| 1 | M | 39.7 | Very low | 55.8 | Low | 247 Ų | 247 | 135.6 Ų | 135.6 | 100% | 1.217 | 74% | 0.738 | S | S | * | * | | | | 0 | 116.5 | 0 | -161.9 | 161.3 | 179.2 | 0 | 0 | 106.2 | A3 | M1-A3 PolarHBondContact O-N 2.82Š|
| 2 | E | 43.8 | Very low | 56.3 | Low | 188 Ų | 188 | 139 Ų | 139 | 88% | 0.879 | 74% | 0.741 | S | S | * | * | | | trans | -56.9 | 129.5 | -175 | -166.2 | 177.1 | 101.7 | 0 | 0 | 110 | G4 | E2-G4 PolarHBondContact O-N 3.45Š|
| 3 | A | 51.9 | Low | 56.5 | Low | 102 Ų | 102 | 140.8 Ų | 140.8 | 84% | 0.843 | 74% | 0.742 | S | S | * | * | | | trans | -72.8 | 76.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | M1 E5 | M1-A3 PolarHBondContact O-N 2.82Å; A3-E5 VanDerWaalsContact O-N 3.17Å; A3-E5 PolarHBondContact O-N 2.85Å |
| 4 | G | 54.3 | Low | 56.8 | Low | 58 Ų | 58 | 141.9 Ų | 141.9 | 60% | 0.598 | 73% | 0.731 | S | S | * | * | | | trans | -56.3 | 119.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | E2 G6 | E2-G4 PolarHBondContact O-N 3.45Å; G4-G6 PolarHBondContact O-N 2.78Å |
| 5 | E | 52.8 | Low | 57.1 | Low | 151 Ų | 151 | 139.1 Ų | 139.1 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | | | trans | -17.5 | 109.5 | 173.2 | -71 | -177.6 | 96 | 0 | 0 | 114.1 | A3 K7 | A3-E5 VanDerWaalsContact O-N 3.17Å; A3-E5 PolarHBondContact O-N 2.85Å; E5-K7 PolarHBondContact O-N 3.19Å; E5-K7 IonicContact OE2-NZ 2.86Å; E5-K7 PolarHBondContact OE2-NZ 3.17Å |
| 6 | G | 58.8 | Low | 57.3 | Low | 82 Ų | 82 | 134.4 Ų | 134.4 | 85% | 0.845 | 70% | 0.697 | S | S | * | * | | | trans | -66.4 | 71.2 | 160.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | G4 E8 | G4-G6 PolarHBondContact O-N 2.78Å; G6-E8 PolarHBondContact O-N 2.89Å |
| 7 | K | 62.8 | Low | 57.4 | Low | 146 Ų | 146 | 136.9 Ų | 136.9 | 64% | 0.635 | 70% | 0.695 | S | S | * | * | | | trans | -68.2 | 85.3 | 157.3 | 29.4 | -175.6 | 161.6 | -70.9 | 0 | 105.6 | E5 R9 | E5-K7 PolarHBondContact O-N 3.19Å; E5-K7 IonicContact OE2-NZ 2.86Å; E5-K7 PolarHBondContact OE2-NZ 3.17Å; K7-R9 PolarHBondContact O-N 2.7Å |
| 8 | E | 59.4 | Low | 57.5 | Low | 160 Ų | 160 | 139 Ų | 139 | 75% | 0.748 | 69% | 0.693 | S | S | * | * | | | trans | -41.8 | 108.5 | 167.3 | -176.5 | 178.8 | 103.3 | 0 | 0 | 106.1 | G6 V10 | G6-E8 PolarHBondContact O-N 2.89Å; E8-V10 PolarHBondContact O-N 2.88Å |
| 9 | R | 63.2 | Low | 57.7 | Low | 239 Ų | 239 | 138.1 Ų | 138.1 | 90% | 0.902 | 69% | 0.686 | S | S | * | * | | | trans | -69.2 | 77.6 | 175.6 | -72 | 175.3 | 140.2 | -173 | -4 | 105.6 | K7 P11 | K7-R9 PolarHBondContact O-N 2.7Å; R9-P11 WeakPolarHBondContact O-CD 3.33Å |
| 10 | V | 63.2 | Low | 57.8 | Low | 52 Ų | 52 | 136.5 Ų | 136.5 | 32% | 0.315 | 68% | 0.681 | S | S | . | * | | | trans | -48.6 | 117.7 | 166 | 178.3 | 0 | 0 | 0 | 0 | 103.9 | E8 K12 R14 Q15 | E8-V10 PolarHBondContact O-N 2.88Å; V10-K12 PolarHBondContact O-N 2.86Å; V10-R14 HydrophobicContact CG1-CB 4.49Å; V10-Q15 HydrophobicContact CG1-CG 4.12Å |
