| 1 | M | 48.2 | Very low | 54 | Low | 225 Ų | 225 | 139.3 Ų | 139.3 | 100% | 1.108 | 83% | 0.832 | S | S | * | * | | | | 0 | 152 | 0 | -64.3 | 70 | 142.6 | 0 | 0 | 107.5 | | |
| 2 | S | 51.5 | Low | 53.7 | Low | 120 Ų | 120 | 141.8 Ų | 141.8 | 84% | 0.839 | 84% | 0.838 | S | S | * | * | | | trans | -136.1 | 105.6 | -178.1 | -53.8 | 0 | 0 | 0 | 0 | 109.3 | P4 | S2-P4 WeakPolarHBondContact O-CD 3.36Š|
| 3 | D | 52.9 | Low | 54 | Low | 157 Ų | 157 | 142.2 Ų | 142.2 | 84% | 0.84 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 123.1 | 176.9 | -61.5 | -60.9 | 0 | 0 | 0 | 110.4 | | |
| 4 | P | 62.7 | Low | 54.1 | Low | 114 Ų | 114 | 138.3 Ų | 138.3 | 74% | 0.74 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 121.6 | 171.2 | 31 | -31.2 | 0 | 0 | 0 | 109.9 | S2 | S2-P4 WeakPolarHBondContact O-CD 3.36Š|
| 5 | A | 59.8 | Low | 54.1 | Low | 98 Ų | 98 | 142.1 Ų | 142.1 | 81% | 0.81 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 139.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | P7 | A5-P7 WeakPolarHBondContact O-CD 3.33Š|
| 6 | V | 61.3 | Low | 54 | Low | 127 Ų | 127 | 141.2 Ų | 141.2 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | | | trans | -102 | 112.5 | 179.7 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | L8 | V6-L8 VanDerWaalsContact C-N 3.34Å; V6-L8 PolarHBondContact O-N 3.47Å |
| 7 | P | 59.8 | Low | 54 | Low | 129 Ų | 129 | 136.8 Ų | 136.8 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | | | trans | -78.9 | 79.8 | 174.6 | -12.4 | 30.5 | 0 | 0 | 0 | 111.2 | A5 G9 | A5-P7 WeakPolarHBondContact O-CD 3.33Å; P7-G9 PolarHBondContact O-N 3.39Å; P7-G9 VanDerWaalsContact O-N 3.09Å |
| 8 | L | 49.7 | Very low | 54.1 | Low | 172 Ų | 172 | 138.6 Ų | 138.6 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | | | trans | -70.9 | 98.8 | 173.7 | 178.8 | 65.4 | 0 | 0 | 0 | 110.3 | V6 | V6-L8 VanDerWaalsContact C-N 3.34Å; V6-L8 PolarHBondContact O-N 3.47Å |
| 9 | G | 46.8 | Very low | 54.2 | Low | 64 Ų | 64 | 137.2 Ų | 137.2 | 66% | 0.66 | 80% | 0.8 | S | S | * | * | | | trans | 162.6 | 75.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | P7 | P7-G9 PolarHBondContact O-N 3.39Å; P7-G9 VanDerWaalsContact O-N 3.09Å |
| 10 | K | 49.1 | Very low | 54.5 | Low | 200 Ų | 200 | 135.7 Ų | 135.7 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | | | trans | -140.6 | 116 | 151.5 | -95.6 | -177.8 | 173.6 | 58.7 | 0 | 109.4 | | |
| 11 | T | 52.3 | Low | 54.5 | Low | 126 Ų | 126 | 133.3 Ų | 133.3 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | | | trans | -79.5 | 135 | 174.9 | 37.6 | 0 | 0 | 0 | 0 | 110.1 | L13 | T11-L13 VanDerWaalsContact C-N 3.29Å; T11-L13 PolarHBondContact O-N 3.31Å |
| 12 | N | 50.5 | Low | 55 | Low | 169 Ų | 169 | 130.7 Ų | 130.7 | 90% | 0.904 | 78% | 0.775 | S | S | * | * | | | trans | -76 | 80.7 | 175.2 | -67 | -63.3 | 0 | 0 | 0 | 110 | | |
| 13 | L | 58 | Low | 55.3 | Low | 147 Ų | 147 | 128.7 Ų | 128.7 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | | | trans | -68.2 | 129.5 | 162.3 | -74.5 | 164.6 | 0 | 0 | 0 | 108 | T11 | T11-L13 VanDerWaalsContact C-N 3.29Å; T11-L13 PolarHBondContact O-N 3.31Å |
| 14 | S | 54.3 | Low | 55.7 | Low | 88 Ų | 88 | 124 Ų | 124 | 62% | 0.615 | 74% | 0.736 | S | S | * | * | | | trans | -71.6 | 137.7 | -164.5 | 58.9 | 0 | 0 | 0 | 0 | 112.9 | D16 | S14-D16 WeakPolarHBondContact CB-OD2 3.27Å; S14-D16 PolarHBondContact O-N 3.12Å; S14-D16 PolarHBondContact OG-OD2 3Å |
| 15 | H | 55 | Low | 55.1 | Low | 195 Ų | 195 | 128.4 Ų | 128.4 | 90% | 0.903 | 74% | 0.739 | S | S | * | * | | | trans | -80.3 | 42.2 | 173.2 | -70 | -62.7 | 0 | 0 | 0 | 111.9 | G17 | H15-G17 PolarHBondContact O-N 3.48Š|
| 16 | D | 51.3 | Low | 54.9 | Low | 128 Ų | 128 | 133 Ų | 133 | 68% | 0.684 | 74% | 0.736 | S | S | * | * | | | trans | -76.7 | 60.4 | 174.2 | -62.5 | -47.4 | 0 | 0 | 0 | 110 | S14 L18 | S14-D16 WeakPolarHBondContact CB-OD2 3.27Å; S14-D16 PolarHBondContact O-N 3.12Å; S14-D16 PolarHBondContact OG-OD2 3Å; D16-L18 PolarHBondContact O-N 3.06Å |
| 17 | G | 55.2 | Low | 54.6 | Low | 67 Ų | 67 | 131.9 Ų | 131.9 | 69% | 0.691 | 72% | 0.718 | S | S | * | * | | | trans | -61.1 | 107.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | H15 N19 | H15-G17 PolarHBondContact O-N 3.48Å; G17-N19 PolarHBondContact O-N 3.3Å |
| 18 | L | 55.1 | Low | 54.3 | Low | 169 Ų | 169 | 130.9 Ų | 130.9 | 89% | 0.885 | 71% | 0.709 | S | S | * | * | | | trans | -53.6 | 105.6 | -177.1 | -66.4 | 172.6 | 0 | 0 | 0 | 110.6 | D16 P20 | D16-L18 PolarHBondContact O-N 3.06Å; L18-P20 VanDerWaalsContact O-CD 3.31Å; L18-P20 WeakPolarHBondContact O-CD 3.44Å |
| 19 | N | 57.1 | Low | 54.7 | Low | 111 Ų | 111 | 128.6 Ų | 128.6 | 59% | 0.594 | 70% | 0.698 | S | S | * | * | | | trans | -67.9 | 116 | -177.6 | -178.3 | -7 | 0 | 0 | 0 | 109.9 | G17 A21 H22 | G17-N19 PolarHBondContact O-N 3.3Å; N19-A21 PolarHBondContact O-N 2.82Å; N19-A21 VanDerWaalsContact OD1-CB 3.26Å; N19-A21 WeakPolarHBondContact OD1-CB 3.35Å; N19-A21 PolarHBondContact OD1-N 3.41Å; N19-H22 PolarHBondContact O-N 3.35Å; N19-H22 VanDerWaalsContact O-N 3.08Å |
| 20 | P | 59 | Low | 55 | Low | 107 Ų | 107 | 128.8 Ų | 128.8 | 70% | 0.695 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -64.4 | -14.3 | -177.5 | 26.5 | -34.8 | 0 | 0 | 0 | 113.4 | L18 H22 V23 | L18-P20 VanDerWaalsContact O-CD 3.31Å; L18-P20 WeakPolarHBondContact O-CD 3.44Å; P20-H22 PolarHBondContact O-N 3.43Å; P20-V23 PolarHBondContact O-N 2.9Å |
| 21 | A | 55.8 | Low | 55.4 | Low | 86 Ų | 86 | 124.5 Ų | 124.5 | 71% | 0.711 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -66.2 | -8.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | N19 | N19-A21 PolarHBondContact O-N 2.82Å; N19-A21 VanDerWaalsContact OD1-CB 3.26Å; N19-A21 WeakPolarHBondContact OD1-CB 3.35Å; N19-A21 PolarHBondContact OD1-N 3.41Å |
| 22 | H | 58.6 | Low | 55.7 | Low | 171 Ų | 171 | 124.5 Ų | 124.5 | 79% | 0.792 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -102.3 | 17.3 | 177.3 | -155 | -72.1 | 0 | 0 | 0 | 113.6 | N19 P20 P24 | N19-H22 PolarHBondContact O-N 3.35Å; N19-H22 VanDerWaalsContact O-N 3.08Å; P20-H22 PolarHBondContact O-N 3.43Å; H22-P24 WeakPolarHBondContact O-CD 3.5Å |
| 23 | V | 56 | Low | 56 | Low | 78 Ų | 78 | 118 Ų | 118 | 47% | 0.473 | 64% | 0.641 | S | S | . | * | | | trans | -82.4 | 115 | 170.3 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | P20 W27 | P20-V23 PolarHBondContact O-N 2.9Å; V23-W27 HydrophobicContact CG1-CB 3.85Å; V23-W27 HydrophobicContact CG1-CG 3.93Å |
