| 1 | M | 46.8 | Very low | 63.1 | Low | 242 Ų | 242 | 165.5 Ų | 165.5 | 100% | 1.192 | 83% | 0.826 | S | S | * | * | | | | 0 | 111.4 | 0 | -65.4 | -55.1 | 175.4 | 0 | 0 | 108.7 | | |
| 2 | S | 67.8 | Low | 63 | Low | 118 Ų | 118 | 162.3 Ų | 162.3 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 132.7 | 179.1 | 56.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 3 | L | 63 | Low | 62.8 | Low | 158 Ų | 158 | 163.7 Ų | 163.7 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 139.3 | 174 | -73.8 | 164.3 | 0 | 0 | 0 | 110.9 | R5 | L3-R5 PolarHBondContact O-N 3.17Š|
| 4 | P | 63.1 | Low | 63 | Low | 124 Ų | 124 | 162.7 Ų | 162.7 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 121.5 | 175.2 | 0.5 | 7.9 | 0 | 0 | 0 | 109.6 | L6 | P4-L6 PolarHBondContact O-N 3.2Š|
| 5 | R | 66.3 | Low | 63.2 | Low | 245 Ų | 245 | 161.2 Ų | 161.2 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | | | trans | -76.1 | 110.2 | 173.9 | -67.8 | -176.2 | 177 | 136 | -1.6 | 108.5 | L3 K7 | L3-R5 PolarHBondContact O-N 3.17Å; R5-K7 PolarHBondContact O-N 3.3Å; R5-K7 VanDerWaalsContact O-N 3.14Å |
| 6 | L | 66.2 | Low | 63.3 | Low | 154 Ų | 154 | 157.4 Ų | 157.4 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | | | trans | -66 | 110.4 | 171.8 | -170.1 | 72.8 | 0 | 0 | 0 | 108.7 | P4 V8 | P4-L6 PolarHBondContact O-N 3.2Å; L6-V8 VanDerWaalsContact C-N 3.32Å; L6-V8 HydrophobicContact CD2-CG2 4.01Å; L6-V8 HydrophobicContact CG-CG2 4.15Å; L6-V8 PolarHBondContact O-N 2.85Å |
| 7 | K | 62.5 | Low | 63.8 | Low | 204 Ų | 204 | 157 Ų | 157 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | | | trans | -78.5 | 85.5 | 175.7 | -168.5 | 164.8 | -178.7 | 178.9 | 0 | 108.7 | R5 N9 | R5-K7 PolarHBondContact O-N 3.3Å; R5-K7 VanDerWaalsContact O-N 3.14Å; K7-N9 PolarHBondContact O-N 3.34Å |
| 8 | V | 64.9 | Low | 64 | Low | 101 Ų | 101 | 154.7 Ų | 154.7 | 61% | 0.612 | 80% | 0.797 | S | S | * | * | | | trans | -72 | 122.8 | 175.7 | -161.2 | 0 | 0 | 0 | 0 | 107.9 | L6 I10 | L6-V8 VanDerWaalsContact C-N 3.32Å; L6-V8 HydrophobicContact CD2-CG2 4.01Å; L6-V8 HydrophobicContact CG-CG2 4.15Å; L6-V8 PolarHBondContact O-N 2.85Å; V8-I10 VanDerWaalsContact C-N 3.28Å; V8-I10 PolarHBondContact O-N 3.1Å |
| 9 | N | 64.6 | Low | 64 | Low | 144 Ų | 144 | 151.6 Ų | 151.6 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | | | trans | -77.7 | 80.9 | 178.8 | -157.4 | 55.2 | 0 | 0 | 0 | 108.9 | K7 R11 | K7-N9 PolarHBondContact O-N 3.34Å; N9-R11 PolarHBondContact O-N 2.96Å; N9-R11 VanDerWaalsContact O-N 3.07Å |
| 10 | I | 63.6 | Low | 64.3 | Low | 142 Ų | 142 | 147 Ų | 147 | 73% | 0.728 | 76% | 0.763 | S | S | * | * | | | trans | -69.2 | 105.5 | 174.8 | -54.7 | 176 | 0 | 0 | 0 | 106.3 | V8 T12 | V8-I10 VanDerWaalsContact C-N 3.28Å; V8-I10 PolarHBondContact O-N 3.1Å; I10-T12 PolarHBondContact O-N 3.02Å |