| 11 | P | 63.7 | Low | 57.9 | Low | 67 Ų | 67 | 134.6 Ų | 134.6 | 44% | 0.435 | 67% | 0.672 | S | S | . | * | | | trans | -57.2 | 117.4 | -176.1 | 18.6 | -28.9 | 0 | 0 | 0 | 105.9 | R9 Q13 R14 | R9-P11 WeakPolarHBondContact O-CD 3.33Å; P11-Q13 CarbonylContact O-C 3.59Å; P11-Q13 PolarHBondContact O-N 3.4Å; P11-R14 PolarHBondContact O-N 3.44Å; P11-R14 HydrophobicContact CG-CG 4.03Å |
| 12 | K | 61.7 | Low | 58.8 | Low | 176 Ų | 176 | 127.7 Ų | 127.7 | 77% | 0.765 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -43.2 | -30.8 | -179.2 | -107 | 169.2 | 169.7 | 177.6 | 0 | 111.9 | V10 R14 Q15 S16 | V10-K12 PolarHBondContact O-N 2.86Å; K12-R14 PolarHBondContact O-N 3.2Å; K12-Q15 PolarHBondContact O-N 3.33Å; K12-S16 PolarHBondContact O-N 3.23Å; K12-S16 PolarHBondContact O-OG 2.97Å; K12-S16 VanDerWaalsContact O-OG 3.14Å |
| 13 | Q | 59.9 | Low | 59.5 | Low | 163 Ų | 163 | 122.5 Ų | 122.5 | 76% | 0.762 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -54.2 | -41.7 | 172.8 | -161.9 | 179.8 | 12.2 | 0 | 0 | 115 | P11 R17 | P11-Q13 CarbonylContact O-C 3.59Å; P11-Q13 PolarHBondContact O-N 3.4Å; Q13-R17 PolarHBondContact O-N 3.22Å |
| 14 | R | 60.5 | Low | 59.9 | Low | 156 Ų | 156 | 120.4 Ų | 120.4 | 59% | 0.589 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.8 | -45.7 | 176 | -75.9 | 178.5 | 80.5 | -160.1 | 4.1 | 110.2 | V10 P11 K12 R17 W18 | V10-R14 HydrophobicContact CG1-CB 4.49Å; P11-R14 PolarHBondContact O-N 3.44Å; P11-R14 HydrophobicContact CG-CG 4.03Å; K12-R14 PolarHBondContact O-N 3.2Å; R14-R17 PolarHBondContact O-N 2.76Å; R14-W18 PolarHBondContact O-N 2.84Å |
| 15 | Q | 60.6 | Low | 60 | Low | 99 Ų | 99 | 119.9 Ų | 119.9 | 46% | 0.463 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -61.9 | -46.5 | 178.5 | -71.2 | -178.6 | -6.8 | 0 | 0 | 111.7 | V10 K12 R17 W18 H19 | V10-Q15 HydrophobicContact CG1-CG 4.12Å; K12-Q15 PolarHBondContact O-N 3.33Å; Q15-R17 VanDerWaalsContact C-N 3.28Å; Q15-R17 PolarHBondContact O-N 3.42Å; Q15-W18 PolarHBondContact O-N 2.73Å; Q15-H19 PolarHBondContact O-N 3.36Å; Q15-H19 VanDerWaalsContact O-N 3.15Å; Q15-H19 PolarHBondContact O-ND1 3.28Å |
| 16 | S | 60.5 | Low | 60.3 | Low | 64 Ų | 64 | 116.1 Ų | 116.1 | 45% | 0.448 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -58 | -39.1 | 178.2 | -57.1 | 0 | 0 | 0 | 0 | 112.7 | K12 W18 H19 N20 | K12-S16 PolarHBondContact O-N 3.23Å; K12-S16 PolarHBondContact O-OG 2.97Å; K12-S16 VanDerWaalsContact O-OG 3.14Å; S16-W18 PolarHBondContact O-N 3.21Å; S16-H19 PolarHBondContact O-N 3.09Å; S16-N20 PolarHBondContact O-N 3.26Å; S16-N20 PolarHBondContact O-ND2 3.01Å |
| 17 | R | 59.1 | Low | 60.2 | Low | 178 Ų | 178 | 119.9 Ų | 119.9 | 67% | 0.672 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62.7 | -40.8 | 179.1 | -168.3 | 174.7 | -176.8 | -108.4 | 3.2 | 112.5 | Q13 R14 Q15 I21 | Q13-R17 PolarHBondContact O-N 3.22Å; R14-R17 PolarHBondContact O-N 2.76Å; Q15-R17 VanDerWaalsContact C-N 3.28Å; Q15-R17 PolarHBondContact O-N 3.42Å; R17-I21 HydrophobicContact CG-CD1 4.32Å; R17-I21 WeakPolarHBondContact O-CD1 3.29Å; R17-I21 VanDerWaalsContact O-CG1 3.29Å; R17-I21 WeakPolarHBondContact O-CG1 3.43Å; R17-I21 PolarHBondContact O-N 3.18Å |