| 24 | P | 62.1 | Low | 56 | Low | 59 Ų | 59 | 112 Ų | 112 | 38% | 0.383 | 62% | 0.615 | S | S | . | * | | | trans | -77.8 | 145.1 | -175.2 | 33.5 | -36.3 | 0 | 0 | 0 | 111.6 | H22 W26 W27 | H22-P24 WeakPolarHBondContact O-CD 3.5Å; P24-W26 HydrophobicContact CG-CZ2 4.29Å; P24-W26 PolarHBondContact O-N 2.76Å; P24-W27 VanDerWaalsContact O-CB 3.23Å; P24-W27 WeakPolarHBondContact O-CB 3.27Å; P24-W27 PolarHBondContact O-N 3.33Å |
| 25 | Y | 50.3 | Low | 56 | Low | 205 Ų | 205 | 115.7 Ų | 115.7 | 80% | 0.804 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | -20.3 | -165.6 | -137.7 | -93.9 | 0 | 0 | 0 | 116 | W27 N29 | Y25-W27 VanDerWaalsContact C-N 3.3Å; Y25-W27 PolarHBondContact O-N 3.3Å; Y25-N29 PolarHBondContact O-ND2 3.36Å |
| 26 | W | 54.8 | Low | 55.9 | Low | 195 Ų | 195 | 112.3 Ų | 112.3 | 74% | 0.739 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -19.4 | 175.7 | 56.4 | -83.5 | 0 | 0 | 0 | 113.6 | P24 | P24-W26 HydrophobicContact CG-CZ2 4.29Å; P24-W26 PolarHBondContact O-N 2.76Å |
| 27 | W | 55.9 | Low | 56.1 | Low | 104 Ų | 104 | 108.1 Ų | 108.1 | 39% | 0.394 | 59% | 0.586 | S | S | . | * | G | 310 helix | trans | -68.2 | -34.3 | 177.4 | -165.3 | -92.5 | 0 | 0 | 0 | 112.9 | V23 P24 Y25 N29 N30 L33 | V23-W27 HydrophobicContact CG1-CB 3.85Å; V23-W27 HydrophobicContact CG1-CG 3.93Å; P24-W27 VanDerWaalsContact O-CB 3.23Å; P24-W27 WeakPolarHBondContact O-CB 3.27Å; P24-W27 PolarHBondContact O-N 3.33Å; Y25-W27 VanDerWaalsContact C-N 3.3Å; Y25-W27 PolarHBondContact O-N 3.3Å; W27-N29 PolarHBondContact O-N 2.88Å; W27-N30 PolarHBondContact O-N 2.94Å; W27-L33 HydrophobicContact CD2-CD1 4.21Å; W27-L33 HydrophobicContact CE3-CD1 4.2Å; W27-L33 HydrophobicContact CH2-CD1 3.64Å; W27-L33 HydrophobicContact CH2-CD2 4.19Å; W27-L33 HydrophobicContact CZ2-CD1 3.63Å; W27-L33 HydrophobicContact CZ2-CD2 3.38Å; W27-L33 HydrophobicContact CZ2-CG 4.18Å; W27-L33 HydrophobicContact CZ3-CD1 3.93Å |
| 28 | V | 54.2 | Low | 55.8 | Low | 107 Ų | 107 | 112.8 Ų | 112.8 | 65% | 0.648 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -68.1 | -16.8 | -172.9 | -166.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 29 | N | 56.6 | Low | 55.9 | Low | 125 Ų | 125 | 107.6 Ų | 107.6 | 67% | 0.668 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -108.8 | 13.7 | -172.5 | -62.5 | -80.9 | 0 | 0 | 0 | 113.5 | Y25 W27 P31 | Y25-N29 PolarHBondContact O-ND2 3.36Å; W27-N29 PolarHBondContact O-N 2.88Å; N29-P31 VanDerWaalsContact O-CD 3.31Å; N29-P31 WeakPolarHBondContact O-CD 3.31Å |
| 30 | N | 53.7 | Low | 55.9 | Low | 67 Ų | 67 | 108.4 Ų | 108.4 | 36% | 0.358 | 57% | 0.571 | S | S | . | * | | | trans | -100 | 99.5 | -179.2 | -173 | -11.7 | 0 | 0 | 0 | 111 | W27 T32 L33 G34 | W27-N30 PolarHBondContact O-N 2.94Å; N30-T32 VanDerWaalsContact C-N 3.25Å; N30-T32 PolarHBondContact O-N 3Å; N30-T32 WeakPolarHBondContact OD1-CB 3.29Å; N30-T32 PolarHBondContact OD1-N 3.27Å; N30-T32 PolarHBondContact OD1-OG1 2.8Å; N30-L33 HydrophobicContact CB-CB 4.06Å; N30-L33 PolarHBondContact O-N 2.85Å; N30-G34 PolarHBondContact O-N 3.1Å |
| 31 | P | 57.1 | Low | 55.8 | Low | 111 Ų | 111 | 109.9 Ų | 109.9 | 72% | 0.721 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62 | -34.8 | -176.6 | 25.6 | -34.2 | 0 | 0 | 0 | 112.1 | N29 L33 G34 | N29-P31 VanDerWaalsContact O-CD 3.31Å; N29-P31 WeakPolarHBondContact O-CD 3.31Å; P31-L33 PolarHBondContact O-N 3.24Å; P31-L33 VanDerWaalsContact O-N 3.14Å; P31-G34 PolarHBondContact O-N 2.97Å; P31-G34 VanDerWaalsContact O-N 3.11Å |
| 32 | T | 59.6 | Low | 55.8 | Low | 126 Ų | 126 | 108.6 Ų | 108.6 | 77% | 0.773 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67.5 | -9.9 | 177.9 | -15.3 | 0 | 0 | 0 | 0 | 113.7 | N30 | N30-T32 VanDerWaalsContact C-N 3.25Å; N30-T32 PolarHBondContact O-N 3Å; N30-T32 WeakPolarHBondContact OD1-CB 3.29Å; N30-T32 PolarHBondContact OD1-N 3.27Å; N30-T32 PolarHBondContact OD1-OG1 2.8Å |
| 33 | L | 56.7 | Low | 55.4 | Low | 31 Ų | 31 | 111.1 Ų | 111.1 | 16% | 0.162 | 57% | 0.569 | C | S | . | * | H | α-helix | trans | -108.6 | -14.3 | 175.8 | -138.2 | 156.3 | 0 | 0 | 0 | 112.1 | W27 N30 P31 E35 F36 C37 | W27-L33 HydrophobicContact CD2-CD1 4.21Å; W27-L33 HydrophobicContact CE3-CD1 4.2Å; W27-L33 HydrophobicContact CH2-CD1 3.64Å; W27-L33 HydrophobicContact CH2-CD2 4.19Å; W27-L33 HydrophobicContact CZ2-CD1 3.63Å; W27-L33 HydrophobicContact CZ2-CD2 3.38Å; W27-L33 HydrophobicContact CZ2-CG 4.18Å; W27-L33 HydrophobicContact CZ3-CD1 3.93Å; N30-L33 HydrophobicContact CB-CB 4.06Å; N30-L33 PolarHBondContact O-N 2.85Å; P31-L33 PolarHBondContact O-N 3.24Å; P31-L33 VanDerWaalsContact O-N 3.14Å; L33-E35 VanDerWaalsContact C-N 3.31Å; L33-E35 PolarHBondContact O-N 3.42Å; L33-F36 HydrophobicContact CD2-CB 4.16Å; L33-F36 HydrophobicContact CD2-CD1 4.04Å; L33-F36 WeakPolarHBondContact O-CB 3.05Å; L33-F36 PolarHBondContact O-N 2.72Å; L33-F36 VanDerWaalsContact O-N 3.09Å; L33-C37 PolarHBondContact O-N 2.96Å |
| 34 | G | 58.5 | Low | 55.2 | Low | 22 Ų | 22 | 110.7 Ų | 110.7 | 23% | 0.227 | 57% | 0.574 | C | S | . | * | H | α-helix | trans | -53.2 | -47.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N30 P31 F36 C37 F38 | N30-G34 PolarHBondContact O-N 3.1Å; P31-G34 PolarHBondContact O-N 2.97Å; P31-G34 VanDerWaalsContact O-N 3.11Å; G34-F36 VanDerWaalsContact C-N 3.3Å; G34-F36 PolarHBondContact O-N 3.28Å; G34-C37 PolarHBondContact O-N 2.86Å; G34-F38 WeakPolarHBondContact O-CD2 3.5Å; G34-F38 PolarHBondContact O-N 2.91Å |
| 35 | E | 53.9 | Low | 54.6 | Low | 165 Ų | 165 | 115 Ų | 115 | 77% | 0.771 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62.9 | -33.3 | 178.5 | -62 | -169.8 | -171.6 | 0 | 0 | 113.3 | L33 A39 | L33-E35 VanDerWaalsContact C-N 3.31Å; L33-E35 PolarHBondContact O-N 3.42Å; E35-A39 VanDerWaalsContact O-CB 3.22Å; E35-A39 WeakPolarHBondContact O-CB 3.22Å; E35-A39 PolarHBondContact O-N 3.32Å |
| 36 | F | 52 | Low | 54.8 | Low | 125 Ų | 125 | 113.4 Ų | 113.4 | 55% | 0.548 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -70.5 | -40.5 | 175.5 | -169.5 | -104.6 | 0 | 0 | 0 | 111.4 | L33 G34 M40 | L33-F36 HydrophobicContact CD2-CB 4.16Å; L33-F36 HydrophobicContact CD2-CD1 4.04Å; L33-F36 WeakPolarHBondContact O-CB 3.05Å; L33-F36 PolarHBondContact O-N 2.72Å; L33-F36 VanDerWaalsContact O-N 3.09Å; G34-F36 VanDerWaalsContact C-N 3.3Å; G34-F36 PolarHBondContact O-N 3.28Å; F36-M40 HydrophobicContact CD1-CE 4.17Å; F36-M40 HydrophobicContact CE1-CE 3.41Å; F36-M40 VanDerWaalsContact CE1-CE 3.41Å; F36-M40 HydrophobicContact CE2-CE 4.47Å; F36-M40 HydrophobicContact CZ-CE 3.6Å; F36-M40 VanDerWaalsContact O-CB 3.25Å; F36-M40 WeakPolarHBondContact O-CB 3.23Å; F36-M40 PolarHBondContact O-N 3.13Å |
