| 1 | M | 49.3 | Very low | 65.8 | Low | 241 Ų | 241 | 161 Ų | 161 | 100% | 1.187 | 77% | 0.774 | S | S | * | * | | | | 0 | 112.6 | 0 | -168.1 | 104.4 | 120.1 | 0 | 0 | 108.4 | | |
| 2 | V | 73 | Confident | 64.9 | Low | 137 Ų | 137 | 154 Ų | 154 | 83% | 0.83 | 75% | 0.749 | S | S | * | * | | | trans | -111.9 | 134.7 | 178.6 | 176.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 3 | R | 74.9 | Confident | 64.3 | Low | 220 Ų | 220 | 149.4 Ų | 149.4 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | | | trans | -93.8 | 117.6 | 178 | -68 | 172.3 | 67.3 | -178.8 | 1.8 | 109.5 | | |
| 4 | L | 77.9 | Confident | 63.7 | Low | 176 Ų | 176 | 153.9 Ų | 153.9 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | | | trans | -72.3 | 133.2 | 163.3 | -88.1 | 90.7 | 0 | 0 | 0 | 109.2 | | |
| 5 | V | 71.7 | Confident | 62.9 | Low | 102 Ų | 102 | 151.5 Ų | 151.5 | 62% | 0.618 | 76% | 0.764 | S | S | * | * | | | trans | -121.9 | 118.9 | 178.2 | -176.2 | 0 | 0 | 0 | 0 | 109.2 | R7 | V5-R7 HydrophobicContact CG1-CG 4.21Å; V5-R7 PolarHBondContact O-N 2.94Å |
| 6 | F | 75.1 | Confident | 62.2 | Low | 181 Ų | 181 | 149.8 Ų | 149.8 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | | | trans | -71.4 | 116.6 | 175.6 | -175.6 | -114.1 | 0 | 0 | 0 | 110 | P8 | F6-P8 HydrophobicContact CD1-CB 4.32Å; F6-P8 HydrophobicContact CD1-CG 3.89Å; F6-P8 HydrophobicContact CE1-CB 3.59Å; F6-P8 HydrophobicContact CE1-CG 3.53Å; F6-P8 HydrophobicContact CZ-CB 3.76Å; F6-P8 HydrophobicContact CZ-CG 4.22Å; F6-P8 WeakPolarHBondContact O-CD 3.27Å |
| 7 | R | 69.4 | Low | 61.5 | Low | 190 Ų | 190 | 145.7 Ų | 145.7 | 72% | 0.717 | 74% | 0.744 | S | S | * | * | | | trans | -122.1 | 79.8 | 176.6 | -66.4 | -164.6 | 163.1 | -160.3 | -4.5 | 110.2 | V5 Y9 A10 | V5-R7 HydrophobicContact CG1-CG 4.21Å; V5-R7 PolarHBondContact O-N 2.94Å; R7-Y9 PolarHBondContact O-N 2.88Å; R7-A10 HydrophobicContact CB-CB 3.56Å; R7-A10 PolarHBondContact O-N 3.17Å |
| 8 | P | 65.2 | Low | 60.9 | Low | 69 Ų | 69 | 144.9 Ų | 144.9 | 45% | 0.448 | 75% | 0.747 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63 | -6.3 | -173.5 | 22.3 | -30.4 | 0 | 0 | 0 | 114.7 | F6 | F6-P8 HydrophobicContact CD1-CB 4.32Å; F6-P8 HydrophobicContact CD1-CG 3.89Å; F6-P8 HydrophobicContact CE1-CB 3.59Å; F6-P8 HydrophobicContact CE1-CG 3.53Å; F6-P8 HydrophobicContact CZ-CB 3.76Å; F6-P8 HydrophobicContact CZ-CG 4.22Å; F6-P8 WeakPolarHBondContact O-CD 3.27Å |
| 9 | Y | 52.5 | Low | 60.5 | Low | 206 Ų | 206 | 141.3 Ų | 141.3 | 81% | 0.808 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.1 | 13.6 | -179.2 | -49.1 | -67.2 | 0 | 0 | 0 | 112.1 | R7 Q11 | R7-Y9 PolarHBondContact O-N 2.88Å; Y9-Q11 PolarHBondContact O-N 3.01Å |
| 10 | A | 61.4 | Low | 60.3 | Low | 56 Ų | 56 | 139.4 Ų | 139.4 | 46% | 0.463 | 73% | 0.731 | S | S | . | * | | | trans | -64.1 | 106.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | R7 V12 | R7-A10 HydrophobicContact CB-CB 3.56Å; R7-A10 PolarHBondContact O-N 3.17Å; A10-V12 PolarHBondContact O-N 3.44Å |