| 18 | W | 59.3 | Low | 59.9 | Low | 174 Ų | 174 | 120.8 Ų | 120.8 | 66% | 0.659 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -68.6 | -41.6 | 176.8 | -69.5 | 100.5 | 0 | 0 | 0 | 112.1 | R14 Q15 S16 N20 I21 T22 | R14-W18 PolarHBondContact O-N 2.84Å; Q15-W18 PolarHBondContact O-N 2.73Å; S16-W18 PolarHBondContact O-N 3.21Å; W18-N20 VanDerWaalsContact C-N 3.32Å; W18-N20 PolarHBondContact O-N 3.5Å; W18-I21 PolarHBondContact O-N 3.09Å; W18-T22 PolarHBondContact O-N 2.96Å; W18-T22 VanDerWaalsContact O-N 3.09Å; W18-T22 PolarHBondContact O-OG1 3.07Å; W18-T22 VanDerWaalsContact O-OG1 3.09Å |
| 19 | H | 61.4 | Low | 59.8 | Low | 121 Ų | 121 | 117.1 Ų | 117.1 | 56% | 0.56 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62.3 | -39.6 | 177.6 | -70.4 | 80.1 | 0 | 0 | 0 | 112.1 | Q15 S16 T22 T23 | Q15-H19 PolarHBondContact O-N 3.36Å; Q15-H19 VanDerWaalsContact O-N 3.15Å; Q15-H19 PolarHBondContact O-ND1 3.28Å; S16-H19 PolarHBondContact O-N 3.09Å; H19-T22 PolarHBondContact O-N 3.03Å; H19-T23 PolarHBondContact O-N 3.15Å; H19-T23 PolarHBondContact O-OG1 3.16Å |
| 20 | N | 59 | Low | 59.5 | Low | 107 Ų | 107 | 112.1 Ų | 112.1 | 57% | 0.572 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68.9 | -32.9 | 178.5 | -67.1 | -36.9 | 0 | 0 | 0 | 112.8 | S16 W18 A24 | S16-N20 PolarHBondContact O-N 3.26Å; S16-N20 PolarHBondContact O-ND2 3.01Å; W18-N20 VanDerWaalsContact C-N 3.32Å; W18-N20 PolarHBondContact O-N 3.5Å; N20-A24 WeakPolarHBondContact O-CB 3.11Å; N20-A24 PolarHBondContact O-N 3.26Å |
| 21 | I | 60.2 | Low | 59.4 | Low | 97 Ų | 97 | 112.6 Ų | 112.6 | 50% | 0.497 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.5 | -42.4 | 174.7 | -66.4 | 163.7 | 0 | 0 | 0 | 110.3 | R17 W18 T23 G25 | R17-I21 HydrophobicContact CG-CD1 4.32Å; R17-I21 WeakPolarHBondContact O-CD1 3.29Å; R17-I21 VanDerWaalsContact O-CG1 3.29Å; R17-I21 WeakPolarHBondContact O-CG1 3.43Å; R17-I21 PolarHBondContact O-N 3.18Å; W18-I21 PolarHBondContact O-N 3.09Å; I21-T23 PolarHBondContact O-N 3.14Å; I21-G25 PolarHBondContact O-N 3.41Å; I21-G25 VanDerWaalsContact O-N 3.16Å |
| 22 | T | 58.5 | Low | 59 | Low | 101 Ų | 101 | 115 Ų | 115 | 62% | 0.62 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63.3 | -41.2 | 178.7 | -55.7 | 0 | 0 | 0 | 0 | 111.9 | W18 H19 A26 | W18-T22 PolarHBondContact O-N 2.96Å; W18-T22 VanDerWaalsContact O-N 3.09Å; W18-T22 PolarHBondContact O-OG1 3.07Å; W18-T22 VanDerWaalsContact O-OG1 3.09Å; H19-T22 PolarHBondContact O-N 3.03Å; T22-A26 WeakPolarHBondContact O-CB 3.34Å; T22-A26 PolarHBondContact O-N 3.35Å |
| 23 | T | 57.8 | Low | 59 | Low | 79 Ų | 79 | 118.4 Ų | 118.4 | 49% | 0.485 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -74 | -44.4 | 178.6 | -54.3 | 0 | 0 | 0 | 0 | 112.4 | H19 I21 G25 A26 E27 | H19-T23 PolarHBondContact O-N 3.15Å; H19-T23 PolarHBondContact O-OG1 3.16Å; I21-T23 PolarHBondContact O-N 3.14Å; T23-G25 PolarHBondContact O-N 3.42Å; T23-A26 PolarHBondContact O-N 3.49Å; T23-E27 PolarHBondContact O-N 3.23Å |
| 24 | A | 60.3 | Low | 58.8 | Low | 58 Ų | 58 | 114 Ų | 114 | 48% | 0.479 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -64.9 | -26.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | N20 | N20-A24 WeakPolarHBondContact O-CB 3.11Å; N20-A24 PolarHBondContact O-N 3.26Å |