| 37 | C | 55.3 | Low | 54.8 | Low | 40 Ų | 40 | 113.4 Ų | 113.4 | 27% | 0.27 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.7 | -43 | 173.1 | -73 | 0 | 0 | 0 | 0 | 112.4 | L33 G34 M40 I41 | L33-C37 PolarHBondContact O-N 2.96Å; G34-C37 PolarHBondContact O-N 2.86Å; C37-M40 PolarHBondContact O-N 3Å; C37-I41 WeakPolarHBondContact O-CB 3.35Å; C37-I41 WeakPolarHBondContact O-CG1 3.45Å; C37-I41 PolarHBondContact O-N 3.2Å |
| 38 | F | 50.7 | Low | 54.5 | Low | 164 Ų | 164 | 111.7 Ų | 111.7 | 72% | 0.719 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -66.1 | -36.8 | 175.8 | -71.3 | -58.5 | 0 | 0 | 0 | 112.4 | G34 G42 | G34-F38 WeakPolarHBondContact O-CD2 3.5Å; G34-F38 PolarHBondContact O-N 2.91Å; F38-G42 VanDerWaalsContact O-CA 3.29Å; F38-G42 WeakPolarHBondContact O-CA 3.49Å; F38-G42 PolarHBondContact O-N 2.8Å |
| 39 | A | 56.1 | Low | 54.1 | Low | 60 Ų | 60 | 112.2 Ų | 112.2 | 50% | 0.496 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -66.3 | -36.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | E35 | E35-A39 VanDerWaalsContact O-CB 3.22Å; E35-A39 WeakPolarHBondContact O-CB 3.22Å; E35-A39 PolarHBondContact O-N 3.32Å |
| 40 | M | 58.2 | Low | 54.1 | Low | 128 Ų | 128 | 115.2 Ų | 115.2 | 63% | 0.631 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -80.2 | -31.3 | -178 | -171.4 | 171.5 | -69.1 | 0 | 0 | 113.6 | F36 C37 | F36-M40 HydrophobicContact CD1-CE 4.17Å; F36-M40 HydrophobicContact CE1-CE 3.41Å; F36-M40 VanDerWaalsContact CE1-CE 3.41Å; F36-M40 HydrophobicContact CE2-CE 4.47Å; F36-M40 HydrophobicContact CZ-CE 3.6Å; F36-M40 VanDerWaalsContact O-CB 3.25Å; F36-M40 WeakPolarHBondContact O-CB 3.23Å; F36-M40 PolarHBondContact O-N 3.13Å; C37-M40 PolarHBondContact O-N 3Å |
| 41 | I | 56 | Low | 54.1 | Low | 138 Ų | 138 | 117 Ų | 117 | 71% | 0.708 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -96.3 | -25.9 | -179.1 | -65.8 | 161 | 0 | 0 | 0 | 111.7 | C37 | C37-I41 WeakPolarHBondContact O-CB 3.35Å; C37-I41 WeakPolarHBondContact O-CG1 3.45Å; C37-I41 PolarHBondContact O-N 3.2Å |
| 42 | G | 55.4 | Low | 54.1 | Low | 60 Ų | 60 | 119 Ų | 119 | 62% | 0.619 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | 10.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | F38 | F38-G42 VanDerWaalsContact O-CA 3.29Å; F38-G42 WeakPolarHBondContact O-CA 3.49Å; F38-G42 PolarHBondContact O-N 2.8Å |
| 43 | R | 50.2 | Low | 54 | Low | 223 Ų | 223 | 119.1 Ų | 119.1 | 84% | 0.842 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.1 | 12.8 | -179.9 | -67.3 | -151.9 | -168.4 | -155.6 | 8.9 | 116 | D45 | R43-D45 PolarHBondContact O-N 2.95Å; R43-D45 VanDerWaalsContact O-N 3.16Å |
| 44 | A | 51.1 | Low | 53.8 | Low | 70 Ų | 70 | 121.5 Ų | 121.5 | 58% | 0.579 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -78.4 | 98.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I46 | A44-I46 PolarHBondContact O-N 2.85Š|
| 45 | D | 51 | Low | 53 | Low | 149 Ų | 149 | 130.2 Ų | 130.2 | 80% | 0.797 | 72% | 0.72 | S | S | * | * | S | Bend | trans | 58.2 | 38.1 | 143 | -49.3 | -22.7 | 0 | 0 | 0 | 119.2 | R43 | R43-D45 PolarHBondContact O-N 2.95Å; R43-D45 VanDerWaalsContact O-N 3.16Å |
| 46 | I | 53.3 | Low | 53.2 | Low | 172 Ų | 172 | 125.3 Ų | 125.3 | 88% | 0.882 | 71% | 0.714 | S | S | * | * | | | trans | -92 | 13.7 | 167.4 | 56.1 | 172.8 | 0 | 0 | 0 | 114.4 | A44 | A44-I46 PolarHBondContact O-N 2.85Š|
| 47 | E | 55.8 | Low | 53.2 | Low | 194 Ų | 194 | 124 Ų | 124 | 91% | 0.907 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -123.1 | 105.3 | 176.9 | -172.5 | 171.8 | -170.7 | 0 | 0 | 111.3 | | |
| 48 | G | 50.1 | Low | 53 | Low | 68 Ų | 68 | 133.3 Ų | 133.3 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | | | trans | 131 | -11.3 | 160 | 0 | 0 | 0 | 0 | 0 | 119.2 | K50 | G48-K50 VanDerWaalsContact C-N 3.29Å; G48-K50 PolarHBondContact O-N 3.18Å |
| 49 | S | 45.9 | Very low | 53.3 | Low | 118 Ų | 118 | 132 Ų | 132 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | | | trans | -73.8 | 73 | -176.4 | 44.4 | 0 | 0 | 0 | 0 | 113.7 | S51 | S49-S51 PolarHBondContact O-N 2.9Š|
| 50 | K | 55.4 | Low | 53.2 | Low | 188 Ų | 188 | 134.8 Ų | 134.8 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | | | trans | -78.9 | 117.8 | -168 | -167.5 | 175.9 | -175.9 | 176.2 | 0 | 114 | G48 | G48-K50 VanDerWaalsContact C-N 3.29Å; G48-K50 PolarHBondContact O-N 3.18Å |
| 51 | S | 54.5 | Low | 52.6 | Low | 106 Ų | 106 | 137.9 Ų | 137.9 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | | | trans | 72.7 | 136.9 | 152.7 | 67.6 | 0 | 0 | 0 | 0 | 121.4 | S49 | S49-S51 PolarHBondContact O-N 2.9Š|
| 52 | N | 57.2 | Low | 51.9 | Low | 151 Ų | 151 | 135.7 Ų | 135.7 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | | | trans | 66.1 | 88.8 | 150.1 | -170.6 | 31.4 | 0 | 0 | 0 | 119.9 | | |
| 53 | V | 55.9 | Low | 51.9 | Low | 130 Ų | 130 | 138.1 Ų | 138.1 | 79% | 0.788 | 79% | 0.791 | S | S | * | * | S | Bend | | -167.1 | 161.8 | 123.1 | 133.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 54 | A | 54.2 | Low | 51.6 | Low | 81 Ų | 81 | 138.2 Ų | 138.2 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | | | trans | 68.1 | 54.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | G56 | A54-G56 PolarHBondContact O-N 3.11Å; A54-G56 VanDerWaalsContact O-N 3.11Å |
| 55 | M | 41.3 | Very low | 52.3 | Low | 204 Ų | 204 | 140.7 Ų | 140.7 | 100% | 1.005 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | 108.9 | 149.3 | -76.5 | -85.3 | -76.5 | 0 | 0 | 109.2 | | |
| 56 | G | 58.5 | Low | 52.6 | Low | 63 Ų | 63 | 139.3 Ų | 139.3 | 65% | 0.649 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 152.1 | -12.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | A54 W58 | A54-G56 PolarHBondContact O-N 3.11Å; A54-G56 VanDerWaalsContact O-N 3.11Å; G56-W58 VanDerWaalsContact O-CD1 3.3Å |
| 57 | A | 51 | Low | 52.6 | Low | 96 Ų | 96 | 134.2 Ų | 134.2 | 79% | 0.793 | 79% | 0.794 | S | S | * | * | | | trans | -81.6 | 116.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 58 | W | 50.8 | Low | 52.5 | Low | 236 Ų | 236 | 131.6 Ų | 131.6 | 89% | 0.894 | 79% | 0.786 | S | S | * | * | | | trans | -71.7 | 129.9 | -167.9 | -74.2 | 53.4 | 0 | 0 | 0 | 113.7 | G56 | G56-W58 VanDerWaalsContact O-CD1 3.3Š|
| 59 | L | 57.1 | Low | 52.1 | Low | 137 Ų | 137 | 137.8 Ų | 137.8 | 72% | 0.717 | 79% | 0.794 | S | S | * | * | | | trans | 35.6 | 109.3 | 153.3 | -74.3 | 164.4 | 0 | 0 | 0 | 119.1 | Q61 | L59-Q61 PolarHBondContact O-N 3.14Š|
| 60 | P | 54.1 | Low | 52.4 | Low | 118 Ų | 118 | 136.5 Ų | 136.5 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | | | trans | -64.7 | 127.1 | 154.3 | 29.1 | -32.6 | 0 | 0 | 0 | 109.6 | A62 | P60-A62 VanDerWaalsContact C-N 3.32Å; P60-A62 PolarHBondContact O-N 3.26Å |