| 11 | Q | 53.2 | Low | 59.9 | Low | 193 Ų | 193 | 139.1 Ų | 139.1 | 90% | 0.902 | 74% | 0.737 | S | S | * | * | | | trans | -62.6 | 121.1 | 172.9 | -68.9 | 177.7 | 3 | 0 | 0 | 108.1 | Y9 | Y9-Q11 PolarHBondContact O-N 3.01Š|
| 12 | V | 56 | Low | 60.2 | Low | 77 Ų | 77 | 134.9 Ų | 134.9 | 47% | 0.467 | 72% | 0.719 | S | S | . | * | | | trans | -70.8 | 130.5 | 172.7 | -173.5 | 0 | 0 | 0 | 0 | 107.2 | A10 R14 I16 | A10-V12 PolarHBondContact O-N 3.44Å; V12-R14 CarbonylContact C-O 3.5Å; V12-R14 WeakPolarHBondContact CB-O 3.46Å; V12-R14 HydrophobicContact CG1-CB 3.77Å; V12-R14 HydrophobicContact CG1-CG 4.42Å; V12-R14 CarbonylContact O-C 3.55Å; V12-R14 PolarHBondContact O-N 3.02Å; V12-R14 VanDerWaalsContact O-N 3.08Å; V12-I16 HydrophobicContact CB-CD1 4.02Å; V12-I16 HydrophobicContact CB-CG1 4.14Å; V12-I16 HydrophobicContact CG2-CD1 3.49Å; V12-I16 VanDerWaalsContact CG2-CD1 3.49Å; V12-I16 HydrophobicContact CG2-CG1 4.18Å |
| 13 | G | 55.9 | Low | 59.2 | Low | 94 Ų | 94 | 139.6 Ų | 139.6 | 97% | 0.969 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 6.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 14 | R | 56.3 | Low | 57.8 | Low | 213 Ų | 213 | 135.8 Ų | 135.8 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | 130.1 | 160.2 | -67.7 | 176.8 | 168.6 | 161.2 | -3.2 | 105.7 | V12 I16 | V12-R14 CarbonylContact C-O 3.5Å; V12-R14 WeakPolarHBondContact CB-O 3.46Å; V12-R14 HydrophobicContact CG1-CB 3.77Å; V12-R14 HydrophobicContact CG1-CG 4.42Å; V12-R14 CarbonylContact O-C 3.55Å; V12-R14 PolarHBondContact O-N 3.02Å; V12-R14 VanDerWaalsContact O-N 3.08Å; R14-I16 PolarHBondContact O-N 3.09Å |
| 15 | V | 52 | Low | 56.7 | Low | 117 Ų | 117 | 132.8 Ų | 132.8 | 71% | 0.709 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51 | 97.2 | -170.5 | -178.1 | 0 | 0 | 0 | 0 | 111.6 | C17 | V15-C17 VanDerWaalsContact C-N 3.26Å; V15-C17 VanDerWaalsContact CG1-N 3.35Å |
| 16 | I | 51.9 | Low | 56.1 | Low | 125 Ų | 125 | 134.4 Ų | 134.4 | 64% | 0.641 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -91.3 | 86.3 | 144.1 | -54.9 | -176.7 | 0 | 0 | 0 | 103.9 | V12 R14 T18 | V12-I16 HydrophobicContact CB-CD1 4.02Å; V12-I16 HydrophobicContact CB-CG1 4.14Å; V12-I16 HydrophobicContact CG2-CD1 3.49Å; V12-I16 VanDerWaalsContact CG2-CD1 3.49Å; V12-I16 HydrophobicContact CG2-CG1 4.18Å; R14-I16 PolarHBondContact O-N 3.09Å; I16-T18 PolarHBondContact O-N 3.19Å |
| 17 | C | 49.3 | Very low | 55.2 | Low | 80 Ų | 80 | 137 Ų | 137 | 54% | 0.541 | 73% | 0.732 | S | S | . | * | | | trans | 42.1 | 65.3 | 158.2 | 32.7 | 0 | 0 | 0 | 0 | 118.2 | V15 S19 | V15-C17 VanDerWaalsContact C-N 3.26Å; V15-C17 VanDerWaalsContact CG1-N 3.35Å; C17-S19 VanDerWaalsContact CA-N 3.29Å; C17-S19 WeakPolarHBondContact CA-OG 2.89Å; C17-S19 WeakPolarHBondContact CB-OG 3.48Å; C17-S19 PolarHBondContact O-N 2.83Å |
| 18 | T | 51.1 | Low | 54.9 | Low | 131 Ų | 131 | 132.1 Ų | 132.1 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | | | trans | -66.7 | 16.5 | 132.5 | 47 | 0 | 0 | 0 | 0 | 112.4 | I16 T20 | I16-T18 PolarHBondContact O-N 3.19Å; T18-T20 PolarHBondContact O-N 2.97Å |