| 11 | R | 65.9 | Low | 64.4 | Low | 189 Ų | 189 | 145.7 Ų | 145.7 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | | | trans | -59.9 | 120.9 | 169.7 | -78.4 | -175.1 | 175.1 | -163.3 | -1.7 | 107.6 | N9 Y13 | N9-R11 PolarHBondContact O-N 2.96Å; N9-R11 VanDerWaalsContact O-N 3.07Å; R11-Y13 HydrophobicContact CB-CE2 4.47Å; R11-Y13 WeakPolarHBondContact O-CD2 3.32Å; R11-Y13 PolarHBondContact O-N 3.11Å; R11-Y13 VanDerWaalsContact O-N 3.09Å |
| 12 | T | 61.3 | Low | 65.2 | Low | 127 Ų | 127 | 138.2 Ų | 138.2 | 78% | 0.779 | 73% | 0.725 | S | S | * | * | | | trans | -63.4 | 110.1 | 168.2 | -48.7 | 0 | 0 | 0 | 0 | 106.8 | I10 | I10-T12 PolarHBondContact O-N 3.02Š|
| 13 | Y | 60.8 | Low | 65 | Low | 180 Ų | 180 | 134.1 Ų | 134.1 | 71% | 0.706 | 70% | 0.696 | S | S | * | * | | | trans | -82.5 | 119.9 | 170.7 | -78 | -86.3 | 0 | 0 | 0 | 107.5 | R11 N15 | R11-Y13 HydrophobicContact CB-CE2 4.47Å; R11-Y13 WeakPolarHBondContact O-CD2 3.32Å; R11-Y13 PolarHBondContact O-N 3.11Å; R11-Y13 VanDerWaalsContact O-N 3.09Å; Y13-N15 PolarHBondContact O-N 2.78Å; Y13-N15 VanDerWaalsContact O-N 3.15Å |
| 14 | D | 65.2 | Low | 65.2 | Low | 150 Ų | 150 | 133.6 Ų | 133.6 | 80% | 0.802 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -66.5 | -10.7 | 176.1 | -70.7 | -28.8 | 0 | 0 | 0 | 112.9 | S16 | D14-S16 PolarHBondContact O-N 2.86Š|
| 15 | N | 65.6 | Low | 65.3 | Low | 140 Ų | 140 | 135.7 Ų | 135.7 | 75% | 0.749 | 68% | 0.68 | S | S | * | * | | | trans | -78.3 | 47.5 | 175.6 | -59.7 | -33.3 | 0 | 0 | 0 | 112.2 | Y13 I17 | Y13-N15 PolarHBondContact O-N 2.78Å; Y13-N15 VanDerWaalsContact O-N 3.15Å; N15-I17 PolarHBondContact O-N 3.08Å; N15-I17 VanDerWaalsContact O-N 3.1Å |
| 16 | S | 65.7 | Low | 65.1 | Low | 100 Ų | 100 | 125.3 Ų | 125.3 | 70% | 0.699 | 65% | 0.645 | S | S | * | * | | | trans | -61.7 | 115.3 | 172.3 | 69 | 0 | 0 | 0 | 0 | 108.9 | D14 P18 | D14-S16 PolarHBondContact O-N 2.86Å; S16-P18 VanDerWaalsContact O-CD 3.32Å; S16-P18 WeakPolarHBondContact O-CD 3.37Å |
| 17 | I | 71.4 | Confident | 64.9 | Low | 151 Ų | 151 | 127 Ų | 127 | 77% | 0.774 | 64% | 0.641 | S | S | * | * | | | trans | -76.6 | 115.8 | 171 | -59.8 | 174.1 | 0 | 0 | 0 | 105.7 | N15 I19 | N15-I17 PolarHBondContact O-N 3.08Å; N15-I17 VanDerWaalsContact O-N 3.1Å; I17-I19 PolarHBondContact O-N 2.78Å |
| 18 | P | 67.2 | Low | 64.9 | Low | 116 Ų | 116 | 124.6 Ų | 124.6 | 75% | 0.753 | 64% | 0.637 | S | S | * | * | | | trans | -63.8 | 116.7 | 179.7 | 25.3 | -32.2 | 0 | 0 | 0 | 109 | S16 S20 | S16-P18 VanDerWaalsContact O-CD 3.32Å; S16-P18 WeakPolarHBondContact O-CD 3.37Å; P18-S20 PolarHBondContact O-N 3.1Å; P18-S20 VanDerWaalsContact O-N 3.15Å |
| 19 | I | 65.1 | Low | 64.9 | Low | 95 Ų | 95 | 124.8 Ų | 124.8 | 49% | 0.487 | 63% | 0.631 | S | S | . | * | | | trans | -70.1 | 108.5 | 173.2 | -63.3 | 177.7 | 0 | 0 | 0 | 106.4 | I17 S23 R24 | I17-I19 PolarHBondContact O-N 2.78Å; I19-S23 WeakPolarHBondContact CA-OG 3.5Å; I19-S23 WeakPolarHBondContact CG2-OG 3.32Å; I19-R24 HydrophobicContact CG2-CB 4.15Å |