| 61 | Q | 45.9 | Very low | 51.7 | Low | 194 Ų | 194 | 134 Ų | 134 | 91% | 0.907 | 78% | 0.781 | S | S | * | * | | | trans | -76 | 78.1 | -178.4 | -69.7 | -172.8 | -8.6 | 0 | 0 | 112.2 | L59 | L59-Q61 PolarHBondContact O-N 3.14Š|
| 62 | A | 41.1 | Very low | 50.8 | Low | 91 Ų | 91 | 135.1 Ų | 135.1 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | | | trans | -103.2 | 68.3 | 172 | 0 | 0 | 0 | 0 | 0 | 111 | P60 | P60-A62 VanDerWaalsContact C-N 3.32Å; P60-A62 PolarHBondContact O-N 3.26Å |
| 63 | S | 56.6 | Low | 50.2 | Low | 111 Ų | 111 | 133.2 Ų | 133.2 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | trans | -115.3 | 89.1 | -177.8 | -60.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 64 | Y | 43 | Very low | 49.3 | Very low | 226 Ų | 226 | 132.6 Ų | 132.6 | 89% | 0.886 | 78% | 0.782 | S | S | * | * | | | trans | -64.9 | 132.7 | 168.3 | -96.1 | -96.8 | 0 | 0 | 0 | 110.1 | C66 | Y64-C66 PolarHBondContact O-N 3.28Š|
| 65 | P | 65.4 | Low | 49 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | | | trans | -70.3 | 113.2 | 176.5 | 28 | -33 | 0 | 0 | 0 | 110.2 | G67 | P65-G67 PolarHBondContact O-N 3.37Š|
| 66 | C | 56.7 | Low | 49.1 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | -70.9 | 109.7 | 172.8 | -171.6 | 0 | 0 | 0 | 0 | 109.6 | Y64 N68 | Y64-C66 PolarHBondContact O-N 3.28Å; C66-N68 PolarHBondContact O-N 3.12Å; C66-N68 VanDerWaalsContact O-N 3.13Å |
| 67 | G | 54.2 | Low | 48.5 | Very low | 64 Ų | 64 | 136.8 Ų | 136.8 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | | | trans | -71.2 | 101.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | P65 | P65-G67 PolarHBondContact O-N 3.37Š|
| 68 | N | 54.5 | Low | 48.2 | Very low | 139 Ų | 139 | 136.8 Ų | 136.8 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | | | trans | -82.3 | 128.1 | -175.3 | -161 | 42 | 0 | 0 | 0 | 111.6 | C66 | C66-N68 PolarHBondContact O-N 3.12Å; C66-N68 VanDerWaalsContact O-N 3.13Å |
| 69 | F | 40.4 | Very low | 48.1 | Very low | 199 Ų | 199 | 135.1 Ų | 135.1 | 87% | 0.873 | 78% | 0.783 | S | S | * | * | | | trans | -88.5 | 108.1 | 177.6 | -73.5 | -87.2 | 0 | 0 | 0 | 111.1 | | |
| 70 | S | 52.3 | Low | 47.5 | Very low | 91 Ų | 91 | 133.9 Ų | 133.9 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | | | trans | -162.8 | 143.2 | 171 | -44.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 71 | D | 41.6 | Very low | 47.3 | Very low | 136 Ų | 136 | 138.4 Ų | 138.4 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | cis | -156.3 | 172 | -20.6 | -137.2 | -55.6 | 0 | 0 | 0 | 110 | | |
| 72 | T | 34.6 | Very low | 47.2 | Very low | 128 Ų | 128 | 132.9 Ų | 132.9 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | trans | -16.3 | 125.6 | 173.1 | 39.8 | 0 | 0 | 0 | 0 | 119.8 | | |
| 73 | S | 44.6 | Very low | 47.6 | Very low | 112 Ų | 112 | 134 Ų | 134 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | | | | -159.2 | 133.6 | 127.8 | 44.9 | 0 | 0 | 0 | 0 | 112 | | |
| 74 | C | 38.1 | Very low | 47.3 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | | | trans | -92.3 | 125 | 171.5 | 172.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 75 | I | 46.5 | Very low | 47.6 | Very low | 162 Ų | 162 | 129.2 Ų | 129.2 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | | | trans | -128.5 | 100.4 | 162.9 | -63.4 | -175.5 | 0 | 0 | 0 | 108.3 | | |
| 76 | E | 43.4 | Very low | 46.7 | Very low | 164 Ų | 164 | 132.2 Ų | 132.2 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | | | trans | -77 | -176.6 | 165.4 | -155.9 | 179.8 | -162.6 | 0 | 0 | 110.2 | | |
| 77 | S | 47.7 | Very low | 45.9 | Very low | 109 Ų | 109 | 130 Ų | 130 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | | | trans | 74 | 96.7 | 165.7 | -64 | 0 | 0 | 0 | 0 | 117.9 | K79 | S77-K79 PolarHBondContact O-N 3.28Š|
| 78 | A | 43.9 | Very low | 45.4 | Very low | 97 Ų | 97 | 136.1 Ų | 136.1 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | | | trans | -34.6 | 126.5 | 159.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 79 | K | 49.3 | Very low | 44.8 | Very low | 201 Ų | 201 | 134.1 Ų | 134.1 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | | | | -165 | 139.6 | 128.1 | -102.2 | 146 | -170.8 | 170.7 | 0 | 112.9 | S77 | S77-K79 PolarHBondContact O-N 3.28Š|
| 80 | S | 43 | Very low | 45.1 | Very low | 111 Ų | 111 | 130.2 Ų | 130.2 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | -7.2 | 141.6 | 162 | 58.1 | 0 | 0 | 0 | 0 | 120.4 | | |
| 81 | K | 50.6 | Low | 45.1 | Very low | 212 Ų | 212 | 130.7 Ų | 130.7 | 92% | 0.922 | 79% | 0.787 | S | S | * | * | | | | 135 | 110.8 | 119.5 | -169.4 | 177.6 | -173.5 | -179.7 | 0 | 112.9 | | |
| 82 | G | 43.1 | Very low | 45.1 | Very low | 79 Ų | 79 | 130.7 Ų | 130.7 | 81% | 0.814 | 79% | 0.786 | S | S | * | * | | | trans | 153.7 | 80.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 83 | S | 50.7 | Low | 45.8 | Very low | 113 Ų | 113 | 136 Ų | 136 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | | | trans | -80.5 | 172 | 156.2 | 55.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 84 | I | 50.2 | Low | 45.9 | Very low | 168 Ų | 168 | 134.2 Ų | 134.2 | 86% | 0.862 | 78% | 0.776 | S | S | * | * | | | cis | -156.3 | 149.4 | 22.3 | -152.7 | 155.8 | 0 | 0 | 0 | 109.8 | | |
| 85 | G | 48.2 | Very low | 46.1 | Very low | 69 Ų | 69 | 131.9 Ų | 131.9 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | | | trans | 173.7 | 78.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | A87 | G85-A87 PolarHBondContact O-N 3.46Š|
| 86 | H | 47.8 | Very low | 46.1 | Very low | 184 Ų | 184 | 131 Ų | 131 | 85% | 0.852 | 77% | 0.769 | S | S | * | * | | | trans | 26.1 | 81.6 | 160.9 | -146.9 | 83.8 | 0 | 0 | 0 | 115.9 | | |
| 87 | A | 40.1 | Very low | 46 | Very low | 74 Ų | 74 | 132.3 Ų | 132.3 | 61% | 0.612 | 77% | 0.774 | S | S | * | * | | | | 44.5 | 117.2 | 90.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G85 | G85-A87 PolarHBondContact O-N 3.46Š|
| 88 | F | 41.9 | Very low | 45.9 | Very low | 193 Ų | 193 | 132 Ų | 132 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | | | cis | -131.3 | 146.8 | 49.5 | 42.7 | -90.1 | 0 | 0 | 0 | 113.6 | | |
| 89 | A | 43.7 | Very low | 45.6 | Very low | 97 Ų | 97 | 136.7 Ų | 136.7 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | | | trans | -108.1 | 129.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 90 | V | 45.1 | Very low | 45.2 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 72% | 0.715 | 77% | 0.765 | S | S | * | * | | | trans | -112.9 | 91.7 | 171.7 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | I92 | V90-I92 HydrophobicContact CG1-CD1 4.49Å; V90-I92 HydrophobicContact CG1-CG1 4Å; V90-I92 PolarHBondContact O-N 2.88Å |
