | 31.2 | -34.7 | 0 | 0 | 0 | 111.8 | | |
| 94 | P | 42.2 | Very low | 47.1 | Very low | 112 Ų | 112 | 125.5 Ų | 125.5 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | trans | -86.5 | 115.7 | 145.7 | 30.4 | -23.4 | 0 | 0 | 0 | 107.3 | G96 | P94-G96 PolarHBondContact O-N 2.99Š|
| 95 | S | 52.9 | Low | 46.8 | Very low | 128 Ų | 128 | 120.1 Ų | 120.1 | 90% | 0.895 | 78% | 0.781 | S | S | * | * | | | trans | -35.7 | 110.8 | 153.3 | 49.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 96 | G | 43.6 | Very low | 46.6 | Very low | 62 Ų | 62 | 121.6 Ų | 121.6 | 64% | 0.639 | 78% | 0.781 | S | S | * | * | | | trans | -172.1 | 68.7 | -171 | 0 | 0 | 0 | 0 | 0 | 110.6 | P94 | P94-G96 PolarHBondContact O-N 2.99Š|
| 97 | T | 46.8 | Very low | 46.8 | Very low | 135 Ų | 135 | 121.3 Ų | 121.3 | 83% | 0.828 | 78% | 0.78 | S | S | * | * | | | trans | 21 | 105.9 | 156.9 | 56.5 | 0 | 0 | 0 | 0 | 115.8 | G99 | T97-G99 PolarHBondContact O-N 3.06Š|
| 98 | C | 47.9 | Very low | 46.9 | Very low | 127 Ų | 127 | 131 Ų | 131 | 86% | 0.858 | 80% | 0.803 | S | S | * | * | | | trans | -51.5 | 96 | 154.8 | -173.7 | 0 | 0 | 0 | 0 | 107.9 | S100 | C98-S100 PolarHBondContact O-N 2.92Š|
| 99 | G | 41.8 | Very low | 46.7 | Very low | 69 Ų | 69 | 130.2 Ų | 130.2 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | | | trans | -67.3 | 100.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | T97 | T97-G99 PolarHBondContact O-N 3.06Š|
| 100 | S | 56.8 | Low | 47 | Very low | 100 Ų | 100 | 133.7 Ų | 133.7 | 70% | 0.699 | 80% | 0.803 | S | S | * | * | | | trans | -56 | 161.8 | 171.3 | -56.9 | 0 | 0 | 0 | 0 | 110.6 | C98 | C98-S100 PolarHBondContact O-N 2.92Š|
| 101 | S | 42 | Very low | 46.8 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | | | trans | 82.7 | 137.2 | 163.8 | -20.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 102 | S | 45.2 | Very low | 47.2 | Very low | 100 Ų | 100 | 128.2 Ų | 128.2 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | | | cis | -170 | 139 | 17.5 | -120.2 | 0 | 0 | 0 | 0 | 108.4 | | |
| 103 | L | 54.1 | Low | 47.2 | Very low | 165 Ų | 165 | 128.1 Ų | 128.1 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | | | trans | 4.4 | 116.1 | 135.4 | -63.1 | 158.8 | 0 | 0 | 0 | 116.2 | | |
| 104 | R | 52 | Low | 47.2 | Very low | 233 Ų | 233 | 128.7 Ų | 128.7 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | | | trans | -174 | 92 | 135.1 | -155.2 | 161.1 | -79.5 | -103.1 | 3.4 | 107.8 | | |
| 105 | S | 47.5 | Very low | 47.6 | Very low | 100 Ų | 100 | 129.9 Ų | 129.9 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | | | | 39.3 | 104.9 | 93.4 | -157 | 0 | 0 | 0 | 0 | 114.3 | | |
| 106 | S | 46 | Very low | 47.2 | Very low | 99 Ų | 99 | 130.1 Ų | 130.1 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | | | trans | 75.3 | 140.2 | 137.5 | -53 | 0 | 0 | 0 | 0 | 121.2 | | |
| 107 | S | 46 | Very low | 47.5 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | | | trans | 82.7 | 136 | 147.3 | -56.4 | 0 | 0 | 0 | 0 | 115.9 | | |
| 108 | K | 43.6 | Very low | 47.5 | Very low | 272 Ų | 272 | 135.8 Ų | 135.8 | 100% | 1.183 | 81% | 0.808 | S | S | * | * | | | cis | -157.6 | 0 | 10.8 | -164.1 | 171.7 | 76.7 | -161.8 | 0 | 108 | | |