| 1 | M | 78.1 | Confident | 90 | Very high | 206 Ų | 206 | 127.6 Ų | 127.6 | 100% | 1.015 | 64% | 0.64 | S | S | * | * | | | | 0 | -56.2 | 0 | -79.2 | -179.6 | 161.1 | 0 | 0 | 112.6 | R3 L4 V5 | M1-R3 PolarHBondContact O-N 3.3Å; M1-L4 WeakPolarHBondContact O-CB 3.41Å; M1-L4 PolarHBondContact O-N 2.9Å; M1-V5 PolarHBondContact O-N 2.82Å |
| 2 | M | 83.2 | Confident | 89.9 | Confident | 166 Ų | 166 | 124.6 Ų | 124.6 | 82% | 0.818 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -57.1 | -39.8 | -176.2 | -67.3 | -170.4 | 169.3 | 0 | 0 | 115.2 | L4 V5 V6 | M2-L4 VanDerWaalsContact C-N 3.25Å; M2-L4 PolarHBondContact O-N 3.25Å; M2-V5 PolarHBondContact O-N 3.14Å; M2-V5 VanDerWaalsContact O-N 3.17Å; M2-V6 WeakPolarHBondContact O-CG2 3.28Å; M2-V6 PolarHBondContact O-N 3.12Å |
| 3 | R | 89.6 | Confident | 89.7 | Confident | 224 Ų | 224 | 124.2 Ų | 124.2 | 85% | 0.845 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -58.2 | -37.3 | 175.2 | -71 | -175.9 | 177.4 | 161.9 | -1.5 | 113.1 | M1 L7 | M1-R3 PolarHBondContact O-N 3.3Å; R3-L7 VanDerWaalsContact O-CG 3.27Å; R3-L7 WeakPolarHBondContact O-CG 3.47Å; R3-L7 PolarHBondContact O-N 2.81Å; R3-L7 VanDerWaalsContact O-N 3.1Å |
| 4 | L | 91.6 | Very high | 89.4 | Confident | 115 Ų | 115 | 121.8 Ų | 121.8 | 60% | 0.602 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -68.9 | -40.1 | 178.4 | -119.3 | 163.6 | 0 | 0 | 0 | 111 | M1 M2 L7 L8 | M1-L4 WeakPolarHBondContact O-CB 3.41Å; M1-L4 PolarHBondContact O-N 2.9Å; M2-L4 VanDerWaalsContact C-N 3.25Å; M2-L4 PolarHBondContact O-N 3.25Å; L4-L7 PolarHBondContact O-N 3.19Å; L4-L8 VanDerWaalsContact O-CG 3.31Å; L4-L8 WeakPolarHBondContact O-CG 3.49Å; L4-L8 PolarHBondContact O-N 3.13Å |
| 5 | V | 93.6 | Very high | 89 | Confident | 82 Ų | 82 | 122.5 Ų | 122.5 | 50% | 0.497 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -63.1 | -44.5 | 176.1 | -178 | 0 | 0 | 0 | 0 | 111.2 | M1 M2 L7 L8 L9 | M1-V5 PolarHBondContact O-N 2.82Å; M2-V5 PolarHBondContact O-N 3.14Å; M2-V5 VanDerWaalsContact O-N 3.17Å; V5-L7 PolarHBondContact O-N 2.91Å; V5-L8 PolarHBondContact O-N 3.09Å; V5-L9 HydrophobicContact CG1-CD1 4.19Å; V5-L9 HydrophobicContact CG1-CG 4.49Å; V5-L9 WeakPolarHBondContact O-CG 3.34Å; V5-L9 PolarHBondContact O-N 3.04Å |
| 6 | V | 92.9 | Very high | 88.6 | Confident | 96 Ų | 96 | 126.4 Ų | 126.4 | 58% | 0.582 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -62.8 | -42.8 | 178.1 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | M2 L8 L9 F10 | M2-V6 WeakPolarHBondContact O-CG2 3.28Å; M2-V6 PolarHBondContact O-N 3.12Å; V6-L8 VanDerWaalsContact C-N 3.34Å; V6-L8 PolarHBondContact O-N 2.72Å; V6-L9 PolarHBondContact O-N 2.79Å; V6-F10 WeakPolarHBondContact O-CB 3.33Å; V6-F10 PolarHBondContact O-N 2.82Å |
| 7 | L | 93.2 | Very high | 88 | Confident | 118 Ų | 118 | 125.2 Ų | 125.2 | 62% | 0.618 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.4 | -38.8 | 177.5 | -70.7 | 172.6 | 0 | 0 | 0 | 112.3 | R3 L4 V5 S11 | R3-L7 VanDerWaalsContact O-CG 3.27Å; R3-L7 WeakPolarHBondContact O-CG 3.47Å; R3-L7 PolarHBondContact O-N 2.81Å; R3-L7 VanDerWaalsContact O-N 3.1Å; L4-L7 PolarHBondContact O-N 3.19Å; V5-L7 PolarHBondContact O-N 2.91Å; L7-S11 PolarHBondContact O-N 2.71Å; L7-S11 PolarHBondContact O-OG 2.94Å |
| 8 | L | 93.9 | Very high | 87.1 | Confident | 104 Ų | 104 | 126.2 Ų | 126.2 | 55% | 0.545 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -67.6 | -42.2 | 176.2 | -70.7 | 172.9 | 0 | 0 | 0 | 112.4 | L4 V5 V6 F10 S11 V12 | L4-L8 VanDerWaalsContact O-CG 3.31Å; L4-L8 WeakPolarHBondContact O-CG 3.49Å; L4-L8 PolarHBondContact O-N 3.13Å; V5-L8 PolarHBondContact O-N 3.09Å; V6-L8 VanDerWaalsContact C-N 3.34Å; V6-L8 PolarHBondContact O-N 2.72Å; L8-F10 VanDerWaalsContact C-N 3.34Å; L8-S11 PolarHBondContact O-N 2.84Å; L8-S11 PolarHBondContact O-OG 3.46Å; L8-V12 WeakPolarHBondContact O-CG2 3.37Å; L8-V12 PolarHBondContact O-N 2.72Å |
| 9 | L | 92.9 | Very high | 86.1 | Confident | 119 Ų | 119 | 122.9 Ų | 122.9 | 62% | 0.623 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.8 | -41.3 | 176.1 | -68.9 | 175.1 | 0 | 0 | 0 | 111.4 | V5 V6 V12 F13 | V5-L9 HydrophobicContact CG1-CD1 4.19Å; V5-L9 HydrophobicContact CG1-CG 4.49Å; V5-L9 WeakPolarHBondContact O-CG 3.34Å; V5-L9 PolarHBondContact O-N 3.04Å; V6-L9 PolarHBondContact O-N 2.79Å; L9-V12 PolarHBondContact O-N 3.43Å; L9-F13 WeakPolarHBondContact O-CB 3.37Å; L9-F13 PolarHBondContact O-N 3.45Å |
| 10 | F | 92 | Very high | 85 | Confident | 122 Ų | 122 | 124.8 Ų | 124.8 | 54% | 0.535 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -62.2 | -43.7 | 175.5 | -166.1 | -97.1 | 0 | 0 | 0 | 111.1 | V6 L8 V12 F13 F14 | V6-F10 WeakPolarHBondContact O-CB 3.33Å; V6-F10 PolarHBondContact O-N 2.82Å; L8-F10 VanDerWaalsContact C-N 3.34Å; F10-V12 PolarHBondContact O-N 3.04Å; F10-F13 PolarHBondContact O-N 2.8Å; F10-F14 AromaticContact CD1-CD2 3.73Å; F10-F14 HydrophobicContact CD1-CD2 3.73Å; F10-F14 AromaticContact CD1-CE2 3.81Å; F10-F14 HydrophobicContact CD1-CE2 3.81Å; F10-F14 HydrophobicContact CD2-CD2 4.28Å; F10-F14 AromaticContact CD2-CE2 3.9Å; F10-F14 HydrophobicContact CD2-CE2 3.9Å; F10-F14 AromaticContact CE1-CD2 3.56Å; F10-F14 HydrophobicContact CE1-CD2 3.56Å; F10-F14 AromaticContact CE1-CE2 3.23Å; F10-F14 HydrophobicContact CE1-CE2 3.23Å; F10-F14 HydrophobicContact CE1-CG 4.46Å; F10-F14 AromaticContact CE1-CZ 3.86Å; F10-F14 HydrophobicContact CE1-CZ 3.86Å; F10-F14 HydrophobicContact CE2-CD2 4.15Å; F10-F14 AromaticContact CE2-CE2 3.35Å; F10-F14 HydrophobicContact CE2-CE2 3.35Å; F10-F14 HydrophobicContact CE2-CZ 4.16Å; F10-F14 HydrophobicContact CG-CD2 4.11Å; F10-F14 HydrophobicContact CG-CE2 4.13Å; F10-F14 AromaticContact CZ-CD2 3.81Å; F10-F14 HydrophobicContact CZ-CD2 3.81Å; F10-F14 AromaticContact CZ-CE2 3Å; F10-F14 HydrophobicContact CZ-CE2 3Å; F10-F14 AromaticContact CZ-CZ 3.52Å; F10-F14 HydrophobicContact CZ-CZ 3.52Å; F10-F14 VanDerWaalsContact O-CD2 3.29Å; F10-F14 WeakPolarHBondContact O-CD2 3.48Å; F10-F14 PolarHBondContact O-N 2.75Å |
| 11 | S | 89.1 | Confident | 83.7 | Confident | 52 Ų | 52 | 124 Ų | 124 | 36% | 0.364 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -63.8 | -40.5 | 177.8 | 64 | 0 | 0 | 0 | 0 | 113.1 | L7 L8 Q15 | L7-S11 PolarHBondContact O-N 2.71Å; L7-S11 PolarHBondContact O-OG 2.94Å; L8-S11 PolarHBondContact O-N 2.84Å; L8-S11 PolarHBondContact O-OG 3.46Å; S11-Q15 WeakPolarHBondContact O-CG 3.35Å; S11-Q15 PolarHBondContact O-N 2.67Å |
| 12 | V | 89.4 | Confident | 82.4 | Confident | 91 Ų | 91 | 121.6 Ų | 121.6 | 55% | 0.552 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.7 | -40.9 | 177.5 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | L8 L9 F10 F14 Q15 Y16 | L8-V12 WeakPolarHBondContact O-CG2 3.37Å; L8-V12 PolarHBondContact O-N 2.72Å; L9-V12 PolarHBondContact O-N 3.43Å; F10-V12 PolarHBondContact O-N 3.04Å; V12-F14 PolarHBondContact O-N 3.45Å; V12-Q15 WeakPolarHBondContact O-CB 3.29Å; V12-Q15 PolarHBondContact O-N 2.87Å; V12-Y16 PolarHBondContact O-N 2.99Å |
| 13 | F | 87.3 | Confident | 80.9 | Confident | 120 Ų | 120 | 117.5 Ų | 117.5 | 53% | 0.526 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62 | -43.1 | 177.3 | -178.7 | -103.7 | 0 | 0 | 0 | 112.2 | L9 F10 Q15 Y16 L17 | L9-F13 WeakPolarHBondContact O-CB 3.37Å; L9-F13 PolarHBondContact O-N 3.45Å; F10-F13 PolarHBondContact O-N 2.8Å; F13-Q15 VanDerWaalsContact C-N 3.34Å; F13-Q15 PolarHBondContact O-N 2.81Å; F13-Y16 PolarHBondContact O-N 3.41Å; F13-L17 HydrophobicContact CD1-CD1 3.86Å; F13-L17 HydrophobicContact CE1-CD1 3.27Å; F13-L17 HydrophobicContact CE1-CG 4.16Å; F13-L17 HydrophobicContact CZ-CD1 3.69Å; F13-L17 HydrophobicContact CZ-CG 4.2Å; F13-L17 PolarHBondContact O-N 2.94Å |
| 14 | F | 84.9 | Confident | 79 | Confident | 90 Ų | 90 | 111.1 Ų | 111.1 | 40% | 0.395 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66 | -36.3 | 175.6 | -89.5 | -96.4 | 0 | 0 | 0 | 112.6 | F10 V12 Y16 L17 L18 | F10-F14 AromaticContact CD1-CD2 3.73Å; F10-F14 HydrophobicContact CD1-CD2 3.73Å; F10-F14 AromaticContact CD1-CE2 3.81Å; F10-F14 HydrophobicContact CD1-CE2 3.81Å; F10-F14 HydrophobicContact CD2-CD2 4.28Å; F10-F14 AromaticContact CD2-CE2 3.9Å; F10-F14 HydrophobicContact CD2-CE2 3.9Å; F10-F14 AromaticContact CE1-CD2 3.56Å; F10-F14 HydrophobicContact CE1-CD2 3.56Å; F10-F14 AromaticContact CE1-CE2 3.23Å; F10-F14 HydrophobicContact CE1-CE2 3.23Å; F10-F14 HydrophobicContact CE1-CG 4.46Å; F10-F14 AromaticContact CE1-CZ 3.86Å; F10-F14 HydrophobicContact CE1-CZ 3.86Å; F10-F14 HydrophobicContact CE2-CD2 4.15Å; F10-F14 AromaticContact CE2-CE2 3.35Å; F10-F14 HydrophobicContact CE2-CE2 3.35Å; F10-F14 HydrophobicContact CE2-CZ 4.16Å; F10-F14 HydrophobicContact CG-CD2 4.11Å; F10-F14 HydrophobicContact CG-CE2 4.13Å; F10-F14 AromaticContact CZ-CD2 3.81Å; F10-F14 HydrophobicContact CZ-CD2 3.81Å; F10-F14 AromaticContact CZ-CE2 3Å; F10-F14 HydrophobicContact CZ-CE2 3Å; F10-F14 AromaticContact CZ-CZ 3.52Å; F10-F14 HydrophobicContact CZ-CZ 3.52Å; F10-F14 VanDerWaalsContact O-CD2 3.29Å; F10-F14 WeakPolarHBondContact O-CD2 3.48Å; F10-F14 PolarHBondContact O-N 2.75Å; V12-F14 PolarHBondContact O-N 3.45Å; F14-Y16 VanDerWaalsContact C-N 3.31Å; F14-Y16 PolarHBondContact O-N 2.82Å; F14-L17 PolarHBondContact O-N 3.5Å; F14-L18 WeakPolarHBondContact O-CB 3.39Å; F14-L18 WeakPolarHBondContact O-CG 3.31Å; F14-L18 PolarHBondContact O-N 2.97Å |
| 15 | Q | 83.5 | Confident | 76.9 | Confident | 132 Ų | 132 | 112.2 Ų | 112.2 | 62% | 0.617 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.7 | -38.6 | 172.1 | -74.9 | 175.3 | -3 | 0 | 0 | 112 | S11 V12 F13 A19 | S11-Q15 WeakPolarHBondContact O-CG 3.35Å; S11-Q15 PolarHBondContact O-N 2.67Å; V12-Q15 WeakPolarHBondContact O-CB 3.29Å; V12-Q15 PolarHBondContact O-N 2.87Å; F13-Q15 VanDerWaalsContact C-N 3.34Å; F13-Q15 PolarHBondContact O-N 2.81Å; Q15-A19 VanDerWaalsContact O-CB 3.28Å; Q15-A19 WeakPolarHBondContact O-CB 3.27Å; Q15-A19 PolarHBondContact O-N 3.2Å |
| 16 | Y | 81.8 | Confident | 74.7 | Confident | 185 Ų | 185 | 115 Ų | 115 | 73% | 0.725 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -69.1 | -37.4 | 176.9 | -170.2 | -90.9 | 0 | 0 | 0 | 112.8 | V12 F13 F14 | V12-Y16 PolarHBondContact O-N 2.99Å; F13-Y16 PolarHBondContact O-N 3.41Å; F14-Y16 VanDerWaalsContact C-N 3.31Å; F14-Y16 PolarHBondContact O-N 2.82Å |
| 17 | L | 78.3 | Confident | 72.3 | Confident | 107 Ų | 107 | 114 Ų | 114 | 56% | 0.56 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -69.5 | -37.2 | 174.2 | -82 | 170.7 | 0 | 0 | 0 | 113.1 | F13 F14 | F13-L17 HydrophobicContact CD1-CD1 3.86Å; F13-L17 HydrophobicContact CE1-CD1 3.27Å; F13-L17 HydrophobicContact CE1-CG 4.16Å; F13-L17 HydrophobicContact CZ-CD1 3.69Å; F13-L17 HydrophobicContact CZ-CG 4.2Å; F13-L17 PolarHBondContact O-N 2.94Å; F14-L17 PolarHBondContact O-N 3.5Å |
| 18 | L | 73.1 | Confident | 69.9 | Low | 142 Ų | 142 | 114.9 Ų | 114.9 | 74% | 0.743 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -78.9 | -21.1 | 176.5 | -79.6 | 160.4 | 0 | 0 | 0 | 112.8 | F14 E20 | F14-L18 WeakPolarHBondContact O-CB 3.39Å; F14-L18 WeakPolarHBondContact O-CG 3.31Å; F14-L18 PolarHBondContact O-N 2.97Å; L18-E20 PolarHBondContact O-N 3.24Å |
| 19 | A | 67.3 | Low | 67.3 | Low | 64 Ų | 64 | 118.5 Ų | 118.5 | 53% | 0.529 | 64% | 0.641 | S | S | . | * | S | Bend | trans | -70.2 | 73.3 | 159.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | Q15 P21 | Q15-A19 VanDerWaalsContact O-CB 3.28Å; Q15-A19 WeakPolarHBondContact O-CB 3.27Å; Q15-A19 PolarHBondContact O-N 3.2Å; A19-P21 VanDerWaalsContact O-N 3.17Å |
| 20 | E | 65 | Low | 65.2 | Low | 160 Ų | 160 | 117.3 Ų | 117.3 | 75% | 0.748 | 65% | 0.648 | S | S | * | * | | | trans | -38.4 | 123.1 | 164.4 | -163.8 | 168.5 | -159.7 | 0 | 0 | 106.9 | L18 I22 | L18-E20 PolarHBondContact O-N 3.24Å; E20-I22 PolarHBondContact O-N 3.06Å |
| 21 | P | 56.6 | Low | 62.9 | Low | 108 Ų | 108 | 117.1 Ų | 117.1 | 70% | 0.701 | 66% | 0.657 | S | S | * | * | | | trans | -57 | 115.3 | 174.5 | 24.7 | -31.1 | 0 | 0 | 0 | 104.5 | A19 S23 | A19-P21 VanDerWaalsContact O-N 3.17Å; P21-S23 PolarHBondContact O-N 3.5Å |
| 22 | I | 52.1 | Low | 61 | Low | 156 Ų | 156 | 119.9 Ų | 119.9 | 80% | 0.8 | 68% | 0.676 | S | S | * | * | | | trans | -60.4 | 92.3 | 162 | -52.5 | 171.5 | 0 | 0 | 0 | 102.1 | E20 S24 | E20-I22 PolarHBondContact O-N 3.06Å; I22-S24 PolarHBondContact O-N 3.48Å |
| 23 | S | 50.7 | Low | 59.1 | Low | 80 Ų | 80 | 121.8 Ų | 121.8 | 56% | 0.559 | 68% | 0.684 | S | S | * | * | | | trans | -63.2 | 85.3 | 166.9 | 157 | 0 | 0 | 0 | 0 | 103.2 | P21 D25 | P21-S23 PolarHBondContact O-N 3.5Å; S23-D25 PolarHBondContact O-N 3.03Å; S23-D25 WeakPolarHBondContact OG-CB 3.45Å; S23-D25 VanDerWaalsContact OG-CG 3.3Å; S23-D25 PolarHBondContact OG-N 3.03Å; S23-D25 PolarHBondContact OG-OD2 2.82Å |
| 24 | S | 48.8 | Very low | 57.3 | Low | 91 Ų | 91 | 121.2 Ų | 121.2 | 64% | 0.636 | 69% | 0.692 | S | S | * | * | | | trans | -71.5 | 57.3 | 150.2 | -53.7 | 0 | 0 | 0 | 0 | 106.6 | I22 D26 | I22-S24 PolarHBondContact O-N 3.48Å; S24-D26 PolarHBondContact O-N 3.06Å |
| 25 | D | 49 | Very low | 55.6 | Low | 137 Ų | 137 | 124.5 Ų | 124.5 | 73% | 0.733 | 71% | 0.712 | S | S | * | * | | | trans | -74.4 | 71.5 | 154.6 | -73.4 | -45 | 0 | 0 | 0 | 105.8 | S23 G27 | S23-D25 PolarHBondContact O-N 3.03Å; S23-D25 WeakPolarHBondContact OG-CB 3.45Å; S23-D25 VanDerWaalsContact OG-CG 3.3Å; S23-D25 PolarHBondContact OG-N 3.03Å; S23-D25 PolarHBondContact OG-OD2 2.82Å; D25-G27 PolarHBondContact O-N 3.45Å |
| 26 | D | 46.5 | Very low | 53.8 | Low | 140 Ų | 140 | 124.5 Ų | 124.5 | 75% | 0.749 | 72% | 0.716 | S | S | * | * | | | trans | -57.6 | 89.9 | 144.7 | -79.4 | -36.7 | 0 | 0 | 0 | 104.8 | S24 N28 | S24-D26 PolarHBondContact O-N 3.06Å; D26-N28 PolarHBondContact O-N 3.41Å |
| 27 | G | 41.9 | Very low | 52.2 | Low | 77 Ų | 77 | 124.9 Ų | 124.9 | 79% | 0.794 | 72% | 0.721 | S | S | * | * | | | trans | -66.1 | 59.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | D25 | D25-G27 PolarHBondContact O-N 3.45Š|
| 28 | N | 43.4 | Very low | 50.6 | Low | 136 Ų | 136 | 126 Ų | 126 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | | | trans | -98.7 | 105.9 | 171 | -84.3 | -14.2 | 0 | 0 | 0 | 109.4 | D26 | D26-N28 PolarHBondContact O-N 3.41Š|
| 29 | Q | 40.1 | Very low | 49.2 | Very low | 179 Ų | 179 | 122.9 Ų | 122.9 | 84% | 0.836 | 73% | 0.73 | S | S | * | * | | | trans | 66 | 96.7 | 144.6 | -64.4 | -179.2 | -16.4 | 0 | 0 | 117.7 | | |
| 30 | A | 47.9 | Very low | 47.9 | Very low | 95 Ų | 95 | 127.6 Ų | 127.6 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | | | | -152.3 | 91.3 | 116 | 0 | 0 | 0 | 0 | 0 | 108.6 | S32 | A30-S32 PolarHBondContact O-N 2.86Å; A30-S32 VanDerWaalsContact O-N 3.13Å |
| 31 | T | 43.6 | Very low | 46.9 | Very low | 117 Ų | 117 | 126.6 Ų | 126.6 | 72% | 0.718 | 74% | 0.741 | S | S | * | * | | | trans | -57.8 | 106.6 | 160.7 | -46.7 | 0 | 0 | 0 | 0 | 108.1 | | |
| 32 | S | 50.6 | Low | 46.6 | Very low | 110 Ų | 110 | 128.5 Ų | 128.5 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | | | trans | -122.2 | 89.1 | 155.2 | 48.4 | 0 | 0 | 0 | 0 | 106.3 | A30 | A30-S32 PolarHBondContact O-N 2.86Å; A30-S32 VanDerWaalsContact O-N 3.13Å |
| 33 | D | 48.9 | Very low | 46.1 | Very low | 132 Ų | 132 | 129.3 Ų | 129.3 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | | | trans | -55.1 | 146 | 174 | -69.5 | -40.5 | 0 | 0 | 0 | 110.7 | | |
| 34 | P | 48.6 | Very low | 45.9 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | | | trans | -72.7 | 133.3 | -164.7 | 27.5 | -34.2 | 0 | 0 | 0 | 112.5 | L36 | P34-L36 VanDerWaalsContact C-N 3.32Å; P34-L36 PolarHBondContact O-N 3.36Å |
| 35 | I | 50.5 | Low | 45.9 | Very low | 159 Ų | 159 | 134.1 Ų | 134.1 | 82% | 0.815 | 76% | 0.76 | S | S | * | * | | | trans | -69.5 | 94.4 | 166 | -60 | 171.6 | 0 | 0 | 0 | 107.4 | K37 | I35-K37 HydrophobicContact CG2-CG 4.42Å; I35-K37 PolarHBondContact O-N 3.35Å; I35-K37 VanDerWaalsContact O-N 3.09Å |
| 36 | L | 45.2 | Very low | 45.9 | Very low | 132 Ų | 132 | 130.5 Ų | 130.5 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | | | trans | -54.3 | 106.8 | 158.1 | -81.2 | 142.9 | 0 | 0 | 0 | 108 | P34 D38 | P34-L36 VanDerWaalsContact C-N 3.32Å; P34-L36 PolarHBondContact O-N 3.36Å; L36-D38 WeakPolarHBondContact CD2-OD2 3.35Å |
| 37 | K | 48.1 | Very low | 46 | Very low | 192 Ų | 192 | 130.9 Ų | 130.9 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | | | trans | -106.7 | 86.5 | 150.4 | -86.1 | -155.7 | 174.3 | -171 | 0 | 106.9 | I35 G39 | I35-K37 HydrophobicContact CG2-CG 4.42Å; I35-K37 PolarHBondContact O-N 3.35Å; I35-K37 VanDerWaalsContact O-N 3.09Å; K37-G39 PolarHBondContact O-N 2.96Å |
| 38 | D | 45.1 | Very low | 46.5 | Very low | 130 Ų | 130 | 134.1 Ų | 134.1 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | | | trans | -67.1 | 82 | 157.2 | -57.9 | -38.3 | 0 | 0 | 0 | 106.6 | L36 E40 | L36-D38 WeakPolarHBondContact CD2-OD2 3.35Å; D38-E40 PolarHBondContact O-N 2.94Å |
| 39 | G | 43 | Very low | 46.7 | Very low | 77 Ų | 77 | 136.5 Ų | 136.5 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | | | trans | -86.4 | 70.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | K37 | K37-G39 PolarHBondContact O-N 2.96Š|
| 40 | E | 40.3 | Very low | 47 | Very low | 163 Ų | 163 | 135.6 Ų | 135.6 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | | | trans | -65.8 | 148.5 | 164.7 | -146.5 | 173.8 | 177.6 | 0 | 0 | 109 | D38 | D38-E40 PolarHBondContact O-N 2.94Š|
| 41 | D | 44.5 | Very low | 47 | Very low | 140 Ų | 140 | 137.4 Ų | 137.4 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | | | trans | 72.9 | 107.9 | 166.2 | -54.5 | -29.2 | 0 | 0 | 0 | 118 | | |
| 42 | D | 50.5 | Low | 47.1 | Very low | 148 Ų | 148 | 137.2 Ų | 137.2 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | | | | -169.4 | 140.1 | 85 | -143 | -14.1 | 0 | 0 | 0 | 111.4 | T44 | D42-T44 PolarHBondContact O-N 3.43Š|
| 43 | K | 40.3 | Very low | 46.6 | Very low | 172 Ų | 172 | 138.6 Ų | 138.6 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | | | trans | -65.8 | 116.9 | 172.5 | -68.6 | 173.9 | 178 | 168.7 | 0 | 108.1 | | |
| 44 | T | 47.1 | Very low | 46.2 | Very low | 130 Ų | 130 | 138.2 Ų | 138.2 | 80% | 0.798 | 77% | 0.765 | S | S | * | * | | | trans | -112.5 | 91.9 | 151.2 | -41.3 | 0 | 0 | 0 | 0 | 106.3 | D42 G46 | D42-T44 PolarHBondContact O-N 3.43Å; T44-G46 PolarHBondContact O-N 2.95Å |
| 45 | D | 49.2 | Very low | 46.1 | Very low | 142 Ų | 142 | 137.7 Ų | 137.7 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | | | trans | -63.5 | 77.4 | 158 | -64 | -37.3 | 0 | 0 | 0 | 106.4 | D47 | D45-D47 PolarHBondContact O-N 2.99Å; D45-D47 VanDerWaalsContact O-N 3.14Å |
| 46 | G | 48.4 | Very low | 45.6 | Very low | 62 Ų | 62 | 136.3 Ų | 136.3 | 64% | 0.639 | 77% | 0.769 | S | S | * | * | | | trans | -80.5 | 77.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108 | T44 D48 | T44-G46 PolarHBondContact O-N 2.95Å; G46-D48 PolarHBondContact O-N 3.09Å; G46-D48 VanDerWaalsContact O-N 3.12Å |
| 47 | D | 48.4 | Very low | 45.5 | Very low | 147 Ų | 147 | 136.7 Ų | 136.7 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | | | trans | -47.2 | 110.9 | 146.4 | -81.6 | -30.8 | 0 | 0 | 0 | 106.8 | D45 | D45-D47 PolarHBondContact O-N 2.99Å; D45-D47 VanDerWaalsContact O-N 3.14Å |
| 48 | D | 53.2 | Low | 45.1 | Very low | 146 Ų | 146 | 130.1 Ų | 130.1 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | | | trans | 157.7 | 71.8 | 153.6 | -79.5 | -22.5 | 0 | 0 | 0 | 109.2 | G46 | G46-D48 PolarHBondContact O-N 3.09Å; G46-D48 VanDerWaalsContact O-N 3.12Å |
| 49 | Q | 46.9 | Very low | 45.2 | Very low | 186 Ų | 186 | 131.9 Ų | 131.9 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | | | trans | -159.1 | 89.3 | 136.6 | -108.8 | 166.2 | 36.7 | 0 | 0 | 109.3 | D51 | Q49-D51 PolarHBondContact O-N 3.38Š|
| 50 | D | 46.4 | Very low | 45.4 | Very low | 160 Ų | 160 | 136 Ų | 136 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | | | trans | -52.5 | 73.8 | 148.9 | -68.5 | -48.3 | 0 | 0 | 0 | 109.9 | V52 | D50-V52 PolarHBondContact O-N 3.3Š|
| 51 | D | 47.8 | Very low | 45.7 | Very low | 133 Ų | 133 | 136 Ų | 136 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | | | trans | -96.2 | 78.9 | 160.5 | -157.8 | 18.7 | 0 | 0 | 0 | 108.3 | Q49 T53 | Q49-D51 PolarHBondContact O-N 3.38Å; D51-T53 VanDerWaalsContact C-N 3.32Å; D51-T53 PolarHBondContact O-N 3.48Å |
| 52 | V | 47.2 | Very low | 45.9 | Very low | 113 Ų | 113 | 133.2 Ų | 133.2 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | | | trans | 14.8 | 69 | 142.9 | -165.6 | 0 | 0 | 0 | 0 | 115 | D50 V54 | D50-V52 PolarHBondContact O-N 3.3Å; V52-V54 HydrophobicContact CG1-CB 4.13Å; V52-V54 HydrophobicContact CG1-CG2 3.96Å; V52-V54 PolarHBondContact O-N 3.47Å |
| 53 | T | 40.2 | Very low | 45.9 | Very low | 139 Ų | 139 | 133.4 Ų | 133.4 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | | | trans | -81.6 | 64.6 | 156 | 34.6 | 0 | 0 | 0 | 0 | 109.1 | D51 | D51-T53 VanDerWaalsContact C-N 3.32Å; D51-T53 PolarHBondContact O-N 3.48Å |
| 54 | V | 39.8 | Very low | 46.4 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | | | trans | -94.9 | 85.4 | 162.6 | -178.4 | 0 | 0 | 0 | 0 | 107.7 | V52 | V52-V54 HydrophobicContact CG1-CB 4.13Å; V52-V54 HydrophobicContact CG1-CG2 3.96Å; V52-V54 PolarHBondContact O-N 3.47Å |
| 55 | A | 47.1 | Very low | 46.3 | Very low | 96 Ų | 96 | 128.4 Ų | 128.4 | 79% | 0.793 | 75% | 0.75 | S | S | * | * | | | trans | -148.1 | 51.3 | 153.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | T57 | A55-T57 PolarHBondContact O-N 3.04Š|
| 56 | T | 38.8 | Very low | 46.3 | Very low | 130 Ų | 130 | 128.1 Ų | 128.1 | 80% | 0.798 | 75% | 0.748 | S | S | * | * | | | trans | -63.9 | 107.1 | 148.2 | -49.5 | 0 | 0 | 0 | 0 | 105.9 | | |
| 57 | T | 42.8 | Very low | 46.3 | Very low | 140 Ų | 140 | 129 Ų | 129 | 86% | 0.859 | 75% | 0.745 | S | S | * | * | | | trans | 170.5 | 120.8 | 131.7 | -50.4 | 0 | 0 | 0 | 0 | 107.6 | A55 | A55-T57 PolarHBondContact O-N 3.04Š|
| 58 | G | 40.3 | Very low | 46.2 | Very low | 55 Ų | 55 | 131 Ų | 131 | 57% | 0.567 | 75% | 0.746 | S | S | * | * | | | trans | 141 | 74.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E60 | G58-E60 PolarHBondContact O-N 3.39Š|
| 59 | N | 47.9 | Very low | 46.3 | Very low | 167 Ų | 167 | 131.6 Ų | 131.6 | 89% | 0.893 | 75% | 0.749 | S | S | * | * | | | trans | -62.2 | 82.6 | 154.4 | -64.2 | -16.5 | 0 | 0 | 0 | 107.3 | | |
| 60 | E | 46.2 | Very low | 46.5 | Very low | 162 Ų | 162 | 129.3 Ų | 129.3 | 76% | 0.757 | 74% | 0.742 | S | S | * | * | | | trans | -100.7 | 96.7 | 161.4 | -61.9 | -166.3 | -165.5 | 0 | 0 | 106 | G58 V62 | G58-E60 PolarHBondContact O-N 3.39Å; E60-V62 HydrophobicContact CB-CG2 4.05Å; E60-V62 PolarHBondContact O-N 3.1Å |
| 61 | D | 47.7 | Very low | 46.5 | Very low | 164 Ų | 164 | 131.5 Ų | 131.5 | 88% | 0.877 | 74% | 0.738 | S | S | * | * | | | trans | -54.2 | 75.3 | 163 | -76.6 | -43 | 0 | 0 | 0 | 110 | | |
| 62 | V | 48 | Very low | 46.5 | Very low | 81 Ų | 81 | 128.2 Ų | 128.2 | 49% | 0.491 | 74% | 0.735 | S | S | . | * | | | trans | -120.3 | 69.2 | 172.5 | -168 | 0 | 0 | 0 | 0 | 107.2 | E60 V64 | E60-V62 HydrophobicContact CB-CG2 4.05Å; E60-V62 PolarHBondContact O-N 3.1Å; V62-V64 HydrophobicContact CG1-CB 3.6Å; V62-V64 HydrophobicContact CG1-CG2 3.59Å; V62-V64 PolarHBondContact O-N 3.03Å |
| 63 | D | 49.9 | Very low | 46.5 | Very low | 152 Ų | 152 | 132.4 Ų | 132.4 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | | | trans | -58.8 | 23.5 | 157.3 | -109.6 | -19.3 | 0 | 0 | 0 | 112.9 | T65 | D63-T65 VanDerWaalsContact C-N 3.34Å; D63-T65 PolarHBondContact O-N 3.26Å |
| 64 | V | 50.5 | Low | 47 | Very low | 92 Ų | 92 | 134.2 Ų | 134.2 | 56% | 0.558 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | 38.5 | -177.6 | -159.7 | 0 | 0 | 0 | 0 | 110.5 | V62 | V62-V64 HydrophobicContact CG1-CB 3.6Å; V62-V64 HydrophobicContact CG1-CG2 3.59Å; V62-V64 PolarHBondContact O-N 3.03Å |
| 65 | T | 46.8 | Very low | 47.5 | Very low | 106 Ų | 106 | 132 Ų | 132 | 65% | 0.65 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | -14.6 | 168.8 | 53.5 | 0 | 0 | 0 | 0 | 113.3 | D63 S67 | D63-T65 VanDerWaalsContact C-N 3.34Å; D63-T65 PolarHBondContact O-N 3.26Å; T65-S67 PolarHBondContact O-N 3.17Å |
| 66 | N | 48.8 | Very low | 47.5 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -4.8 | 178.6 | -94.4 | -34.4 | 0 | 0 | 0 | 115.9 | | |
| 67 | S | 47.8 | Very low | 48.3 | Very low | 82 Ų | 82 | 136.3 Ų | 136.3 | 57% | 0.573 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | -8.5 | 180 | 62.2 | 0 | 0 | 0 | 0 | 115.2 | T65 | T65-S67 PolarHBondContact O-N 3.17Š|
| 68 | K | 46.4 | Very low | 48.5 | Very low | 188 Ų | 188 | 135.1 Ų | 135.1 | 82% | 0.817 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -88.2 | -17 | -179.1 | -81.9 | -179.2 | -180 | 171.1 | 0 | 115 | | |
| 69 | L | 54.1 | Low | 49.1 | Very low | 158 Ų | 158 | 141.2 Ų | 141.2 | 83% | 0.827 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -85.7 | -19.5 | 176.9 | -68 | 177 | 0 | 0 | 0 | 113.3 | | |
| 70 | L | 51.5 | Low | 49.4 | Very low | 138 Ų | 138 | 144 Ų | 144 | 72% | 0.723 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -103.7 | 96.6 | 179.1 | -69.9 | 166.2 | 0 | 0 | 0 | 110.2 | | |
| 71 | R | 47.9 | Very low | 49.7 | Very low | 206 Ų | 206 | 148.7 Ų | 148.7 | 78% | 0.777 | 74% | 0.741 | S | S | * | * | S | Bend | | 79.2 | 55.2 | 128.8 | -150.7 | 176.7 | -171.6 | -143.6 | 2.9 | 115.2 | | |
| 72 | G | 46.6 | Very low | 49.7 | Very low | 64 Ų | 64 | 143.7 Ų | 143.7 | 66% | 0.66 | 73% | 0.727 | S | S | * | * | | | trans | -125.6 | 2.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y74 | G72-Y74 PolarHBondContact O-N 3.3Š|
| 73 | H | 47.6 | Very low | 49.8 | Very low | 202 Ų | 202 | 150.7 Ų | 150.7 | 94% | 0.935 | 75% | 0.747 | S | S | * | * | | | trans | -73.4 | 54.9 | 167.5 | -78.2 | -61.6 | 0 | 0 | 0 | 110.7 | G75 | H73-G75 VanDerWaalsContact C-N 3.29Å; H73-G75 PolarHBondContact O-N 3Å |
| 74 | Y | 51.3 | Low | 49.8 | Very low | 176 Ų | 176 | 153.3 Ų | 153.3 | 69% | 0.69 | 75% | 0.745 | S | S | * | * | | | trans | -73 | 95.3 | 160.1 | -74.6 | -77.9 | 0 | 0 | 0 | 106.8 | G72 H76 | G72-Y74 PolarHBondContact O-N 3.3Å; Y74-H76 PolarHBondContact O-N 3.25Å; Y74-H76 VanDerWaalsContact O-N 3.09Å |
| 75 | G | 48.8 | Very low | 49.7 | Very low | 79 Ų | 79 | 158.8 Ų | 158.8 | 81% | 0.814 | 76% | 0.764 | S | S | * | * | | | trans | -51.2 | 113.1 | -178 | 0 | 0 | 0 | 0 | 0 | 111.7 | H73 | H73-G75 VanDerWaalsContact C-N 3.29Å; H73-G75 PolarHBondContact O-N 3Å |
| 76 | H | 48.9 | Very low | 49.7 | Very low | 163 Ų | 163 | 162.1 Ų | 162.1 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | trans | -108.4 | 105.6 | 169.2 | -162.3 | 50.9 | 0 | 0 | 0 | 110 | Y74 | Y74-H76 PolarHBondContact O-N 3.25Å; Y74-H76 VanDerWaalsContact O-N 3.09Å |
| 77 | R | 53.7 | Low | 49.7 | Very low | 153 Ų | 153 | 161.9 Ų | 161.9 | 58% | 0.577 | 76% | 0.759 | S | S | * | * | | | trans | 71.2 | 138.3 | 157.6 | -98.9 | 178.3 | 174.7 | -172.1 | 0.8 | 117.9 | Y79 | R77-Y79 HydrophobicContact CG-CD2 3.7Å; R77-Y79 HydrophobicContact CG-CE2 3.97Å; R77-Y79 VanDerWaalsContact CZ-CE2 3.42Å; R77-Y79 PolarHBondContact NH2-OH 3.1Å; R77-Y79 VanDerWaalsContact NH2-OH 3.1Å |
| 78 | P | 47.2 | Very low | 50.1 | Low | 114 Ų | 114 | 162.4 Ų | 162.4 | 74% | 0.74 | 76% | 0.763 | S | S | * | * | | | | -136.2 | 147.7 | 68.2 | 33.2 | -15.9 | 0 | 0 | 0 | 116.3 | R80 | P78-R80 PolarHBondContact O-N 3.38Š|
| 79 | Y | 53.9 | Low | 50.3 | Low | 183 Ų | 183 | 160.7 Ų | 160.7 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | | | trans | -65.3 | 117.1 | 164.5 | -78.7 | -137.6 | 0 | 0 | 0 | 109.2 | R77 | R77-Y79 HydrophobicContact CG-CD2 3.7Å; R77-Y79 HydrophobicContact CG-CE2 3.97Å; R77-Y79 VanDerWaalsContact CZ-CE2 3.42Å; R77-Y79 PolarHBondContact NH2-OH 3.1Å; R77-Y79 VanDerWaalsContact NH2-OH 3.1Å |
| 80 | R | 54.9 | Low | 50.2 | Low | 227 Ų | 227 | 162.6 Ų | 162.6 | 86% | 0.857 | 75% | 0.754 | S | S | * | * | | | trans | -138.2 | 89.2 | 157.1 | -71.5 | -169.8 | 178.1 | -146.7 | 1.5 | 106.6 | P78 | P78-R80 PolarHBondContact O-N 3.38Š|
| 81 | R | 50.8 | Low | 50.2 | Low | 260 Ų | 260 | 166.9 Ų | 166.9 | 98% | 0.981 | 76% | 0.76 | S | S | * | * | | | | 38.2 | 90.9 | 87 | -144.1 | -178.2 | -163.2 | -171.2 | 5.1 | 111.4 | | |
| 82 | G | 48.7 | Very low | 50.4 | Low | 58 Ų | 58 | 165.3 Ų | 165.3 | 60% | 0.598 | 76% | 0.761 | S | S | * | * | | | trans | 122.9 | 64.6 | 152.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 83 | Y | 48.9 | Very low | 50.7 | Low | 229 Ų | 229 | 172.6 Ų | 172.6 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | | | trans | -109 | 86.8 | 143.7 | -69.7 | -76.9 | 0 | 0 | 0 | 108.1 | H85 | Y83-H85 PolarHBondContact O-N 3.05Š|
| 84 | R | 50 | Low | 50.8 | Low | 207 Ų | 207 | 172 Ų | 172 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | | | trans | -43.4 | 112.9 | 156.5 | -67.8 | 168.5 | 174.2 | 168.4 | -2.3 | 106.4 | R86 | R84-R86 HydrophobicContact CB-CB 4.34Å; R84-R86 PolarHBondContact O-N 2.72Å |
| 85 | H | 48.1 | Very low | 51.1 | Low | 207 Ų | 207 | 174.3 Ų | 174.3 | 96% | 0.958 | 77% | 0.774 | S | S | * | * | | | trans | -66.1 | 77.7 | 161.2 | -90.2 | -58.8 | 0 | 0 | 0 | 107.2 | Y83 | Y83-H85 PolarHBondContact O-N 3.05Š|
| 86 | R | 48 | Very low | 51.3 | Low | 176 Ų | 176 | 180.3 Ų | 180.3 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | | | trans | -104.7 | 132.8 | 173.2 | -121.4 | -176.5 | -161.9 | -162.2 | 4.4 | 107.3 | R84 | R84-R86 HydrophobicContact CB-CB 4.34Å; R84-R86 PolarHBondContact O-N 2.72Å |
| 87 | H | 48.5 | Very low | 51.7 | Low | 129 Ų | 129 | 178.4 Ų | 178.4 | 60% | 0.597 | 78% | 0.777 | S | S | * | * | | | trans | 91.1 | 95.8 | 165.7 | -51.3 | -46.1 | 0 | 0 | 0 | 114.9 | | |
| 88 | S | 56.1 | Low | 51.8 | Low | 93 Ų | 93 | 179.3 Ų | 179.3 | 65% | 0.65 | 79% | 0.787 | S | S | * | * | | | | 56.1 | 63.2 | 73.2 | 84.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 89 | H | 51.9 | Low | 51.9 | Low | 153 Ų | 153 | 176.3 Ų | 176.3 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | | | trans | -114 | 88.7 | 151.8 | -70.4 | -67.6 | 0 | 0 | 0 | 107 | | |
| 90 | R | 51.1 | Low | 51.8 | Low | 198 Ų | 198 | 173.9 Ų | 173.9 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | | | | 72.1 | 95.9 | 94.6 | -73.2 | 176.7 | -172.8 | -178 | -0.2 | 109.5 | | |
| 91 | R | 51.5 | Low | 51.6 | Low | 228 Ų | 228 | 173.2 Ų | 173.2 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | | | | 63.7 | 83.2 | 103 | -69.4 | -178.5 | -176.8 | -168 | 1.4 | 112.7 | | |
| 92 | H | 51.3 | Low | 51.6 | Low | 173 Ų | 173 | 171.3 Ų | 171.3 | 80% | 0.801 | 78% | 0.775 | S | S | * | * | | | trans | -134.7 | 92.4 | 144.2 | -92.6 | -73.2 | 0 | 0 | 0 | 106.8 | | |
| 93 | R | 53.6 | Low | 51.7 | Low | 217 Ų | 217 | 179.1 Ų | 179.1 | 82% | 0.819 | 79% | 0.787 | S | S | * | * | | | | 56.4 | 76.1 | 94.6 | -72 | -170.9 | -179.9 | -174.8 | 1.8 | 112.3 | | |
| 94 | H | 50.1 | Low | 51.8 | Low | 188 Ų | 188 | 180 Ų | 180 | 87% | 0.87 | 79% | 0.788 | S | S | * | * | | | trans | -116.2 | 60.6 | 140.9 | -69 | -72.5 | 0 | 0 | 0 | 108.7 | Y96 | H94-Y96 PolarHBondContact O-N 3.13Å; H94-Y96 VanDerWaalsContact O-N 3.12Å |
| 95 | R | 57.8 | Low | 52 | Low | 225 Ų | 225 | 174.7 Ų | 174.7 | 85% | 0.849 | 78% | 0.783 | S | S | * | * | | | trans | -74.6 | 87.4 | 152.5 | -81 | -175.1 | -173 | 173.4 | 0.4 | 104.5 | | |
| 96 | Y | 52.7 | Low | 52.2 | Low | 206 Ų | 206 | 173.9 Ų | 173.9 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | | | trans | 174.9 | 74.3 | 152 | -70.6 | -52.7 | 0 | 0 | 0 | 106.6 | H94 H98 | H94-Y96 PolarHBondContact O-N 3.13Å; H94-Y96 VanDerWaalsContact O-N 3.12Å; Y96-H98 VanDerWaalsContact C-N 3.29Å; Y96-H98 PolarHBondContact O-N 3.12Å; Y96-H98 VanDerWaalsContact O-N 3.13Å |
| 97 | C | 57.2 | Low | 52.5 | Low | 123 Ų | 123 | 172.7 Ų | 172.7 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | | | trans | -73.3 | 98.1 | 152.7 | -96.7 | 0 | 0 | 0 | 0 | 106 | G99 | C97-G99 PolarHBondContact O-N 2.8Š|
| 98 | H | 54.7 | Low | 52.7 | Low | 172 Ų | 172 | 177.5 Ų | 177.5 | 80% | 0.796 | 79% | 0.794 | S | S | * | * | | | trans | -64.2 | 30 | 163.4 | -92.3 | -78.8 | 0 | 0 | 0 | 112.4 | Y96 | Y96-H98 VanDerWaalsContact C-N 3.29Å; Y96-H98 PolarHBondContact O-N 3.12Å; Y96-H98 VanDerWaalsContact O-N 3.13Å |
| 99 | G | 50.4 | Low | 52.4 | Low | 50 Ų | 50 | 181 Ų | 181 | 52% | 0.515 | 79% | 0.794 | S | S | . | * | | | trans | -106.9 | 19.1 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | C97 R101 | C97-G99 PolarHBondContact O-N 2.8Å; G99-R101 PolarHBondContact O-N 2.73Å |
| 100 | C | 51.4 | Low | 52.5 | Low | 133 Ų | 133 | 182.7 Ų | 182.7 | 90% | 0.899 | 80% | 0.796 | S | S | * | * | | | trans | -60.1 | 20.6 | 162.4 | -61.4 | 0 | 0 | 0 | 0 | 113.3 | R102 | C100-R102 PolarHBondContact O-N 3.1Å; C100-R102 VanDerWaalsContact O-N 3.1Å |
| 101 | R | 50 | Low | 52.2 | Low | 212 Ų | 212 | 181.5 Ų | 181.5 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | | | trans | -70.2 | 93.9 | 160.4 | -68.8 | -177.2 | 178.1 | -179.4 | -1.6 | 107.5 | G99 | G99-R101 PolarHBondContact O-N 2.73Š|
| 102 | R | 50.8 | Low | 52.1 | Low | 220 Ų | 220 | 180.9 Ų | 180.9 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | S | Bend | | 164.5 | 113.3 | 124.3 | -85.1 | 155.8 | -171.3 | -155.3 | 3.5 | 110.3 | C100 | C100-R102 PolarHBondContact O-N 3.1Å; C100-R102 VanDerWaalsContact O-N 3.1Å |
| 103 | R | 51.2 | Low | 51.9 | Low | 223 Ų | 223 | 186.6 Ų | 186.6 | 84% | 0.842 | 81% | 0.808 | S | S | * | * | | | trans | 67.1 | 75.2 | 142.3 | -53.9 | 178.8 | -176.4 | -157.2 | 0.2 | 115.9 | S105 | R103-S105 VanDerWaalsContact C-N 3.28Å; R103-S105 PolarHBondContact O-N 3.03Å |
| 104 | R | 50.6 | Low | 51.8 | Low | 246 Ų | 246 | 185.1 Ų | 185.1 | 93% | 0.928 | 81% | 0.808 | S | S | * | * | | | trans | -77.9 | 98 | 134.3 | -91.5 | -175.4 | -178.6 | 175.6 | 0.6 | 106.2 | H106 | R104-H106 PolarHBondContact O-N 2.9Š|
| 105 | S | 55.6 | Low | 51.9 | Low | 97 Ų | 97 | 184.9 Ų | 184.9 | 68% | 0.678 | 80% | 0.804 | S | S | * | * | | | trans | -34.6 | 107.6 | 172.5 | -45.2 | 0 | 0 | 0 | 0 | 110.7 | R103 H107 | R103-S105 VanDerWaalsContact C-N 3.28Å; R103-S105 PolarHBondContact O-N 3.03Å; S105-H107 PolarHBondContact O-N 3.31Å |
| 106 | H | 52.3 | Low | 51.6 | Low | 190 Ų | 190 | 182.7 Ų | 182.7 | 88% | 0.88 | 80% | 0.802 | S | S | * | * | | | trans | -68.4 | 77.6 | 155.6 | -98 | -101.7 | 0 | 0 | 0 | 106.7 | R104 | R104-H106 PolarHBondContact O-N 2.9Š|
| 107 | H | 53.2 | Low | 51.5 | Low | 151 Ų | 151 | 181.3 Ų | 181.3 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | | | trans | -130.6 | 76.3 | 166.3 | -97.2 | -81 | 0 | 0 | 0 | 107.2 | S105 | S105-H107 PolarHBondContact O-N 3.31Š|
| 108 | R | 53.3 | Low | 51.2 | Low | 229 Ų | 229 | 184.9 Ų | 184.9 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | | | trans | -120.9 | 72.1 | 155.5 | -134.8 | 179.6 | -172.2 | -176.2 | 1.2 | 107.5 | Y110 | R108-Y110 HydrophobicContact CG-CD2 4.16Š|
| 109 | Y | 50.7 | Low | 50.9 | Low | 167 Ų | 167 | 185.8 Ų | 185.8 | 66% | 0.655 | 80% | 0.8 | S | S | * | * | | | trans | -80.6 | 109 | 151.3 | -76.6 | -83.1 | 0 | 0 | 0 | 105.9 | Y111 | Y109-Y111 HydrophobicContact CD1-CD2 4.5Å; Y109-Y111 AromaticContact CD1-CE2 3.94Å; Y109-Y111 HydrophobicContact CD1-CE2 3.94Å |
| 110 | Y | 53.5 | Low | 51 | Low | 188 Ų | 188 | 195.5 Ų | 195.5 | 74% | 0.737 | 82% | 0.82 | S | S | * | * | | | trans | -131.2 | 94.5 | 152.5 | -83.1 | -76 | 0 | 0 | 0 | 106.7 | R108 | R108-Y110 HydrophobicContact CG-CD2 4.16Š|
| 111 | Y | 44.4 | Very low | 50.9 | Low | 173 Ų | 173 | 200.3 Ų | 200.3 | 68% | 0.678 | 81% | 0.814 | S | S | * | * | | | trans | -55.3 | 125.5 | 157.3 | -77.1 | -98 | 0 | 0 | 0 | 108.5 | Y109 | Y109-Y111 HydrophobicContact CD1-CD2 4.5Å; Y109-Y111 AromaticContact CD1-CE2 3.94Å; Y109-Y111 HydrophobicContact CD1-CE2 3.94Å |
| 112 | Y | 49.8 | Very low | 51 | Low | 215 Ų | 215 | 199.3 Ų | 199.3 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | | | trans | -138.5 | 119.8 | 141.2 | -82.7 | -77.2 | 0 | 0 | 0 | 106.8 | | |
| 113 | Y | 46.9 | Very low | 51 | Low | 293 Ų | 293 | 197.5 Ų | 197.5 | 100% | 1.149 | 81% | 0.814 | S | S | * | * | | | trans | -51 | 0 | 176.5 | -93.5 | -103.8 | 0 | 0 | 0 | 112.6 | | |