| 91 | S | 52 | Low | 45.4 | Very low | 101 Ų | 101 | 131.3 Ų | 131.3 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | | | trans | -90.2 | 89 | 179.8 | 57.2 | 0 | 0 | 0 | 0 | 111.1 | R93 | S91-R93 VanDerWaalsContact C-N 3.3Å; S91-R93 PolarHBondContact O-N 3.17Å |
| 92 | I | 42.3 | Very low | 45.2 | Very low | 136 Ų | 136 | 130.4 Ų | 130.4 | 70% | 0.697 | 76% | 0.76 | S | S | * | * | | | trans | -72.6 | 84.7 | 175.7 | -53.9 | -176.1 | 0 | 0 | 0 | 109.6 | V90 T94 | V90-I92 HydrophobicContact CG1-CD1 4.49Å; V90-I92 HydrophobicContact CG1-CG1 4Å; V90-I92 PolarHBondContact O-N 2.88Å; I92-T94 VanDerWaalsContact C-N 3.27Å; I92-T94 WeakPolarHBondContact CG2-OG1 3.4Å; I92-T94 PolarHBondContact O-N 2.84Å |
| 93 | R | 49.2 | Very low | 45.2 | Very low | 240 Ų | 240 | 130.2 Ų | 130.2 | 91% | 0.906 | 75% | 0.745 | S | S | * | * | | | trans | -78.1 | 72.6 | 170.1 | -81.9 | -174.4 | 160.1 | -159.7 | -3.7 | 110.8 | S91 | S91-R93 VanDerWaalsContact C-N 3.3Å; S91-R93 PolarHBondContact O-N 3.17Å |
| 94 | T | 46.1 | Very low | 45.4 | Very low | 74 Ų | 74 | 130.2 Ų | 130.2 | 45% | 0.454 | 74% | 0.742 | S | S | . | * | | | trans | -112.4 | 66.9 | 172.4 | -44.7 | 0 | 0 | 0 | 0 | 110.3 | I92 N98 | I92-T94 VanDerWaalsContact C-N 3.27Å; I92-T94 WeakPolarHBondContact CG2-OG1 3.4Å; I92-T94 PolarHBondContact O-N 2.84Å; T94-N98 WeakPolarHBondContact CB-ND2 3.26Å; T94-N98 VanDerWaalsContact CG2-ND2 3.27Å; T94-N98 WeakPolarHBondContact CG2-ND2 3.31Å; T94-N98 WeakPolarHBondContact O-CB 3.25Å; T94-N98 PolarHBondContact O-ND2 3.19Å |
| 95 | G | 43.5 | Very low | 45.5 | Very low | 68 Ų | 68 | 131.1 Ų | 131.1 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | | | trans | -63.8 | 147.6 | 159 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 96 | N | 45.3 | Very low | 45.5 | Very low | 144 Ų | 144 | 130.6 Ų | 130.6 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 74.2 | 132.1 | -160 | -159.4 | 1.9 | 0 | 0 | 0 | 112.8 | N98 | N96-N98 PolarHBondContact O-N 3.34Å; N96-N98 VanDerWaalsContact O-N 3.12Å; N96-N98 PolarHBondContact O-ND2 3.34Å |
| 97 | Q | 42.9 | Very low | 45.4 | Very low | 190 Ų | 190 | 128.4 Ų | 128.4 | 89% | 0.888 | 73% | 0.731 | S | S | * | * | S | Bend | trans | 51.8 | 18.7 | -171.6 | -61.6 | -160.5 | -16.9 | 0 | 0 | 118.2 | | |
| 98 | N | 45.2 | Very low | 46 | Very low | 103 Ų | 103 | 127.3 Ų | 127.3 | 55% | 0.551 | 73% | 0.727 | S | S | * | * | | | trans | -130.4 | 92.7 | 167.6 | -66.2 | -97.4 | 0 | 0 | 0 | 110.7 | T94 N96 | T94-N98 WeakPolarHBondContact CB-ND2 3.26Å; T94-N98 VanDerWaalsContact CG2-ND2 3.27Å; T94-N98 WeakPolarHBondContact CG2-ND2 3.31Å; T94-N98 WeakPolarHBondContact O-CB 3.25Å; T94-N98 PolarHBondContact O-ND2 3.19Å; N96-N98 PolarHBondContact O-N 3.34Å; N96-N98 VanDerWaalsContact O-N 3.12Å; N96-N98 PolarHBondContact O-ND2 3.34Å |
| 99 | Q | 37.6 | Very low | 46 | Very low | 196 Ų | 196 | 126.6 Ų | 126.6 | 92% | 0.916 | 73% | 0.727 | S | S | * | * | | | trans | -148 | 60 | 172.4 | -74 | -157.6 | 103.4 | 0 | 0 | 113.3 | | |
| 100 | V | 40 | Very low | 45.9 | Very low | 126 Ų | 126 | 128.4 Ų | 128.4 | 76% | 0.764 | 72% | 0.721 | S | S | * | * | | | trans | -131.4 | 120.7 | 144.7 | 178.2 | 0 | 0 | 0 | 0 | 106.5 | F102 | V100-F102 PolarHBondContact O-N 3.28Š|
| 101 | G | 48.3 | Very low | 45.8 | Very low | 73 Ų | 73 | 126.9 Ų | 126.9 | 75% | 0.753 | 72% | 0.716 | S | S | * | * | | | trans | -73.6 | 113.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | C103 | G101-C103 PolarHBondContact O-N 3.09Š|
| 102 | F | 45.5 | Very low | 45.5 | Very low | 193 Ų | 193 | 127.6 Ų | 127.6 | 85% | 0.846 | 72% | 0.716 | S | S | * | * | | | trans | -65.9 | 97.5 | 173.6 | -74.7 | -89 | 0 | 0 | 0 | 110.1 | V100 P104 | V100-F102 PolarHBondContact O-N 3.28Å; F102-P104 WeakPolarHBondContact O-CD 3.06Å |
| 103 | C | 42.9 | Very low | 45.6 | Very low | 75 Ų | 75 | 127.6 Ų | 127.6 | 51% | 0.507 | 72% | 0.716 | S | S | . | * | | | trans | -84.9 | 110.8 | 163.2 | -179.5 | 0 | 0 | 0 | 0 | 108.3 | G101 F105 A106 | G101-C103 PolarHBondContact O-N 3.09Å; C103-F105 PolarHBondContact O-N 3.01Å; C103-A106 HydrophobicContact CB-CB 3.82Å; C103-A106 PolarHBondContact O-N 3.04Å |
| 104 | P | 55 | Low | 45.5 | Very low | 112 Ų | 112 | 119.2 Ų | 119.2 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 3.4 | -177 | 28.3 | -34.7 | 0 | 0 | 0 | 114.4 | F102 | F102-P104 WeakPolarHBondContact O-CD 3.06Š|
| 105 | F | 53.4 | Low | 45.6 | Very low | 188 Ų | 188 | 123.2 Ų | 123.2 | 83% | 0.825 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.7 | 10.4 | 179.2 | -60.9 | -72.7 | 0 | 0 | 0 | 113.6 | C103 | C103-F105 PolarHBondContact O-N 3.01Š|
| 106 | A | 47.3 | Very low | 46 | Very low | 58 Ų | 58 | 126.6 Ų | 126.6 | 48% | 0.479 | 71% | 0.714 | S | S | . | * | S | Bend | trans | -101.4 | 127.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | C103 G108 | C103-A106 HydrophobicContact CB-CB 3.82Å; C103-A106 PolarHBondContact O-N 3.04Å; A106-G108 PolarHBondContact O-N 3.2Å |
| 107 | P | 46.5 | Very low | 46.2 | Very low | 137 Ų | 137 | 126 Ų | 126 | 89% | 0.89 | 72% | 0.715 | S | S | * | * | | | trans | -69.5 | 72.4 | 167.9 | -18.4 | 33.1 | 0 | 0 | 0 | 111.1 | | |
| 108 | G | 52.2 | Low | 46.6 | Very low | 51 Ų | 51 | 123.4 Ų | 123.4 | 53% | 0.526 | 71% | 0.707 | S | S | . | * | | | trans | -76.5 | 129.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | A106 I110 | A106-G108 PolarHBondContact O-N 3.2Å; G108-I110 VanDerWaalsContact O-CG1 3.27Å; G108-I110 WeakPolarHBondContact O-CG1 3.44Å; G108-I110 PolarHBondContact O-N 2.89Å |
| 109 | E | 42.3 | Very low | 46.7 | Very low | 179 Ų | 179 | 121.4 Ų | 121.4 | 84% | 0.836 | 71% | 0.711 | S | S | * | * | | | trans | -70.2 | 93.3 | 177.7 | -61.4 | 175.6 | 139.8 | 0 | 0 | 109.9 | S111 | E109-S111 PolarHBondContact O-N 2.89Š|
| 110 | I | 42.1 | Very low | 47.1 | Very low | 134 Ų | 134 | 118.7 Ų | 118.7 | 69% | 0.687 | 70% | 0.698 | S | S | * | * | | | trans | -77.7 | 54.1 | -177.6 | -33.1 | -177.8 | 0 | 0 | 0 | 111.2 | G108 V112 A114 | G108-I110 VanDerWaalsContact O-CG1 3.27Å; G108-I110 WeakPolarHBondContact O-CG1 3.44Å; G108-I110 PolarHBondContact O-N 2.89Å; I110-V112 PolarHBondContact O-N 3.45Å; I110-V112 VanDerWaalsContact O-N 3.1Å; I110-A114 HydrophobicContact CG2-CB 4.02Å |
| 111 | S | 42.3 | Very low | 47.4 | Very low | 87 Ų | 87 | 120 Ų | 120 | 61% | 0.608 | 70% | 0.699 | S | S | * | * | | | trans | -69.1 | 104.4 | -170.9 | -63.8 | 0 | 0 | 0 | 0 | 112.5 | E109 L113 | E109-S111 PolarHBondContact O-N 2.89Å; S111-L113 PolarHBondContact O-N 3.5Å |
| 112 | V | 45.3 | Very low | 47.1 | Very low | 115 Ų | 115 | 126.2 Ų | 126.2 | 70% | 0.697 | 70% | 0.7 | S | S | * | * | S | Bend | trans | 66 | -30.5 | 161 | -176 | 0 | 0 | 0 | 0 | 117 | I110 A114 | I110-V112 PolarHBondContact O-N 3.45Å; I110-V112 VanDerWaalsContact O-N 3.1Å; V112-A114 PolarHBondContact O-N 2.94Å |
| 113 | L | 44.9 | Very low | 46.7 | Very low | 136 Ų | 136 | 122 Ų | 122 | 71% | 0.712 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -73.4 | -28.3 | -168.6 | -157.4 | 73.6 | 0 | 0 | 0 | 114 | S111 E115 L116 | S111-L113 PolarHBondContact O-N 3.5Å; L113-E115 VanDerWaalsContact C-N 3.28Å; L113-E115 PolarHBondContact O-N 2.92Å; L113-L116 PolarHBondContact O-N 2.91Å |
| 114 | A | 46.7 | Very low | 46.6 | Very low | 65 Ų | 65 | 129.9 Ų | 129.9 | 54% | 0.537 | 71% | 0.714 | S | S | . | * | H | α-helix | trans | -66.4 | -27.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | I110 V112 | I110-A114 HydrophobicContact CG2-CB 4.02Å; V112-A114 PolarHBondContact O-N 2.94Å |
| 115 | E | 49 | Very low | 46.2 | Very low | 158 Ų | 158 | 133 Ų | 133 | 74% | 0.738 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -75.6 | -27 | -179.8 | -58 | -173.9 | 136.2 | 0 | 0 | 112.2 | L113 T117 L118 | L113-E115 VanDerWaalsContact C-N 3.28Å; L113-E115 PolarHBondContact O-N 2.92Å; E115-T117 VanDerWaalsContact C-N 3.32Å; E115-T117 PolarHBondContact O-N 3.28Å; E115-L118 PolarHBondContact O-N 3.16Å |
| 116 | L | 52.3 | Low | 45.6 | Very low | 139 Ų | 139 | 128.8 Ų | 128.8 | 73% | 0.728 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -76.4 | -18.1 | -169 | -150.4 | 134.9 | 0 | 0 | 0 | 113.5 | L113 L118 | L113-L116 PolarHBondContact O-N 2.91Å; L116-L118 VanDerWaalsContact C-N 3.32Å |
| 117 | T | 48 | Very low | 45.7 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 80% | 0.798 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -16.2 | 175.6 | -38.1 | 0 | 0 | 0 | 0 | 112.6 | E115 G119 | E115-T117 VanDerWaalsContact C-N 3.32Å; E115-T117 PolarHBondContact O-N 3.28Å; T117-G119 PolarHBondContact O-N 3.45Å |
| 118 | L | 51.8 | Low | 46.2 | Very low | 136 Ų | 136 | 132.2 Ų | 132.2 | 71% | 0.712 | 72% | 0.72 | S | S | * | * | | | trans | -80.3 | 35.2 | 176.6 | -98.3 | 167 | 0 | 0 | 0 | 113.2 | E115 L116 H120 L121 | E115-L118 PolarHBondContact O-N 3.16Å; L116-L118 VanDerWaalsContact C-N 3.32Å; L118-H120 PolarHBondContact O-N 3.38Å; L118-L121 PolarHBondContact O-N 3.01Å |
| 119 | G | 46.4 | Very low | 46.5 | Very low | 62 Ų | 62 | 134.8 Ų | 134.8 | 64% | 0.639 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | 30.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | T117 | T117-G119 PolarHBondContact O-N 3.45Š|
| 120 | H | 47.6 | Very low | 47 | Very low | 139 Ų | 139 | 132.1 Ų | 132.1 | 64% | 0.644 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.7 | 1.4 | 174.1 | -99.7 | 69.9 | 0 | 0 | 0 | 115.2 | L118 R122 | L118-H120 PolarHBondContact O-N 3.38Å; H120-R122 PolarHBondContact CE1-NH2 3.34Å; H120-R122 PolarHBondContact NE2-NH2 2.81Å; H120-R122 WeakPolarHBondContact O-CG 3.5Å; H120-R122 PolarHBondContact O-N 3.18Å |
| 121 | L | 44.9 | Very low | 47.7 | Very low | 152 Ų | 152 | 133.8 Ų | 133.8 | 80% | 0.796 | 73% | 0.73 | S | S | * | * | | | trans | -76.2 | 74.4 | 171 | -164.3 | 71 | 0 | 0 | 0 | 110.7 | L118 S123 | L118-L121 PolarHBondContact O-N 3.01Å; L121-S123 VanDerWaalsContact C-N 3.26Å; L121-S123 PolarHBondContact O-N 3.21Å |
| 122 | R | 41.8 | Very low | 47.8 | Very low | 204 Ų | 204 | 134.8 Ų | 134.8 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | | | trans | -76.7 | 60 | -168.7 | -66.1 | 170.5 | -176.9 | -126.6 | 8.2 | 114 | H120 | H120-R122 PolarHBondContact CE1-NH2 3.34Å; H120-R122 PolarHBondContact NE2-NH2 2.81Å; H120-R122 WeakPolarHBondContact O-CG 3.5Å; H120-R122 PolarHBondContact O-N 3.18Å |
| 123 | S | 37.5 | Very low | 48.1 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | | | trans | -116.7 | 127.8 | 164.3 | -76.9 | 0 | 0 | 0 | 0 | 109.8 | L121 L125 | L121-S123 VanDerWaalsContact C-N 3.26Å; L121-S123 PolarHBondContact O-N 3.21Å; S123-L125 PolarHBondContact O-N 3.48Å |
| 124 | R | 42.4 | Very low | 48.3 | Very low | 240 Ų | 240 | 135.3 Ų | 135.3 | 91% | 0.906 | 75% | 0.745 | S | S | * | * | | | trans | -72.7 | 95.6 | 177.5 | -69 | 178.4 | 177.6 | 173.4 | -2.2 | 109.6 | T126 | R124-T126 PolarHBondContact O-N 3.11Š|
| 125 | L | 45.7 | Very low | 48.6 | Very low | 178 Ų | 178 | 142.2 Ų | 142.2 | 93% | 0.932 | 76% | 0.758 | S | S | * | * | | | trans | -69.9 | 78.8 | 160.5 | -106.1 | 164.6 | 0 | 0 | 0 | 108.3 | S123 D127 | S123-L125 PolarHBondContact O-N 3.48Å; L125-D127 PolarHBondContact O-N 3.44Å |
| 126 | T | 40.7 | Very low | 48.8 | Very low | 100 Ų | 100 | 140.7 Ų | 140.7 | 61% | 0.613 | 76% | 0.762 | S | S | * | * | | | trans | -68.2 | 123.1 | 169.4 | -56.6 | 0 | 0 | 0 | 0 | 107.9 | R124 V128 | R124-T126 PolarHBondContact O-N 3.11Å; T126-V128 PolarHBondContact O-N 3.03Å |
| 127 | D | 49.6 | Very low | 48.6 | Very low | 160 Ų | 160 | 140.4 Ų | 140.4 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -73.3 | 40.8 | -174.1 | -167.5 | 33.4 | 0 | 0 | 0 | 114 | L125 | L125-D127 PolarHBondContact O-N 3.44Š|
| 128 | V | 56.4 | Low | 48.3 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 65% | 0.648 | 75% | 0.754 | S | S | * | * | | | trans | -141.8 | 97.6 | 178.2 | -176.6 | 0 | 0 | 0 | 0 | 108.2 | T126 | T126-V128 PolarHBondContact O-N 3.03Š|
| 129 | P | 58.4 | Low | 47.8 | Very low | 104 Ų | 104 | 139.7 Ų | 139.7 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | | | trans | -62.9 | 139.4 | 166.7 | 27.5 | -33.4 | 0 | 0 | 0 | 109.1 | Q131 | P129-Q131 PolarHBondContact O-N 3.08Š|
| 130 | P | 54 | Low | 47.5 | Very low | 123 Ų | 123 | 146.1 Ų | 146.1 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | | | trans | -61.7 | 109.1 | 176.1 | 24.9 | -32.8 | 0 | 0 | 0 | 109.6 | S132 | P130-S132 PolarHBondContact O-N 3.05Š|
| 131 | Q | 56.5 | Low | 47.5 | Very low | 169 Ų | 169 | 142.4 Ų | 142.4 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | | | trans | -71.6 | 84.2 | -165.2 | -172.1 | 179.2 | -33 | 0 | 0 | 112.3 | P129 N133 | P129-Q131 PolarHBondContact O-N 3.08Å; Q131-N133 VanDerWaalsContact C-N 3.25Å; Q131-N133 PolarHBondContact O-N 2.94Å |
| 132 | S | 44 | Very low | 47.3 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | 53.7 | -170.4 | 66.8 | 0 | 0 | 0 | 0 | 114.4 | P130 | P130-S132 PolarHBondContact O-N 3.05Š|
| 133 | N | 51.9 | Low | 47.2 | Very low | 150 Ų | 150 | 138.4 Ų | 138.4 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.3 | 19.5 | 179.7 | -85.2 | -54.7 | 0 | 0 | 0 | 114.5 | Q131 R135 | Q131-N133 VanDerWaalsContact C-N 3.25Å; Q131-N133 PolarHBondContact O-N 2.94Å; N133-R135 PolarHBondContact O-N 3.45Å |
| 134 | S | 49.5 | Very low | 47.7 | Very low | 112 Ų | 112 | 143.8 Ų | 143.8 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | | | trans | -62.8 | 129.3 | 172.8 | -64.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 135 | R | 52.6 | Low | 47.5 | Very low | 211 Ų | 211 | 139 Ų | 139 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | | | trans | -56.2 | 136.6 | -177.6 | -173.9 | -179 | -171.5 | 164.8 | -0.1 | 111.5 | N133 D137 | N133-R135 PolarHBondContact O-N 3.45Å; R135-D137 PolarHBondContact O-N 3.03Å; R135-D137 VanDerWaalsContact O-N 3.12Å |
| 136 | P | 54 | Low | 47.5 | Very low | 126 Ų | 126 | 133.8 Ų | 133.8 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | trans | -67.4 | 109.1 | 166.9 | -15.9 | 30.1 | 0 | 0 | 0 | 109.2 | | |
| 137 | D | 47.3 | Very low | 47.5 | Very low | 133 Ų | 133 | 140.5 Ų | 140.5 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | | | trans | -76.7 | 138.5 | 175.8 | -80.4 | -38.2 | 0 | 0 | 0 | 111.5 | R135 | R135-D137 PolarHBondContact O-N 3.03Å; R135-D137 VanDerWaalsContact O-N 3.12Å |
| 138 | T | 40.8 | Very low | 47.3 | Very low | 105 Ų | 105 | 141.4 Ų | 141.4 | 64% | 0.644 | 78% | 0.78 | S | S | * | * | | | trans | 63.9 | 81.1 | 162 | -44.7 | 0 | 0 | 0 | 0 | 117.1 | F140 | T138-F140 HydrophobicContact CG2-CD2 3.6Å; T138-F140 HydrophobicContact CG2-CE2 3.59Å |
| 139 | V | 42.3 | Very low | 46.5 | Very low | 145 Ų | 145 | 142.8 Ų | 142.8 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | | | trans | -116.1 | 107.3 | 141.7 | 178.6 | 0 | 0 | 0 | 0 | 107.8 | G141 | V139-G141 PolarHBondContact O-N 2.83Š|
| 140 | F | 40.4 | Very low | 45.9 | Very low | 197 Ų | 197 | 142.7 Ų | 142.7 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | | | trans | -75.3 | 117.7 | 169.7 | -78.4 | -85.6 | 0 | 0 | 0 | 109.2 | T138 | T138-F140 HydrophobicContact CG2-CD2 3.6Å; T138-F140 HydrophobicContact CG2-CE2 3.59Å |
| 141 | G | 47.3 | Very low | 45.3 | Very low | 61 Ų | 61 | 143.2 Ų | 143.2 | 63% | 0.629 | 79% | 0.786 | S | S | * | * | | | trans | -177.2 | 92.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | V139 D143 | V139-G141 PolarHBondContact O-N 2.83Å; G141-D143 PolarHBondContact O-N 3.01Å |
| 142 | P | 40.8 | Very low | 44.5 | Very low | 130 Ų | 130 | 141.7 Ų | 141.7 | 84% | 0.844 | 78% | 0.783 | S | S | * | * | | | trans | -84.9 | 110.9 | -175.9 | 31.6 | -31.5 | 0 | 0 | 0 | 111.3 | | |
| 143 | D | 39.5 | Very low | 44.5 | Very low | 142 Ų | 142 | 147.4 Ų | 147.4 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | | | | -169.9 | 155.8 | 128.8 | -125.5 | -38.6 | 0 | 0 | 0 | 115 | G141 | G141-D143 PolarHBondContact O-N 3.01Š|
| 144 | R | 48.3 | Very low | 44.1 | Very low | 219 Ų | 219 | 145.5 Ų | 145.5 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | | | trans | 53.8 | 120.9 | 159.9 | -68.5 | 174.6 | 174.7 | 167.5 | -2.1 | 121.1 | | |
| 145 | P | 37.3 | Very low | 43.7 | Very low | 138 Ų | 138 | 147.5 Ų | 147.5 | 90% | 0.896 | 78% | 0.782 | S | S | * | * | | | trans | -82.2 | 129.7 | 169.2 | 32.9 | -32.4 | 0 | 0 | 0 | 112.8 | | |
| 146 | G | 46.4 | Very low | 43.4 | Very low | 70 Ų | 70 | 144.6 Ų | 144.6 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | | | trans | -144.7 | 13.5 | -168.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | H148 | G146-H148 PolarHBondContact O-N 2.63Š|
| 147 | R | 40.6 | Very low | 42.9 | Very low | 241 Ų | 241 | 144.3 Ų | 144.3 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | | | trans | 13.7 | 94.4 | 163.4 | 52.2 | 152.1 | 63.9 | -178.5 | -0.8 | 120.1 | | |
| 148 | H | 44.6 | Very low | 43 | Very low | 178 Ų | 178 | 143.3 Ų | 143.3 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | | | trans | -152.9 | 162.2 | 147.6 | -148.6 | -105.4 | 0 | 0 | 0 | 114.4 | G146 | G146-H148 PolarHBondContact O-N 2.63Š|
| 149 | L | 40.9 | Very low | 43.3 | Very low | 137 Ų | 137 | 143.8 Ų | 143.8 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | | | trans | -77 | 155.4 | -168.1 | -62.4 | 98.9 | 0 | 0 | 0 | 115.9 | | |
| 150 | A | 45 | Very low | 43.2 | Very low | 101 Ų | 101 | 142.7 Ų | 142.7 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | | | trans | -148.4 | 146.4 | 153.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 151 | L | 41.4 | Very low | 43.2 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 71% | 0.707 | 78% | 0.777 | S | S | * | * | | | trans | -128.3 | 132.6 | -174 | -76.7 | 171.3 | 0 | 0 | 0 | 114 | R153 | L151-R153 PolarHBondContact O-NH1 2.94Š|
| 152 | L | 39.2 | Very low | 42.6 | Very low | 136 Ų | 136 | 138.8 Ų | 138.8 | 71% | 0.712 | 78% | 0.783 | S | S | * | * | | | trans | 34.9 | 115.3 | 146.8 | -79.6 | 162 | 0 | 0 | 0 | 120.5 | | |
| 153 | R | 45.6 | Very low | 42.5 | Very low | 229 Ų | 229 | 142 Ų | 142 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | | | trans | -145 | 114.2 | 145.3 | -56.3 | -66.7 | -176.2 | -92.4 | 4.1 | 105.1 | L151 | L151-R153 PolarHBondContact O-NH1 2.94Š|
| 154 | V | 42.9 | Very low | 42.3 | Very low | 109 Ų | 109 | 139.7 Ų | 139.7 | 66% | 0.661 | 79% | 0.787 | S | S | * | * | | | cis | 89.8 | 95.5 | 38.5 | -176.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 155 | L | 41.4 | Very low | 42.1 | Very low | 154 Ų | 154 | 134.7 Ų | 134.7 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | | | trans | 51.8 | 120.9 | 145.4 | -53.1 | 175.6 | 0 | 0 | 0 | 122.1 | | |
| 156 | D | 44.8 | Very low | 42 | Very low | 150 Ų | 150 | 140.1 Ų | 140.1 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | | | | -171.2 | 115.5 | 106.4 | -103.2 | -17.6 | 0 | 0 | 0 | 110.4 | | |
| 157 | V | 43.3 | Very low | 41.5 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | | 81.3 | 97.1 | 94.4 | 173.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 158 | P | 49.9 | Very low | 41.6 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | trans | -91.6 | 163.1 | 160.4 | 40 | -35.1 | 0 | 0 | 0 | 110.8 | | |
| 159 | P | 47.8 | Very low | 41.5 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | | | | -141.8 | -152.4 | 67.8 | 29 | -1.8 | 0 | 0 | 0 | 112.1 | | |
| 160 | T | 40 | Very low | 41.6 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | | | cis | -162.6 | 149.8 | 15.4 | -27.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 161 | A | 39.5 | Very low | 41.7 | Very low | 104 Ų | 104 | 136.1 Ų | 136.1 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | | | trans | 61.3 | 150.4 | 153.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 162 | G | 35.3 | Very low | 42 | Very low | 73 Ų | 73 | 135 Ų | 135 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | | | trans | 140.1 | 82.9 | 154.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 163 | H | 38.2 | Very low | 42.5 | Very low | 197 Ų | 197 | 132.2 Ų | 132.2 | 91% | 0.912 | 79% | 0.785 | S | S | * | * | | | trans | 38.7 | 132.1 | 148.1 | -94.2 | -126.9 | 0 | 0 | 0 | 122.5 | | |
| 164 | A | 36.2 | Very low | 42.6 | Very low | 93 Ų | 93 | 125.7 Ų | 125.7 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | | | trans | -76.6 | 143.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 165 | S | 43.2 | Very low | 43 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | -165 | 121.2 | 151.5 | -88.3 | 0 | 0 | 0 | 0 | 115.4 | | |
| 166 | R | 35.8 | Very low | 43.4 | Very low | 252 Ų | 252 | 134.2 Ų | 134.2 | 95% | 0.951 | 78% | 0.784 | S | S | * | * | | | trans | 21 | 122.2 | 139.1 | -59.4 | 176.1 | 172.4 | -166.9 | -3.3 | 120.6 | | |
| 167 | G | 35 | Very low | 43.9 | Very low | 64 Ų | 64 | 131.2 Ų | 131.2 | 66% | 0.66 | 78% | 0.78 | S | S | * | * | | | trans | -165.2 | 121 | 153.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 168 | L | 43.7 | Very low | 44.2 | Very low | 168 Ų | 168 | 131.1 Ų | 131.1 | 88% | 0.88 | 78% | 0.782 | S | S | * | * | | | | 57.8 | 126.6 | 80.3 | -59.4 | 168.1 | 0 | 0 | 0 | 111.5 | | |
| 169 | C | 42.8 | Very low | 44.4 | Very low | 102 Ų | 102 | 133 Ų | 133 | 69% | 0.689 | 79% | 0.785 | S | S | * | * | | | cis | -169.4 | 174.4 | 7.9 | -99.2 | 0 | 0 | 0 | 0 | 107.2 | | |
| 170 | T | 41.7 | Very low | 44.5 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 71% | 0.712 | 79% | 0.787 | S | S | * | * | | | cis | -170.3 | 169.5 | 1.9 | 14 | 0 | 0 | 0 | 0 | 110.7 | | |
| 171 | K | 48.4 | Very low | 45 | Very low | 193 Ų | 193 | 132.1 Ų | 132.1 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | | | trans | 72.2 | 149.1 | 155.8 | -76 | -177.7 | 178.7 | 179.8 | 0 | 119.1 | | |
| 172 | S | 48.1 | Very low | 45.6 | Very low | 110 Ų | 110 | 136.3 Ų | 136.3 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | | | cis | -172.3 | 141.3 | -21.6 | 49 | 0 | 0 | 0 | 0 | 114.3 | | |
| 173 | G | 48.1 | Very low | 46.1 | Very low | 78 Ų | 78 | 136.8 Ų | 136.8 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | 105.6 | 152.7 | 155.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 174 | S | 49.5 | Very low | 46.7 | Very low | 92 Ų | 92 | 132.7 Ų | 132.7 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | | | cis | -164.1 | 129.6 | -7.9 | -164.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 175 | R | 51 | Low | 47.1 | Very low | 213 Ų | 213 | 135.2 Ų | 135.2 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | 65.2 | 124 | 163.8 | -69.5 | 178.6 | -79.7 | -134 | 4.4 | 117.4 | | |
| 176 | R | 49.2 | Very low | 47.5 | Very low | 230 Ų | 230 | 139.4 Ų | 139.4 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | | | | 83 | 131.3 | 69.3 | -157.9 | -159.1 | -71.8 | -177.5 | -5.4 | 110.4 | | |
| 177 | A | 54.2 | Low | 48.1 | Very low | 87 Ų | 87 | 132 Ų | 132 | 72% | 0.719 | 76% | 0.764 | S | S | * | * | | | cis | -141.8 | 172.6 | 20.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 178 | P | 50.3 | Low | 49.3 | Very low | 117 Ų | 117 | 136.5 Ų | 136.5 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | | | trans | -110 | 162.4 | 179.8 | 40.4 | -32 | 0 | 0 | 0 | 115 | | |
| 179 | L | 54.6 | Low | 49.5 | Very low | 151 Ų | 151 | 139.6 Ų | 139.6 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | | | trans | -150 | 142.8 | 155.4 | -80.2 | -175.5 | 0 | 0 | 0 | 111 | | |
| 180 | D | 49.9 | Very low | 50.2 | Low | 150 Ų | 150 | 144.1 Ų | 144.1 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | | | trans | 43 | 140.4 | 148 | -45.7 | -33.1 | 0 | 0 | 0 | 122.2 | | |
| 181 | G | 49.8 | Very low | 50.9 | Low | 70 Ų | 70 | 144.6 Ų | 144.6 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | | | cis | 170.5 | 176 | -4.3 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 182 | H | 51.5 | Low | 50.9 | Low | 192 Ų | 192 | 148.2 Ų | 148.2 | 89% | 0.889 | 80% | 0.797 | S | S | * | * | | | trans | 64.7 | 132.3 | 169.6 | -127.6 | -74.9 | 0 | 0 | 0 | 120.5 | | |
| 183 | A | 46.8 | Very low | 51.1 | Low | 83 Ų | 83 | 150.2 Ų | 150.2 | 69% | 0.686 | 80% | 0.798 | S | S | * | * | | | trans | -102.8 | 165.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 184 | S | 51.5 | Low | 51.2 | Low | 110 Ų | 110 | 153.9 Ų | 153.9 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | | | trans | -157.6 | 124.3 | 157.1 | -81.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 185 | D | 44.5 | Very low | 51.3 | Low | 147 Ų | 147 | 157.4 Ų | 157.4 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | | | trans | -76 | 148.6 | 171.2 | 177.7 | 27.8 | 0 | 0 | 0 | 110.7 | S187 | D185-S187 PolarHBondContact OD1-N 3.09Š|
| 186 | R | 51.1 | Low | 51.3 | Low | 202 Ų | 202 | 154.1 Ų | 154.1 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | | | trans | -147 | 78.6 | 167.7 | -72.7 | -160.7 | -178 | -156.4 | 1.5 | 111.1 | F188 | R186-F188 HydrophobicContact CB-CE2 4.17Å; R186-F188 PolarHBondContact O-N 2.99Å |
| 187 | S | 47.8 | Very low | 51.5 | Low | 98 Ų | 98 | 149.4 Ų | 149.4 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | | | trans | -57.8 | 131 | 155.6 | -173 | 0 | 0 | 0 | 0 | 110.3 | D185 | D185-S187 PolarHBondContact OD1-N 3.09Š|
| 188 | F | 60.7 | Low | 51.3 | Low | 158 Ų | 158 | 153.5 Ų | 153.5 | 69% | 0.693 | 81% | 0.808 | S | S | * | * | | | trans | -109.5 | 125.1 | 167.1 | -79.4 | -91 | 0 | 0 | 0 | 109.2 | R186 | R186-F188 HydrophobicContact CB-CE2 4.17Å; R186-F188 PolarHBondContact O-N 2.99Å |
| 189 | R | 47 | Very low | 51.4 | Low | 232 Ų | 232 | 156.1 Ų | 156.1 | 88% | 0.875 | 81% | 0.811 | S | S | * | * | | | trans | -101.5 | 145.9 | 158.6 | -68.2 | -171.7 | -178.4 | -166.2 | 1.7 | 108.8 | | |
| 190 | F | 57.7 | Low | 51.1 | Low | 197 Ų | 197 | 156.5 Ų | 156.5 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | | | trans | -125.6 | 151.3 | 157 | -95.9 | -91.7 | 0 | 0 | 0 | 108.6 | | |
| 191 | T | 56.2 | Low | 51.2 | Low | 127 Ų | 127 | 157.1 Ų | 157.1 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | | | trans | -103.1 | 140.3 | -171.8 | 27.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 192 | E | 50.1 | Low | 51.4 | Low | 269 Ų | 269 | 165 Ų | 165 | 100% | 1.257 | 82% | 0.822 | S | S | * | * | | | | -123 | 0 | 111.6 | -71.8 | -165.7 | 108.6 | 0 | 0 | 108.5 | | |