| 19 | S | 53.6 | Low | 55 | Low | 77 Ų | 77 | 133.2 Ų | 133.2 | 54% | 0.538 | 73% | 0.732 | S | S | . | * | S | Bend | trans | -68.2 | 83.3 | 155.2 | 66 | 0 | 0 | 0 | 0 | 108.1 | C17 | C17-S19 VanDerWaalsContact CA-N 3.29Å; C17-S19 WeakPolarHBondContact CA-OG 2.89Å; C17-S19 WeakPolarHBondContact CB-OG 3.48Å; C17-S19 PolarHBondContact O-N 2.83Å |
| 20 | T | 55.8 | Low | 55.7 | Low | 102 Ų | 102 | 129.9 Ų | 129.9 | 63% | 0.626 | 74% | 0.739 | S | S | * | * | | | trans | 57.4 | 130.3 | 165 | 56.2 | 0 | 0 | 0 | 0 | 118.1 | T18 L22 | T18-T20 PolarHBondContact O-N 2.97Å; T20-L22 PolarHBondContact O-N 2.94Å |
| 21 | P | 52.3 | Low | 56.1 | Low | 134 Ų | 134 | 130 Ų | 130 | 87% | 0.87 | 75% | 0.746 | S | S | * | * | | | trans | -79.6 | 87.3 | -175.9 | 33.9 | -32.7 | 0 | 0 | 0 | 110.4 | | |
| 22 | L | 56.7 | Low | 56.9 | Low | 152 Ų | 152 | 126.6 Ų | 126.6 | 80% | 0.796 | 73% | 0.729 | S | S | * | * | | | trans | -98.7 | 94.4 | 173.1 | -94.8 | 88 | 0 | 0 | 0 | 111.1 | T20 | T20-L22 PolarHBondContact O-N 2.94Š|
| 23 | R | 50.4 | Low | 57.4 | Low | 236 Ų | 236 | 128.1 Ų | 128.1 | 89% | 0.891 | 74% | 0.738 | S | S | * | * | | | trans | 44.8 | 117.5 | 159.4 | -90.9 | -173.8 | 152.3 | -149.2 | -3.1 | 118.4 | S25 | R23-S25 PolarHBondContact O-N 2.8Å; R23-S25 VanDerWaalsContact O-N 3.09Å |
| 24 | T | 46.5 | Very low | 57.9 | Low | 141 Ų | 141 | 130.2 Ų | 130.2 | 87% | 0.865 | 73% | 0.726 | S | S | * | * | | | trans | -51.7 | 104.4 | 167.8 | 43.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 25 | S | 54.4 | Low | 58.2 | Low | 112 Ų | 112 | 126.4 Ų | 126.4 | 78% | 0.783 | 72% | 0.721 | S | S | * | * | | | trans | -130.4 | 32.7 | -176.7 | -162.2 | 0 | 0 | 0 | 0 | 115.3 | R23 | R23-S25 PolarHBondContact O-N 2.8Å; R23-S25 VanDerWaalsContact O-N 3.09Å |
| 26 | T | 59 | Low | 58.7 | Low | 137 Ų | 137 | 129.4 Ų | 129.4 | 84% | 0.84 | 73% | 0.729 | S | S | * | * | | | trans | -104.4 | 52.9 | 157.7 | 9.7 | 0 | 0 | 0 | 0 | 109.9 | V28 | T26-V28 VanDerWaalsContact C-N 3.3Å; T26-V28 PolarHBondContact O-N 3.38Å |
| 27 | R | 57.2 | Low | 59 | Low | 234 Ų | 234 | 130.1 Ų | 130.1 | 88% | 0.883 | 73% | 0.73 | S | S | * | * | | | trans | -77.1 | 94.3 | 155.3 | -73.6 | -167 | 177.6 | -179.2 | -0.2 | 106.6 | S29 | R27-S29 PolarHBondContact O-N 3.39Š|
| 28 | V | 62.8 | Low | 59.3 | Low | 88 Ų | 88 | 132 Ų | 132 | 53% | 0.533 | 74% | 0.744 | S | S | . | * | | | trans | -61.5 | 129.7 | 163.2 | -106.4 | 0 | 0 | 0 | 0 | 107.6 | T26 F32 | T26-V28 VanDerWaalsContact C-N 3.3Å; T26-V28 PolarHBondContact O-N 3.38Å; V28-F32 HydrophobicContact CB-CB 3.91Å; V28-F32 HydrophobicContact CB-CD1 4.17Å; V28-F32 HydrophobicContact CB-CG 4.06Å; V28-F32 HydrophobicContact CG1-CB 3.73Å; V28-F32 HydrophobicContact CG1-CD1 3.33Å; V28-F32 HydrophobicContact CG1-CD2 3.71Å; V28-F32 HydrophobicContact CG1-CE1 3.7Å; V28-F32 HydrophobicContact CG1-CE2 4.08Å; V28-F32 HydrophobicContact CG1-CG 3.31Å; V28-F32 HydrophobicContact CG1-CZ 4.06Å |
| 29 | S | 67.5 | Low | 59.5 | Low | 92 Ų | 92 | 129 Ų | 129 | 64% | 0.643 | 73% | 0.728 | S | S | * | * | | | trans | -56.7 | 148.3 | 174.2 | -179.8 | 0 | 0 | 0 | 0 | 109.6 | R27 G31 F32 | R27-S29 PolarHBondContact O-N 3.39Å; S29-G31 PolarHBondContact O-N 2.92Å; S29-F32 VanDerWaalsContact O-CB 3.27Å; S29-F32 WeakPolarHBondContact O-CB 3.46Å; S29-F32 PolarHBondContact O-N 2.91Å |
| 30 | S | 67.2 | Low | 59.6 | Low | 137 Ų | 137 | 131.7 Ų | 131.7 | 96% | 0.958 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -8.9 | -177.3 | 57.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 31 | G | 68.7 | Low | 59.8 | Low | 59 Ų | 59 | 131.5 Ų | 131.5 | 61% | 0.608 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | 15.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | S29 V33 | S29-G31 PolarHBondContact O-N 2.92Å; G31-V33 PolarHBondContact O-N 3.21Å |
| 32 | F | 70.3 | Confident | 59.8 | Low | 121 Ų | 121 | 135.2 Ų | 135.2 | 53% | 0.531 | 75% | 0.749 | S | S | . | * | | | trans | -71.4 | 98.4 | 178.2 | -174.6 | -101.8 | 0 | 0 | 0 | 110.7 | V28 S29 L34 | V28-F32 HydrophobicContact CB-CB 3.91Å; V28-F32 HydrophobicContact CB-CD1 4.17Å; V28-F32 HydrophobicContact CB-CG 4.06Å; V28-F32 HydrophobicContact CG1-CB 3.73Å; V28-F32 HydrophobicContact CG1-CD1 3.33Å; V28-F32 HydrophobicContact CG1-CD2 3.71Å; V28-F32 HydrophobicContact CG1-CE1 3.7Å; V28-F32 HydrophobicContact CG1-CE2 4.08Å; V28-F32 HydrophobicContact CG1-CG 3.31Å; V28-F32 HydrophobicContact CG1-CZ 4.06Å; S29-F32 VanDerWaalsContact O-CB 3.27Å; S29-F32 WeakPolarHBondContact O-CB 3.46Å; S29-F32 PolarHBondContact O-N 2.91Å; F32-L34 HydrophobicContact CD1-CD2 4.45Å; F32-L34 HydrophobicContact CD1-CG 4.21Å; F32-L34 HydrophobicContact CE1-CD1 4.23Å; F32-L34 HydrophobicContact CE1-CD2 3.34Å; F32-L34 HydrophobicContact CE1-CG 3.46Å; F32-L34 VanDerWaalsContact CE1-CG 3.46Å; F32-L34 HydrophobicContact CZ-CD2 3.4Å; F32-L34 VanDerWaalsContact CZ-CD2 3.4Å; F32-L34 HydrophobicContact CZ-CG 4.06Å |
| 33 | V | 66.3 | Low | 59.5 | Low | 109 Ų | 109 | 131 Ų | 131 | 66% | 0.661 | 74% | 0.743 | S | S | * | * | | | trans | -99.8 | 114.6 | 170.8 | -178.7 | 0 | 0 | 0 | 0 | 107.7 | G31 L35 | G31-V33 PolarHBondContact O-N 3.21Å; V33-L35 HydrophobicContact CG1-CD1 4.31Å; V33-L35 PolarHBondContact O-N 3.4Å |
| 34 | L | 67.4 | Low | 59.7 | Low | 138 Ų | 138 | 124.6 Ų | 124.6 | 72% | 0.723 | 73% | 0.734 | S | S | * | * | | | trans | -66.7 | 102.1 | 169.6 | -75 | 171 | 0 | 0 | 0 | 108.3 | F32 M36 | F32-L34 HydrophobicContact CD1-CD2 4.45Å; F32-L34 HydrophobicContact CD1-CG 4.21Å; F32-L34 HydrophobicContact CE1-CD1 4.23Å; F32-L34 HydrophobicContact CE1-CD2 3.34Å; F32-L34 HydrophobicContact CE1-CG 3.46Å; F32-L34 VanDerWaalsContact CE1-CG 3.46Å; F32-L34 HydrophobicContact CZ-CD2 3.4Å; F32-L34 VanDerWaalsContact CZ-CD2 3.4Å; F32-L34 HydrophobicContact CZ-CG 4.06Å; L34-M36 PolarHBondContact O-N 2.95Å |
| 35 | L | 62.4 | Low | 60.5 | Low | 132 Ų | 132 | 124.7 Ų | 124.7 | 69% | 0.691 | 73% | 0.734 | S | S | * | * | | | trans | -66.2 | 117.5 | 174.8 | -115.5 | 74.4 | 0 | 0 | 0 | 108.8 | V33 H37 | V33-L35 HydrophobicContact CG1-CD1 4.31Å; V33-L35 PolarHBondContact O-N 3.4Å; L35-H37 PolarHBondContact O-N 3.03Å |
| 36 | M | 61.8 | Low | 60.8 | Low | 180 Ų | 180 | 130.4 Ų | 130.4 | 89% | 0.887 | 74% | 0.738 | S | S | * | * | | | trans | -73.3 | 58.9 | 175.9 | -117.2 | -105.2 | -72.4 | 0 | 0 | 109.9 | L34 | L34-M36 PolarHBondContact O-N 2.95Š|
| 37 | H | 58 | Low | 61 | Low | 141 Ų | 141 | 127.8 Ų | 127.8 | 65% | 0.653 | 73% | 0.731 | S | S | * | * | | | trans | -120.3 | 95.6 | 175.8 | -69.5 | -73.2 | 0 | 0 | 0 | 109.6 | L35 S39 | L35-H37 PolarHBondContact O-N 3.03Å; H37-S39 PolarHBondContact O-N 2.92Å |
| 38 | S | 56.1 | Low | 61.4 | Low | 119 Ų | 119 | 122.5 Ų | 122.5 | 83% | 0.832 | 73% | 0.727 | S | S | * | * | | | trans | -61.1 | 86.7 | 156.3 | 17 | 0 | 0 | 0 | 0 | 108.5 | P40 | S38-P40 WeakPolarHBondContact O-CD 3.44Š|
| 39 | S | 54.4 | Low | 61.5 | Low | 68 Ų | 68 | 122.2 Ų | 122.2 | 48% | 0.476 | 73% | 0.729 | S | S | . | * | | | trans | -69.6 | 125 | 171.6 | -75.5 | 0 | 0 | 0 | 0 | 109.4 | H37 S41 F42 | H37-S39 PolarHBondContact O-N 2.92Å; S39-S41 PolarHBondContact O-N 3.36Å; S39-F42 PolarHBondContact O-N 3.33Å |
| 40 | P | 57.3 | Low | 61.5 | Low | 134 Ų | 134 | 124 Ų | 124 | 87% | 0.87 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -8 | 173.4 | -18.2 | 30.2 | 0 | 0 | 0 | 113.3 | S38 F42 | S38-P40 WeakPolarHBondContact O-CD 3.44Å; P40-F42 VanDerWaalsContact C-N 3.28Å; P40-F42 PolarHBondContact O-N 2.93Å |
| 41 | S | 58.1 | Low | 61.1 | Low | 97 Ų | 97 | 125.1 Ų | 125.1 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 1.9 | -179.1 | -46.9 | 0 | 0 | 0 | 0 | 115 | S39 G43 | S39-S41 PolarHBondContact O-N 3.36Å; S41-G43 PolarHBondContact O-N 3.39Å |
| 42 | F | 53.4 | Low | 60.6 | Low | 213 Ų | 213 | 128 Ų | 128 | 93% | 0.934 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -70.6 | 74.6 | 164.4 | -102.6 | -88.2 | 0 | 0 | 0 | 109.1 | S39 P40 | S39-F42 PolarHBondContact O-N 3.33Å; P40-F42 VanDerWaalsContact C-N 3.28Å; P40-F42 PolarHBondContact O-N 2.93Å |
| 43 | G | 50.3 | Low | 60.1 | Low | 64 Ų | 64 | 132.9 Ų | 132.9 | 66% | 0.66 | 75% | 0.753 | S | S | * | * | | | trans | 157.1 | 79.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | S41 | S41-G43 PolarHBondContact O-N 3.39Š|
| 44 | S | 55.2 | Low | 59.8 | Low | 100 Ų | 100 | 133.3 Ų | 133.3 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | | | trans | -147.8 | 108.6 | 131.8 | 67.4 | 0 | 0 | 0 | 0 | 108 | R46 | S44-R46 VanDerWaalsContact C-N 3.32Å; S44-R46 PolarHBondContact O-N 3.26Å |
| 45 | V | 63.1 | Low | 59.4 | Low | 144 Ų | 144 | 135.9 Ų | 135.9 | 87% | 0.873 | 76% | 0.764 | S | S | * | * | | | trans | -57.7 | 104.1 | 157.7 | 176.1 | 0 | 0 | 0 | 0 | 105 | A47 | V45-A47 PolarHBondContact O-N 3.09Å; V45-A47 VanDerWaalsContact O-N 3.09Å |
| 46 | R | 60.5 | Low | 59 | Low | 231 Ų | 231 | 133 Ų | 133 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | | | trans | -63.1 | 114.7 | 168.3 | -93.1 | -179.9 | -177 | 154.5 | 1.7 | 106.4 | S44 | S44-R46 VanDerWaalsContact C-N 3.32Å; S44-R46 PolarHBondContact O-N 3.26Å |
| 47 | A | 63.2 | Low | 59 | Low | 82 Ų | 82 | 127.9 Ų | 127.9 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 142 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | V45 S49 | V45-A47 PolarHBondContact O-N 3.09Å; V45-A47 VanDerWaalsContact O-N 3.09Å; A47-S49 PolarHBondContact O-N 2.98Å |
| 48 | P | 64.4 | Low | 59.3 | Low | 123 Ų | 123 | 126.8 Ų | 126.8 | 80% | 0.799 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 128.4 | 178.8 | 22.5 | -30 | 0 | 0 | 0 | 109.5 | | |
| 49 | S | 65.6 | Low | 59.3 | Low | 83 Ų | 83 | 128.3 Ų | 128.3 | 58% | 0.58 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -62 | 132.5 | 176.1 | -152.7 | 0 | 0 | 0 | 0 | 109.2 | A47 L51 V52 | A47-S49 PolarHBondContact O-N 2.98Å; S49-L51 PolarHBondContact O-N 2.76Å; S49-V52 PolarHBondContact O-N 3.2Å |
| 50 | P | 67 | Low | 59.1 | Low | 130 Ų | 130 | 128.5 Ų | 128.5 | 84% | 0.844 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | 3.8 | -172.5 | 26.4 | -33.4 | 0 | 0 | 0 | 114.7 | | |
| 51 | L | 59.5 | Low | 58.3 | Low | 160 Ų | 160 | 135.2 Ų | 135.2 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | 1 | -179.4 | -78.5 | 170 | 0 | 0 | 0 | 114.9 | S49 R53 | S49-L51 PolarHBondContact O-N 2.76Å; L51-R53 PolarHBondContact O-N 2.87Å |
| 52 | V | 58.7 | Low | 57.9 | Low | 119 Ų | 119 | 135 Ų | 135 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -90.1 | 96.7 | 168.2 | -176 | 0 | 0 | 0 | 0 | 107.2 | S49 | S49-V52 PolarHBondContact O-N 3.2Š|
| 53 | R | 60.2 | Low | 57.3 | Low | 223 Ų | 223 | 128.5 Ų | 128.5 | 84% | 0.842 | 76% | 0.755 | S | S | * | * | | | trans | -45.3 | 126.3 | 163.1 | -66.9 | 174.7 | 86.1 | -141.9 | 7.6 | 106.1 | L51 F55 | L51-R53 PolarHBondContact O-N 2.87Å; R53-F55 PolarHBondContact O-N 3.08Å |
| 54 | P | 58.5 | Low | 57.5 | Low | 119 Ų | 119 | 132.3 Ų | 132.3 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | | | trans | -53.6 | 122.4 | 170.8 | -14.7 | 26.5 | 0 | 0 | 0 | 105.3 | A56 | P54-A56 VanDerWaalsContact C-N 3.32Å; P54-A56 PolarHBondContact O-N 3Å |
| 55 | F | 59.1 | Low | 56.9 | Low | 192 Ų | 192 | 131.4 Ų | 131.4 | 84% | 0.842 | 76% | 0.764 | S | S | * | * | | | trans | -52.6 | 111.3 | 163.9 | 178.3 | -98.2 | 0 | 0 | 0 | 104.4 | R53 A57 | R53-F55 PolarHBondContact O-N 3.08Å; F55-A57 PolarHBondContact O-N 2.78Å |
| 56 | A | 55.6 | Low | 55.9 | Low | 71 Ų | 71 | 129.7 Ų | 129.7 | 59% | 0.587 | 77% | 0.765 | S | S | * | * | | | trans | -47.5 | 131.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | P54 | P54-A56 VanDerWaalsContact C-N 3.32Å; P54-A56 PolarHBondContact O-N 3Å |
| 57 | A | 61.9 | Low | 55.8 | Low | 73 Ų | 73 | 124.4 Ų | 124.4 | 60% | 0.603 | 76% | 0.758 | S | S | * | * | | | trans | -45.2 | 140 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | F55 D59 | F55-A57 PolarHBondContact O-N 2.78Å; A57-D59 VanDerWaalsContact C-N 3.32Å; A57-D59 PolarHBondContact O-N 3.24Å |
| 58 | P | 63.7 | Low | 55.3 | Low | 118 Ų | 118 | 127 Ų | 127 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | | | trans | -59.1 | 105.1 | 173.3 | 24.3 | -30.3 | 0 | 0 | 0 | 106.9 | A60 | P58-A60 PolarHBondContact O-N 3.13Å; P58-A60 VanDerWaalsContact O-N 3.13Å |
| 59 | D | 55.5 | Low | 54.7 | Low | 151 Ų | 151 | 127.1 Ų | 127.1 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | | | trans | -52.7 | 121.4 | 169.5 | -75.6 | -45.4 | 0 | 0 | 0 | 106.6 | A57 | A57-D59 VanDerWaalsContact C-N 3.32Å; A57-D59 PolarHBondContact O-N 3.24Å |
| 60 | A | 49.4 | Very low | 54.1 | Low | 71 Ų | 71 | 126.6 Ų | 126.6 | 59% | 0.587 | 76% | 0.762 | S | S | * | * | | | trans | 26.5 | 113.4 | 156.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | P58 S62 | P58-A60 PolarHBondContact O-N 3.13Å; P58-A60 VanDerWaalsContact O-N 3.13Å; A60-S62 VanDerWaalsContact CB-OG 3.3Å; A60-S62 WeakPolarHBondContact CB-OG 3.3Å; A60-S62 PolarHBondContact O-N 3.14Å |
| 61 | W | 41.8 | Very low | 53.6 | Low | 276 Ų | 276 | 125 Ų | 125 | 100% | 1.045 | 76% | 0.76 | S | S | * | * | | | trans | -55.2 | 83.7 | 143.9 | -75.2 | -47.3 | 0 | 0 | 0 | 108.6 | | |
| 62 | S | 48.3 | Very low | 53.8 | Low | 93 Ų | 93 | 122.9 Ų | 122.9 | 65% | 0.65 | 76% | 0.756 | S | S | * | * | | | trans | -106.7 | 120.2 | 170.3 | -69.2 | 0 | 0 | 0 | 0 | 106.2 | A60 | A60-S62 VanDerWaalsContact CB-OG 3.3Å; A60-S62 WeakPolarHBondContact CB-OG 3.3Å; A60-S62 PolarHBondContact O-N 3.14Å |
| 63 | G | 42.3 | Very low | 53.7 | Low | 76 Ų | 76 | 125.7 Ų | 125.7 | 78% | 0.784 | 77% | 0.766 | S | S | * | * | | | trans | -57.1 | 153.2 | -161.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 64 | T | 54 | Low | 53.3 | Low | 143 Ų | 143 | 120.9 Ų | 120.9 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | | | trans | -148.1 | 129.4 | 147.9 | -7.3 | 0 | 0 | 0 | 0 | 109 | | |
| 65 | A | 42.6 | Very low | 53.1 | Low | 82 Ų | 82 | 118.9 Ų | 118.9 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | | | trans | 68.2 | 79 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | T67 | A65-T67 PolarHBondContact O-N 2.68Å; A65-T67 VanDerWaalsContact O-N 3.14Å |
| 66 | A | 42.4 | Very low | 53.1 | Low | 107 Ų | 107 | 120.5 Ų | 120.5 | 88% | 0.884 | 76% | 0.759 | S | S | * | * | | | trans | -52.1 | 111.3 | 134.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 67 | T | 57.3 | Low | 53.1 | Low | 120 Ų | 120 | 124.1 Ų | 124.1 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | | | trans | -128 | 82.9 | 159.5 | -57.2 | 0 | 0 | 0 | 0 | 105.5 | A65 P69 | A65-T67 PolarHBondContact O-N 2.68Å; A65-T67 VanDerWaalsContact O-N 3.14Å; T67-P69 WeakPolarHBondContact O-CD 3.4Å |
| 68 | D | 52.8 | Low | 53 | Low | 138 Ų | 138 | 127.7 Ų | 127.7 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | | | trans | -90.1 | 108.8 | 165.9 | -166.1 | -12.3 | 0 | 0 | 0 | 106.8 | A70 | D68-A70 PolarHBondContact O-N 3.06Š|
| 69 | P | 52.1 | Low | 52.7 | Low | 124 Ų | 124 | 133.5 Ų | 133.5 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | | | trans | -83.9 | 70.4 | 177.2 | 35 | -32.4 | 0 | 0 | 0 | 109.3 | T67 | T67-P69 WeakPolarHBondContact O-CD 3.4Š|
| 70 | A | 53.9 | Low | 52.8 | Low | 73 Ų | 73 | 137.4 Ų | 137.4 | 60% | 0.603 | 78% | 0.777 | S | S | * | * | | | trans | -139.4 | 56.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | D68 | D68-A70 PolarHBondContact O-N 3.06Š|
| 71 | A | 56.8 | Low | 53.3 | Low | 95 Ų | 95 | 142 Ų | 142 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | trans | -113.9 | 99.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | L73 | A71-L73 PolarHBondContact O-N 3.42Š|
| 72 | P | 62.3 | Low | 54.1 | Low | 116 Ų | 116 | 137 Ų | 137 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | | | trans | -76.1 | 117.9 | 161.3 | 23.9 | -15.8 | 0 | 0 | 0 | 108.4 | C74 | P72-C74 PolarHBondContact O-N 2.97Š|
| 73 | L | 57.5 | Low | 54.6 | Low | 179 Ų | 179 | 147.7 Ų | 147.7 | 94% | 0.937 | 80% | 0.801 | S | S | * | * | | | trans | -49.7 | 99.7 | 168.8 | -72.6 | 154.2 | 0 | 0 | 0 | 110.4 | A71 | A71-L73 PolarHBondContact O-N 3.42Š|
| 74 | C | 50.5 | Low | 55.2 | Low | 121 Ų | 121 | 151.3 Ų | 151.3 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -127.8 | 132.4 | 165 | -98.1 | 0 | 0 | 0 | 0 | 108.9 | P72 | P72-C74 PolarHBondContact O-N 2.97Š|
| 75 | A | 55.2 | Low | 55.2 | Low | 77 Ų | 77 | 151.7 Ų | 151.7 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | | | trans | 94.6 | 110.6 | 160.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 76 | R | 58.4 | Low | 56 | Low | 227 Ų | 227 | 155.6 Ų | 155.6 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | | | | 78.5 | 123.3 | 126.1 | -67.1 | 171.1 | -169.3 | -139.1 | 0.8 | 112.8 | | |
| 77 | H | 57.1 | Low | 56.8 | Low | 146 Ų | 146 | 158.4 Ų | 158.4 | 68% | 0.676 | 80% | 0.8 | S | S | * | * | | | | -177.2 | 139.4 | 50.5 | -144.3 | -128 | 0 | 0 | 0 | 107.9 | | |
| 78 | H | 59.9 | Low | 56.7 | Low | 149 Ų | 149 | 160.8 Ų | 160.8 | 69% | 0.69 | 80% | 0.804 | S | S | * | * | | | trans | 50.2 | 98.5 | 141.4 | -80.3 | -101.5 | 0 | 0 | 0 | 117.8 | | |
| 79 | R | 57.3 | Low | 57 | Low | 239 Ų | 239 | 162.3 Ų | 162.3 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | | | | 27.8 | 97.9 | 88.2 | -101.9 | -165.8 | -177.7 | 177.5 | 2.5 | 113.3 | | |
| 80 | R | 56.4 | Low | 57.3 | Low | 233 Ų | 233 | 165.1 Ų | 165.1 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | | | | 166.9 | 152.1 | 127.1 | -95.3 | -174.1 | 179.5 | -147.6 | 1.6 | 109.4 | | |
| 81 | Q | 61.2 | Low | 57.6 | Low | 168 Ų | 168 | 172.2 Ų | 172.2 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | | | trans | 84.7 | 120.1 | 178 | -56.2 | -156.6 | 11.2 | 0 | 0 | 112.4 | | |
| 82 | Q | 58.5 | Low | 57.7 | Low | 172 Ų | 172 | 178.6 Ų | 178.6 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | | | cis | -153 | 144.9 | 12.1 | -94.5 | 149 | 21.6 | 0 | 0 | 107.2 | | |
| 83 | R | 57.6 | Low | 57.2 | Low | 316 Ų | 316 | 184.3 Ų | 184.3 | 100% | 1.192 | 83% | 0.834 | S | S | * | * | | | trans | -111.6 | 0 | 160.9 | -155.9 | -174.5 | -161.7 | -90.6 | 3.5 | 106.3 | | |