| 20 | S | 69.3 | Low | 64.6 | Low | 60 Ų | 60 | 127.5 Ų | 127.5 | 42% | 0.42 | 64% | 0.636 | S | S | . | * | | | trans | -58.9 | 151.4 | 172.9 | 65.7 | 0 | 0 | 0 | 0 | 110.8 | P18 S22 S23 R24 | P18-S20 PolarHBondContact O-N 3.1Å; P18-S20 VanDerWaalsContact O-N 3.15Å; S20-S22 PolarHBondContact O-N 2.84Å; S20-S22 VanDerWaalsContact O-N 3.11Å; S20-S22 PolarHBondContact OG-OG 2.78Å; S20-S23 PolarHBondContact N-OG 2.75Å; S20-S23 WeakPolarHBondContact O-CA 3.04Å; S20-S23 PolarHBondContact O-N 2.84Å; S20-S23 PolarHBondContact O-OG 3.09Å; S20-S23 WeakPolarHBondContact OG-CB 3.34Å; S20-S23 PolarHBondContact OG-N 2.81Å; S20-S23 PolarHBondContact OG-OG 3.15Å; S20-R24 PolarHBondContact O-N 2.67Å |
| 21 | E | 66.4 | Low | 64.3 | Low | 120 Ų | 120 | 128 Ų | 128 | 56% | 0.561 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -54 | -34.2 | 179.4 | -163.8 | 72.5 | -134.2 | 0 | 0 | 112.3 | R24 K25 | E21-R24 IonicContact OE1-CZ 3.93Å; E21-R24 IonicContact OE1-NH1 2.81Å; E21-R24 PolarHBondContact OE1-NH1 3.45Å; E21-R24 IonicContact OE2-CZ 3.94Å; E21-R24 IonicContact OE2-NH1 3.01Å; E21-R24 PolarHBondContact OE2-NH1 3.43Å; E21-K25 PolarHBondContact O-N 3.14Å |
| 22 | S | 64.1 | Low | 64 | Low | 84 Ų | 84 | 126.1 Ų | 126.1 | 59% | 0.587 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -67.3 | -41.8 | 173.8 | 56.2 | 0 | 0 | 0 | 0 | 112.4 | S20 R24 K25 S26 | S20-S22 PolarHBondContact O-N 2.84Å; S20-S22 VanDerWaalsContact O-N 3.11Å; S20-S22 PolarHBondContact OG-OG 2.78Å; S22-R24 VanDerWaalsContact C-N 3.32Å; S22-R24 PolarHBondContact O-N 2.89Å; S22-K25 PolarHBondContact O-N 3.19Å; S22-S26 PolarHBondContact O-N 3.01Å; S22-S26 PolarHBondContact O-OG 3.07Å |
| 23 | S | 62.8 | Low | 64.2 | Low | 33 Ų | 33 | 123.3 Ų | 123.3 | 23% | 0.231 | 62% | 0.622 | C | S | . | * | H | α-helix | trans | -67.9 | -29.3 | 177.7 | 69 | 0 | 0 | 0 | 0 | 113.4 | I19 S20 K25 S26 W27 | I19-S23 WeakPolarHBondContact CA-OG 3.5Å; I19-S23 WeakPolarHBondContact CG2-OG 3.32Å; S20-S23 PolarHBondContact N-OG 2.75Å; S20-S23 WeakPolarHBondContact O-CA 3.04Å; S20-S23 PolarHBondContact O-N 2.84Å; S20-S23 PolarHBondContact O-OG 3.09Å; S20-S23 WeakPolarHBondContact OG-CB 3.34Å; S20-S23 PolarHBondContact OG-N 2.81Å; S20-S23 PolarHBondContact OG-OG 3.15Å; S23-K25 VanDerWaalsContact C-N 3.33Å; S23-K25 PolarHBondContact O-N 2.93Å; S23-S26 VanDerWaalsContact CA-OG 3.29Å; S23-S26 WeakPolarHBondContact CA-OG 3.48Å; S23-S26 CarbonylContact O-C 3.55Å; S23-S26 PolarHBondContact O-N 2.91Å; S23-S26 PolarHBondContact O-OG 3.25Å; S23-W27 WeakPolarHBondContact O-CB 3.4Å; S23-W27 PolarHBondContact O-N 3.07Å |
| 24 | R | 66.4 | Low | 64.6 | Low | 147 Ų | 147 | 121.8 Ų | 121.8 | 56% | 0.555 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -63.5 | -39.2 | 172.4 | -164.7 | -174.2 | -68.6 | 142.5 | -2.6 | 111.6 | I19 S20 E21 S22 | I19-R24 HydrophobicContact CG2-CB 4.15Å; S20-R24 PolarHBondContact O-N 2.67Å; E21-R24 IonicContact OE1-CZ 3.93Å; E21-R24 IonicContact OE1-NH1 2.81Å; E21-R24 PolarHBondContact OE1-NH1 3.45Å; E21-R24 IonicContact OE2-CZ 3.94Å; E21-R24 IonicContact OE2-NH1 3.01Å; E21-R24 PolarHBondContact OE2-NH1 3.43Å; S22-R24 VanDerWaalsContact C-N 3.32Å; S22-R24 PolarHBondContact O-N 2.89Å |
| 25 | K | 65.2 | Low | 64.7 | Low | 168 Ų | 168 | 120.4 Ų | 120.4 | 73% | 0.73 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -73.3 | -31.9 | 175.3 | -68.6 | 179.7 | -179 | 178 | 0 | 112.6 | E21 S22 S23 | E21-K25 PolarHBondContact O-N 3.14Å; S22-K25 PolarHBondContact O-N 3.19Å; S23-K25 VanDerWaalsContact C-N 3.33Å; S23-K25 PolarHBondContact O-N 2.93Å |
| 26 | S | 62.7 | Low | 65.3 | Low | 27 Ų | 27 | 121.7 Ų | 121.7 | 19% | 0.189 | 62% | 0.622 | C | S | . | * | H | α-helix | trans | -87.4 | -7.3 | 177.2 | 70 | 0 | 0 | 0 | 0 | 114.2 | S22 S23 N28 Q29 | S22-S26 PolarHBondContact O-N 3.01Å; S22-S26 PolarHBondContact O-OG 3.07Å; S23-S26 VanDerWaalsContact CA-OG 3.29Å; S23-S26 WeakPolarHBondContact CA-OG 3.48Å; S23-S26 CarbonylContact O-C 3.55Å; S23-S26 PolarHBondContact O-N 2.91Å; S23-S26 PolarHBondContact O-OG 3.25Å; S26-N28 PolarHBondContact O-N 3.1Å; S26-Q29 VanDerWaalsContact CB-OE1 3.3Å; S26-Q29 WeakPolarHBondContact O-CB 3.45Å; S26-Q29 PolarHBondContact O-N 3.13Å |
| 27 | W | 61.4 | Low | 66 | Low | 190 Ų | 190 | 122.2 Ų | 122.2 | 72% | 0.72 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -33.6 | 179.4 | -175.2 | -100.7 | 0 | 0 | 0 | 112.5 | S23 | S23-W27 WeakPolarHBondContact O-CB 3.4Å; S23-W27 PolarHBondContact O-N 3.07Å |
| 28 | N | 63.7 | Low | 66.4 | Low | 153 Ų | 153 | 122.9 Ų | 122.9 | 82% | 0.818 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | 10.2 | 177.2 | -151.4 | 14.9 | 0 | 0 | 0 | 112.9 | S26 K30 | S26-N28 PolarHBondContact O-N 3.1Å; N28-K30 PolarHBondContact O-N 2.8Å |
| 29 | Q | 64.1 | Low | 67 | Low | 104 Ų | 104 | 122.4 Ų | 122.4 | 49% | 0.486 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -69.9 | 133.5 | 169.6 | -87.9 | 174.9 | -17.7 | 0 | 0 | 108.7 | S26 H31 F32 | S26-Q29 VanDerWaalsContact CB-OE1 3.3Å; S26-Q29 WeakPolarHBondContact O-CB 3.45Å; S26-Q29 PolarHBondContact O-N 3.13Å; Q29-H31 HydrophobicContact CB-CB 4.46Å; Q29-H31 PolarHBondContact O-N 3.46Å; Q29-F32 PolarHBondContact O-N 3.27Å |
| 30 | K | 58.9 | Low | 67.5 | Low | 202 Ų | 202 | 126 Ų | 126 | 88% | 0.878 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | 4.7 | 174.8 | -62.1 | -175.5 | 177.6 | -177.9 | 0 | 114.5 | N28 | N28-K30 PolarHBondContact O-N 2.8Š|
| 31 | H | 57.2 | Low | 67.7 | Low | 151 Ų | 151 | 129.5 Ų | 129.5 | 70% | 0.699 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -19.4 | -179.4 | -58.6 | -53.6 | 0 | 0 | 0 | 113.3 | Q29 A33 | Q29-H31 HydrophobicContact CB-CB 4.46Å; Q29-H31 PolarHBondContact O-N 3.46Å; H31-A33 PolarHBondContact O-N 3.15Å |
| 32 | F | 59.1 | Low | 67.6 | Low | 151 Ų | 151 | 135.1 Ų | 135.1 | 66% | 0.662 | 66% | 0.662 | S | S | * | * | | | trans | -89.4 | 52 | 169.4 | -73.1 | -80.6 | 0 | 0 | 0 | 111 | Q29 L34 | Q29-F32 PolarHBondContact O-N 3.27Å; F32-L34 PolarHBondContact O-N 3.23Å |
| 33 | A | 66.1 | Low | 67.4 | Low | 68 Ų | 68 | 133.5 Ų | 133.5 | 56% | 0.562 | 66% | 0.659 | S | S | * | * | | | trans | -71.9 | 111.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | H31 T35 | H31-A33 PolarHBondContact O-N 3.15Å; A33-T35 PolarHBondContact O-N 2.92Å; A33-T35 PolarHBondContact O-OG1 2.69Å |
| 34 | L | 68.8 | Low | 67.1 | Low | 147 Ų | 147 | 136.7 Ų | 136.7 | 77% | 0.77 | 68% | 0.677 | S | S | * | * | | | trans | -66.8 | 84.3 | 166.2 | -69.9 | 175.3 | 0 | 0 | 0 | 107.7 | F32 F36 | F32-L34 PolarHBondContact O-N 3.23Å; L34-F36 HydrophobicContact CB-CE2 4.15Å; L34-F36 WeakPolarHBondContact O-CD2 2.97Å; L34-F36 PolarHBondContact O-N 3.15Å; L34-F36 VanDerWaalsContact O-N 3.13Å |
| 35 | T | 68.9 | Low | 66.8 | Low | 122 Ų | 122 | 137 Ų | 137 | 75% | 0.748 | 69% | 0.69 | S | S | * | * | | | trans | -78.1 | 99.8 | 175.9 | -50.1 | 0 | 0 | 0 | 0 | 107.3 | A33 | A33-T35 PolarHBondContact O-N 2.92Å; A33-T35 PolarHBondContact O-OG1 2.69Å |
| 36 | F | 77.3 | Confident | 66.3 | Low | 167 Ų | 167 | 134.8 Ų | 134.8 | 73% | 0.732 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -68 | 131.7 | 168.4 | -67 | -82.9 | 0 | 0 | 0 | 108.4 | L34 K38 | L34-F36 HydrophobicContact CB-CE2 4.15Å; L34-F36 WeakPolarHBondContact O-CD2 2.97Å; L34-F36 PolarHBondContact O-N 3.15Å; L34-F36 VanDerWaalsContact O-N 3.13Å; F36-K38 PolarHBondContact O-N 3.01Å |
| 37 | P | 79.9 | Confident | 66.2 | Low | 110 Ų | 110 | 142.4 Ų | 142.4 | 71% | 0.714 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -58 | 142.9 | 171.3 | 26.2 | -33 | 0 | 0 | 0 | 108.3 | P39 | P37-P39 VanDerWaalsContact O-N 3.12Š|
| 38 | K | 79.5 | Confident | 66.1 | Low | 165 Ų | 165 | 139.1 Ų | 139.1 | 72% | 0.717 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 124.9 | 172.6 | -166.1 | 171.9 | -173.2 | 176.5 | 0 | 106.9 | F36 L40 | F36-K38 PolarHBondContact O-N 3.01Å; K38-L40 PolarHBondContact O-N 3.26Å |
| 39 | P | 80.2 | Confident | 65.9 | Low | 107 Ų | 107 | 142.3 Ų | 142.3 | 70% | 0.695 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -55 | 135.3 | 176.5 | 23 | -32 | 0 | 0 | 0 | 107 | P37 Q41 | P37-P39 VanDerWaalsContact O-N 3.12Å; P39-Q41 PolarHBondContact O-N 3.25Å |
| 40 | L | 75.4 | Confident | 65.5 | Low | 170 Ų | 170 | 142.6 Ų | 142.6 | 89% | 0.89 | 73% | 0.733 | S | S | * | * | | | trans | -52.7 | 109.8 | 172.3 | -175.3 | 70.1 | 0 | 0 | 0 | 105.3 | K38 R42 | K38-L40 PolarHBondContact O-N 3.26Å; L40-R42 PolarHBondContact O-N 3.21Å |
| 41 | Q | 74.3 | Confident | 65.5 | Low | 133 Ų | 133 | 141.1 Ų | 141.1 | 62% | 0.621 | 73% | 0.734 | S | S | * | * | | | trans | -54.3 | 117.9 | 178.7 | -74.8 | 176.9 | -23.9 | 0 | 0 | 104.3 | P39 G43 | P39-Q41 PolarHBondContact O-N 3.25Å; Q41-G43 VanDerWaalsContact C-N 3.32Å; Q41-G43 WeakPolarHBondContact O-CA 3.39Å; Q41-G43 PolarHBondContact O-N 3.29Å |
| 42 | R | 64.8 | Low | 65.4 | Low | 238 Ų | 238 | 143.1 Ų | 143.1 | 90% | 0.898 | 74% | 0.741 | S | S | * | * | | | trans | -42.4 | 108.5 | 175 | 179.2 | -172.8 | -151.9 | -177.7 | 7.4 | 104.2 | L40 T44 | L40-R42 PolarHBondContact O-N 3.21Å; R42-T44 PolarHBondContact O-N 3.11Å |
| 43 | G | 58.4 | Low | 65.4 | Low | 51 Ų | 51 | 140 Ų | 140 | 53% | 0.526 | 74% | 0.738 | S | S | . | * | | | trans | -48.3 | 112.2 | -166.6 | 0 | 0 | 0 | 0 | 0 | 105.8 | Q41 N45 | Q41-G43 VanDerWaalsContact C-N 3.32Å; Q41-G43 WeakPolarHBondContact O-CA 3.39Å; Q41-G43 PolarHBondContact O-N 3.29Å; G43-N45 PolarHBondContact O-N 2.88Å |
| 44 | T | 57.5 | Low | 65 | Low | 100 Ų | 100 | 145.6 Ų | 145.6 | 61% | 0.613 | 75% | 0.752 | S | S | * | * | | | trans | -66.6 | 82.4 | 166.6 | 17.7 | 0 | 0 | 0 | 0 | 103 | R42 D46 | R42-T44 PolarHBondContact O-N 3.11Å; T44-D46 WeakPolarHBondContact CB-OD2 3.44Å; T44-D46 HydrophobicContact CG2-CB 4.48Å; T44-D46 VanDerWaalsContact CG2-CG 3.4Å; T44-D46 WeakPolarHBondContact CG2-OD1 3.29Å; T44-D46 WeakPolarHBondContact CG2-OD2 3.48Å; T44-D46 PolarHBondContact O-N 3.49Å |
| 45 | N | 59.4 | Low | 64.3 | Low | 152 Ų | 152 | 145.7 Ų | 145.7 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | | | trans | -64.4 | 57 | 143 | -64.1 | -51.5 | 0 | 0 | 0 | 105.9 | G43 K47 | G43-N45 PolarHBondContact O-N 2.88Å; N45-K47 PolarHBondContact O-N 3.04Å |
| 46 | D | 55 | Low | 63.7 | Low | 123 Ų | 123 | 145.3 Ų | 145.3 | 66% | 0.658 | 75% | 0.75 | S | S | * | * | | | trans | -71.3 | 82.3 | 161.1 | -76.7 | -20.3 | 0 | 0 | 0 | 103.6 | T44 S48 | T44-D46 WeakPolarHBondContact CB-OD2 3.44Å; T44-D46 HydrophobicContact CG2-CB 4.48Å; T44-D46 VanDerWaalsContact CG2-CG 3.4Å; T44-D46 WeakPolarHBondContact CG2-OD1 3.29Å; T44-D46 WeakPolarHBondContact CG2-OD2 3.48Å; T44-D46 PolarHBondContact O-N 3.49Å; D46-S48 VanDerWaalsContact C-N 3.31Å; D46-S48 PolarHBondContact O-N 3.22Å |
| 47 | K | 60.2 | Low | 62.4 | Low | 187 Ų | 187 | 143 Ų | 143 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | | | trans | 15.2 | 73.5 | 151 | -78.8 | 170 | 164 | 171.4 | 0 | 113.2 | N45 R49 | N45-K47 PolarHBondContact O-N 3.04Å; K47-R49 PolarHBondContact O-N 3.48Å; K47-R49 VanDerWaalsContact O-N 3.08Å |
| 48 | S | 59.7 | Low | 61.3 | Low | 121 Ų | 121 | 143.5 Ų | 143.5 | 85% | 0.846 | 75% | 0.75 | S | S | * | * | | | trans | -80.9 | 42.9 | 152.2 | 59.3 | 0 | 0 | 0 | 0 | 108.8 | D46 P50 | D46-S48 VanDerWaalsContact C-N 3.31Å; D46-S48 PolarHBondContact O-N 3.22Å; S48-P50 WeakPolarHBondContact O-CD 3.34Å |
| 49 | R | 59.2 | Low | 60.4 | Low | 220 Ų | 220 | 140.3 Ų | 140.3 | 83% | 0.83 | 75% | 0.746 | S | S | * | * | | | trans | -83.1 | 113 | 161.1 | -167.6 | 177.5 | -165 | -171.5 | 4.6 | 104.6 | K47 L51 | K47-R49 PolarHBondContact O-N 3.48Å; K47-R49 VanDerWaalsContact O-N 3.08Å; R49-L51 PolarHBondContact O-N 3.45Å; R49-L51 VanDerWaalsContact O-N 3.1Å |
| 50 | P | 55.6 | Low | 59.4 | Low | 109 Ų | 109 | 142.6 Ų | 142.6 | 71% | 0.708 | 75% | 0.748 | S | S | * | * | | | trans | -55.8 | 125.9 | 170.1 | 22.4 | -29.4 | 0 | 0 | 0 | 106.8 | S48 K52 | S48-P50 WeakPolarHBondContact O-CD 3.34Å; P50-K52 PolarHBondContact O-N 3.19Å |
| 51 | L | 59.7 | Low | 58.7 | Low | 172 Ų | 172 | 136.5 Ų | 136.5 | 90% | 0.901 | 72% | 0.722 | S | S | * | * | | | trans | -60.2 | 95.5 | 172.3 | -175.8 | 70.4 | 0 | 0 | 0 | 105.8 | R49 S53 | R49-L51 PolarHBondContact O-N 3.45Å; R49-L51 VanDerWaalsContact O-N 3.1Å; L51-S53 VanDerWaalsContact C-N 3.35Å; L51-S53 PolarHBondContact O-N 3.29Å |
| 52 | K | 55.2 | Low | 58.1 | Low | 192 Ų | 192 | 135.7 Ų | 135.7 | 84% | 0.835 | 73% | 0.728 | S | S | * | * | | | trans | -64.4 | 102.5 | -179 | -146.9 | 174.5 | -172.9 | -177.6 | 0 | 106 | P50 | P50-K52 PolarHBondContact O-N 3.19Š|
| 53 | S | 58 | Low | 57.7 | Low | 86 Ų | 86 | 132.2 Ų | 132.2 | 60% | 0.601 | 72% | 0.715 | S | S | * | * | | | trans | 27.1 | 113.9 | 157.4 | 55.3 | 0 | 0 | 0 | 0 | 115.8 | L51 I55 | L51-S53 VanDerWaalsContact C-N 3.35Å; L51-S53 PolarHBondContact O-N 3.29Å; S53-I55 PolarHBondContact O-N 2.85Å |
| 54 | Q | 57.7 | Low | 57.9 | Low | 185 Ų | 185 | 134.6 Ų | 134.6 | 86% | 0.864 | 72% | 0.715 | S | S | * | * | | | trans | -37.3 | 114.7 | 162.6 | -80.5 | 173.5 | -15.5 | 0 | 0 | 110 | T56 | Q54-T56 VanDerWaalsContact C-N 3.33Å; Q54-T56 PolarHBondContact O-N 3.23Å; Q54-T56 VanDerWaalsContact O-N 3.11Å |
| 55 | I | 54.9 | Low | 58.1 | Low | 150 Ų | 150 | 137 Ų | 137 | 77% | 0.769 | 72% | 0.718 | S | S | * | * | | | trans | -74.2 | 99.8 | 162.8 | -61.1 | 171.5 | 0 | 0 | 0 | 104.2 | S53 V57 | S53-I55 PolarHBondContact O-N 2.85Å; I55-V57 VanDerWaalsContact C-N 3.3Å; I55-V57 HydrophobicContact CG2-CG2 4.25Å; I55-V57 PolarHBondContact O-N 3.05Å |
| 56 | T | 55 | Low | 58.2 | Low | 114 Ų | 114 | 138.7 Ų | 138.7 | 70% | 0.699 | 72% | 0.719 | S | S | * | * | | | trans | -59.7 | 101.8 | 159.8 | -60.2 | 0 | 0 | 0 | 0 | 106 | Q54 T58 | Q54-T56 VanDerWaalsContact C-N 3.33Å; Q54-T56 PolarHBondContact O-N 3.23Å; Q54-T56 VanDerWaalsContact O-N 3.11Å; T56-T58 PolarHBondContact O-N 3.48Å; T56-T58 VanDerWaalsContact O-N 3.1Å |
| 57 | V | 50.7 | Low | 58.4 | Low | 119 Ų | 119 | 139.5 Ų | 139.5 | 72% | 0.721 | 72% | 0.722 | S | S | * | * | | | trans | -70.2 | 104.5 | 168.6 | 177.4 | 0 | 0 | 0 | 0 | 105.8 | I55 | I55-V57 VanDerWaalsContact C-N 3.3Å; I55-V57 HydrophobicContact CG2-CG2 4.25Å; I55-V57 PolarHBondContact O-N 3.05Å |
| 58 | T | 57.5 | Low | 58.4 | Low | 119 Ų | 119 | 141.3 Ų | 141.3 | 73% | 0.73 | 74% | 0.74 | S | S | * | * | | | trans | -58.4 | 127 | 164.1 | -6 | 0 | 0 | 0 | 0 | 107.6 | T56 | T56-T58 PolarHBondContact O-N 3.48Å; T56-T58 VanDerWaalsContact O-N 3.1Å |
| 59 | P | 59.8 | Low | 58.3 | Low | 99 Ų | 99 | 142.3 Ų | 142.3 | 64% | 0.643 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -70.8 | 159 | 176.7 | 30.3 | -31.7 | 0 | 0 | 0 | 109.9 | | |
| 60 | E | 58.8 | Low | 58.3 | Low | 155 Ų | 155 | 138.2 Ų | 138.2 | 72% | 0.724 | 73% | 0.729 | S | S | * | * | | | trans | 84.1 | 67.3 | 171.5 | -44.9 | -60.7 | 142.7 | 0 | 0 | 116.3 | | |
| 61 | A | 61.3 | Low | 58.4 | Low | 41 Ų | 41 | 139.8 Ų | 139.8 | 34% | 0.339 | 73% | 0.73 | S | S | . | * | | | trans | -89.3 | 114.8 | 155.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | W63 I64 | A61-W63 VanDerWaalsContact CB-NE1 3.28Å; A61-W63 PolarHBondContact O-N 2.97Å; A61-I64 PolarHBondContact O-N 3.48Å |
| 62 | P | 61 | Low | 58.3 | Low | 117 Ų | 117 | 137.9 Ų | 137.9 | 76% | 0.76 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -9.9 | -166.9 | -25.8 | 32.7 | 0 | 0 | 0 | 116.6 | | |
| 63 | W | 58 | Low | 58.5 | Low | 164 Ų | 164 | 134.6 Ų | 134.6 | 62% | 0.621 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -14 | -175 | 62.6 | -94.3 | 0 | 0 | 0 | 113.8 | A61 H65 K66 L67 | A61-W63 VanDerWaalsContact CB-NE1 3.28Å; A61-W63 PolarHBondContact O-N 2.97Å; W63-H65 VanDerWaalsContact C-N 3.27Å; W63-H65 PolarHBondContact O-N 2.73Å; W63-K66 PolarHBondContact O-N 3.01Å; W63-L67 HydrophobicContact CE3-CD1 4.26Å; W63-L67 HydrophobicContact CZ3-CD1 3.84Å |
| 64 | I | 62.2 | Low | 58.6 | Low | 101 Ų | 101 | 137.8 Ų | 137.8 | 52% | 0.518 | 72% | 0.721 | S | S | . | * | G | 310 helix | trans | -66.2 | -28 | -175.4 | -64.6 | 173.4 | 0 | 0 | 0 | 112 | A61 K66 | A61-I64 PolarHBondContact O-N 3.48Å; I64-K66 PolarHBondContact O-N 2.81Å; I64-K66 VanDerWaalsContact O-N 3.17Å |
| 65 | H | 61.1 | Low | 58.7 | Low | 150 Ų | 150 | 134.4 Ų | 134.4 | 69% | 0.694 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -70.3 | -5.7 | 176.9 | -61.8 | -71 | 0 | 0 | 0 | 115 | W63 | W63-H65 VanDerWaalsContact C-N 3.27Å; W63-H65 PolarHBondContact O-N 2.73Å |
| 66 | K | 60.9 | Low | 58.9 | Low | 189 Ų | 189 | 133.2 Ų | 133.2 | 82% | 0.822 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -91.2 | -2.2 | 179.4 | -91.9 | -173.9 | -179.6 | -118.2 | 0 | 114.8 | W63 I64 | W63-K66 PolarHBondContact O-N 3.01Å; I64-K66 PolarHBondContact O-N 2.81Å; I64-K66 VanDerWaalsContact O-N 3.17Å |
| 67 | L | 60.9 | Low | 59.3 | Low | 139 Ų | 139 | 134.8 Ų | 134.8 | 73% | 0.728 | 71% | 0.707 | S | S | * | * | | | trans | -110.6 | 4.4 | -173.6 | -76.8 | 167.5 | 0 | 0 | 0 | 114.7 | W63 | W63-L67 HydrophobicContact CE3-CD1 4.26Å; W63-L67 HydrophobicContact CZ3-CD1 3.84Å |
| 68 | L | 59 | Low | 60.1 | Low | 225 Ų | 225 | 136.3 Ų | 136.3 | 100% | 1.178 | 71% | 0.705 | S | S | * | * | | | trans | -108.4 | 0 | 167.6 | -78.5 | 163.4 | 0 | 0 | 0 | 109.1 | | |