| 25 | G | 57.8 | Low | 58.2 | Low | 48 Ų | 48 | 111.2 Ų | 111.2 | 50% | 0.495 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -85.3 | -24.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | I21 T23 Q28 | I21-G25 PolarHBondContact O-N 3.41Å; I21-G25 VanDerWaalsContact O-N 3.16Å; T23-G25 PolarHBondContact O-N 3.42Å; G25-Q28 PolarHBondContact O-N 3.07Å |
| 26 | A | 58.3 | Low | 57.5 | Low | 72 Ų | 72 | 115 Ų | 115 | 60% | 0.595 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -73.7 | -32.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T22 T23 Q28 | T22-A26 WeakPolarHBondContact O-CB 3.34Å; T22-A26 PolarHBondContact O-N 3.35Å; T23-A26 PolarHBondContact O-N 3.49Å; A26-Q28 VanDerWaalsContact C-N 3.26Å; A26-Q28 PolarHBondContact O-N 3.24Å |
| 27 | E | 56.5 | Low | 57.3 | Low | 161 Ų | 161 | 117.5 Ų | 117.5 | 75% | 0.752 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -11.9 | 176.9 | -67 | -178.5 | 94.7 | 0 | 0 | 113.4 | T23 | T23-E27 PolarHBondContact O-N 3.23Š|
| 28 | Q | 57.7 | Low | 57.2 | Low | 164 Ų | 164 | 114.3 Ų | 114.3 | 77% | 0.766 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | 13.3 | -178.5 | -70.8 | -165.4 | 3.4 | 0 | 0 | 114.7 | G25 A26 P30 | G25-Q28 PolarHBondContact O-N 3.07Å; A26-Q28 VanDerWaalsContact C-N 3.26Å; A26-Q28 PolarHBondContact O-N 3.24Å; Q28-P30 WeakPolarHBondContact O-CD 3.21Å |
| 29 | S | 56.3 | Low | 57.1 | Low | 83 Ų | 83 | 111 Ų | 111 | 58% | 0.58 | 70% | 0.704 | S | S | * | * | | | trans | -95.1 | 101.3 | 167.8 | -169.9 | 0 | 0 | 0 | 0 | 110 | G31 | S29-G31 PolarHBondContact O-N 3Š|
| 30 | P | 57.3 | Low | 56.8 | Low | 134 Ų | 134 | 110.4 Ų | 110.4 | 87% | 0.87 | 71% | 0.713 | S | S | * | * | | | trans | -73.8 | 18.1 | 170.5 | 33.6 | -36.2 | 0 | 0 | 0 | 112.2 | Q28 | Q28-P30 WeakPolarHBondContact O-CD 3.21Š|
| 31 | G | 60.3 | Low | 56.7 | Low | 63 Ų | 63 | 110.6 Ų | 110.6 | 65% | 0.649 | 72% | 0.721 | S | S | * | * | | | trans | -107.9 | 18 | -165.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | S29 | S29-G31 PolarHBondContact O-N 3Š|
| 32 | S | 56.7 | Low | 56.5 | Low | 116 Ų | 116 | 111.5 Ų | 111.5 | 81% | 0.811 | 74% | 0.736 | S | S | * | * | | | trans | -114.7 | 49.7 | 169.9 | -155.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 33 | R | 61 | Low | 56.3 | Low | 248 Ų | 248 | 112.3 Ų | 112.3 | 94% | 0.936 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -100.6 | 90.7 | 156.6 | -165.9 | 177.3 | -167.9 | 148.5 | 2.3 | 106.7 | | |
| 34 | G | 54.7 | Low | 56.2 | Low | 72 Ų | 72 | 114.8 Ų | 114.8 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | | | trans | 120.3 | 81.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 35 | A | 48.9 | Very low | 55.9 | Low | 97 Ų | 97 | 119.6 Ų | 119.6 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | | | trans | -95.6 | 126.6 | 132.9 | 0 | 0 | 0 | 0 | 0 | 105.4 | | |
| 36 | A | 45 | Very low | 55.7 | Low | 177 Ų | 177 | 126.1 Ų | 126.1 | 100% | 1.463 | 82% | 0.815 | S | S | * | * | | | trans | -54.7 | 0 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |