| 1 | M | 39.9 | Very low | 39.1 | Very low | 241 Ų | 241 | 161.6 Ų | 161.6 | 100% | 1.187 | 86% | 0.858 | S | S | * | * | | | | 0 | 104.2 | 0 | -84.2 | 177.4 | 168.5 | 0 | 0 | 107.1 | | |
| 2 | E | 36.3 | Very low | 39.5 | Very low | 180 Ų | 180 | 158.3 Ų | 158.3 | 84% | 0.841 | 85% | 0.853 | S | S | * | * | | | trans | -97.7 | 122.9 | 176.5 | -66.3 | 175.3 | 179.5 | 0 | 0 | 107.7 | | |
| 3 | V | 42.7 | Very low | 39.1 | Very low | 129 Ų | 129 | 163.8 Ų | 163.8 | 78% | 0.782 | 85% | 0.854 | S | S | * | * | | | trans | -101.3 | 107.4 | 179 | -179.1 | 0 | 0 | 0 | 0 | 107.7 | L5 | V3-L5 PolarHBondContact O-N 3.31Š|
| 4 | Q | 36.4 | Very low | 38.9 | Very low | 173 Ų | 173 | 159.7 Ų | 159.7 | 81% | 0.808 | 84% | 0.842 | S | S | * | * | | | trans | -63.3 | 121.1 | 174.2 | -112.8 | 98.3 | 61.8 | 0 | 0 | 110.1 | G6 | Q4-G6 PolarHBondContact O-N 3.5Š|
| 5 | L | 43 | Very low | 39.2 | Very low | 167 Ų | 167 | 157.6 Ų | 157.6 | 87% | 0.874 | 84% | 0.841 | S | S | * | * | | | trans | -77 | 106.3 | 170.7 | -74.5 | 163.3 | 0 | 0 | 0 | 109.7 | V3 L7 | V3-L5 PolarHBondContact O-N 3.31Å; L5-L7 PolarHBondContact O-N 3.21Å |
| 6 | G | 40.3 | Very low | 39.1 | Very low | 78 Ų | 78 | 153.3 Ų | 153.3 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | | | trans | -73 | 114 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q4 G8 | Q4-G6 PolarHBondContact O-N 3.5Å; G6-G8 PolarHBondContact O-N 3.07Å; G6-G8 VanDerWaalsContact O-N 3.11Å |
| 7 | L | 42.2 | Very low | 39.7 | Very low | 173 Ų | 173 | 156.5 Ų | 156.5 | 91% | 0.906 | 83% | 0.832 | S | S | * | * | | | trans | -66.7 | 103.4 | 172.5 | -76.5 | 160.1 | 0 | 0 | 0 | 111 | L5 R9 | L5-L7 PolarHBondContact O-N 3.21Å; L7-R9 PolarHBondContact O-N 3.06Å |
| 8 | G | 35 | Very low | 40 | Very low | 74 Ų | 74 | 153.3 Ų | 153.3 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | | | trans | -65.8 | 111.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G6 | G6-G8 PolarHBondContact O-N 3.07Å; G6-G8 VanDerWaalsContact O-N 3.11Å |
| 9 | R | 36.5 | Very low | 40.4 | Very low | 221 Ų | 221 | 156.8 Ų | 156.8 | 83% | 0.834 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 125.8 | 173.2 | -72.2 | -174.9 | 173.6 | -163.9 | -1.8 | 110.8 | L7 Y11 | L7-R9 PolarHBondContact O-N 3.06Å; R9-Y11 PolarHBondContact O-N 3.05Å |
| 10 | V | 42 | Very low | 40.9 | Very low | 140 Ų | 140 | 156.6 Ų | 156.6 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -75 | 117.8 | 169 | 178.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 11 | Y | 35.4 | Very low | 41.2 | Very low | 202 Ų | 202 | 151.9 Ų | 151.9 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 136.5 | 168.5 | -79.3 | -93.1 | 0 | 0 | 0 | 110.4 | R9 R13 | R9-Y11 PolarHBondContact O-N 3.05Å; Y11-R13 PolarHBondContact O-N 3.17Å |
| 12 | P | 44.1 | Very low | 41.5 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 127.8 | 173.7 | 28.6 | -33 | 0 | 0 | 0 | 110.6 | | |
| 13 | R | 34.4 | Very low | 42.1 | Very low | 230 Ų | 230 | 141.7 Ų | 141.7 | 87% | 0.868 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -76 | 136.5 | 176.6 | -160.5 | -178 | -165.5 | -179 | 6 | 109.8 | Y11 | Y11-R13 PolarHBondContact O-N 3.17Š|
| 14 | P | 36.1 | Very low | 42.6 | Very low | 106 Ų | 106 | 140.3 Ų | 140.3 | 69% | 0.688 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 149.7 | 177.3 | 25.4 | -34.3 | 0 | 0 | 0 | 111.7 | S16 | P14-S16 PolarHBondContact O-N 3.2Š|
| 15 | P | 43.7 | Very low | 43.4 | Very low | 128 Ų | 128 | 138 Ų | 138 | 83% | 0.831 | 74% | 0.738 | S | S | * | * | | | trans | -71.6 | 102.9 | -172.1 | 28.3 | -34.8 | 0 | 0 | 0 | 111.8 | K17 | P15-K17 PolarHBondContact O-N 3.39Š|
| 16 | S | 38 | Very low | 44.3 | Very low | 89 Ų | 89 | 134.8 Ų | 134.8 | 62% | 0.622 | 72% | 0.721 | S | S | * | * | | | trans | -64.4 | 130.7 | 162.8 | 52.6 | 0 | 0 | 0 | 0 | 109.4 | P14 T18 | P14-S16 PolarHBondContact O-N 3.2Å; S16-T18 PolarHBondContact O-N 3.49Å |
| 17 | K | 48.8 | Very low | 45.1 | Very low | 208 Ų | 208 | 137.3 Ų | 137.3 | 90% | 0.904 | 71% | 0.71 | S | S | * | * | | | trans | -61.5 | 93.8 | -178.8 | -66.7 | 171.4 | -178.7 | 172.1 | 0 | 110.3 | P15 Y19 | P15-K17 PolarHBondContact O-N 3.39Å; K17-Y19 PolarHBondContact O-N 2.98Å |
| 18 | T | 44.5 | Very low | 45.9 | Very low | 99 Ų | 99 | 134.8 Ų | 134.8 | 61% | 0.607 | 69% | 0.693 | S | S | * | * | | | trans | -76.7 | 116.8 | 177.6 | 56 | 0 | 0 | 0 | 0 | 110.3 | S16 R20 | S16-T18 PolarHBondContact O-N 3.49Å; T18-R20 PolarHBondContact O-N 3.06Å |
| 19 | Y | 49.1 | Very low | 46.9 | Very low | 219 Ų | 219 | 134.1 Ų | 134.1 | 86% | 0.859 | 68% | 0.677 | S | S | * | * | | | trans | -72.6 | 57.8 | 169.8 | -120.4 | -93.4 | 0 | 0 | 0 | 110.2 | K17 | K17-Y19 PolarHBondContact O-N 2.98Š|
| 20 | R | 49.7 | Very low | 48 | Very low | 152 Ų | 152 | 126.9 Ų | 126.9 | 57% | 0.574 | 66% | 0.657 | S | S | * | * | | | trans | -95.7 | 1 | -163.4 | -133.6 | -175.3 | -167.8 | -90.9 | 2.3 | 115.4 | T18 Q24 | T18-R20 PolarHBondContact O-N 3.06Å; R20-Q24 PolarHBondContact O-NE2 2.92Å |
| 21 | G | 46.6 | Very low | 48.9 | Very low | 58 Ų | 58 | 127.4 Ų | 127.4 | 60% | 0.598 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -78.9 | -44.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 22 | A | 47.4 | Very low | 49.9 | Very low | 71 Ų | 71 | 123.7 Ų | 123.7 | 59% | 0.587 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -77.1 | -40.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 23 | F | 48.3 | Very low | 50.6 | Low | 137 Ų | 137 | 122.9 Ų | 122.9 | 60% | 0.601 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -78.4 | -27.2 | -174.2 | -74 | -80.7 | 0 | 0 | 0 | 114.1 | L26 F27 | F23-L26 PolarHBondContact O-N 3.2Å; F23-F27 WeakPolarHBondContact O-CD2 2.93Å; F23-F27 PolarHBondContact O-N 3.08Å; F23-F27 VanDerWaalsContact O-N 3.08Å |
| 24 | Q | 53.6 | Low | 51.9 | Low | 99 Ų | 99 | 117.9 Ų | 117.9 | 46% | 0.463 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.9 | -41.4 | 176.1 | -74.7 | -175.4 | 95.2 | 0 | 0 | 111.4 | R20 L26 F27 Q28 | R20-Q24 PolarHBondContact O-NE2 2.92Å; Q24-L26 VanDerWaalsContact C-N 3.34Å; Q24-L26 PolarHBondContact O-N 3.15Å; Q24-F27 PolarHBondContact O-N 3.08Å; Q24-Q28 WeakPolarHBondContact O-CB 3.48Å; Q24-Q28 PolarHBondContact O-N 2.91Å |
| 25 | N | 53.3 | Low | 52.8 | Low | 126 Ų | 126 | 119.9 Ų | 119.9 | 67% | 0.674 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -59.2 | -42.7 | 174.1 | -101.9 | -69.9 | 0 | 0 | 0 | 112.5 | Q28 S29 | N25-Q28 PolarHBondContact O-N 3.36Å; N25-S29 WeakPolarHBondContact O-CB 3.4Å; N25-S29 PolarHBondContact O-N 3.13Å |
| 26 | L | 62 | Low | 52.6 | Low | 99 Ų | 99 | 119.2 Ų | 119.2 | 52% | 0.518 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.5 | -46 | 179.4 | -174.1 | 64.4 | 0 | 0 | 0 | 112.1 | F23 Q24 Q28 S29 V30 | F23-L26 PolarHBondContact O-N 3.2Å; Q24-L26 VanDerWaalsContact C-N 3.34Å; Q24-L26 PolarHBondContact O-N 3.15Å; L26-Q28 VanDerWaalsContact C-N 3.34Å; L26-Q28 PolarHBondContact O-N 3.21Å; L26-S29 PolarHBondContact O-N 3.18Å; L26-V30 HydrophobicContact CD1-CG2 4.35Å; L26-V30 WeakPolarHBondContact O-CB 3.32Å; L26-V30 VanDerWaalsContact O-CG2 3.3Å; L26-V30 WeakPolarHBondContact O-CG2 3.38Å; L26-V30 PolarHBondContact O-N 3.27Å |
| 27 | F | 56.9 | Low | 52.9 | Low | 130 Ų | 130 | 120 Ų | 120 | 57% | 0.57 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -70.1 | -29.4 | 178.1 | -79.4 | -70.9 | 0 | 0 | 0 | 113.2 | F23 Q24 R31 | F23-F27 WeakPolarHBondContact O-CD2 2.93Å; F23-F27 PolarHBondContact O-N 3.08Å; F23-F27 VanDerWaalsContact O-N 3.08Å; Q24-F27 PolarHBondContact O-N 3.08Å; F27-R31 VanDerWaalsContact O-CG 3.29Å; F27-R31 WeakPolarHBondContact O-CG 2.94Å; F27-R31 PolarHBondContact O-N 3.3Å |
| 28 | Q | 58 | Low | 52.6 | Low | 121 Ų | 121 | 112.8 Ų | 112.8 | 57% | 0.565 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -70.7 | -47.6 | 172.9 | -144.9 | 68.8 | 25.4 | 0 | 0 | 110.8 | Q24 N25 L26 V30 R31 E32 | Q24-Q28 WeakPolarHBondContact O-CB 3.48Å; Q24-Q28 PolarHBondContact O-N 2.91Å; N25-Q28 PolarHBondContact O-N 3.36Å; L26-Q28 VanDerWaalsContact C-N 3.34Å; L26-Q28 PolarHBondContact O-N 3.21Å; Q28-V30 PolarHBondContact O-N 3.3Å; Q28-R31 PolarHBondContact O-N 3.44Å; Q28-E32 WeakPolarHBondContact O-CB 3.28Å; Q28-E32 PolarHBondContact O-N 3.04Å |
| 29 | S | 56.7 | Low | 52.5 | Low | 60 Ų | 60 | 114.3 Ų | 114.3 | 42% | 0.42 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -59.8 | -43.4 | 177.5 | 176.7 | 0 | 0 | 0 | 0 | 112.7 | N25 L26 E32 V33 | N25-S29 WeakPolarHBondContact O-CB 3.4Å; N25-S29 PolarHBondContact O-N 3.13Å; L26-S29 PolarHBondContact O-N 3.18Å; S29-E32 PolarHBondContact O-N 2.62Å; S29-V33 WeakPolarHBondContact O-CG2 3.28Å; S29-V33 PolarHBondContact O-N 2.91Å |
| 30 | V | 58.8 | Low | 52.1 | Low | 69 Ų | 69 | 115.3 Ų | 115.3 | 42% | 0.418 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.6 | -38 | 176.4 | 171.4 | 0 | 0 | 0 | 0 | 111.7 | L26 Q28 I34 | L26-V30 HydrophobicContact CD1-CG2 4.35Å; L26-V30 WeakPolarHBondContact O-CB 3.32Å; L26-V30 VanDerWaalsContact O-CG2 3.3Å; L26-V30 WeakPolarHBondContact O-CG2 3.38Å; L26-V30 PolarHBondContact O-N 3.27Å; Q28-V30 PolarHBondContact O-N 3.3Å; V30-I34 HydrophobicContact CG1-CD1 3.78Å; V30-I34 WeakPolarHBondContact O-CD1 3.42Å; V30-I34 VanDerWaalsContact O-CG1 3.24Å; V30-I34 WeakPolarHBondContact O-CG1 3.33Å; V30-I34 PolarHBondContact O-N 3.11Å |
| 31 | R | 61.7 | Low | 51.3 | Low | 150 Ų | 150 | 115.7 Ų | 115.7 | 57% | 0.566 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67 | -39.3 | 173.6 | -74.8 | -176.7 | -159.6 | -168.2 | 7.3 | 112.3 | F27 Q28 I34 Q35 | F27-R31 VanDerWaalsContact O-CG 3.29Å; F27-R31 WeakPolarHBondContact O-CG 2.94Å; F27-R31 PolarHBondContact O-N 3.3Å; Q28-R31 PolarHBondContact O-N 3.44Å; R31-I34 PolarHBondContact O-N 3.17Å; R31-Q35 VanDerWaalsContact O-CB 3.31Å; R31-Q35 WeakPolarHBondContact O-CB 3.42Å; R31-Q35 WeakPolarHBondContact O-CG 3.44Å; R31-Q35 PolarHBondContact O-N 2.84Å |
| 32 | E | 56.1 | Low | 50.9 | Low | 125 Ų | 125 | 117.8 Ų | 117.8 | 58% | 0.584 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -63.6 | -43.3 | 179.3 | -171.4 | 170.5 | -161.9 | 0 | 0 | 111.5 | Q28 S29 I34 Q35 N36 | Q28-E32 WeakPolarHBondContact O-CB 3.28Å; Q28-E32 PolarHBondContact O-N 3.04Å; S29-E32 PolarHBondContact O-N 2.62Å; E32-I34 VanDerWaalsContact C-N 3.32Å; E32-I34 PolarHBondContact O-N 3.44Å; E32-Q35 PolarHBondContact O-N 3.05Å; E32-N36 WeakPolarHBondContact O-CB 3.34Å; E32-N36 PolarHBondContact O-N 3.24Å |
| 33 | V | 58.7 | Low | 50.6 | Low | 104 Ų | 104 | 123.4 Ų | 123.4 | 63% | 0.63 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65 | -31.5 | 174.5 | 170.6 | 0 | 0 | 0 | 0 | 113 | S29 | S29-V33 WeakPolarHBondContact O-CG2 3.28Å; S29-V33 PolarHBondContact O-N 2.91Å |
| 34 | I | 61.9 | Low | 49.9 | Very low | 126 Ų | 126 | 120.3 Ų | 120.3 | 65% | 0.646 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -84.5 | -34.1 | 179.6 | -66.9 | 168.5 | 0 | 0 | 0 | 112 | V30 R31 E32 | V30-I34 HydrophobicContact CG1-CD1 3.78Å; V30-I34 WeakPolarHBondContact O-CD1 3.42Å; V30-I34 VanDerWaalsContact O-CG1 3.24Å; V30-I34 WeakPolarHBondContact O-CG1 3.33Å; V30-I34 PolarHBondContact O-N 3.11Å; R31-I34 PolarHBondContact O-N 3.17Å; E32-I34 VanDerWaalsContact C-N 3.32Å; E32-I34 PolarHBondContact O-N 3.44Å |
| 35 | Q | 54.2 | Low | 49.4 | Very low | 147 Ų | 147 | 121 Ų | 121 | 69% | 0.687 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -88.6 | -23.8 | -178.2 | -67.6 | -176.9 | -2.8 | 0 | 0 | 113.3 | R31 E32 P37 | R31-Q35 VanDerWaalsContact O-CB 3.31Å; R31-Q35 WeakPolarHBondContact O-CB 3.42Å; R31-Q35 WeakPolarHBondContact O-CG 3.44Å; R31-Q35 PolarHBondContact O-N 2.84Å; E32-Q35 PolarHBondContact O-N 3.05Å; Q35-P37 VanDerWaalsContact C-CD 3.48Å; Q35-P37 WeakPolarHBondContact O-CD 3.4Å |
| 36 | N | 40.1 | Very low | 48.8 | Very low | 115 Ų | 115 | 120.5 Ų | 120.5 | 62% | 0.615 | 66% | 0.66 | S | S | * | * | | | trans | -114.9 | 81.2 | 165.7 | -72.3 | -67 | 0 | 0 | 0 | 109.9 | E32 G38 | E32-N36 WeakPolarHBondContact O-CB 3.34Å; E32-N36 PolarHBondContact O-N 3.24Å; N36-G38 PolarHBondContact O-N 2.58Å |
| 37 | P | 45 | Very low | 48 | Very low | 104 Ų | 104 | 120.7 Ų | 120.7 | 68% | 0.675 | 68% | 0.676 | S | S | * | * | | | trans | -59.4 | 109.2 | 157.4 | 27.6 | -31.9 | 0 | 0 | 0 | 107 | Q35 | Q35-P37 VanDerWaalsContact C-CD 3.48Å; Q35-P37 WeakPolarHBondContact O-CD 3.4Å |
| 38 | G | 42.5 | Very low | 47.6 | Very low | 57 Ų | 57 | 118.6 Ų | 118.6 | 59% | 0.588 | 68% | 0.683 | S | S | * | * | | | trans | -51.3 | 147.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | N36 R40 | N36-G38 PolarHBondContact O-N 2.58Å; G38-R40 PolarHBondContact O-N 2.88Å; G38-R40 VanDerWaalsContact O-N 3.1Å |
| 39 | P | 42.1 | Very low | 47.2 | Very low | 131 Ų | 131 | 117.7 Ų | 117.7 | 85% | 0.851 | 69% | 0.688 | S | S | * | * | | | trans | -49.4 | 122.2 | -171.7 | -26.8 | 33.1 | 0 | 0 | 0 | 111.3 | H41 | P39-H41 PolarHBondContact O-N 3.27Š|
| 40 | R | 40.8 | Very low | 47.3 | Very low | 241 Ų | 241 | 120.3 Ų | 120.3 | 91% | 0.909 | 70% | 0.704 | S | S | * | * | | | trans | -55.1 | 112.1 | 175.1 | -80.1 | -92.5 | 169.1 | 86.6 | -2.6 | 107.8 | G38 P42 | G38-R40 PolarHBondContact O-N 2.88Å; G38-R40 VanDerWaalsContact O-N 3.1Å; R40-P42 VanDerWaalsContact O-CD 3.23Å; R40-P42 WeakPolarHBondContact O-CD 3.47Å; R40-P42 VanDerWaalsContact O-N 3.1Å |
| 41 | H | 33.3 | Very low | 47.2 | Very low | 159 Ų | 159 | 119.3 Ų | 119.3 | 74% | 0.736 | 71% | 0.707 | S | S | * | * | | | trans | -44.7 | 109.4 | -179.9 | -178.2 | -83.2 | 0 | 0 | 0 | 111.4 | P39 | P39-H41 PolarHBondContact O-N 3.27Š|
| 42 | P | 36.8 | Very low | 47.5 | Very low | 103 Ų | 103 | 115.5 Ų | 115.5 | 67% | 0.669 | 71% | 0.707 | S | S | * | * | | | trans | -71.4 | 127.3 | 156.8 | 25.7 | -18.1 | 0 | 0 | 0 | 106.8 | R40 A44 | R40-P42 VanDerWaalsContact O-CD 3.23Å; R40-P42 WeakPolarHBondContact O-CD 3.47Å; R40-P42 VanDerWaalsContact O-N 3.1Å; P42-A44 VanDerWaalsContact C-N 3.34Å; P42-A44 PolarHBondContact O-N 3.44Å |
| 43 | E | 41.1 | Very low | 48.4 | Very low | 188 Ų | 188 | 113.9 Ų | 113.9 | 88% | 0.879 | 71% | 0.71 | S | S | * | * | | | trans | -62 | 93.5 | 172.7 | -173.2 | -178 | 148.9 | 0 | 0 | 109.8 | | |
| 44 | A | 34.6 | Very low | 49.7 | Very low | 72 Ų | 72 | 114.3 Ų | 114.3 | 60% | 0.595 | 71% | 0.708 | S | S | * | * | | | trans | -146.9 | 112.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | P42 S46 | P42-A44 VanDerWaalsContact C-N 3.34Å; P42-A44 PolarHBondContact O-N 3.44Å; A44-S46 PolarHBondContact O-N 3.15Å; A44-S46 VanDerWaalsContact O-N 3.07Å |
| 45 | A | 43.8 | Very low | 50.9 | Low | 115 Ų | 115 | 113.7 Ų | 113.7 | 95% | 0.95 | 71% | 0.705 | S | S | * | * | | | trans | -60.6 | 111.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 46 | S | 40.1 | Very low | 52.6 | Low | 114 Ų | 114 | 112 Ų | 112 | 80% | 0.797 | 70% | 0.701 | S | S | * | * | | | trans | -142.3 | 114.8 | 172.3 | -158.2 | 0 | 0 | 0 | 0 | 109.9 | A44 A48 | A44-S46 PolarHBondContact O-N 3.15Å; A44-S46 VanDerWaalsContact O-N 3.07Å; S46-A48 PolarHBondContact O-N 3.42Å |
| 47 | A | 45.6 | Very low | 55 | Low | 103 Ų | 103 | 111.7 Ų | 111.7 | 85% | 0.851 | 70% | 0.698 | S | S | * | * | | | trans | -74.4 | 112.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 48 | A | 47.8 | Very low | 57.2 | Low | 87 Ų | 87 | 112.3 Ų | 112.3 | 72% | 0.719 | 69% | 0.692 | S | S | * | * | | | trans | -73 | 140 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | S46 | S46-A48 PolarHBondContact O-N 3.42Š|
| 49 | P | 50.4 | Low | 59.5 | Low | 101 Ų | 101 | 114.7 Ų | 114.7 | 66% | 0.656 | 69% | 0.688 | S | S | * | * | | | trans | -70.4 | 133.1 | -170.4 | 26.4 | -34.3 | 0 | 0 | 0 | 112.3 | G51 | P49-G51 PolarHBondContact O-N 3.32Š|
| 50 | P | 57.6 | Low | 61.8 | Low | 116 Ų | 116 | 113.6 Ų | 113.6 | 75% | 0.753 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -12.7 | -173.8 | 24.8 | -34.3 | 0 | 0 | 0 | 114.9 | A52 | P50-A52 PolarHBondContact O-N 3.26Š|
| 51 | G | 56.6 | Low | 64.3 | Low | 47 Ų | 47 | 108.4 Ų | 108.4 | 49% | 0.485 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -67.4 | -31.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | P49 S53 L54 L55 | P49-G51 PolarHBondContact O-N 3.32Å; G51-S53 PolarHBondContact O-N 2.89Å; G51-L54 PolarHBondContact O-N 3.35Å; G51-L55 PolarHBondContact O-N 3.47Å |
| 52 | A | 67.3 | Low | 67.1 | Low | 70 Ų | 70 | 106.7 Ų | 106.7 | 58% | 0.579 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -66.8 | -37.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | P50 L56 | P50-A52 PolarHBondContact O-N 3.26Å; A52-L56 WeakPolarHBondContact O-CB 3.39Å; A52-L56 PolarHBondContact O-N 2.93Å; A52-L56 VanDerWaalsContact O-N 3.15Å |
| 53 | S | 76.8 | Confident | 69.7 | Low | 92 Ų | 92 | 107.4 Ų | 107.4 | 64% | 0.643 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -67.5 | -40.8 | 175.9 | -172.4 | 0 | 0 | 0 | 0 | 111.6 | G51 L56 L57 | G51-S53 PolarHBondContact O-N 2.89Å; S53-L56 PolarHBondContact O-N 3.31Å; S53-L57 WeakPolarHBondContact O-CB 3.48Å; S53-L57 PolarHBondContact O-N 3.26Å |
| 54 | L | 84.5 | Confident | 72.1 | Confident | 112 Ų | 112 | 104.1 Ų | 104.1 | 59% | 0.586 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -68.1 | -40.2 | -179.6 | -152.7 | 161.3 | 0 | 0 | 0 | 111.4 | G51 L57 Q58 | G51-L54 PolarHBondContact O-N 3.35Å; L54-L57 PolarHBondContact O-N 3.34Å; L54-Q58 WeakPolarHBondContact O-CB 3.39Å; L54-Q58 PolarHBondContact O-N 2.83Å |
| 55 | L | 88.1 | Confident | 74.9 | Confident | 113 Ų | 113 | 106.6 Ų | 106.6 | 59% | 0.592 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -64.8 | -40.9 | 175.1 | -161.4 | 157.7 | 0 | 0 | 0 | 111.5 | G51 Q58 Q59 | G51-L55 PolarHBondContact O-N 3.47Å; L55-Q58 PolarHBondContact O-N 3.05Å; L55-Q59 WeakPolarHBondContact O-CB 3.41Å; L55-Q59 PolarHBondContact O-N 3.46Å |
| 56 | L | 89.8 | Confident | 77.2 | Confident | 113 Ų | 113 | 106.8 Ų | 106.8 | 59% | 0.592 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.6 | -38.5 | 175.4 | -169.5 | 145.8 | 0 | 0 | 0 | 112.2 | A52 S53 Q59 Q60 | A52-L56 WeakPolarHBondContact O-CB 3.39Å; A52-L56 PolarHBondContact O-N 2.93Å; A52-L56 VanDerWaalsContact O-N 3.15Å; S53-L56 PolarHBondContact O-N 3.31Å; L56-Q59 PolarHBondContact O-N 3.11Å; L56-Q60 WeakPolarHBondContact O-CB 3.37Å; L56-Q60 PolarHBondContact O-N 2.85Å |
| 57 | L | 91.2 | Very high | 79.7 | Confident | 107 Ų | 107 | 107.2 Ų | 107.2 | 56% | 0.56 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.6 | -41.4 | 173.9 | -170.2 | 70.8 | 0 | 0 | 0 | 111.9 | S53 L54 Q60 Q61 | S53-L57 WeakPolarHBondContact O-CB 3.48Å; S53-L57 PolarHBondContact O-N 3.26Å; L54-L57 PolarHBondContact O-N 3.34Å; L57-Q60 PolarHBondContact O-N 3.19Å; L57-Q61 PolarHBondContact O-N 3.36Å |
| 58 | Q | 90.5 | Very high | 81.9 | Confident | 118 Ų | 118 | 108.1 Ų | 108.1 | 55% | 0.551 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.3 | -43.9 | 175.9 | -173.7 | -178.9 | 93 | 0 | 0 | 111.4 | L54 L55 Q60 Q61 Q62 | L54-Q58 WeakPolarHBondContact O-CB 3.39Å; L54-Q58 PolarHBondContact O-N 2.83Å; L55-Q58 PolarHBondContact O-N 3.05Å; Q58-Q60 VanDerWaalsContact C-N 3.34Å; Q58-Q60 PolarHBondContact O-N 2.91Å; Q58-Q61 PolarHBondContact O-N 2.8Å; Q58-Q62 WeakPolarHBondContact O-CB 3.33Å; Q58-Q62 PolarHBondContact O-N 2.66Å |
| 59 | Q | 90.3 | Very high | 84.1 | Confident | 107 Ų | 107 | 110 Ų | 110 | 50% | 0.5 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60.1 | -44.2 | 174.4 | -168.5 | -161.4 | 108.4 | 0 | 0 | 111.4 | L55 L56 Q61 Q62 Q63 | L55-Q59 WeakPolarHBondContact O-CB 3.41Å; L55-Q59 PolarHBondContact O-N 3.46Å; L56-Q59 PolarHBondContact O-N 3.11Å; Q59-Q61 PolarHBondContact O-N 3.38Å; Q59-Q62 PolarHBondContact O-N 2.93Å; Q59-Q63 PolarHBondContact O-N 3.33Å |
| 60 | Q | 91.3 | Very high | 86 | Confident | 107 Ų | 107 | 111.1 Ų | 111.1 | 50% | 0.5 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.9 | -43.2 | 177.1 | -171.4 | -173.7 | 108.2 | 0 | 0 | 111.8 | L56 L57 Q58 Q63 Q64 | L56-Q60 WeakPolarHBondContact O-CB 3.37Å; L56-Q60 PolarHBondContact O-N 2.85Å; L57-Q60 PolarHBondContact O-N 3.19Å; Q58-Q60 VanDerWaalsContact C-N 3.34Å; Q58-Q60 PolarHBondContact O-N 2.91Å; Q60-Q63 PolarHBondContact O-N 3.1Å; Q60-Q64 WeakPolarHBondContact O-CB 3.37Å; Q60-Q64 PolarHBondContact O-N 2.98Å |
| 61 | Q | 92.3 | Very high | 87.6 | Confident | 133 Ų | 133 | 111.1 Ų | 111.1 | 62% | 0.621 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.8 | -42.2 | 177 | -171.8 | -179.9 | 88.9 | 0 | 0 | 111.6 | L57 Q58 Q59 Q64 Q65 | L57-Q61 PolarHBondContact O-N 3.36Å; Q58-Q61 PolarHBondContact O-N 2.8Å; Q59-Q61 PolarHBondContact O-N 3.38Å; Q61-Q64 PolarHBondContact O-N 3.3Å; Q61-Q65 PolarHBondContact O-N 2.92Å |
| 62 | Q | 91.9 | Very high | 89.2 | Confident | 122 Ų | 122 | 114.4 Ų | 114.4 | 57% | 0.57 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.8 | -39.7 | 179.1 | -161.5 | 176.1 | 80.4 | 0 | 0 | 112.2 | Q58 Q59 Q65 Q66 | Q58-Q62 WeakPolarHBondContact O-CB 3.33Å; Q58-Q62 PolarHBondContact O-N 2.66Å; Q59-Q62 PolarHBondContact O-N 2.93Å; Q62-Q65 PolarHBondContact O-N 3.28Å; Q62-Q66 PolarHBondContact O-N 2.95Å; Q62-Q66 VanDerWaalsContact O-N 3.12Å |
| 63 | Q | 91.4 | Very high | 90.3 | Very high | 118 Ų | 118 | 116.9 Ų | 116.9 | 55% | 0.551 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -60.6 | -44.2 | 170.8 | -106.7 | -178.1 | 49.4 | 0 | 0 | 112.3 | Q59 Q60 Q65 Q66 Q67 | Q59-Q63 PolarHBondContact O-N 3.33Å; Q60-Q63 PolarHBondContact O-N 3.1Å; Q63-Q65 VanDerWaalsContact C-N 3.29Å; Q63-Q65 PolarHBondContact O-N 3.48Å; Q63-Q66 PolarHBondContact O-N 2.97Å; Q63-Q67 PolarHBondContact O-N 3.34Å; Q63-Q67 VanDerWaalsContact O-N 3.08Å |
| 64 | Q | 92.7 | Very high | 90.8 | Very high | 120 Ų | 120 | 118 Ų | 118 | 56% | 0.561 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.5 | -36.4 | -179.8 | -158.1 | 177 | 111.4 | 0 | 0 | 111.5 | Q60 Q61 Q67 Q68 | Q60-Q64 WeakPolarHBondContact O-CB 3.37Å; Q60-Q64 PolarHBondContact O-N 2.98Å; Q61-Q64 PolarHBondContact O-N 3.3Å; Q64-Q67 PolarHBondContact O-N 3.31Å; Q64-Q68 PolarHBondContact O-N 2.88Å; Q64-Q68 VanDerWaalsContact O-N 3.1Å |
| 65 | Q | 93.1 | Very high | 90.9 | Very high | 123 Ų | 123 | 118.4 Ų | 118.4 | 58% | 0.575 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69.8 | -41.3 | 177.9 | -159.5 | 175 | 87.1 | 0 | 0 | 112.6 | Q61 Q62 Q63 Q67 Q68 Q69 | Q61-Q65 PolarHBondContact O-N 2.92Å; Q62-Q65 PolarHBondContact O-N 3.28Å; Q63-Q65 VanDerWaalsContact C-N 3.29Å; Q63-Q65 PolarHBondContact O-N 3.48Å; Q65-Q67 PolarHBondContact O-N 3.27Å; Q65-Q68 PolarHBondContact O-N 3.32Å; Q65-Q69 PolarHBondContact O-N 3.28Å; Q65-Q69 VanDerWaalsContact O-N 3.1Å |
| 66 | Q | 92.3 | Very high | 90.8 | Very high | 119 Ų | 119 | 118.5 Ų | 118.5 | 56% | 0.556 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61 | -43.3 | 171.9 | -76.5 | -171.4 | 10.8 | 0 | 0 | 112.2 | Q62 Q63 Q68 Q69 Q70 | Q62-Q66 PolarHBondContact O-N 2.95Å; Q62-Q66 VanDerWaalsContact O-N 3.12Å; Q63-Q66 PolarHBondContact O-N 2.97Å; Q66-Q68 VanDerWaalsContact C-N 3.25Å; Q66-Q68 PolarHBondContact O-N 2.85Å; Q66-Q69 PolarHBondContact O-N 3.46Å; Q66-Q70 PolarHBondContact O-N 2.98Å |
| 67 | Q | 92.1 | Very high | 90.5 | Very high | 124 Ų | 124 | 119.1 Ų | 119.1 | 58% | 0.579 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65 | -32.3 | -179.4 | -160.5 | 173.3 | 99 | 0 | 0 | 111.9 | Q63 Q64 Q65 Q71 | Q63-Q67 PolarHBondContact O-N 3.34Å; Q63-Q67 VanDerWaalsContact O-N 3.08Å; Q64-Q67 PolarHBondContact O-N 3.31Å; Q65-Q67 PolarHBondContact O-N 3.27Å; Q67-Q71 PolarHBondContact O-N 3Å |
| 68 | Q | 92.8 | Very high | 89.9 | Confident | 121 Ų | 121 | 119.7 Ų | 119.7 | 57% | 0.565 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -72.4 | -37.7 | 175 | -159.4 | 172.5 | 90.7 | 0 | 0 | 112.5 | Q64 Q65 Q66 Q71 Q72 | Q64-Q68 PolarHBondContact O-N 2.88Å; Q64-Q68 VanDerWaalsContact O-N 3.1Å; Q65-Q68 PolarHBondContact O-N 3.32Å; Q66-Q68 VanDerWaalsContact C-N 3.25Å; Q66-Q68 PolarHBondContact O-N 2.85Å; Q68-Q71 PolarHBondContact O-N 3.39Å; Q68-Q72 PolarHBondContact O-N 3.41Å; Q68-Q72 VanDerWaalsContact O-N 3.14Å |
| 69 | Q | 92.5 | Very high | 89.3 | Confident | 126 Ų | 126 | 120 Ų | 120 | 59% | 0.589 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.2 | -42.2 | 171.7 | -84.4 | -172.1 | 6 | 0 | 0 | 112.7 | Q65 Q66 Q71 Q72 Q73 | Q65-Q69 PolarHBondContact O-N 3.28Å; Q65-Q69 VanDerWaalsContact O-N 3.1Å; Q66-Q69 PolarHBondContact O-N 3.46Å; Q69-Q71 VanDerWaalsContact C-N 3.32Å; Q69-Q71 PolarHBondContact O-N 3.27Å; Q69-Q72 PolarHBondContact O-N 3.4Å; Q69-Q73 PolarHBondContact O-N 3Å |
| 70 | Q | 91.2 | Very high | 88.4 | Confident | 125 Ų | 125 | 121.6 Ų | 121.6 | 58% | 0.584 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.7 | -38.9 | 176.5 | -75.5 | -171.9 | 7.2 | 0 | 0 | 112.3 | Q66 Q73 Q74 | Q66-Q70 PolarHBondContact O-N 2.98Å; Q70-Q73 PolarHBondContact O-N 3.41Å; Q70-Q74 PolarHBondContact O-N 3.14Å |
| 71 | Q | 90.9 | Very high | 87 | Confident | 117 Ų | 117 | 123.7 Ų | 123.7 | 55% | 0.547 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65 | -38.9 | 174.5 | -75.8 | -173 | 24.7 | 0 | 0 | 112.7 | Q67 Q68 Q69 Q74 Q75 | Q67-Q71 PolarHBondContact O-N 3Å; Q68-Q71 PolarHBondContact O-N 3.39Å; Q69-Q71 VanDerWaalsContact C-N 3.32Å; Q69-Q71 PolarHBondContact O-N 3.27Å; Q71-Q74 PolarHBondContact O-N 3.2Å; Q71-Q75 PolarHBondContact O-N 3.06Å |
| 72 | Q | 90.6 | Very high | 85.5 | Confident | 116 Ų | 116 | 121.4 Ų | 121.4 | 54% | 0.542 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.1 | -41.6 | 174.8 | -76.3 | -170.2 | 4.2 | 0 | 0 | 112.3 | Q68 Q69 Q75 Q76 | Q68-Q72 PolarHBondContact O-N 3.41Å; Q68-Q72 VanDerWaalsContact O-N 3.14Å; Q69-Q72 PolarHBondContact O-N 3.4Å; Q72-Q75 PolarHBondContact O-N 3.48Å; Q72-Q76 PolarHBondContact O-N 3.42Å |
| 73 | Q | 89.3 | Confident | 84 | Confident | 122 Ų | 122 | 119.3 Ų | 119.3 | 57% | 0.57 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.8 | -41.9 | 174.8 | -76.7 | -170.9 | 3.3 | 0 | 0 | 112.2 | Q69 Q70 Q75 Q76 Q77 | Q69-Q73 PolarHBondContact O-N 3Å; Q70-Q73 PolarHBondContact O-N 3.41Å; Q73-Q75 VanDerWaalsContact C-N 3.35Å; Q73-Q75 PolarHBondContact O-N 3.33Å; Q73-Q76 PolarHBondContact O-N 3.19Å; Q73-Q77 WeakPolarHBondContact O-CG 3.31Å; Q73-Q77 PolarHBondContact O-N 2.81Å |
| 74 | Q | 87.9 | Confident | 82.5 | Confident | 116 Ų | 116 | 117.2 Ų | 117.2 | 54% | 0.542 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.7 | -37.1 | 174.7 | -78.3 | -172 | 3.8 | 0 | 0 | 112.9 | Q70 Q71 Q78 | Q70-Q74 PolarHBondContact O-N 3.14Å; Q71-Q74 PolarHBondContact O-N 3.2Å; Q74-Q78 WeakPolarHBondContact O-CB 3.37Å; Q74-Q78 WeakPolarHBondContact O-CG 3.35Å; Q74-Q78 PolarHBondContact O-N 2.92Å |
| 75 | Q | 87.3 | Confident | 80.8 | Confident | 119 Ų | 119 | 119 Ų | 119 | 56% | 0.556 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.9 | -38.3 | 174 | -79.6 | -170.4 | 12 | 0 | 0 | 112.7 | Q71 Q72 Q73 Q78 Q79 | Q71-Q75 PolarHBondContact O-N 3.06Å; Q72-Q75 PolarHBondContact O-N 3.48Å; Q73-Q75 VanDerWaalsContact C-N 3.35Å; Q73-Q75 PolarHBondContact O-N 3.33Å; Q75-Q78 PolarHBondContact O-N 3.41Å; Q75-Q79 WeakPolarHBondContact O-CG 3.36Å; Q75-Q79 PolarHBondContact O-N 3.32Å |
| 76 | Q | 85.7 | Confident | 79.3 | Confident | 116 Ų | 116 | 119.5 Ų | 119.5 | 54% | 0.542 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67 | -40.9 | 175.2 | -73.5 | -172.2 | 18.9 | 0 | 0 | 111.9 | Q72 Q73 Q79 Q80 | Q72-Q76 PolarHBondContact O-N 3.42Å; Q73-Q76 PolarHBondContact O-N 3.19Å; Q76-Q79 PolarHBondContact O-N 3.42Å; Q76-Q80 WeakPolarHBondContact O-CG 3.41Å; Q76-Q80 PolarHBondContact O-N 3.35Å |
| 77 | Q | 82.8 | Confident | 77.7 | Confident | 125 Ų | 125 | 120.1 Ų | 120.1 | 58% | 0.584 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.9 | -46.3 | 173.7 | -73.9 | 179.9 | 9.4 | 0 | 0 | 111.3 | Q73 Q79 Q80 E81 | Q73-Q77 WeakPolarHBondContact O-CG 3.31Å; Q73-Q77 PolarHBondContact O-N 2.81Å; Q77-Q79 VanDerWaalsContact C-N 3.3Å; Q77-Q79 PolarHBondContact O-N 2.77Å; Q77-Q80 PolarHBondContact O-N 3.08Å; Q77-E81 WeakPolarHBondContact O-CB 3.29Å; Q77-E81 PolarHBondContact O-N 3.32Å |
| 78 | Q | 79.8 | Confident | 76.2 | Confident | 119 Ų | 119 | 121.1 Ų | 121.1 | 56% | 0.556 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -60.9 | -36.3 | 175.7 | -77.3 | 177.2 | 57.6 | 0 | 0 | 112.9 | Q74 Q75 T82 | Q74-Q78 WeakPolarHBondContact O-CB 3.37Å; Q74-Q78 WeakPolarHBondContact O-CG 3.35Å; Q74-Q78 PolarHBondContact O-N 2.92Å; Q75-Q78 PolarHBondContact O-N 3.41Å; Q78-T82 WeakPolarHBondContact O-CB 3.3Å; Q78-T82 VanDerWaalsContact O-CG2 3.28Å; Q78-T82 WeakPolarHBondContact O-CG2 3.45Å; Q78-T82 PolarHBondContact O-N 3.33Å; Q78-T82 PolarHBondContact O-OG1 3.1Å |
| 79 | Q | 76.3 | Confident | 74.5 | Confident | 125 Ų | 125 | 120.4 Ų | 120.4 | 58% | 0.584 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -69.7 | -40.4 | 174.6 | -75.6 | 177.7 | 63.7 | 0 | 0 | 112.5 | Q75 Q76 Q77 E81 T82 S83 | Q75-Q79 WeakPolarHBondContact O-CG 3.36Å; Q75-Q79 PolarHBondContact O-N 3.32Å; Q76-Q79 PolarHBondContact O-N 3.42Å; Q77-Q79 VanDerWaalsContact C-N 3.3Å; Q77-Q79 PolarHBondContact O-N 2.77Å; Q79-E81 VanDerWaalsContact C-N 3.33Å; Q79-T82 PolarHBondContact O-OG1 3.08Å; Q79-S83 WeakPolarHBondContact O-CB 3.23Å; Q79-S83 PolarHBondContact O-N 3.46Å; Q79-S83 VanDerWaalsContact O-N 3.11Å |
| 80 | Q | 72.8 | Confident | 72.8 | Confident | 141 Ų | 141 | 121 Ų | 121 | 66% | 0.659 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.3 | -29.9 | 175.1 | -72.7 | -177.4 | 34.9 | 0 | 0 | 113 | Q76 Q77 P84 | Q76-Q80 WeakPolarHBondContact O-CG 3.41Å; Q76-Q80 PolarHBondContact O-N 3.35Å; Q77-Q80 PolarHBondContact O-N 3.08Å; Q80-P84 WeakPolarHBondContact O-CD 3.4Å; Q80-P84 WeakPolarHBondContact O-CG 3.2Å |
| 81 | E | 62.1 | Low | 70.8 | Confident | 151 Ų | 151 | 122.5 Ų | 122.5 | 71% | 0.706 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -83.2 | -36.8 | 177.8 | -150.3 | -176.8 | 153.1 | 0 | 0 | 111.9 | Q77 Q79 R85 | Q77-E81 WeakPolarHBondContact O-CB 3.29Å; Q77-E81 PolarHBondContact O-N 3.32Å; Q79-E81 VanDerWaalsContact C-N 3.33Å; E81-R85 WeakPolarHBondContact O-CB 3.46Å |
| 82 | T | 59.5 | Low | 68.7 | Low | 85 Ų | 85 | 120.1 Ų | 120.1 | 52% | 0.521 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -73 | -36 | 178.6 | 48.7 | 0 | 0 | 0 | 0 | 113.4 | Q78 Q79 R85 Q86 | Q78-T82 WeakPolarHBondContact O-CB 3.3Å; Q78-T82 VanDerWaalsContact O-CG2 3.28Å; Q78-T82 WeakPolarHBondContact O-CG2 3.45Å; Q78-T82 PolarHBondContact O-N 3.33Å; Q78-T82 PolarHBondContact O-OG1 3.1Å; Q79-T82 PolarHBondContact O-OG1 3.08Å; T82-R85 PolarHBondContact O-N 3.41Å; T82-Q86 VanDerWaalsContact O-CB 3.28Å; T82-Q86 WeakPolarHBondContact O-CB 3.46Å; T82-Q86 PolarHBondContact O-N 3.1Å |
| 83 | S | 61 | Low | 66.6 | Low | 78 Ų | 78 | 122.6 Ų | 122.6 | 55% | 0.545 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -57.4 | -55.3 | -177.7 | -173 | 0 | 0 | 0 | 0 | 114.4 | Q79 R85 Q87 | Q79-S83 WeakPolarHBondContact O-CB 3.23Å; Q79-S83 PolarHBondContact O-N 3.46Å; Q79-S83 VanDerWaalsContact O-N 3.11Å; S83-R85 VanDerWaalsContact C-N 3.34Å; S83-R85 PolarHBondContact O-N 3.23Å; S83-Q87 PolarHBondContact O-N 3.12Å |
| 84 | P | 59.8 | Low | 64.2 | Low | 74 Ų | 74 | 123.4 Ų | 123.4 | 48% | 0.481 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -68.9 | -33.7 | 177.8 | 28.5 | -34.9 | 0 | 0 | 0 | 112 | Q80 Q87 Q88 | Q80-P84 WeakPolarHBondContact O-CD 3.4Å; Q80-P84 WeakPolarHBondContact O-CG 3.2Å; P84-Q87 PolarHBondContact O-N 3.49Å; P84-Q88 WeakPolarHBondContact O-CB 3.37Å; P84-Q88 PolarHBondContact O-N 3.41Å |
| 85 | R | 57.4 | Low | 61.9 | Low | 157 Ų | 157 | 121.3 Ų | 121.3 | 59% | 0.592 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.5 | -35.7 | -177.5 | -145.5 | -80.7 | 163.6 | 172.2 | -3.1 | 111.5 | E81 T82 S83 Q89 | E81-R85 WeakPolarHBondContact O-CB 3.46Å; T82-R85 PolarHBondContact O-N 3.41Å; S83-R85 VanDerWaalsContact C-N 3.34Å; S83-R85 PolarHBondContact O-N 3.23Å; R85-Q89 WeakPolarHBondContact O-CB 3.48Å; R85-Q89 PolarHBondContact O-N 3.03Å; R85-Q89 VanDerWaalsContact O-N 3.15Å |
| 86 | Q | 60.7 | Low | 59.9 | Low | 133 Ų | 133 | 120.2 Ų | 120.2 | 62% | 0.621 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -73.1 | -33.3 | 174.7 | -162.5 | 174.4 | 59.7 | 0 | 0 | 112.2 | T82 Q90 | T82-Q86 VanDerWaalsContact O-CB 3.28Å; T82-Q86 WeakPolarHBondContact O-CB 3.46Å; T82-Q86 PolarHBondContact O-N 3.1Å; Q86-Q90 PolarHBondContact O-N 3.01Å |
| 87 | Q | 59.8 | Low | 58 | Low | 132 Ų | 132 | 120.5 Ų | 120.5 | 62% | 0.617 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -68.8 | -43.3 | 174.2 | -128.6 | 177.8 | 32.4 | 0 | 0 | 112.2 | S83 P84 Q89 Q90 Q91 | S83-Q87 PolarHBondContact O-N 3.12Å; P84-Q87 PolarHBondContact O-N 3.49Å; Q87-Q89 VanDerWaalsContact C-N 3.29Å; Q87-Q89 PolarHBondContact O-N 3.41Å; Q87-Q90 PolarHBondContact O-N 3.27Å; Q87-Q91 PolarHBondContact O-N 3.06Å |
| 88 | Q | 60.3 | Low | 55.9 | Low | 145 Ų | 145 | 122.1 Ų | 122.1 | 68% | 0.678 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -67.1 | -31 | 177.3 | -166.2 | 172.4 | 39.5 | 0 | 0 | 112.2 | P84 Q91 G92 | P84-Q88 WeakPolarHBondContact O-CB 3.37Å; P84-Q88 PolarHBondContact O-N 3.41Å; Q88-Q91 PolarHBondContact O-N 3.13Å; Q88-G92 PolarHBondContact O-N 3.28Å; Q88-G92 VanDerWaalsContact O-N 3.17Å |
| 89 | Q | 57.9 | Low | 53.7 | Low | 107 Ų | 107 | 120.7 Ų | 120.7 | 50% | 0.5 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -71.6 | -34.2 | 176.7 | -160.8 | 160.4 | -7.2 | 0 | 0 | 112.2 | R85 Q87 G92 | R85-Q89 WeakPolarHBondContact O-CB 3.48Å; R85-Q89 PolarHBondContact O-N 3.03Å; R85-Q89 VanDerWaalsContact O-N 3.15Å; Q87-Q89 VanDerWaalsContact C-N 3.29Å; Q87-Q89 PolarHBondContact O-N 3.41Å; Q89-G92 PolarHBondContact O-N 3.26Å |
| 90 | Q | 56.2 | Low | 52.1 | Low | 137 Ų | 137 | 123 Ų | 123 | 64% | 0.64 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -69.1 | -30.9 | 172.3 | -72.7 | 175.2 | 51.3 | 0 | 0 | 113.5 | Q86 Q87 G92 | Q86-Q90 PolarHBondContact O-N 3.01Å; Q87-Q90 PolarHBondContact O-N 3.27Å; Q90-G92 VanDerWaalsContact C-N 3.32Å |
| 91 | Q | 48.7 | Very low | 50.4 | Low | 158 Ų | 158 | 127.9 Ų | 127.9 | 74% | 0.738 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -78.5 | -15.5 | 173.1 | -69.2 | -175.3 | 9.4 | 0 | 0 | 113.4 | Q87 Q88 | Q87-Q91 PolarHBondContact O-N 3.06Å; Q88-Q91 PolarHBondContact O-N 3.13Å |
| 92 | G | 47.4 | Very low | 49.2 | Very low | 66 Ų | 66 | 132.4 Ų | 132.4 | 68% | 0.68 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -81.9 | -13.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q88 Q89 Q90 | Q88-G92 PolarHBondContact O-N 3.28Å; Q88-G92 VanDerWaalsContact O-N 3.17Å; Q89-G92 PolarHBondContact O-N 3.26Å; Q90-G92 VanDerWaalsContact C-N 3.32Å |
| 93 | E | 46 | Very low | 48.2 | Very low | 168 Ų | 168 | 131 Ų | 131 | 79% | 0.785 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -103.8 | -6.8 | -174.8 | -64.2 | -170 | 115.9 | 0 | 0 | 114 | G95 | E93-G95 PolarHBondContact O-N 3.35Å; E93-G95 VanDerWaalsContact O-N 3.08Å |
| 94 | D | 38.9 | Very low | 47.4 | Very low | 139 Ų | 139 | 133.5 Ų | 133.5 | 74% | 0.743 | 71% | 0.706 | S | S | * | * | | | trans | -88.2 | 74.2 | -178.5 | -154 | -5.6 | 0 | 0 | 0 | 112.4 | S96 | D94-S96 VanDerWaalsContact C-N 3.31Å; D94-S96 PolarHBondContact O-N 2.89Å |
| 95 | G | 39.9 | Very low | 46.2 | Very low | 73 Ų | 73 | 136.4 Ų | 136.4 | 75% | 0.753 | 72% | 0.723 | S | S | * | * | | | trans | -67.5 | 81.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E93 | E93-G95 PolarHBondContact O-N 3.35Å; E93-G95 VanDerWaalsContact O-N 3.08Å |
| 96 | S | 44.9 | Very low | 45.1 | Very low | 95 Ų | 95 | 132 Ų | 132 | 66% | 0.664 | 73% | 0.726 | S | S | * | * | | | trans | -52.1 | 152.1 | -176.1 | -166.3 | 0 | 0 | 0 | 0 | 115.6 | D94 Q98 | D94-S96 VanDerWaalsContact C-N 3.31Å; D94-S96 PolarHBondContact O-N 2.89Å; S96-Q98 PolarHBondContact OG-N 3.45Å; S96-Q98 VanDerWaalsContact OG-N 3.07Å |
| 97 | P | 46 | Very low | 43.9 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | | | | -123.4 | 108.3 | 126.4 | 34.7 | -29.5 | 0 | 0 | 0 | 113.7 | | |
| 98 | Q | 38.6 | Very low | 42.7 | Very low | 159 Ų | 159 | 138.3 Ų | 138.3 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | | | trans | 41.1 | 85.1 | 138.6 | -162.3 | -179.5 | 7.6 | 0 | 0 | 118 | S96 | S96-Q98 PolarHBondContact OG-N 3.45Å; S96-Q98 VanDerWaalsContact OG-N 3.07Å |
| 99 | A | 33.5 | Very low | 41.2 | Very low | 90 Ų | 90 | 138.3 Ų | 138.3 | 74% | 0.744 | 76% | 0.761 | S | S | * | * | | | trans | -113.9 | 125.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | R101 | A99-R101 PolarHBondContact O-N 2.92Š|
| 100 | H | 43.6 | Very low | 40.2 | Very low | 173 Ų | 173 | 140.3 Ų | 140.3 | 80% | 0.801 | 77% | 0.774 | S | S | * | * | | | trans | -68.2 | 102.5 | -178.4 | -77.9 | 59.7 | 0 | 0 | 0 | 111.6 | | |
| 101 | R | 35.7 | Very low | 39.1 | Very low | 244 Ų | 244 | 141.3 Ų | 141.3 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | | | trans | -98.6 | 92.9 | 164.2 | -79 | -81.5 | 179.4 | 150.6 | -1 | 109.5 | A99 G103 | A99-R101 PolarHBondContact O-N 2.92Å; R101-G103 PolarHBondContact O-N 3Å |
| 102 | R | 36.6 | Very low | 38.4 | Very low | 246 Ų | 246 | 142.2 Ų | 142.2 | 93% | 0.928 | 79% | 0.789 | S | S | * | * | | | trans | -56.4 | 111.9 | 170.5 | 175.6 | -172.3 | -81 | 173.1 | -8.2 | 109.5 | | |
| 103 | G | 39.1 | Very low | 37.6 | Very low | 54 Ų | 54 | 147.7 Ų | 147.7 | 56% | 0.557 | 80% | 0.797 | S | S | * | * | | | trans | -72.5 | 150 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R101 T105 | R101-G103 PolarHBondContact O-N 3Å; G103-T105 PolarHBondContact O-N 3.2Å |
| 104 | P | 44.5 | Very low | 36.7 | Very low | 132 Ų | 132 | 148.8 Ų | 148.8 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | | | trans | -75.4 | 116 | 169.3 | -4.4 | 21.7 | 0 | 0 | 0 | 109.5 | | |
| 105 | T | 34.3 | Very low | 36.1 | Very low | 135 Ų | 135 | 150.5 Ų | 150.5 | 83% | 0.828 | 81% | 0.805 | S | S | * | * | | | trans | -57.7 | 135.7 | 166.3 | -54.9 | 0 | 0 | 0 | 0 | 109.5 | G103 | G103-T105 PolarHBondContact O-N 3.2Š|
| 106 | G | 34.5 | Very low | 36 | Very low | 64 Ų | 64 | 151.9 Ų | 151.9 | 66% | 0.66 | 80% | 0.801 | S | S | * | * | | | trans | -72.3 | 169.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 107 | Y | 34.7 | Very low | 35.1 | Very low | 235 Ų | 235 | 153.4 Ų | 153.4 | 92% | 0.922 | 81% | 0.811 | S | S | * | * | | | trans | -119.6 | 142.5 | 161 | -95.1 | -93.1 | 0 | 0 | 0 | 109.8 | | |
| 108 | L | 35.2 | Very low | 34.1 | Very low | 163 Ų | 163 | 156.2 Ų | 156.2 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | | | trans | -69 | 133 | 178.5 | -60.5 | 162.2 | 0 | 0 | 0 | 109.4 | | |
| 109 | V | 30.1 | Very low | 34.1 | Very low | 144 Ų | 144 | 153.1 Ų | 153.1 | 87% | 0.873 | 81% | 0.808 | S | S | * | * | | | trans | -96.9 | 112.6 | 156.3 | 172.1 | 0 | 0 | 0 | 0 | 105.9 | | |
| 110 | L | 36.4 | Very low | 33.8 | Very low | 149 Ų | 149 | 157.2 Ų | 157.2 | 78% | 0.78 | 81% | 0.811 | S | S | * | * | | | trans | -75.9 | 138 | 167.2 | -76.3 | 166.9 | 0 | 0 | 0 | 108.7 | | |
| 111 | D | 32.8 | Very low | 33 | Very low | 159 Ų | 159 | 154.1 Ų | 154.1 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | | | trans | -76.1 | 115.6 | 168.4 | -170.6 | -104.7 | 0 | 0 | 0 | 107.9 | | |
| 112 | E | 33.4 | Very low | 32.5 | Very low | 177 Ų | 177 | 147.2 Ų | 147.2 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | | | trans | -145.3 | 95.1 | 166 | -144.6 | 172.8 | 118.4 | 0 | 0 | 110.3 | | |
| 113 | E | 31.1 | Very low | 32.2 | Very low | 181 Ų | 181 | 143.6 Ų | 143.6 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | | | trans | 0.7 | 122.1 | 149.7 | -168.3 | -179.1 | 116.8 | 0 | 0 | 117.5 | | |
| 114 | Q | 27.3 | Very low | 31.5 | Very low | 190 Ų | 190 | 149 Ų | 149 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | | | trans | -147.6 | 105.6 | 164.7 | -164 | 164 | 19 | 0 | 0 | 115.8 | | |
| 115 | Q | 25.1 | Very low | 30.5 | Very low | 175 Ų | 175 | 148.5 Ų | 148.5 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | -171 | 159.9 | 144.6 | -95.9 | -132.4 | -26.9 | 0 | 0 | 109.4 | | |
| 116 | P | 38.1 | Very low | 30.2 | Very low | 102 Ų | 102 | 150.6 Ų | 150.6 | 66% | 0.662 | 81% | 0.812 | S | S | * | * | | | cis | -134.5 | 160.9 | -15.4 | 37.8 | -22.2 | 0 | 0 | 0 | 114.3 | | |
| 117 | S | 27 | Very low | 30.6 | Very low | 127 Ų | 127 | 153.1 Ų | 153.1 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | | | trans | -180 | 152.7 | 139.9 | 28.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 118 | Q | 25.4 | Very low | 30.4 | Very low | 181 Ų | 181 | 148.5 Ų | 148.5 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | | | trans | -96.9 | -162.5 | 174 | -46.5 | -172.6 | -8 | 0 | 0 | 110.4 | | |
| 119 | P | 38.9 | Very low | 30 | Very low | 95 Ų | 95 | 150.9 Ų | 150.9 | 62% | 0.617 | 80% | 0.801 | S | S | * | * | | | cis | -137.2 | -161.9 | -11 | 26.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 120 | Q | 25.2 | Very low | 29.9 | Very low | 175 Ų | 175 | 147.5 Ų | 147.5 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | 81.7 | 151.4 | 162.2 | -55.4 | -174.2 | -47.1 | 0 | 0 | 117.1 | | |
| 121 | S | 27 | Very low | 29.5 | Very low | 109 Ų | 109 | 147 Ų | 147 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | | | cis | -164.4 | 169.9 | -21.5 | -96.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 122 | A | 25.1 | Very low | 29.5 | Very low | 98 Ų | 98 | 145.6 Ų | 145.6 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | | | trans | -66.9 | 153.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 123 | L | 30.2 | Very low | 29.9 | Very low | 170 Ų | 170 | 143.1 Ų | 143.1 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | | | trans | -162.3 | 108.9 | 153.8 | -96 | 150.6 | 0 | 0 | 0 | 105.9 | | |
| 124 | E | 25.1 | Very low | 29.7 | Very low | 168 Ų | 168 | 141.8 Ų | 141.8 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | | | | 91.7 | 139.9 | 68.7 | -161.7 | 82.1 | 154.8 | 0 | 0 | 112.8 | | |
| 125 | C | 23.8 | Very low | 30.6 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | | | trans | 85 | 98.7 | 171.1 | -67.4 | 0 | 0 | 0 | 0 | 121.3 | | |
| 126 | H | 28 | Very low | 30.7 | Very low | 179 Ų | 179 | 133 Ų | 133 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | | | trans | -69.6 | 160.1 | 143.5 | -81.1 | -80.8 | 0 | 0 | 0 | 111.7 | | |
| 127 | P | 43.1 | Very low | 30.3 | Very low | 116 Ų | 116 | 132.9 Ų | 132.9 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | | | | -111.6 | -163.9 | 89.5 | -17.1 | 37 | 0 | 0 | 0 | 113.8 | | |
| 128 | E | 29.4 | Very low | 30.3 | Very low | 138 Ų | 138 | 130.9 Ų | 130.9 | 65% | 0.645 | 78% | 0.778 | S | S | * | * | | | cis | -159.8 | 158.7 | -22.6 | -129.5 | -83.8 | 69.7 | 0 | 0 | 107.5 | | |
| 129 | R | 28.3 | Very low | 30.5 | Very low | 214 Ų | 214 | 128.8 Ų | 128.8 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | | | trans | 52.5 | 124 | 167.3 | -49.7 | -168.4 | 177.5 | -144.4 | -10.8 | 119 | | |
| 130 | G | 27.2 | Very low | 29.9 | Very low | 73 Ų | 73 | 128.5 Ų | 128.5 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | | | cis | 110 | 125 | 23.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 131 | C | 29 | Very low | 30 | Very low | 137 Ų | 137 | 124.5 Ų | 124.5 | 93% | 0.926 | 78% | 0.78 | S | S | * | * | | | cis | -143.4 | 162.4 | 13.9 | -65.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 132 | V | 32.9 | Very low | 30.2 | Very low | 130 Ų | 130 | 124.7 Ų | 124.7 | 79% | 0.788 | 78% | 0.781 | S | S | * | * | | | trans | -86.9 | 165.9 | 164.8 | -136.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 133 | P | 40 | Very low | 30.6 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | | | | -140.7 | 153.9 | 66.3 | 39.7 | -21.4 | 0 | 0 | 0 | 117.2 | | |
| 134 | E | 28.2 | Very low | 30.5 | Very low | 153 Ų | 153 | 126.1 Ų | 126.1 | 72% | 0.715 | 79% | 0.785 | S | S | * | * | | | trans | -63.1 | -175.5 | 152.7 | -129.4 | -124.8 | 124.6 | 0 | 0 | 109.7 | G136 | E134-G136 PolarHBondContact OE1-N 3.45Š|
| 135 | P | 44.8 | Very low | 30.9 | Very low | 113 Ų | 113 | 126.1 Ų | 126.1 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | | | cis | -140.4 | -173.7 | 11.6 | 43.6 | -24.8 | 0 | 0 | 0 | 116.6 | | |
| 136 | G | 28.4 | Very low | 31.7 | Very low | 67 Ų | 67 | 125.6 Ų | 125.6 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | | | trans | 155.8 | 99.6 | 147.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | E134 | E134-G136 PolarHBondContact OE1-N 3.45Š|
| 137 | A | 28.9 | Very low | 31.7 | Very low | 101 Ų | 101 | 125.5 Ų | 125.5 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | | | trans | -87.5 | 168.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 138 | A | 28.2 | Very low | 30.9 | Very low | 85 Ų | 85 | 128.6 Ų | 128.6 | 70% | 0.702 | 79% | 0.789 | S | S | * | * | | | trans | 110.3 | 113.7 | 134.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 139 | V | 27.9 | Very low | 30.7 | Very low | 137 Ų | 137 | 129.3 Ų | 129.3 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | | | | 82.8 | 140.7 | 119.6 | 171.7 | 0 | 0 | 0 | 0 | 121.4 | | |
| 140 | A | 27.7 | Very low | 31.4 | Very low | 88 Ų | 88 | 124.2 Ų | 124.2 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | trans | 70 | 127.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 141 | A | 27.1 | Very low | 31.6 | Very low | 92 Ų | 92 | 125.2 Ų | 125.2 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | | | cis | 90.8 | 151.4 | 36.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 142 | S | 30.5 | Very low | 32.6 | Very low | 112 Ų | 112 | 124.1 Ų | 124.1 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | | | trans | 76.9 | 113.6 | -170.1 | 77.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 143 | K | 34.2 | Very low | 33.3 | Very low | 215 Ų | 215 | 123 Ų | 123 | 94% | 0.935 | 78% | 0.779 | S | S | * | * | | | | 78.6 | 111.8 | 69.2 | -80 | -175 | 173.8 | -178.5 | 0 | 113.2 | | |
| 144 | G | 28.7 | Very low | 32.8 | Very low | 83 Ų | 83 | 122.9 Ų | 122.9 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | | | trans | 167.6 | 93.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 145 | L | 32.9 | Very low | 33.3 | Very low | 169 Ų | 169 | 123.1 Ų | 123.1 | 89% | 0.885 | 77% | 0.773 | S | S | * | * | | | trans | -98.4 | 150.2 | 159.1 | -88.6 | 171.4 | 0 | 0 | 0 | 107.8 | | |
| 146 | P | 41.4 | Very low | 32.8 | Very low | 110 Ų | 110 | 125 Ų | 125 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | | | | -153.3 | 164 | 85.4 | 39.2 | -20.3 | 0 | 0 | 0 | 118 | | |
| 147 | Q | 26.9 | Very low | 33 | Very low | 178 Ų | 178 | 128.6 Ų | 128.6 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | | | trans | 53.9 | 132.8 | 154.4 | -67.3 | 175.5 | -0.6 | 0 | 0 | 118.7 | | |
| 148 | Q | 26.4 | Very low | 33.4 | Very low | 181 Ų | 181 | 128.6 Ų | 128.6 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | | | | -173.8 | 156.1 | 56.2 | -164.1 | 171.8 | -66.8 | 0 | 0 | 111.2 | | |
| 149 | L | 25.7 | Very low | 33.6 | Very low | 152 Ų | 152 | 129.3 Ų | 129.3 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | | | trans | -76.2 | 172.8 | 170 | -114.6 | 79.6 | 0 | 0 | 0 | 111.8 | | |
| 150 | P | 42.2 | Very low | 34.2 | Very low | 107 Ų | 107 | 127.1 Ų | 127.1 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | | | cis | -144.3 | 152.2 | 15.7 | 38.3 | -16.8 | 0 | 0 | 0 | 120.4 | | |
| 151 | A | 31.8 | Very low | 35.2 | Very low | 94 Ų | 94 | 128.2 Ų | 128.2 | 78% | 0.777 | 78% | 0.776 | S | S | * | * | | | trans | 68.8 | 178.6 | 137.2 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 152 | P | 49.4 | Very low | 35.4 | Very low | 115 Ų | 115 | 128.5 Ų | 128.5 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | | | | -127.9 | -150.5 | -120.4 | 36.5 | -10.9 | 0 | 0 | 0 | 111.4 | | |
| 153 | P | 47 | Very low | 35.7 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | | | cis | -113.5 | -166.5 | -19.1 | 13.5 | 14.7 | 0 | 0 | 0 | 110.6 | | |
| 154 | D | 31.1 | Very low | 35.7 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 65% | 0.647 | 77% | 0.766 | S | S | * | * | | | | 177.5 | 152.2 | 73.3 | -113.3 | -121.6 | 0 | 0 | 0 | 109.4 | | |
| 155 | E | 38.3 | Very low | 36 | Very low | 159 Ų | 159 | 126.8 Ų | 126.8 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | | | trans | 45 | 109.4 | 158.9 | -38.7 | -49.9 | 67.9 | 0 | 0 | 119.2 | | |
| 156 | D | 34.1 | Very low | 36.3 | Very low | 152 Ų | 152 | 126.5 Ų | 126.5 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | | | | 72.7 | 93.7 | 77.5 | -155.9 | -32.7 | 0 | 0 | 0 | 113.6 | | |
| 157 | D | 33.7 | Very low | 36.3 | Very low | 142 Ų | 142 | 130 Ų | 130 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | | | trans | -154.3 | 119.4 | 149.2 | -150.3 | -37.8 | 0 | 0 | 0 | 111.5 | | |
| 158 | S | 36.7 | Very low | 36.8 | Very low | 101 Ų | 101 | 124.2 Ų | 124.2 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | | | trans | 45.1 | 153.1 | 148.9 | -59 | 0 | 0 | 0 | 0 | 124.5 | | |
| 159 | A | 32.9 | Very low | 37.6 | Very low | 100 Ų | 100 | 121.8 Ų | 121.8 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | | | trans | 89.4 | 111.3 | 155.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 160 | A | 39 | Very low | 38 | Very low | 92 Ų | 92 | 120.9 Ų | 120.9 | 76% | 0.76 | 76% | 0.755 | S | S | * | * | | | trans | -62.3 | 175.5 | 155.7 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 161 | P | 48.5 | Very low | 37.8 | Very low | 110 Ų | 110 | 124.9 Ų | 124.9 | 71% | 0.714 | 76% | 0.762 | S | S | * | * | | | cis | -143.8 | 179.7 | 14.4 | 37.4 | -15.3 | 0 | 0 | 0 | 117.5 | | |
| 162 | S | 31.1 | Very low | 38.4 | Very low | 99 Ų | 99 | 126.4 Ų | 126.4 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | | | trans | 105.9 | 144.4 | 143.9 | -48.3 | 0 | 0 | 0 | 0 | 119.8 | | |
| 163 | T | 38 | Very low | 37.5 | Very low | 127 Ų | 127 | 124.3 Ų | 124.3 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | | | trans | 93.1 | 116.9 | 154.7 | 70.8 | 0 | 0 | 0 | 0 | 120.1 | | |
| 164 | L | 34 | Very low | 37 | Very low | 154 Ų | 154 | 127.8 Ų | 127.8 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | | | trans | 82 | 107.1 | 141.5 | -66.7 | 163.4 | 0 | 0 | 0 | 120.8 | | |
| 165 | S | 34.8 | Very low | 37.2 | Very low | 92 Ų | 92 | 127.1 Ų | 127.1 | 64% | 0.643 | 78% | 0.78 | S | S | * | * | | | | 82.3 | 121.9 | 122.8 | -62.2 | 0 | 0 | 0 | 0 | 120.7 | | |
| 166 | L | 40.1 | Very low | 37 | Very low | 163 Ų | 163 | 124.9 Ų | 124.9 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | | | trans | 53.4 | 102 | 138 | -66.9 | 164.8 | 0 | 0 | 0 | 117.7 | | |
| 167 | L | 39.7 | Very low | 37 | Very low | 184 Ų | 184 | 124 Ų | 124 | 96% | 0.963 | 79% | 0.787 | S | S | * | * | | | | -162.6 | 164.8 | 127.1 | -102 | 158.9 | 0 | 0 | 0 | 110.2 | | |
| 168 | G | 38.4 | Very low | 37.7 | Very low | 57 Ų | 57 | 123.5 Ų | 123.5 | 59% | 0.588 | 79% | 0.794 | S | S | * | * | | | trans | -74.9 | -176.8 | -166.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | T170 | G168-T170 PolarHBondContact O-N 2.88Š|
| 169 | P | 43.7 | Very low | 38.1 | Very low | 129 Ų | 129 | 122.9 Ų | 122.9 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 126.6 | -169.5 | 28.5 | -35.1 | 0 | 0 | 0 | 113.4 | | |
| 170 | T | 33.4 | Very low | 38.7 | Very low | 133 Ų | 133 | 122.9 Ų | 122.9 | 82% | 0.816 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 132.9 | 171.6 | -50.2 | 0 | 0 | 0 | 0 | 111.2 | G168 | G168-T170 PolarHBondContact O-N 2.88Š|
| 171 | F | 38.8 | Very low | 39.3 | Very low | 191 Ų | 191 | 125.1 Ų | 125.1 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 135 | 164.5 | -75.1 | -90.4 | 0 | 0 | 0 | 110.1 | | |
| 172 | P | 43.2 | Very low | 39.6 | Very low | 126 Ų | 126 | 127.5 Ų | 127.5 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 131.2 | 164.4 | -9.8 | 25.4 | 0 | 0 | 0 | 109.2 | | |
| 173 | G | 31.4 | Very low | 40.7 | Very low | 71 Ų | 71 | 127.9 Ų | 127.9 | 73% | 0.732 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 168.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 174 | L | 36.3 | Very low | 41.4 | Very low | 181 Ų | 181 | 127.3 Ų | 127.3 | 95% | 0.948 | 76% | 0.764 | S | S | * | * | | | trans | -115.2 | 132.3 | 149.2 | -73 | 177.6 | 0 | 0 | 0 | 108.4 | | |
| 175 | S | 35.5 | Very low | 42.1 | Very low | 106 Ų | 106 | 126.3 Ų | 126.3 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | | | trans | -78.8 | 149.1 | -176.1 | 51.3 | 0 | 0 | 0 | 0 | 113 | | |
| 176 | S | 34.8 | Very low | 42.7 | Very low | 112 Ų | 112 | 124.7 Ų | 124.7 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | | | trans | 60.3 | 97.7 | 148 | -58.9 | 0 | 0 | 0 | 0 | 119 | | |
| 177 | C | 33.4 | Very low | 43.3 | Very low | 135 Ų | 135 | 123.8 Ų | 123.8 | 91% | 0.912 | 74% | 0.739 | S | S | * | * | | | | -142.5 | 128.4 | 117.2 | -93.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 178 | S | 49.1 | Very low | 43.7 | Very low | 130 Ų | 130 | 118.4 Ų | 118.4 | 91% | 0.909 | 72% | 0.721 | S | S | * | * | | | trans | -83.1 | 117.8 | 178.9 | 56.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 179 | A | 43.9 | Very low | 44.1 | Very low | 88 Ų | 88 | 119.3 Ų | 119.3 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | | | trans | -139.9 | 148.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 180 | D | 46.4 | Very low | 44.2 | Very low | 101 Ų | 101 | 117.1 Ų | 117.1 | 54% | 0.54 | 70% | 0.702 | S | S | . | * | | | trans | -65.7 | 135.2 | -166.7 | -148.2 | -76.1 | 0 | 0 | 0 | 112.2 | K182 D183 | D180-K182 PolarHBondContact O-N 3.49Å; D180-K182 WeakPolarHBondContact OD1-CD 3.39Å; D180-K182 WeakPolarHBondContact OD1-CG 3.39Å; D180-K182 PolarHBondContact OD1-N 3.43Å; D180-D183 PolarHBondContact O-N 2.87Å |
| 181 | L | 50.6 | Low | 44.7 | Very low | 139 Ų | 139 | 118 Ų | 118 | 73% | 0.728 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -61.3 | -9.7 | 179.2 | -90.3 | 163.1 | 0 | 0 | 0 | 113.8 | | |
| 182 | K | 55.8 | Low | 45.2 | Very low | 159 Ų | 159 | 116 Ų | 116 | 69% | 0.691 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -74.8 | -33 | 173.8 | -66.8 | 171.3 | -174.1 | 166.9 | 0 | 112.9 | D180 L185 S186 | D180-K182 PolarHBondContact O-N 3.49Å; D180-K182 WeakPolarHBondContact OD1-CD 3.39Å; D180-K182 WeakPolarHBondContact OD1-CG 3.39Å; D180-K182 PolarHBondContact OD1-N 3.43Å; K182-L185 PolarHBondContact O-N 2.93Å; K182-S186 PolarHBondContact O-N 3Å; K182-S186 VanDerWaalsContact O-N 3.15Å; K182-S186 PolarHBondContact O-OG 2.97Å; K182-S186 VanDerWaalsContact O-OG 3.12Å |
| 183 | D | 52.9 | Low | 45.1 | Very low | 108 Ų | 108 | 115.6 Ų | 115.6 | 58% | 0.578 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -71.5 | -39.2 | -173.3 | -131.3 | -31.8 | 0 | 0 | 0 | 112 | D180 L185 S186 E187 | D180-D183 PolarHBondContact O-N 2.87Å; D183-L185 PolarHBondContact O-N 3Å; D183-S186 VanDerWaalsContact CA-OG 3.29Å; D183-S186 WeakPolarHBondContact CA-OG 3.41Å; D183-S186 PolarHBondContact O-N 3.38Å; D183-S186 VanDerWaalsContact O-N 3.14Å; D183-S186 PolarHBondContact O-OG 3.27Å; D183-E187 PolarHBondContact O-N 3.31Å |
| 184 | I | 53.8 | Low | 45.6 | Very low | 114 Ų | 114 | 119 Ų | 119 | 59% | 0.585 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -62.9 | -31.4 | 177 | -57.6 | 174.9 | 0 | 0 | 0 | 111.4 | A188 | I184-A188 PolarHBondContact O-N 3.24Å |
| 185 | L | 49.3 | Very low | 46 | Very low | 133 Ų | 133 | 119.1 Ų | 119.1 | 70% | 0.696 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -82.1 | -27.2 | 176.6 | -67 | 176.8 | 0 | 0 | 0 | 112.8 | K182 D183 | K182-L185 PolarHBondContact O-N 2.93Å; D183-L185 PolarHBondContact O-N 3Å |
| 186 | S | 47.2 | Very low | 46.3 | Very low | 59 Ų | 59 | 121 Ų | 121 | 41% | 0.413 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -72.4 | -41.9 | 169.4 | 29.7 | 0 | 0 | 0 | 0 | 112.6 | K182 D183 A188 S189 | K182-S186 PolarHBondContact O-N 3Å; K182-S186 VanDerWaalsContact O-N 3.15Å; K182-S186 PolarHBondContact O-OG 2.97Å; K182-S186 VanDerWaalsContact O-OG 3.12Å; D183-S186 VanDerWaalsContact CA-OG 3.29Å; D183-S186 WeakPolarHBondContact CA-OG 3.41Å; D183-S186 PolarHBondContact O-N 3.38Å; D183-S186 VanDerWaalsContact O-N 3.14Å; D183-S186 PolarHBondContact O-OG 3.27Å; S186-A188 PolarHBondContact O-N 3.15Å; S186-S189 WeakPolarHBondContact O-CB 3.28Å; S186-S189 PolarHBondContact O-N 3.44Å; S186-S189 VanDerWaalsContact O-N 3.14Å |
| 187 | E | 52 | Low | 46.5 | Very low | 143 Ų | 143 | 124 Ų | 124 | 67% | 0.668 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -62.8 | -43.8 | -179.9 | -165.5 | 179 | 164.3 | 0 | 0 | 111.5 | D183 S189 T190 | D183-E187 PolarHBondContact O-N 3.31Å; E187-S189 PolarHBondContact O-N 2.96Å; E187-S189 VanDerWaalsContact O-N 3.17Å; E187-T190 PolarHBondContact O-N 3.22Å; E187-T190 VanDerWaalsContact O-N 3.1Å; E187-T190 PolarHBondContact O-OG1 3.21Å |
| 188 | A | 48.3 | Very low | 46.7 | Very low | 71 Ų | 71 | 126.5 Ų | 126.5 | 59% | 0.587 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -60.6 | -24.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | I184 S186 | I184-A188 PolarHBondContact O-N 3.24Å; S186-A188 PolarHBondContact O-N 3.15Å |
| 189 | S | 46.7 | Very low | 46.4 | Very low | 76 Ų | 76 | 128.8 Ų | 128.8 | 53% | 0.531 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -76.3 | -28.1 | 177.4 | -165.9 | 0 | 0 | 0 | 0 | 112.8 | S186 E187 M191 Q192 L193 | S186-S189 WeakPolarHBondContact O-CB 3.28Å; S186-S189 PolarHBondContact O-N 3.44Å; S186-S189 VanDerWaalsContact O-N 3.14Å; E187-S189 PolarHBondContact O-N 2.96Å; E187-S189 VanDerWaalsContact O-N 3.17Å; S189-M191 PolarHBondContact O-N 3Å; S189-Q192 PolarHBondContact O-N 2.99Å; S189-Q192 VanDerWaalsContact O-N 3.12Å; S189-L193 PolarHBondContact O-N 2.77Å |
| 190 | T | 45 | Very low | 45.8 | Very low | 83 Ų | 83 | 133.3 Ų | 133.3 | 51% | 0.509 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -66.7 | -32.8 | -174.8 | 65 | 0 | 0 | 0 | 0 | 113.7 | E187 Q192 L193 | E187-T190 PolarHBondContact O-N 3.22Å; E187-T190 VanDerWaalsContact O-N 3.1Å; E187-T190 PolarHBondContact O-OG1 3.21Å; T190-Q192 VanDerWaalsContact C-N 3.27Å; T190-Q192 PolarHBondContact O-N 2.96Å; T190-L193 PolarHBondContact O-N 3.43Å |
| 191 | M | 45.3 | Very low | 45.1 | Very low | 152 Ų | 152 | 133.4 Ų | 133.4 | 75% | 0.749 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -70.8 | -20.9 | 175.6 | -74.1 | -86.7 | 85.1 | 0 | 0 | 113.3 | S189 | S189-M191 PolarHBondContact O-N 3Å |
| 192 | Q | 47.6 | Very low | 44 | Very low | 150 Ų | 150 | 133.1 Ų | 133.1 | 70% | 0.701 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -86.5 | -25.3 | 175.4 | -165.6 | 167.2 | -40.4 | 0 | 0 | 112 | S189 T190 | S189-Q192 PolarHBondContact O-N 2.99Å; S189-Q192 VanDerWaalsContact O-N 3.12Å; T190-Q192 VanDerWaalsContact C-N 3.27Å; T190-Q192 PolarHBondContact O-N 2.96Å |
| 193 | L | 42.3 | Very low | 42.7 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 61% | 0.613 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -73.6 | -30.7 | -177.9 | -171 | 60.5 | 0 | 0 | 0 | 113.8 | S189 T190 Q195 Q196 Q197 | S189-L193 PolarHBondContact O-N 2.77Å; T190-L193 PolarHBondContact O-N 3.43Å; L193-Q195 PolarHBondContact O-N 2.97Å; L193-Q196 PolarHBondContact O-N 2.85Å; L193-Q197 PolarHBondContact O-N 3.44Å |
| 194 | L | 41.7 | Very low | 41.6 | Very low | 141 Ų | 141 | 135 Ų | 135 | 74% | 0.738 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -20.8 | 179.3 | -155.6 | 142.9 | 0 | 0 | 0 | 112.7 | | |
| 195 | Q | 43.7 | Very low | 40.3 | Very low | 184 Ų | 184 | 133 Ų | 133 | 86% | 0.86 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -9.6 | 170.8 | -165.7 | 125.3 | 94.1 | 0 | 0 | 113 | L193 | L193-Q195 PolarHBondContact O-N 2.97Š|
| 196 | Q | 43.1 | Very low | 39.4 | Very low | 147 Ų | 147 | 133 Ų | 133 | 69% | 0.687 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -104.9 | 5.5 | 178.1 | -155.6 | 102.3 | 83.3 | 0 | 0 | 112.8 | L193 | L193-Q196 PolarHBondContact O-N 2.85Š|
| 197 | Q | 37.8 | Very low | 38.6 | Very low | 173 Ų | 173 | 135.6 Ų | 135.6 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | 44.1 | 177.6 | -156.1 | -178.3 | 52.1 | 0 | 0 | 113.6 | L193 | L193-Q197 PolarHBondContact O-N 3.44Š|
| 198 | Q | 38.8 | Very low | 37.8 | Very low | 188 Ų | 188 | 135 Ų | 135 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.9 | 17.3 | 162.4 | -157.7 | 153.3 | 32.7 | 0 | 0 | 113.3 | | |
| 199 | Q | 43.1 | Very low | 36.9 | Very low | 179 Ų | 179 | 135 Ų | 135 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -154.3 | 49 | -178.5 | -153 | 135.7 | 45.9 | 0 | 0 | 114.7 | | |
| 200 | E | 29.9 | Very low | 36.2 | Very low | 183 Ų | 183 | 142.9 Ų | 142.9 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | | | trans | -156.8 | 92.9 | 155.5 | -165.7 | 99.4 | 131.3 | 0 | 0 | 109.8 | | |
| 201 | A | 31.4 | Very low | 35.6 | Very low | 102 Ų | 102 | 143.2 Ų | 143.2 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | | | trans | -145.7 | 72 | 170 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 202 | V | 28.3 | Very low | 35.3 | Very low | 134 Ų | 134 | 147.5 Ų | 147.5 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | | | trans | 177.3 | 112.1 | 150.7 | 144.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 203 | S | 28.7 | Very low | 34.5 | Very low | 111 Ų | 111 | 149.3 Ų | 149.3 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | | | trans | 160.7 | 126.6 | 152.7 | -87.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 204 | E | 29 | Very low | 34.1 | Very low | 194 Ų | 194 | 148.7 Ų | 148.7 | 91% | 0.907 | 83% | 0.829 | S | S | * | * | | | cis | -141.7 | 164.1 | -3.3 | -63.6 | -169.5 | 126.9 | 0 | 0 | 110 | | |
| 205 | G | 26.9 | Very low | 33.7 | Very low | 73 Ų | 73 | 148.3 Ų | 148.3 | 75% | 0.753 | 84% | 0.839 | S | S | * | * | | | trans | -164.4 | 80.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S207 | G205-S207 PolarHBondContact O-N 3.33Š|
| 206 | S | 31.3 | Very low | 33.1 | Very low | 133 Ų | 133 | 143.3 Ų | 143.3 | 93% | 0.93 | 84% | 0.836 | S | S | * | * | | | trans | -63.5 | 117.9 | -177.8 | -178.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 207 | S | 29.5 | Very low | 32.4 | Very low | 114 Ų | 114 | 141 Ų | 141 | 80% | 0.797 | 84% | 0.842 | S | S | * | * | | | trans | -153.9 | 147.6 | 152 | 68.7 | 0 | 0 | 0 | 0 | 112.2 | G205 | G205-S207 PolarHBondContact O-N 3.33Š|
| 208 | S | 35.1 | Very low | 32.5 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 92% | 0.916 | 84% | 0.843 | S | S | * | * | | | trans | -83.8 | 139.7 | -173.1 | 173.3 | 0 | 0 | 0 | 0 | 113 | | |
| 209 | G | 29.8 | Very low | 32.3 | Very low | 69 Ų | 69 | 136.7 Ų | 136.7 | 71% | 0.711 | 84% | 0.843 | S | S | * | * | | | trans | 177.8 | 84.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 210 | R | 32.2 | Very low | 31.9 | Very low | 242 Ų | 242 | 133.3 Ų | 133.3 | 91% | 0.913 | 84% | 0.839 | S | S | * | * | | | trans | 46.7 | 107.1 | 149.4 | -68.7 | -177.9 | 173.5 | 177.5 | -1.3 | 121.8 | | |
| 211 | A | 32.3 | Very low | 32.2 | Very low | 91 Ų | 91 | 129.7 Ų | 129.7 | 75% | 0.752 | 83% | 0.834 | S | S | * | * | | | | 44.9 | 120.2 | 117 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 212 | R | 38.6 | Very low | 32.1 | Very low | 242 Ų | 242 | 133.1 Ų | 133.1 | 91% | 0.913 | 83% | 0.83 | S | S | * | * | | | | -178.7 | 151.5 | 104.5 | -98.3 | 176.2 | -176.8 | -113.1 | 0.5 | 112.9 | | |
| 213 | E | 32.3 | Very low | 32.1 | Very low | 188 Ų | 188 | 132.6 Ų | 132.6 | 88% | 0.879 | 82% | 0.823 | S | S | * | * | | | trans | -80.8 | 154.1 | 177.5 | -54.5 | 122.3 | 107 | 0 | 0 | 114.1 | | |
| 214 | A | 33.3 | Very low | 32.7 | Very low | 103 Ų | 103 | 134.5 Ų | 134.5 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | | | trans | -160.3 | 137.3 | 149.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 215 | S | 31.8 | Very low | 33 | Very low | 134 Ų | 134 | 135.9 Ų | 135.9 | 94% | 0.937 | 82% | 0.823 | S | S | * | * | | | trans | -86.9 | 155.5 | -175 | -54.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 216 | G | 31.1 | Very low | 33.8 | Very low | 78 Ų | 78 | 141.1 Ų | 141.1 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | | | trans | -174.5 | 117.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 217 | A | 29 | Very low | 33.9 | Very low | 98 Ų | 98 | 138.2 Ų | 138.2 | 81% | 0.81 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 157.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 218 | P | 40.6 | Very low | 34.8 | Very low | 126 Ų | 126 | 136.9 Ų | 136.9 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 138.9 | 179.6 | 33.3 | -34.7 | 0 | 0 | 0 | 112.7 | | |
| 219 | T | 34.4 | Very low | 35.2 | Very low | 146 Ų | 146 | 136.9 Ų | 136.9 | 90% | 0.896 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 119.4 | 172.8 | 52.7 | 0 | 0 | 0 | 0 | 111 | | |
| 220 | S | 34.3 | Very low | 35.9 | Very low | 108 Ų | 108 | 138.5 Ų | 138.5 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 155.4 | -176.8 | 64 | 0 | 0 | 0 | 0 | 113.7 | | |
| 221 | S | 36 | Very low | 37.1 | Very low | 107 Ų | 107 | 134.5 Ų | 134.5 | 75% | 0.748 | 83% | 0.826 | S | S | * | * | | | trans | 61 | 116.7 | 143.2 | -161.7 | 0 | 0 | 0 | 0 | 119.9 | | |
| 222 | K | 30 | Very low | 38.3 | Very low | 174 Ų | 174 | 134.4 Ų | 134.4 | 76% | 0.757 | 81% | 0.812 | S | S | * | * | | | | -160.6 | 139.4 | 109.8 | -114.4 | -169.2 | 144.3 | 73.8 | 0 | 114 | | |
| 223 | D | 27.8 | Very low | 40 | Very low | 122 Ų | 122 | 126.5 Ų | 126.5 | 65% | 0.652 | 79% | 0.794 | S | S | * | * | | | trans | 63.3 | 93.6 | 146.2 | -51.2 | -22.4 | 0 | 0 | 0 | 120.5 | | |
| 224 | N | 40.9 | Very low | 42.1 | Very low | 152 Ų | 152 | 122.7 Ų | 122.7 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | | | trans | -55.2 | 171.4 | 136.4 | -111.9 | -72.1 | 0 | 0 | 0 | 111.7 | | |
| 225 | Y | 36 | Very low | 44.1 | Very low | 222 Ų | 222 | 123.2 Ų | 123.2 | 87% | 0.871 | 77% | 0.768 | S | S | * | * | | | trans | 86.8 | 84.4 | 179.7 | -61.6 | -81.3 | 0 | 0 | 0 | 116.8 | | |
| 226 | L | 42.5 | Very low | 46.4 | Very low | 183 Ų | 183 | 118.2 Ų | 118.2 | 96% | 0.958 | 73% | 0.734 | S | S | * | * | S | Bend | | -166.5 | 134.2 | 119.3 | -98.6 | 174.4 | 0 | 0 | 0 | 109.9 | | |
| 227 | G | 34.7 | Very low | 48.6 | Very low | 73 Ų | 73 | 119.2 Ų | 119.2 | 75% | 0.753 | 72% | 0.716 | S | S | * | * | | | trans | 79.1 | 63.8 | 161.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | T229 | G227-T229 PolarHBondContact O-N 3.44Š|
| 228 | G | 47.4 | Very low | 51.3 | Low | 85 Ų | 85 | 120.2 Ų | 120.2 | 88% | 0.876 | 70% | 0.704 | S | S | * | * | | | trans | -71.8 | 116.2 | 171 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 229 | T | 43.1 | Very low | 53.3 | Low | 132 Ų | 132 | 119.1 Ų | 119.1 | 81% | 0.81 | 69% | 0.691 | S | S | * | * | | | trans | -129 | 112.7 | 160.8 | 52.4 | 0 | 0 | 0 | 0 | 111.5 | G227 | G227-T229 PolarHBondContact O-N 3.44Š|
| 230 | S | 46.1 | Very low | 55.4 | Low | 102 Ų | 102 | 116 Ų | 116 | 71% | 0.713 | 67% | 0.674 | S | S | * | * | | | trans | 66.6 | 114.5 | 163.1 | -57.6 | 0 | 0 | 0 | 0 | 118.6 | I232 | S230-I232 PolarHBondContact O-N 2.9Š|
| 231 | T | 57.3 | Low | 57.6 | Low | 159 Ų | 159 | 114.7 Ų | 114.7 | 98% | 0.975 | 66% | 0.655 | S | S | * | * | | | trans | -70.5 | 41.7 | 163.6 | 56.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 232 | I | 56.5 | Low | 59.8 | Low | 89 Ų | 89 | 112.1 Ų | 112.1 | 46% | 0.456 | 64% | 0.64 | S | S | . | * | | | trans | -87.6 | 127.1 | -179.4 | -123.7 | 177.2 | 0 | 0 | 0 | 108.4 | S230 A236 K237 | S230-I232 PolarHBondContact O-N 2.9Å; I232-A236 HydrophobicContact CB-CB 4.45Å; I232-A236 HydrophobicContact CD1-CB 4.06Å; I232-A236 HydrophobicContact CG1-CB 3.77Å; I232-A236 HydrophobicContact CG2-CB 4.21Å; I232-K237 HydrophobicContact CG2-CD 4.36Å; I232-K237 HydrophobicContact CG2-CG 3.5Å; I232-K237 WeakPolarHBondContact O-CE 3.35Å |
| 233 | S | 74.8 | Confident | 62.2 | Low | 76 Ų | 76 | 107.7 Ų | 107.7 | 53% | 0.531 | 63% | 0.628 | S | S | . | * | | | trans | -62.3 | 152.3 | 177.8 | 57.5 | 0 | 0 | 0 | 0 | 110.6 | N235 A236 K237 | S233-N235 PolarHBondContact O-N 2.97Å; S233-N235 VanDerWaalsContact O-N 3.17Å; S233-A236 WeakPolarHBondContact O-CA 3.41Å; S233-A236 WeakPolarHBondContact O-CB 3.4Å; S233-A236 PolarHBondContact O-N 3.3Å; S233-K237 PolarHBondContact O-N 3.49Å |
| 234 | D | 76 | Confident | 64.7 | Low | 108 Ų | 108 | 103.5 Ų | 103.5 | 58% | 0.578 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -61.7 | -30.6 | -174.7 | -56.2 | -65.9 | 0 | 0 | 0 | 112.6 | A236 K237 E238 | D234-A236 VanDerWaalsContact C-N 3.31Å; D234-A236 PolarHBondContact O-N 3.29Å; D234-K237 WeakPolarHBondContact O-CB 3.24Å; D234-K237 PolarHBondContact O-N 3.14Å; D234-K237 VanDerWaalsContact O-N 3.07Å; D234-K237 WeakPolarHBondContact OD1-CE 3.36Å; D234-K237 IonicContact OD1-NZ 2.7Å; D234-K237 PolarHBondContact OD1-NZ 3.45Å; D234-E238 PolarHBondContact O-N 3.02Å |
| 235 | N | 76.7 | Confident | 66.3 | Low | 114 Ų | 114 | 100.7 Ų | 100.7 | 61% | 0.61 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -57.7 | -39.1 | 169.2 | -172.3 | 23.7 | 0 | 0 | 0 | 113 | S233 K237 E238 L239 | S233-N235 PolarHBondContact O-N 2.97Å; S233-N235 VanDerWaalsContact O-N 3.17Å; N235-K237 VanDerWaalsContact C-N 3.32Å; N235-K237 PolarHBondContact O-N 3.19Å; N235-E238 PolarHBondContact O-N 3.32Å; N235-L239 WeakPolarHBondContact O-CB 3.31Å; N235-L239 VanDerWaalsContact O-CG 3.3Å; N235-L239 WeakPolarHBondContact O-CG 3.49Å; N235-L239 PolarHBondContact O-N 2.88Å |
| 236 | A | 78.2 | Confident | 68.3 | Low | 28 Ų | 28 | 95 Ų | 95 | 23% | 0.231 | 59% | 0.589 | C | S | . | * | H | α-helix | trans | -70.9 | -27.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I232 S233 D234 C240 | I232-A236 HydrophobicContact CB-CB 4.45Å; I232-A236 HydrophobicContact CD1-CB 4.06Å; I232-A236 HydrophobicContact CG1-CB 3.77Å; I232-A236 HydrophobicContact CG2-CB 4.21Å; S233-A236 WeakPolarHBondContact O-CA 3.41Å; S233-A236 WeakPolarHBondContact O-CB 3.4Å; S233-A236 PolarHBondContact O-N 3.3Å; D234-A236 VanDerWaalsContact C-N 3.31Å; D234-A236 PolarHBondContact O-N 3.29Å; A236-C240 WeakPolarHBondContact O-CB 3.44Å; A236-C240 PolarHBondContact O-N 3.43Å; A236-C240 VanDerWaalsContact O-N 3.09Å |
| 237 | K | 78.1 | Confident | 69.5 | Low | 100 Ų | 100 | 92.8 Ų | 92.8 | 44% | 0.435 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.7 | -47.5 | 172.1 | -55.8 | 175.2 | -170 | 161.4 | 0 | 110.5 | I232 S233 D234 N235 L239 C240 K241 | I232-K237 HydrophobicContact CG2-CD 4.36Å; I232-K237 HydrophobicContact CG2-CG 3.5Å; I232-K237 WeakPolarHBondContact O-CE 3.35Å; S233-K237 PolarHBondContact O-N 3.49Å; D234-K237 WeakPolarHBondContact O-CB 3.24Å; D234-K237 PolarHBondContact O-N 3.14Å; D234-K237 VanDerWaalsContact O-N 3.07Å; D234-K237 WeakPolarHBondContact OD1-CE 3.36Å; D234-K237 IonicContact OD1-NZ 2.7Å; D234-K237 PolarHBondContact OD1-NZ 3.45Å; N235-K237 VanDerWaalsContact C-N 3.32Å; N235-K237 PolarHBondContact O-N 3.19Å; K237-L239 PolarHBondContact O-N 3.19Å; K237-C240 WeakPolarHBondContact O-CB 3.5Å; K237-C240 PolarHBondContact O-N 3.26Å; K237-C240 VanDerWaalsContact O-N 3.13Å; K237-K241 PolarHBondContact O-N 3.3Å |
| 238 | E | 84.8 | Confident | 71.1 | Confident | 118 Ų | 118 | 92.4 Ų | 92.4 | 55% | 0.551 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.7 | -41.8 | 177.4 | -69.5 | -53.4 | 120.1 | 0 | 0 | 112.5 | D234 N235 C240 K241 A242 | D234-E238 PolarHBondContact O-N 3.02Å; N235-E238 PolarHBondContact O-N 3.32Å; E238-C240 VanDerWaalsContact C-N 3.32Å; E238-C240 PolarHBondContact O-N 3.49Å; E238-K241 PolarHBondContact O-N 2.83Å; E238-A242 WeakPolarHBondContact O-CB 3.36Å; E238-A242 PolarHBondContact O-N 3.49Å |
| 239 | L | 83.8 | Confident | 72.1 | Confident | 104 Ų | 104 | 93.3 Ų | 93.3 | 55% | 0.545 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.3 | -39.8 | 172.4 | -71.7 | 172 | 0 | 0 | 0 | 112.1 | N235 K237 V243 | N235-L239 WeakPolarHBondContact O-CB 3.31Å; N235-L239 VanDerWaalsContact O-CG 3.3Å; N235-L239 WeakPolarHBondContact O-CG 3.49Å; N235-L239 PolarHBondContact O-N 2.88Å; K237-L239 PolarHBondContact O-N 3.19Å; L239-V243 WeakPolarHBondContact O-CB 3.43Å; L239-V243 VanDerWaalsContact O-CG2 3.25Å; L239-V243 WeakPolarHBondContact O-CG2 3.48Å; L239-V243 PolarHBondContact O-N 2.98Å |
| 240 | C | 78.6 | Confident | 72.6 | Confident | 80 Ų | 80 | 89.8 Ų | 89.8 | 54% | 0.541 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.5 | -37.8 | 176.6 | -157.3 | 0 | 0 | 0 | 0 | 112.1 | A236 K237 E238 S244 | A236-C240 WeakPolarHBondContact O-CB 3.44Å; A236-C240 PolarHBondContact O-N 3.43Å; A236-C240 VanDerWaalsContact O-N 3.09Å; K237-C240 WeakPolarHBondContact O-CB 3.5Å; K237-C240 PolarHBondContact O-N 3.26Å; K237-C240 VanDerWaalsContact O-N 3.13Å; E238-C240 VanDerWaalsContact C-N 3.32Å; E238-C240 PolarHBondContact O-N 3.49Å; C240-S244 WeakPolarHBondContact O-CB 3.38Å; C240-S244 PolarHBondContact O-N 3.47Å; C240-S244 PolarHBondContact O-OG 3.35Å |
| 241 | K | 81.3 | Confident | 73.1 | Confident | 80 Ų | 80 | 86 Ų | 86 | 35% | 0.348 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.9 | -49 | 173.7 | -159.6 | 172.9 | -172.7 | 177 | 0 | 110.4 | K237 E238 V243 S244 V245 V251 E255 | K237-K241 PolarHBondContact O-N 3.3Å; E238-K241 PolarHBondContact O-N 2.83Å; K241-V243 PolarHBondContact O-N 3.29Å; K241-S244 WeakPolarHBondContact O-CB 3.44Å; K241-S244 PolarHBondContact O-N 2.94Å; K241-V245 WeakPolarHBondContact O-CG2 3.47Å; K241-V245 PolarHBondContact O-N 3.48Å; K241-V251 HydrophobicContact CD-CG1 4.43Å; K241-V251 VanDerWaalsContact CE-CG1 3.44Å; K241-V251 HydrophobicContact CG-CG1 4.15Å; K241-E255 IonicContact NZ-OE1 2.68Å; K241-E255 PolarHBondContact NZ-OE1 3.16Å |
| 242 | A | 81.9 | Confident | 73 | Confident | 53 Ų | 53 | 85.6 Ų | 85.6 | 44% | 0.438 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63 | -38.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | E238 S246 | E238-A242 WeakPolarHBondContact O-CB 3.36Å; E238-A242 PolarHBondContact O-N 3.49Å; A242-S246 WeakPolarHBondContact O-CB 3.35Å; A242-S246 PolarHBondContact O-N 2.9Å; A242-S246 PolarHBondContact O-OG 3.37Å |
| 243 | V | 79.4 | Confident | 72.6 | Confident | 82 Ų | 82 | 85 Ų | 85 | 50% | 0.497 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.7 | -39.9 | 173.7 | 169 | 0 | 0 | 0 | 0 | 111.1 | L239 K241 S246 M247 | L239-V243 WeakPolarHBondContact O-CB 3.43Å; L239-V243 VanDerWaalsContact O-CG2 3.25Å; L239-V243 WeakPolarHBondContact O-CG2 3.48Å; L239-V243 PolarHBondContact O-N 2.98Å; K241-V243 PolarHBondContact O-N 3.29Å; V243-S246 WeakPolarHBondContact O-CB 3.25Å; V243-S246 PolarHBondContact O-N 3.37Å; V243-M247 HydrophobicContact CG1-SD 4.1Å; V243-M247 WeakPolarHBondContact O-CG 3.42Å; V243-M247 PolarHBondContact O-N 3.15Å |
| 244 | S | 80.3 | Confident | 71.4 | Confident | 33 Ų | 33 | 87.7 Ų | 87.7 | 23% | 0.231 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -63.3 | -46 | 177.5 | -58.7 | 0 | 0 | 0 | 0 | 111.9 | C240 K241 S246 M247 G248 L249 | C240-S244 WeakPolarHBondContact O-CB 3.38Å; C240-S244 PolarHBondContact O-N 3.47Å; C240-S244 PolarHBondContact O-OG 3.35Å; K241-S244 WeakPolarHBondContact O-CB 3.44Å; K241-S244 PolarHBondContact O-N 2.94Å; S244-S246 VanDerWaalsContact C-N 3.32Å; S244-S246 PolarHBondContact O-N 2.86Å; S244-M247 PolarHBondContact O-N 3.04Å; S244-M247 VanDerWaalsContact O-N 3.15Å; S244-G248 PolarHBondContact O-N 2.95Å; S244-L249 PolarHBondContact O-N 3.45Å |
| 245 | V | 74.8 | Confident | 70 | Confident | 94 Ų | 94 | 89 Ų | 89 | 57% | 0.57 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -57.6 | -45.4 | 171.5 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | K241 M247 G248 V251 | K241-V245 WeakPolarHBondContact O-CG2 3.47Å; K241-V245 PolarHBondContact O-N 3.48Å; V245-M247 PolarHBondContact O-N 2.96Å; V245-G248 PolarHBondContact O-N 2.86Å; V245-V251 HydrophobicContact CG2-CB 4.49Å; V245-V251 HydrophobicContact CG2-CG2 3.55Å |
| 246 | S | 77.6 | Confident | 68.3 | Low | 103 Ų | 103 | 91.4 Ų | 91.4 | 72% | 0.72 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65 | -22.8 | 179.5 | -60.2 | 0 | 0 | 0 | 0 | 113.9 | A242 V243 S244 | A242-S246 WeakPolarHBondContact O-CB 3.35Å; A242-S246 PolarHBondContact O-N 2.9Å; A242-S246 PolarHBondContact O-OG 3.37Å; V243-S246 WeakPolarHBondContact O-CB 3.25Å; V243-S246 PolarHBondContact O-N 3.37Å; S244-S246 VanDerWaalsContact C-N 3.32Å; S244-S246 PolarHBondContact O-N 2.86Å |
| 247 | M | 69.4 | Low | 66.3 | Low | 135 Ų | 135 | 97.1 Ų | 97.1 | 67% | 0.665 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -0.7 | 174.6 | -71.2 | -176.5 | 63.7 | 0 | 0 | 113.4 | V243 S244 V245 L249 | V243-M247 HydrophobicContact CG1-SD 4.1Å; V243-M247 WeakPolarHBondContact O-CG 3.42Å; V243-M247 PolarHBondContact O-N 3.15Å; S244-M247 PolarHBondContact O-N 3.04Å; S244-M247 VanDerWaalsContact O-N 3.15Å; V245-M247 PolarHBondContact O-N 2.96Å; M247-L249 HydrophobicContact CB-CD1 4.36Å; M247-L249 HydrophobicContact CB-CG 4.13Å; M247-L249 PolarHBondContact O-N 2.76Å |
| 248 | G | 68.1 | Low | 64.1 | Low | 66 Ų | 66 | 97.4 Ų | 97.4 | 68% | 0.68 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.4 | 17.5 | -176 | 0 | 0 | 0 | 0 | 0 | 113.8 | S244 V245 G250 | S244-G248 PolarHBondContact O-N 2.95Å; V245-G248 PolarHBondContact O-N 2.86Å; G248-G250 PolarHBondContact O-N 3.18Å |
| 249 | L | 66.7 | Low | 62.2 | Low | 104 Ų | 104 | 98.1 Ų | 98.1 | 55% | 0.545 | 59% | 0.586 | S | S | . | * | | | trans | -80.1 | 101.1 | 171.5 | -59.1 | 177.9 | 0 | 0 | 0 | 107.1 | S244 M247 V251 | S244-L249 PolarHBondContact O-N 3.45Å; M247-L249 HydrophobicContact CB-CD1 4.36Å; M247-L249 HydrophobicContact CB-CG 4.13Å; M247-L249 PolarHBondContact O-N 2.76Å; L249-V251 PolarHBondContact O-N 2.85Å |
| 250 | G | 54.6 | Low | 60.4 | Low | 57 Ų | 57 | 96.4 Ų | 96.4 | 59% | 0.588 | 59% | 0.593 | S | S | * | * | | | trans | -54.6 | 120.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G248 E252 | G248-G250 PolarHBondContact O-N 3.18Å; G250-E252 VanDerWaalsContact C-N 3.29Å |
| 251 | V | 56 | Low | 58.5 | Low | 22 Ų | 22 | 101.9 Ų | 101.9 | 13% | 0.133 | 61% | 0.611 | C | S | . | * | G | 310 helix | trans | -80.2 | -17.7 | -176.8 | 176.5 | 0 | 0 | 0 | 0 | 111.4 | K241 V245 L249 A253 L254 | K241-V251 HydrophobicContact CD-CG1 4.43Å; K241-V251 VanDerWaalsContact CE-CG1 3.44Å; K241-V251 HydrophobicContact CG-CG1 4.15Å; V245-V251 HydrophobicContact CG2-CB 4.49Å; V245-V251 HydrophobicContact CG2-CG2 3.55Å; L249-V251 PolarHBondContact O-N 2.85Å; V251-A253 PolarHBondContact O-N 2.95Å; V251-L254 PolarHBondContact O-N 2.88Å |
| 252 | E | 55.4 | Low | 56.6 | Low | 152 Ų | 152 | 106.8 Ų | 106.8 | 71% | 0.71 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -52.8 | -20 | 174.6 | -22.1 | -51.5 | 108.1 | 0 | 0 | 114.2 | G250 | G250-E252 VanDerWaalsContact C-N 3.29Š|
| 253 | A | 48.6 | Very low | 55.1 | Low | 75 Ų | 75 | 112.9 Ų | 112.9 | 62% | 0.62 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -82.6 | -13.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | V251 | V251-A253 PolarHBondContact O-N 2.95Š|
| 254 | L | 48.5 | Very low | 52.8 | Low | 134 Ų | 134 | 119.6 Ų | 119.6 | 70% | 0.702 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -19 | -174.6 | -168.2 | 57.5 | 0 | 0 | 0 | 113.6 | V251 | V251-L254 PolarHBondContact O-N 2.88Š|
| 255 | E | 48 | Very low | 51.3 | Low | 136 Ų | 136 | 121.1 Ų | 121.1 | 64% | 0.636 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -94.6 | 0.2 | -177.9 | -65 | -179.5 | -176.5 | 0 | 0 | 113.3 | K241 | K241-E255 IonicContact NZ-OE1 2.68Å; K241-E255 PolarHBondContact NZ-OE1 3.16Å |
| 256 | H | 39.8 | Very low | 49.5 | Very low | 164 Ų | 164 | 123.3 Ų | 123.3 | 76% | 0.759 | 71% | 0.705 | S | S | * | * | | | trans | -112.1 | 2.9 | 179.1 | -81.6 | -76.2 | 0 | 0 | 0 | 115.7 | S258 | H256-S258 VanDerWaalsContact C-N 3.34Å; H256-S258 PolarHBondContact O-N 3.47Å |
| 257 | L | 36.4 | Very low | 47.5 | Very low | 147 Ų | 147 | 124.6 Ų | 124.6 | 77% | 0.77 | 71% | 0.713 | S | S | * | * | | | trans | -82.8 | 81.3 | 173.4 | -67.3 | -179.2 | 0 | 0 | 0 | 111 | | |
| 258 | S | 32.1 | Very low | 46.7 | Very low | 106 Ų | 106 | 126.3 Ų | 126.3 | 74% | 0.741 | 72% | 0.721 | S | S | * | * | | | trans | -58.5 | 140.7 | 166.7 | -157.1 | 0 | 0 | 0 | 0 | 110.3 | H256 G260 | H256-S258 VanDerWaalsContact C-N 3.34Å; H256-S258 PolarHBondContact O-N 3.47Å; S258-G260 PolarHBondContact O-N 2.96Å |
| 259 | P | 44.7 | Very low | 45 | Very low | 134 Ų | 134 | 134 Ų | 134 | 87% | 0.87 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -77.4 | 94.1 | -170.2 | 30.5 | -35.4 | 0 | 0 | 0 | 112.2 | | |
| 260 | G | 46.9 | Very low | 43.4 | Very low | 67 Ų | 67 | 133.2 Ų | 133.2 | 69% | 0.691 | 74% | 0.74 | S | S | * | * | | | trans | 157.3 | 73.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | S258 | S258-G260 PolarHBondContact O-N 2.96Š|
| 261 | E | 39.2 | Very low | 42.9 | Very low | 196 Ų | 196 | 136.6 Ų | 136.6 | 92% | 0.916 | 75% | 0.752 | S | S | * | * | | | trans | -143.6 | 126.5 | 149 | -160.1 | 77.4 | -143.6 | 0 | 0 | 107.9 | | |
| 262 | Q | 39.7 | Very low | 42.1 | Very low | 183 Ų | 183 | 143.4 Ų | 143.4 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | | | trans | -81 | 143.5 | -164.8 | -175.8 | 168.9 | -28.7 | 0 | 0 | 112.2 | R264 | Q262-R264 PolarHBondContact O-N 2.97Š|
| 263 | L | 50.8 | Low | 41.3 | Very low | 181 Ų | 181 | 144.6 Ų | 144.6 | 95% | 0.948 | 80% | 0.797 | S | S | * | * | | | trans | -44.4 | 105.7 | 174.9 | -70 | 163 | 0 | 0 | 0 | 112.7 | | |
| 264 | R | 31.5 | Very low | 40.5 | Very low | 222 Ų | 222 | 144.8 Ų | 144.8 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | | | trans | -126.1 | 94.4 | 157.1 | -163.8 | 172.9 | -170.5 | 173.7 | 5.3 | 108.5 | Q262 D266 | Q262-R264 PolarHBondContact O-N 2.97Å; R264-D266 PolarHBondContact O-N 3.42Å |
| 265 | G | 49.7 | Very low | 39.8 | Very low | 66 Ų | 66 | 145 Ų | 145 | 68% | 0.68 | 81% | 0.812 | S | S | * | * | | | trans | -70.5 | 127.7 | 175 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 266 | D | 36.5 | Very low | 39.3 | Very low | 139 Ų | 139 | 143.8 Ų | 143.8 | 74% | 0.743 | 82% | 0.816 | S | S | * | * | | | trans | -161 | 60.2 | 165.4 | -88.6 | -40.8 | 0 | 0 | 0 | 109 | R264 M268 | R264-D266 PolarHBondContact O-N 3.42Å; D266-M268 PolarHBondContact O-N 3.49Å |
| 267 | C | 36 | Very low | 39.3 | Very low | 131 Ų | 131 | 142.3 Ų | 142.3 | 89% | 0.885 | 82% | 0.822 | S | S | * | * | | | trans | -82.3 | 59.7 | 178.5 | 44.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 268 | M | 51 | Low | 39 | Very low | 170 Ų | 170 | 139.7 Ų | 139.7 | 84% | 0.837 | 82% | 0.821 | S | S | * | * | | | trans | -143.7 | 70.4 | 169.5 | -84.8 | -66.7 | -74.3 | 0 | 0 | 111.6 | D266 | D266-M268 PolarHBondContact O-N 3.49Š|
| 269 | Y | 32.5 | Very low | 39.1 | Very low | 227 Ų | 227 | 141.4 Ų | 141.4 | 89% | 0.89 | 83% | 0.827 | S | S | * | * | | | trans | -170.2 | 139.5 | 144.6 | -120 | -84.4 | 0 | 0 | 0 | 110.6 | | |
| 270 | A | 34.7 | Very low | 38.6 | Very low | 88 Ų | 88 | 145.7 Ų | 145.7 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | | | trans | -117.6 | 113.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | L272 | A270-L272 PolarHBondContact O-N 3.31Š|
| 271 | P | 42.2 | Very low | 38 | Very low | 128 Ų | 128 | 148.6 Ų | 148.6 | 83% | 0.831 | 83% | 0.832 | S | S | * | * | | | trans | -84.8 | 94.7 | 170.9 | -12.2 | 30.1 | 0 | 0 | 0 | 111.2 | | |
| 272 | L | 39 | Very low | 37.5 | Very low | 166 Ų | 166 | 145.1 Ų | 145.1 | 87% | 0.869 | 83% | 0.825 | S | S | * | * | | | trans | -86.7 | 95.8 | 159.8 | -92.3 | 170.8 | 0 | 0 | 0 | 109.3 | A270 | A270-L272 PolarHBondContact O-N 3.31Š|
| 273 | L | 39 | Very low | 37.2 | Very low | 176 Ų | 176 | 142.3 Ų | 142.3 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | | | trans | -147.7 | 120.3 | 155.2 | -76.2 | -175.4 | 0 | 0 | 0 | 109.2 | | |
| 274 | G | 32.7 | Very low | 36.1 | Very low | 79 Ų | 79 | 140 Ų | 140 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | | | trans | -100.5 | 138.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 275 | V | 32.7 | Very low | 36 | Very low | 138 Ų | 138 | 133.9 Ų | 133.9 | 84% | 0.836 | 82% | 0.816 | S | S | * | * | | | trans | -145.1 | 148.1 | 173.1 | 170.9 | 0 | 0 | 0 | 0 | 106.4 | | |
| 276 | P | 38.6 | Very low | 35.4 | Very low | 111 Ų | 111 | 137 Ų | 137 | 72% | 0.721 | 83% | 0.825 | S | S | * | * | | | trans | -87.2 | 173.8 | -144.5 | 35.1 | -37.2 | 0 | 0 | 0 | 115.9 | | |
| 277 | P | 39.8 | Very low | 35 | Very low | 134 Ų | 134 | 138.2 Ų | 138.2 | 87% | 0.87 | 83% | 0.83 | S | S | * | * | | | trans | -81.6 | 131.3 | -165.1 | 31.8 | -34.8 | 0 | 0 | 0 | 113.5 | | |
| 278 | A | 30.9 | Very low | 34.9 | Very low | 92 Ų | 92 | 136.4 Ų | 136.4 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | | | trans | -123 | 111 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 279 | V | 33.9 | Very low | 34.1 | Very low | 141 Ų | 141 | 137.1 Ų | 137.1 | 86% | 0.855 | 83% | 0.826 | S | S | * | * | | | trans | 46.5 | 124.3 | 144.7 | -166.4 | 0 | 0 | 0 | 0 | 119.4 | | |
| 280 | R | 34.1 | Very low | 33.9 | Very low | 225 Ų | 225 | 132.8 Ų | 132.8 | 85% | 0.849 | 83% | 0.828 | S | S | * | * | | | trans | -56.7 | 141.7 | 173.1 | -66.7 | 174.3 | 167.5 | 165.6 | -5.5 | 112.9 | | |
| 281 | P | 33.1 | Very low | 33.9 | Very low | 127 Ų | 127 | 138.7 Ų | 138.7 | 83% | 0.825 | 84% | 0.837 | S | S | * | * | | | trans | -73 | 136.9 | 163.6 | 31.3 | -32.4 | 0 | 0 | 0 | 110.6 | | |
| 282 | T | 29.4 | Very low | 33.3 | Very low | 124 Ų | 124 | 136.4 Ų | 136.4 | 76% | 0.761 | 84% | 0.836 | S | S | * | * | | | trans | -117.3 | 137.1 | 165.6 | -58.9 | 0 | 0 | 0 | 0 | 106.6 | | |
| 283 | P | 33.5 | Very low | 32.8 | Very low | 124 Ų | 124 | 134.6 Ų | 134.6 | 81% | 0.805 | 84% | 0.838 | S | S | * | * | | | trans | -72.1 | 146.4 | -164.4 | 27.7 | -35.6 | 0 | 0 | 0 | 113.3 | | |
| 284 | C | 27.2 | Very low | 32.3 | Very low | 133 Ų | 133 | 133.6 Ų | 133.6 | 90% | 0.899 | 83% | 0.833 | S | S | * | * | | | trans | -80.6 | 146.6 | 176.2 | -66.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 285 | A | 28.7 | Very low | 32.4 | Very low | 92 Ų | 92 | 137.1 Ų | 137.1 | 76% | 0.76 | 83% | 0.832 | S | S | * | * | | | trans | -120.2 | 157.8 | 155.6 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 286 | P | 39 | Very low | 32.2 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 86% | 0.864 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 156.9 | -139.4 | 29.9 | -36.6 | 0 | 0 | 0 | 116.6 | | |
| 287 | L | 27.7 | Very low | 31.8 | Very low | 163 Ų | 163 | 138.8 Ų | 138.8 | 85% | 0.853 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -89 | 122.4 | -174.1 | -158 | 156.8 | 0 | 0 | 0 | 110 | | |
| 288 | A | 33.3 | Very low | 31.4 | Very low | 93 Ų | 93 | 136.8 Ų | 136.8 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 137.9 | 171 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 289 | E | 33.9 | Very low | 31.4 | Very low | 185 Ų | 185 | 136.9 Ų | 136.9 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -67 | 136.9 | -168 | -56 | 163.8 | 123.1 | 0 | 0 | 113.2 | | |
| 290 | C | 28.3 | Very low | 31.2 | Very low | 137 Ų | 137 | 133.9 Ų | 133.9 | 93% | 0.926 | 82% | 0.818 | S | S | * | * | | | trans | -145.6 | 112.1 | 154.9 | -98.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 291 | K | 34.6 | Very low | 31.2 | Very low | 211 Ų | 211 | 132.3 Ų | 132.3 | 92% | 0.917 | 82% | 0.817 | S | S | * | * | | | trans | -81.6 | 144.3 | 173.1 | -79.2 | 176.3 | 172.4 | 173.3 | 0 | 110.9 | | |
| 292 | G | 30.3 | Very low | 30.9 | Very low | 80 Ų | 80 | 131 Ų | 131 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | | | trans | 84.3 | 105.8 | 137.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 293 | S | 28.6 | Very low | 31.2 | Very low | 129 Ų | 129 | 129.6 Ų | 129.6 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | | | trans | -95 | 128.3 | 159.3 | -51 | 0 | 0 | 0 | 0 | 109.6 | | |
| 294 | L | 28.7 | Very low | 31.2 | Very low | 155 Ų | 155 | 131.5 Ų | 131.5 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | | | trans | -145.4 | 112.2 | 167.5 | -167.9 | 87 | 0 | 0 | 0 | 110.4 | | |
| 295 | L | 33.8 | Very low | 31.4 | Very low | 153 Ų | 153 | 131.1 Ų | 131.1 | 80% | 0.801 | 79% | 0.79 | S | S | * | * | | | trans | 52.4 | 116.4 | 148.4 | -68.2 | 173.4 | 0 | 0 | 0 | 121.2 | | |
| 296 | D | 28.5 | Very low | 31.6 | Very low | 153 Ų | 153 | 132.2 Ų | 132.2 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | | 108.2 | 148.7 | 116.9 | -153.4 | -141.8 | 0 | 0 | 0 | 121 | | |
| 297 | D | 30.8 | Very low | 31.3 | Very low | 130 Ų | 130 | 129.4 Ų | 129.4 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | | | trans | 82.4 | 141.3 | 160.5 | -147.4 | -123.8 | 0 | 0 | 0 | 123.6 | | |
| 298 | S | 30.1 | Very low | 31.4 | Very low | 92 Ų | 92 | 130.2 Ų | 130.2 | 64% | 0.643 | 77% | 0.774 | S | S | * | * | | | trans | -20.5 | 170.4 | 167.9 | 79.6 | 0 | 0 | 0 | 0 | 120.2 | | |
| 299 | A | 32.6 | Very low | 31.1 | Very low | 94 Ų | 94 | 136.3 Ų | 136.3 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | | | cis | 173.4 | 134.9 | -25.6 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 300 | G | 29.2 | Very low | 31.1 | Very low | 79 Ų | 79 | 131.9 Ų | 131.9 | 81% | 0.814 | 77% | 0.768 | S | S | * | * | | | trans | 80.8 | 167.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 301 | K | 33.2 | Very low | 32.4 | Very low | 192 Ų | 192 | 130.3 Ų | 130.3 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | | | cis | -166.4 | 127 | -5.9 | 165.6 | 174.1 | 171.4 | -179.9 | 0 | 109.2 | | |
| 302 | S | 27.5 | Very low | 32.2 | Very low | 98 Ų | 98 | 129 Ų | 129 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | | | trans | 54.5 | 175.9 | 167.5 | 69.4 | 0 | 0 | 0 | 0 | 115.4 | | |
| 303 | T | 35.4 | Very low | 32.5 | Very low | 96 Ų | 96 | 135 Ų | 135 | 59% | 0.589 | 75% | 0.754 | S | S | * | * | | | cis | -154.6 | 153.9 | 8.5 | -30 | 0 | 0 | 0 | 0 | 108.9 | | |
| 304 | E | 33.7 | Very low | 32.6 | Very low | 163 Ų | 163 | 131.7 Ų | 131.7 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | | | trans | 49.8 | 168.2 | 152.6 | 72.9 | -148.2 | 126.6 | 0 | 0 | 119.2 | | |
| 305 | D | 32.4 | Very low | 32.7 | Very low | 126 Ų | 126 | 127.4 Ų | 127.4 | 67% | 0.674 | 74% | 0.735 | S | S | * | * | | | cis | -151.6 | 124.1 | 4.8 | -155 | -134.3 | 0 | 0 | 0 | 105.5 | | |
| 306 | T | 32.6 | Very low | 32.7 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | | | | 94.7 | 150.5 | 93.3 | -76.2 | 0 | 0 | 0 | 0 | 115.5 | | |
| 307 | A | 32.1 | Very low | 33.3 | Very low | 74 Ų | 74 | 129.7 Ų | 129.7 | 61% | 0.612 | 74% | 0.738 | S | S | * | * | | | trans | 65 | 106.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 308 | E | 30 | Very low | 33.6 | Very low | 180 Ų | 180 | 133.9 Ų | 133.9 | 84% | 0.841 | 75% | 0.75 | S | S | * | * | | | | 77.8 | 115.8 | 78.9 | -72.7 | 173.1 | 176.5 | 0 | 0 | 112.7 | | |
| 309 | Y | 26.5 | Very low | 33.6 | Very low | 222 Ų | 222 | 132.4 Ų | 132.4 | 87% | 0.871 | 75% | 0.749 | S | S | * | * | | | | 56.6 | 132.1 | 96.7 | -98.9 | -111 | 0 | 0 | 0 | 113.2 | | |
| 310 | S | 34.5 | Very low | 33.9 | Very low | 91 Ų | 91 | 135 Ų | 135 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | | | cis | -168.9 | -158.8 | 6.2 | -131.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 311 | P | 55.8 | Low | 33.9 | Very low | 104 Ų | 104 | 139.6 Ų | 139.6 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | | | trans | -115.3 | -167.2 | -152.4 | 32 | -9.9 | 0 | 0 | 0 | 116.1 | | |
| 312 | F | 29.8 | Very low | 33.9 | Very low | 185 Ų | 185 | 133.5 Ų | 133.5 | 81% | 0.811 | 74% | 0.742 | S | S | * | * | | | trans | 99 | 115.7 | 161.8 | -77.4 | -79.5 | 0 | 0 | 0 | 121.5 | | |
| 313 | K | 37.4 | Very low | 34.2 | Very low | 204 Ų | 204 | 138.2 Ų | 138.2 | 89% | 0.887 | 75% | 0.753 | S | S | * | * | | | | 82.1 | 124.7 | 119.2 | -156.9 | 177.4 | -171 | -179.3 | 0 | 121.9 | | |
| 314 | G | 30 | Very low | 34 | Very low | 61 Ų | 61 | 139.2 Ų | 139.2 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | | | trans | 129.5 | 132.3 | 143.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 315 | G | 31.7 | Very low | 34.2 | Very low | 65 Ų | 65 | 139.7 Ų | 139.7 | 67% | 0.67 | 77% | 0.771 | S | S | * | * | | | trans | 91.1 | 168.4 | 154.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 316 | Y | 33.1 | Very low | 34 | Very low | 219 Ų | 219 | 137 Ų | 137 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | | | cis | -152 | 125.9 | -17.5 | -61.4 | -74.6 | 0 | 0 | 0 | 113.2 | | |
| 317 | T | 40.2 | Very low | 33.8 | Very low | 135 Ų | 135 | 138.4 Ų | 138.4 | 83% | 0.828 | 79% | 0.785 | S | S | * | * | | | trans | 13 | 125.8 | 153.1 | 56.6 | 0 | 0 | 0 | 0 | 124.8 | | |
| 318 | K | 37.1 | Very low | 34.4 | Very low | 217 Ų | 217 | 140.8 Ų | 140.8 | 94% | 0.943 | 80% | 0.797 | S | S | * | * | | | | -174.6 | 169 | 125.4 | -105.3 | 178.6 | 177.8 | -177.6 | 0 | 109.9 | | |
| 319 | G | 31.3 | Very low | 34.6 | Very low | 62 Ų | 62 | 135.8 Ų | 135.8 | 64% | 0.639 | 80% | 0.795 | S | S | * | * | | | cis | 161.4 | 154.9 | -7.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 320 | L | 38 | Very low | 34.9 | Very low | 147 Ų | 147 | 131.5 Ų | 131.5 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | | | trans | 71.3 | 111.9 | -178.2 | -53 | 175 | 0 | 0 | 0 | 114.3 | | |
| 321 | E | 29.7 | Very low | 35.1 | Very low | 176 Ų | 176 | 131.8 Ų | 131.8 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | | | | 74.2 | 135.9 | 86 | 97.7 | -158.7 | 153.2 | 0 | 0 | 113.6 | | |
| 322 | G | 32.9 | Very low | 34.3 | Very low | 65 Ų | 65 | 131.7 Ų | 131.7 | 67% | 0.67 | 81% | 0.813 | S | S | * | * | | | cis | -169.7 | -178.3 | -5.9 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 323 | E | 34.9 | Very low | 34.6 | Very low | 197 Ų | 197 | 127.8 Ų | 127.8 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | | | trans | 86.3 | 97.5 | -177.1 | -55 | 178.1 | 83.5 | 0 | 0 | 115.7 | | |
| 324 | S | 31.6 | Very low | 34.5 | Very low | 117 Ų | 117 | 121.9 Ų | 121.9 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | | 57.6 | 118.2 | 87.1 | -78.1 | 0 | 0 | 0 | 0 | 114 | | |
| 325 | L | 36.8 | Very low | 34.5 | Very low | 173 Ų | 173 | 125.2 Ų | 125.2 | 91% | 0.906 | 83% | 0.826 | S | S | * | * | | | cis | -137.5 | 157.4 | 44.6 | -71.4 | 162.8 | 0 | 0 | 0 | 114.6 | | |
| 326 | G | 28.7 | Very low | 34.8 | Very low | 70 Ų | 70 | 127.2 Ų | 127.2 | 72% | 0.722 | 83% | 0.829 | S | S | * | * | | | trans | -75.3 | -176.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 327 | C | 28.3 | Very low | 34.8 | Very low | 142 Ų | 142 | 120.4 Ų | 120.4 | 96% | 0.959 | 83% | 0.826 | S | S | * | * | | | cis | -139.8 | 162.1 | 39.1 | -67.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 328 | S | 44.4 | Very low | 34.4 | Very low | 124 Ų | 124 | 119.7 Ų | 119.7 | 87% | 0.867 | 82% | 0.821 | S | S | * | * | | | trans | -141.5 | 138.3 | 169.6 | -174.1 | 0 | 0 | 0 | 0 | 111 | | |
| 329 | G | 33.5 | Very low | 34.3 | Very low | 76 Ų | 76 | 117.4 Ų | 117.4 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | | | trans | 72.7 | 134.4 | 153.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 330 | S | 33 | Very low | 34.1 | Very low | 131 Ų | 131 | 123.1 Ų | 123.1 | 92% | 0.916 | 83% | 0.829 | S | S | * | * | | | | -170.4 | 154.9 | 116.2 | -165.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 331 | A | 39.6 | Very low | 34.1 | Very low | 97 Ų | 97 | 123 Ų | 123 | 80% | 0.802 | 83% | 0.828 | S | S | * | * | | | trans | -126 | 149.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 332 | A | 38.3 | Very low | 34.7 | Very low | 103 Ų | 103 | 120 Ų | 120 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | | | trans | -172.8 | 150 | 167.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 333 | A | 36 | Very low | 34.8 | Very low | 103 Ų | 103 | 121.7 Ų | 121.7 | 85% | 0.851 | 83% | 0.825 | S | S | * | * | | | cis | -153.8 | 166.1 | -12.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 334 | G | 34.6 | Very low | 34.8 | Very low | 80 Ų | 80 | 118.7 Ų | 118.7 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | | | trans | -96.8 | 163.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 335 | S | 30.8 | Very low | 35.1 | Very low | 131 Ų | 131 | 121.3 Ų | 121.3 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | | | trans | -156.6 | 151.5 | 159.6 | -171 | 0 | 0 | 0 | 0 | 110.7 | | |
| 336 | S | 38.7 | Very low | 35.2 | Very low | 106 Ų | 106 | 117.9 Ų | 117.9 | 74% | 0.741 | 82% | 0.815 | S | S | * | * | | | trans | -106 | 155.9 | -169.7 | -172.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 337 | G | 32 | Very low | 35.6 | Very low | 77 Ų | 77 | 122 Ų | 122 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | | | trans | -148.2 | 133.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 338 | T | 33 | Very low | 35.6 | Very low | 119 Ų | 119 | 124.4 Ų | 124.4 | 73% | 0.73 | 81% | 0.81 | S | S | * | * | | | trans | -128.9 | 163.5 | -167.7 | -59.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 339 | L | 33.6 | Very low | 35.3 | Very low | 169 Ų | 169 | 127.1 Ų | 127.1 | 89% | 0.885 | 81% | 0.806 | S | S | * | * | | | trans | 93.2 | 137.6 | -175 | -56.4 | 154.8 | 0 | 0 | 0 | 112 | | |
| 340 | E | 28.5 | Very low | 35.6 | Very low | 182 Ų | 182 | 128.1 Ų | 128.1 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | | | cis | -148.6 | 161.8 | 23.9 | -167.9 | -176.2 | 130.8 | 0 | 0 | 112.1 | | |
| 341 | L | 38 | Very low | 35.4 | Very low | 146 Ų | 146 | 125.5 Ų | 125.5 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | | | trans | -134.4 | 143.9 | 176.7 | -95.3 | 168 | 0 | 0 | 0 | 109.1 | | |
| 342 | P | 42.5 | Very low | 35 | Very low | 113 Ų | 113 | 125.7 Ų | 125.7 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | | | | -144.5 | 141 | 86.2 | 30.9 | -11.1 | 0 | 0 | 0 | 114.4 | | |
| 343 | S | 33.2 | Very low | 34.8 | Very low | 99 Ų | 99 | 128.6 Ų | 128.6 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | | | | 54.1 | 102.9 | 81.7 | -67.2 | 0 | 0 | 0 | 0 | 117.1 | | |
| 344 | T | 36.9 | Very low | 34.9 | Very low | 135 Ų | 135 | 130.2 Ų | 130.2 | 83% | 0.828 | 79% | 0.791 | S | S | * | * | | | trans | -141.5 | 112 | 139.6 | 39.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 345 | L | 37.4 | Very low | 35.2 | Very low | 171 Ų | 171 | 135.1 Ų | 135.1 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | | | trans | 65.3 | 103.4 | 146.9 | -55.5 | 176.1 | 0 | 0 | 0 | 120.5 | | |
| 346 | S | 37.7 | Very low | 35.5 | Very low | 102 Ų | 102 | 133.2 Ų | 133.2 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | | | trans | -92.9 | -179.3 | 151.6 | 51.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 347 | L | 37.7 | Very low | 35.4 | Very low | 157 Ų | 157 | 133.3 Ų | 133.3 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | | | trans | 82.2 | 136 | 172.6 | -63.4 | 155 | 0 | 0 | 0 | 115.8 | | |
| 348 | Y | 28.5 | Very low | 35.6 | Very low | 192 Ų | 192 | 134.5 Ų | 134.5 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | | | cis | -166.7 | 176.2 | -0.3 | -177.9 | -113.7 | 0 | 0 | 0 | 111.3 | | |
| 349 | K | 37.9 | Very low | 36 | Very low | 181 Ų | 181 | 139.1 Ų | 139.1 | 79% | 0.787 | 80% | 0.8 | S | S | * | * | | | trans | 88.1 | 100.3 | 162.3 | -150.7 | 176.8 | -175.3 | -174.9 | 0 | 115.7 | | |
| 350 | S | 40.4 | Very low | 36.1 | Very low | 97 Ų | 97 | 140 Ų | 140 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | | | cis | 82.9 | 116.6 | 42 | -49.9 | 0 | 0 | 0 | 0 | 115.3 | | |
| 351 | G | 27.7 | Very low | 36.4 | Very low | 76 Ų | 76 | 135.8 Ų | 135.8 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | | | trans | 161.2 | 124.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 352 | A | 32.3 | Very low | 36.2 | Very low | 100 Ų | 100 | 139.9 Ų | 139.9 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | | | trans | 67.3 | 118.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 353 | L | 34 | Very low | 36.1 | Very low | 165 Ų | 165 | 140.8 Ų | 140.8 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | | | cis | 67.4 | 115.2 | 44.6 | -160.4 | 149.4 | 0 | 0 | 0 | 110.1 | | |
| 354 | D | 37.3 | Very low | 36.6 | Very low | 136 Ų | 136 | 145 Ų | 145 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | cis | -148.4 | 117 | 25.2 | -164 | 48.3 | 0 | 0 | 0 | 108.9 | | |
| 355 | E | 41.4 | Very low | 36.7 | Very low | 183 Ų | 183 | 147.8 Ų | 147.8 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | | | | 36 | 82.1 | 98.4 | -162 | 152.8 | 134.6 | 0 | 0 | 119.1 | | |
| 356 | A | 37.6 | Very low | 36.6 | Very low | 92 Ų | 92 | 146.4 Ų | 146.4 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | | | trans | -156.5 | 139.8 | 142.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 357 | A | 37.1 | Very low | 36.8 | Very low | 107 Ų | 107 | 150 Ų | 150 | 88% | 0.884 | 79% | 0.789 | S | S | * | * | | | trans | 75.8 | 19.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | Y359 | A357-Y359 VanDerWaalsContact C-N 3.28Å; A357-Y359 PolarHBondContact O-N 3.06Å |
| 358 | A | 35.8 | Very low | 37.1 | Very low | 102 Ų | 102 | 148.2 Ų | 148.2 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | | | trans | -86.7 | 56.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 359 | Y | 41.9 | Very low | 37.7 | Very low | 217 Ų | 217 | 147.1 Ų | 147.1 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | | | trans | -140.5 | 137.6 | 169.3 | -117.5 | -93.3 | 0 | 0 | 0 | 110.2 | A357 | A357-Y359 VanDerWaalsContact C-N 3.28Å; A357-Y359 PolarHBondContact O-N 3.06Å |
| 360 | Q | 35.3 | Very low | 38.1 | Very low | 186 Ų | 186 | 143.2 Ų | 143.2 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 98.9 | 138.1 | -173.7 | -57.1 | -74.6 | 7.4 | 0 | 0 | 114.8 | | |
| 361 | S | 33.7 | Very low | 38 | Very low | 94 Ų | 94 | 146.6 Ų | 146.6 | 66% | 0.657 | 81% | 0.805 | S | S | * | * | | | trans | 60.2 | 95.1 | -175.5 | 171 | 0 | 0 | 0 | 0 | 115.4 | D363 | S361-D363 PolarHBondContact OG-OD2 2.9Š|
| 362 | R | 35.3 | Very low | 39 | Very low | 232 Ų | 232 | 148.3 Ų | 148.3 | 88% | 0.875 | 81% | 0.811 | S | S | * | * | | | trans | -109.8 | 73.9 | 154.3 | -178.9 | 123.1 | 70 | -173.9 | 1.3 | 108 | Y364 | R362-Y364 PolarHBondContact O-N 3.38Š|
| 363 | D | 39.8 | Very low | 39.7 | Very low | 133 Ų | 133 | 146.1 Ų | 146.1 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | | | trans | -70.2 | 100.6 | 172.8 | -70.7 | -63.7 | 0 | 0 | 0 | 109.4 | S361 | S361-D363 PolarHBondContact OG-OD2 2.9Š|
| 364 | Y | 42.9 | Very low | 40.8 | Very low | 187 Ų | 187 | 144.2 Ų | 144.2 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | | | trans | -71.3 | 137.2 | 176.6 | -146.9 | -104.4 | 0 | 0 | 0 | 108.8 | R362 | R362-Y364 PolarHBondContact O-N 3.38Š|
| 365 | Y | 40.5 | Very low | 42 | Very low | 194 Ų | 194 | 143.2 Ų | 143.2 | 76% | 0.761 | 80% | 0.797 | S | S | * | * | | | trans | 80.1 | 71.5 | -169.6 | -54.5 | -74.7 | 0 | 0 | 0 | 116.9 | | |
| 366 | N | 35.1 | Very low | 42.8 | Very low | 142 Ų | 142 | 140 Ų | 140 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | | | trans | -137 | 118.5 | 146.4 | -157.8 | -68.2 | 0 | 0 | 0 | 109.7 | | |
| 367 | F | 40.1 | Very low | 44 | Very low | 177 Ų | 177 | 141.1 Ų | 141.1 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | trans | -95.3 | 119.6 | 173.3 | -71.6 | -81 | 0 | 0 | 0 | 109.1 | L369 | F367-L369 PolarHBondContact O-N 2.97Å; F367-L369 VanDerWaalsContact O-N 3.13Å |
| 368 | P | 44.1 | Very low | 45.4 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | | | trans | -77.9 | 100.3 | 176.1 | 30.6 | -32.6 | 0 | 0 | 0 | 110.4 | A370 | P368-A370 PolarHBondContact O-N 3.45Š|
| 369 | L | 42.5 | Very low | 46.6 | Very low | 169 Ų | 169 | 142 Ų | 142 | 89% | 0.885 | 78% | 0.779 | S | S | * | * | | | trans | -72.9 | 101.5 | 162 | -86.4 | 164.4 | 0 | 0 | 0 | 108.9 | F367 L371 | F367-L369 PolarHBondContact O-N 2.97Å; F367-L369 VanDerWaalsContact O-N 3.13Å; L369-L371 PolarHBondContact O-N 3.34Å; L369-L371 VanDerWaalsContact O-N 3.08Å |
| 370 | A | 45 | Very low | 47.4 | Very low | 99 Ų | 99 | 136.4 Ų | 136.4 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | -72.1 | 97 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | P368 | P368-A370 PolarHBondContact O-N 3.45Š|
| 371 | L | 39.1 | Very low | 47.9 | Very low | 168 Ų | 168 | 133.7 Ų | 133.7 | 88% | 0.88 | 77% | 0.768 | S | S | * | * | | | trans | -101.6 | 90.7 | 168 | -146.3 | 78.4 | 0 | 0 | 0 | 109.8 | L369 G373 | L369-L371 PolarHBondContact O-N 3.34Å; L369-L371 VanDerWaalsContact O-N 3.08Å; L371-G373 PolarHBondContact O-N 2.91Å |
| 372 | A | 48 | Very low | 48.1 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 92% | 0.917 | 77% | 0.772 | S | S | * | * | | | trans | -69.9 | 97.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 373 | G | 48.2 | Very low | 48.5 | Very low | 54 Ų | 54 | 131.7 Ų | 131.7 | 56% | 0.557 | 77% | 0.769 | S | S | * | * | | | trans | -119.4 | 142.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L371 | L371-G373 PolarHBondContact O-N 2.91Š|
| 374 | P | 56.8 | Low | 48.6 | Very low | 125 Ų | 125 | 134.5 Ų | 134.5 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 150.4 | 173.9 | 28 | -34 | 0 | 0 | 0 | 110.7 | | |
| 375 | P | 62 | Low | 48.3 | Very low | 115 Ų | 115 | 129.9 Ų | 129.9 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 146.3 | -179.1 | 27 | -34.9 | 0 | 0 | 0 | 111.3 | | |
| 376 | P | 58 | Low | 48.6 | Very low | 117 Ų | 117 | 131 Ų | 131 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 145.8 | 179.7 | 27.3 | -34.8 | 0 | 0 | 0 | 111.3 | | |
| 377 | P | 63.5 | Low | 49 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 151.6 | 177.4 | 28.2 | -34.8 | 0 | 0 | 0 | 111.5 | | |
| 378 | P | 66.1 | Low | 49 | Very low | 117 Ų | 117 | 131.1 Ų | 131.1 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 148.4 | 178.3 | 27.9 | -34.8 | 0 | 0 | 0 | 111.7 | | |
| 379 | P | 61.6 | Low | 49.2 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 149.5 | 178.6 | 28 | -35 | 0 | 0 | 0 | 111.7 | | |
| 380 | P | 58 | Low | 49.2 | Very low | 101 Ų | 101 | 133.6 Ų | 133.6 | 66% | 0.656 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 147.4 | 179.8 | 28.1 | -35.1 | 0 | 0 | 0 | 111.7 | H382 | P380-H382 PolarHBondContact O-N 3.3Š|
| 381 | P | 45.5 | Very low | 48.8 | Very low | 128 Ų | 128 | 134.4 Ų | 134.4 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | | | trans | -69.1 | 114.1 | 178.5 | 28.1 | -33.5 | 0 | 0 | 0 | 110.6 | | |
| 382 | H | 38.6 | Very low | 49.1 | Very low | 162 Ų | 162 | 132.5 Ų | 132.5 | 75% | 0.75 | 77% | 0.769 | S | S | * | * | | | trans | -63 | 133.4 | 172.3 | -65.4 | -73.5 | 0 | 0 | 0 | 110.8 | P380 H384 | P380-H382 PolarHBondContact O-N 3.3Å; H382-H384 PolarHBondContact O-N 3.48Å |
| 383 | P | 42.2 | Very low | 48.8 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | | | trans | -65.8 | 135.9 | 173.1 | 27.6 | -33.3 | 0 | 0 | 0 | 110.4 | A385 | P383-A385 PolarHBondContact O-N 2.99Š|
| 384 | H | 43.8 | Very low | 48.7 | Very low | 193 Ų | 193 | 138.3 Ų | 138.3 | 89% | 0.894 | 77% | 0.771 | S | S | * | * | | | trans | -65.9 | 104 | -170.9 | -60.9 | -82 | 0 | 0 | 0 | 113.7 | H382 | H382-H384 PolarHBondContact O-N 3.48Š|
| 385 | A | 35.5 | Very low | 47.8 | Very low | 89 Ų | 89 | 143.3 Ų | 143.3 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | | | trans | -90.6 | 97.9 | 158.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | P383 I387 | P383-A385 PolarHBondContact O-N 2.99Å; A385-I387 PolarHBondContact O-N 3.45Å |
| 386 | R | 47.4 | Very low | 46.8 | Very low | 219 Ų | 219 | 141 Ų | 141 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | | | trans | -72.3 | 89.9 | 178.5 | -173.5 | -162.7 | -60.6 | -148.1 | 4 | 110 | K388 | R386-K388 PolarHBondContact O-N 2.7Š|
| 387 | I | 43.7 | Very low | 46.3 | Very low | 158 Ų | 158 | 141.4 Ų | 141.4 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | | | trans | -66.1 | 98.7 | 171.5 | -57.6 | 175.2 | 0 | 0 | 0 | 108.4 | A385 | A385-I387 PolarHBondContact O-N 3.45Š|
| 388 | K | 40 | Very low | 45.5 | Very low | 162 Ų | 162 | 140.2 Ų | 140.2 | 70% | 0.704 | 78% | 0.778 | S | S | * | * | | | trans | -70.5 | 129.4 | 157.4 | -81.6 | 178.5 | 170.4 | -179 | 0 | 107.2 | R386 E390 | R386-K388 PolarHBondContact O-N 2.7Å; K388-E390 PolarHBondContact O-N 3Å |
| 389 | L | 48.1 | Very low | 44.4 | Very low | 174 Ų | 174 | 145.2 Ų | 145.2 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | | | trans | -71.6 | 95 | 169.4 | -177 | 69.6 | 0 | 0 | 0 | 108 | | |
| 390 | E | 42.6 | Very low | 43.6 | Very low | 167 Ų | 167 | 144.8 Ų | 144.8 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | | | trans | -91.1 | 144.5 | 173.3 | -159.8 | 164.5 | 125.1 | 0 | 0 | 110.7 | K388 | K388-E390 PolarHBondContact O-N 3Š|
| 391 | N | 35.8 | Very low | 42.8 | Very low | 117 Ų | 117 | 144.9 Ų | 144.9 | 63% | 0.626 | 80% | 0.797 | S | S | * | * | | | trans | -80.6 | 127.7 | -168.3 | -168.1 | 23.3 | 0 | 0 | 0 | 110.3 | L393 | N391-L393 PolarHBondContact O-N 3.43Š|
| 392 | P | 45.4 | Very low | 42.5 | Very low | 127 Ų | 127 | 143.7 Ų | 143.7 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 61.9 | -173.4 | 34.3 | -37.8 | 0 | 0 | 0 | 112.6 | | |
| 393 | L | 42.5 | Very low | 42.5 | Very low | 137 Ų | 137 | 141 Ų | 141 | 72% | 0.717 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.7 | -11.3 | 178.8 | -93.8 | 167.1 | 0 | 0 | 0 | 115.3 | N391 | N391-L393 PolarHBondContact O-N 3.43Š|
| 394 | D | 45.2 | Very low | 42.3 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | | | trans | -116.3 | 70.6 | -176.8 | -73.8 | -66.2 | 0 | 0 | 0 | 113.1 | | |
| 395 | Y | 39.1 | Very low | 42 | Very low | 231 Ų | 231 | 139.5 Ų | 139.5 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | | | trans | -146.9 | 60.1 | 159.5 | -129.2 | -85.1 | 0 | 0 | 0 | 112.3 | | |
| 396 | G | 41.2 | Very low | 41.8 | Very low | 67 Ų | 67 | 141.7 Ų | 141.7 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -142.6 | 24.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 397 | S | 47.7 | Very low | 41.2 | Very low | 125 Ų | 125 | 142.9 Ų | 142.9 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | | | trans | -151.8 | 47.9 | -173.3 | -70.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 398 | A | 45.1 | Very low | 40.3 | Very low | 88 Ų | 88 | 146.5 Ų | 146.5 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -136.6 | 28.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 399 | W | 42.6 | Very low | 40 | Very low | 222 Ų | 222 | 141.5 Ų | 141.5 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -132.7 | 2.2 | 171.4 | 70.5 | -89.4 | 0 | 0 | 0 | 115.5 | | |
| 400 | A | 45 | Very low | 39.3 | Very low | 102 Ų | 102 | 140.4 Ų | 140.4 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -93.4 | 9.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 401 | A | 41.1 | Very low | 38.9 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -140.1 | 48.2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 402 | A | 40.2 | Very low | 38.7 | Very low | 103 Ų | 103 | 138.3 Ų | 138.3 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | | | trans | -147.4 | 43.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 403 | A | 39.1 | Very low | 38 | Very low | 106 Ų | 106 | 137.3 Ų | 137.3 | 88% | 0.876 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -133.6 | 39.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 404 | A | 38.2 | Very low | 37.6 | Very low | 89 Ų | 89 | 137.9 Ų | 137.9 | 74% | 0.736 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -158 | 87.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 405 | Q | 35.7 | Very low | 37.1 | Very low | 194 Ų | 194 | 139.7 Ų | 139.7 | 91% | 0.907 | 82% | 0.818 | S | S | * | * | | | trans | 165.5 | 77.7 | 147.4 | -91.2 | 164.5 | 42.4 | 0 | 0 | 112 | | |
| 406 | C | 32.3 | Very low | 36.6 | Very low | 135 Ų | 135 | 132 Ų | 132 | 91% | 0.912 | 81% | 0.808 | S | S | * | * | | | trans | -131.7 | 102.6 | 152.7 | -83.8 | 0 | 0 | 0 | 0 | 107.7 | | |
| 407 | R | 33.8 | Very low | 36.2 | Very low | 243 Ų | 243 | 134.2 Ų | 134.2 | 92% | 0.917 | 82% | 0.82 | S | S | * | * | | | trans | -81.3 | 126.6 | 173.9 | -84.7 | -84.6 | -172.8 | 170.6 | -0.8 | 109.2 | | |
| 408 | Y | 26.5 | Very low | 35.4 | Very low | 235 Ų | 235 | 132.2 Ų | 132.2 | 92% | 0.922 | 82% | 0.82 | S | S | * | * | | | trans | -132.9 | 146.2 | 157.4 | -170.8 | -91.8 | 0 | 0 | 0 | 107.6 | | |
| 409 | G | 33.2 | Very low | 35 | Very low | 57 Ų | 57 | 133.1 Ų | 133.1 | 59% | 0.588 | 83% | 0.827 | S | S | * | * | | | trans | 97.9 | 120.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 410 | D | 32.6 | Very low | 34.6 | Very low | 151 Ų | 151 | 127.5 Ų | 127.5 | 81% | 0.807 | 83% | 0.828 | S | S | * | * | | | trans | -85.6 | 165.4 | 170.3 | -177.4 | 22.1 | 0 | 0 | 0 | 111.2 | | |
| 411 | L | 35.8 | Very low | 34.1 | Very low | 147 Ų | 147 | 126.1 Ų | 126.1 | 77% | 0.77 | 82% | 0.824 | S | S | * | * | | | trans | 112.5 | 114.2 | 161.8 | -58.7 | 177.9 | 0 | 0 | 0 | 119.1 | | |
| 412 | A | 31.1 | Very low | 33.9 | Very low | 92 Ų | 92 | 127.9 Ų | 127.9 | 76% | 0.76 | 83% | 0.826 | S | S | * | * | | | trans | 80.2 | 119.5 | 141.9 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 413 | S | 30.2 | Very low | 33.4 | Very low | 106 Ų | 106 | 126.4 Ų | 126.4 | 74% | 0.741 | 82% | 0.822 | S | S | * | * | | | trans | 79.1 | 96.9 | 134.8 | -67.5 | 0 | 0 | 0 | 0 | 123.4 | | |
| 414 | L | 35.1 | Very low | 33.3 | Very low | 150 Ų | 150 | 127.8 Ų | 127.8 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | | | | 67.5 | 133.5 | 114.4 | -77.3 | 167 | 0 | 0 | 0 | 123.2 | | |
| 415 | H | 33.8 | Very low | 32.9 | Very low | 188 Ų | 188 | 127 Ų | 127 | 87% | 0.87 | 83% | 0.825 | S | S | * | * | | | trans | 63 | 147.3 | 168.2 | -76.6 | -94.1 | 0 | 0 | 0 | 117 | | |
| 416 | G | 28 | Very low | 32.9 | Very low | 68 Ų | 68 | 123.7 Ų | 123.7 | 70% | 0.701 | 82% | 0.824 | S | S | * | * | | | cis | -168.8 | 170.9 | -1 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 417 | A | 33.4 | Very low | 33.3 | Very low | 114 Ų | 114 | 123.2 Ų | 123.2 | 94% | 0.942 | 82% | 0.818 | S | S | * | * | | | trans | -74.5 | 159.9 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 418 | G | 30.5 | Very low | 33.1 | Very low | 84 Ų | 84 | 117.4 Ų | 117.4 | 87% | 0.866 | 82% | 0.815 | S | S | * | * | | | trans | 172.1 | 127.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 419 | A | 36.3 | Very low | 33.5 | Very low | 107 Ų | 107 | 111.4 Ų | 111.4 | 88% | 0.884 | 81% | 0.814 | S | S | * | * | | | trans | -111.4 | 149.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 420 | A | 35 | Very low | 33.3 | Very low | 104 Ų | 104 | 113.4 Ų | 113.4 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | | | trans | -159.8 | 143.8 | 158.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 421 | G | 33.6 | Very low | 33.2 | Very low | 73 Ų | 73 | 111.5 Ų | 111.5 | 75% | 0.753 | 83% | 0.831 | S | S | * | * | | | trans | -92.2 | 176.9 | -176 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 422 | P | 38.6 | Very low | 32.8 | Very low | 139 Ų | 139 | 110.2 Ų | 110.2 | 90% | 0.903 | 83% | 0.834 | S | S | * | * | | | trans | -90.8 | 129.6 | -179.3 | 34.1 | -31.2 | 0 | 0 | 0 | 112.4 | | |
| 423 | G | 28.9 | Very low | 32.8 | Very low | 73 Ų | 73 | 110.8 Ų | 110.8 | 75% | 0.753 | 83% | 0.832 | S | S | * | * | | | trans | -99.9 | 139.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 424 | S | 37.2 | Very low | 33 | Very low | 134 Ų | 134 | 110.7 Ų | 110.7 | 94% | 0.937 | 83% | 0.831 | S | S | * | * | | | trans | 31.4 | 116.3 | 146.9 | 176 | 0 | 0 | 0 | 0 | 119.8 | | |
| 425 | G | 29.6 | Very low | 33.1 | Very low | 72 Ų | 72 | 113.5 Ų | 113.5 | 74% | 0.742 | 83% | 0.832 | S | S | * | * | | | trans | 171.3 | 96.3 | 155.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | P427 | G425-P427 WeakPolarHBondContact O-CD 3.33Š|
| 426 | S | 35.8 | Very low | 33.5 | Very low | 126 Ų | 126 | 113.2 Ų | 113.2 | 88% | 0.881 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 125.5 | 167.2 | -57 | 0 | 0 | 0 | 0 | 110.7 | | |
| 427 | P | 40.5 | Very low | 34.2 | Very low | 124 Ų | 124 | 116.3 Ų | 116.3 | 81% | 0.805 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 133.2 | 164 | 32.9 | -27.7 | 0 | 0 | 0 | 111 | G425 | G425-P427 WeakPolarHBondContact O-CD 3.33Š|
| 428 | S | 29.4 | Very low | 34.5 | Very low | 122 Ų | 122 | 118.5 Ų | 118.5 | 85% | 0.853 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 152 | 172.2 | -68.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 429 | A | 34.4 | Very low | 34.8 | Very low | 108 Ų | 108 | 124.5 Ų | 124.5 | 89% | 0.893 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 126.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 430 | A | 30.2 | Very low | 34.8 | Very low | 99 Ų | 99 | 126.4 Ų | 126.4 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | | | trans | -144.9 | 87.9 | 158.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | S432 | A430-S432 PolarHBondContact O-N 3.27Š|
| 431 | A | 30.1 | Very low | 34.9 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 93% | 0.926 | 83% | 0.834 | S | S | * | * | | | trans | -84 | 113 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 432 | S | 27.8 | Very low | 35.4 | Very low | 120 Ų | 120 | 131.3 Ų | 131.3 | 84% | 0.839 | 84% | 0.838 | S | S | * | * | | | trans | -124.1 | 122.2 | 160.9 | -169.6 | 0 | 0 | 0 | 0 | 108.7 | A430 | A430-S432 PolarHBondContact O-N 3.27Š|
| 433 | S | 30.1 | Very low | 35.5 | Very low | 103 Ų | 103 | 134.5 Ų | 134.5 | 72% | 0.72 | 84% | 0.84 | S | S | * | * | | | trans | -78.4 | 128.7 | -174 | -176.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 434 | S | 34.2 | Very low | 36 | Very low | 104 Ų | 104 | 134.4 Ų | 134.4 | 73% | 0.727 | 84% | 0.839 | S | S | * | * | | | trans | -140.5 | 108.1 | 171.3 | -177.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 435 | W | 38.1 | Very low | 36 | Very low | 210 Ų | 210 | 137.1 Ų | 137.1 | 80% | 0.795 | 84% | 0.837 | S | S | * | * | | | trans | -123.8 | 59.3 | -178.3 | -83.3 | 105.8 | 0 | 0 | 0 | 111.6 | | |
| 436 | H | 41.2 | Very low | 36.5 | Very low | 181 Ų | 181 | 141.8 Ų | 141.8 | 84% | 0.838 | 84% | 0.844 | S | S | * | * | | | trans | -144.2 | 74.7 | 172.2 | -70.9 | -57.9 | 0 | 0 | 0 | 112.4 | | |
| 437 | T | 43.3 | Very low | 36.4 | Very low | 133 Ų | 133 | 146.6 Ų | 146.6 | 82% | 0.816 | 85% | 0.845 | S | S | * | * | | | trans | -150.7 | 51.8 | 168.6 | -35.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 438 | L | 39.4 | Very low | 36.2 | Very low | 161 Ų | 161 | 144.1 Ų | 144.1 | 84% | 0.843 | 84% | 0.841 | S | S | * | * | | | trans | -141.7 | 92.6 | 162.7 | -72.9 | 178.2 | 0 | 0 | 0 | 108.2 | | |
| 439 | F | 37.5 | Very low | 37.1 | Very low | 210 Ų | 210 | 143.6 Ų | 143.6 | 92% | 0.921 | 84% | 0.835 | S | S | * | * | | | trans | 164 | 72 | 155 | -86.6 | -56.4 | 0 | 0 | 0 | 110 | | |
| 440 | T | 35.5 | Very low | 37 | Very low | 146 Ų | 146 | 144.9 Ų | 144.9 | 90% | 0.896 | 84% | 0.836 | S | S | * | * | | | trans | -159.2 | 94.7 | 160.2 | -23.3 | 0 | 0 | 0 | 0 | 110 | | |
| 441 | A | 38.1 | Very low | 37.2 | Very low | 103 Ų | 103 | 144 Ų | 144 | 85% | 0.851 | 84% | 0.836 | S | S | * | * | | | trans | -154.8 | 57.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 442 | E | 43.9 | Very low | 37.5 | Very low | 178 Ų | 178 | 142.9 Ų | 142.9 | 83% | 0.832 | 84% | 0.836 | S | S | * | * | | | trans | -157 | 105.2 | 167.4 | 52.2 | -162.8 | -169.7 | 0 | 0 | 105.3 | | |
| 443 | E | 40.8 | Very low | 37.9 | Very low | 205 Ų | 205 | 141 Ų | 141 | 96% | 0.958 | 84% | 0.836 | S | S | * | * | | | | 69.2 | 126.1 | 88.4 | -168 | 174.8 | -157.3 | 0 | 0 | 113.3 | | |
| 444 | G | 39.3 | Very low | 38.3 | Very low | 71 Ų | 71 | 140.1 Ų | 140.1 | 73% | 0.732 | 84% | 0.843 | S | S | * | * | | | trans | 141 | 51.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | L446 | G444-L446 PolarHBondContact O-N 3.13Š|
| 445 | Q | 36.4 | Very low | 38.6 | Very low | 191 Ų | 191 | 139.3 Ų | 139.3 | 89% | 0.893 | 85% | 0.851 | S | S | * | * | | | trans | -77.2 | 112.4 | 168.1 | -86.9 | -78.7 | -23.2 | 0 | 0 | 110.7 | | |
| 446 | L | 41.4 | Very low | 38.9 | Very low | 170 Ų | 170 | 133.5 Ų | 133.5 | 89% | 0.89 | 86% | 0.856 | S | S | * | * | | | trans | -140.7 | 95 | 171.5 | -130 | 89.1 | 0 | 0 | 0 | 113.1 | G444 | G444-L446 PolarHBondContact O-N 3.13Š|
| 447 | Y | 31.8 | Very low | 39 | Very low | 228 Ų | 228 | 128.7 Ų | 128.7 | 89% | 0.894 | 86% | 0.856 | S | S | * | * | | | trans | 43.8 | 116.1 | 139.9 | -145.4 | -92.8 | 0 | 0 | 0 | 121.6 | | |
| 448 | G | 36.2 | Very low | 39 | Very low | 71 Ų | 71 | 126 Ų | 126 | 73% | 0.732 | 86% | 0.855 | S | S | * | * | | | trans | 173.4 | 130.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 449 | P | 49.6 | Very low | 39.1 | Very low | 111 Ų | 111 | 122.5 Ų | 122.5 | 72% | 0.721 | 86% | 0.857 | S | S | * | * | | | trans | -118.7 | 170.1 | -158.2 | 42.9 | -34.4 | 0 | 0 | 0 | 117.7 | | |
| 450 | C | 32.1 | Very low | 39.2 | Very low | 135 Ų | 135 | 116.2 Ų | 116.2 | 91% | 0.912 | 85% | 0.851 | S | S | * | * | | | trans | 74.8 | 132.6 | 159.2 | -63.9 | 0 | 0 | 0 | 0 | 119.7 | | |
| 451 | G | 34.5 | Very low | 39.6 | Very low | 80 Ų | 80 | 113.3 Ų | 113.3 | 83% | 0.825 | 85% | 0.851 | S | S | * | * | | | trans | 149 | 82.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 452 | G | 35.3 | Very low | 39.7 | Very low | 89 Ų | 89 | 112.6 Ų | 112.6 | 92% | 0.918 | 85% | 0.853 | S | S | * | * | | | trans | -69.3 | -177.5 | -169.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 453 | G | 36.6 | Very low | 39.7 | Very low | 81 Ų | 81 | 108.2 Ų | 108.2 | 84% | 0.835 | 86% | 0.856 | S | S | * | * | | | trans | 139.1 | 89.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 454 | G | 38.9 | Very low | 39.9 | Very low | 84 Ų | 84 | 102.6 Ų | 102.6 | 87% | 0.866 | 85% | 0.853 | S | S | * | * | | | | 71.8 | 124.1 | 122.7 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 455 | G | 41.4 | Very low | 40.1 | Very low | 87 Ų | 87 | 103.1 Ų | 103.1 | 90% | 0.897 | 86% | 0.859 | S | S | * | * | | | trans | 89.1 | 135.8 | 157.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 456 | G | 44.2 | Very low | 40.6 | Very low | 88 Ų | 88 | 98.2 Ų | 98.2 | 91% | 0.907 | 86% | 0.859 | S | S | * | * | | | cis | 142.2 | 107.9 | 2 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 457 | G | 43 | Very low | 40.6 | Very low | 81 Ų | 81 | 94.2 Ų | 94.2 | 84% | 0.835 | 86% | 0.859 | S | S | * | * | | | trans | 167.6 | 68.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 458 | G | 42.6 | Very low | 41.1 | Very low | 77 Ų | 77 | 87.4 Ų | 87.4 | 79% | 0.794 | 86% | 0.858 | S | S | * | * | | | trans | -66.2 | 150 | 151.8 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 459 | G | 41.3 | Very low | 41.2 | Very low | 87 Ų | 87 | 88.2 Ų | 88.2 | 90% | 0.897 | 87% | 0.866 | S | S | * | * | | | | 75 | 126.5 | 66.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 460 | G | 40.9 | Very low | 40.5 | Very low | 77 Ų | 77 | 86.9 Ų | 86.9 | 79% | 0.794 | 87% | 0.873 | S | S | * | * | | | cis | 166.5 | -174.6 | 5.2 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 461 | G | 42.2 | Very low | 40.6 | Very low | 86 Ų | 86 | 84.7 Ų | 84.7 | 89% | 0.887 | 87% | 0.873 | S | S | * | * | | | trans | 86.7 | 145.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 462 | G | 41.8 | Very low | 40.6 | Very low | 87 Ų | 87 | 85.1 Ų | 85.1 | 90% | 0.897 | 88% | 0.877 | S | S | * | * | | | cis | 119.1 | 123.4 | 5.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 463 | G | 43 | Very low | 40.6 | Very low | 86 Ų | 86 | 84.5 Ų | 84.5 | 89% | 0.887 | 87% | 0.871 | S | S | * | * | | | trans | 155.5 | 117.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 464 | G | 46.4 | Very low | 40.6 | Very low | 88 Ų | 88 | 90.1 Ų | 90.1 | 91% | 0.907 | 88% | 0.876 | S | S | * | * | | | trans | -118.9 | 174.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 465 | G | 43 | Very low | 40.4 | Very low | 82 Ų | 82 | 90.5 Ų | 90.5 | 85% | 0.845 | 87% | 0.871 | S | S | * | * | | | trans | 152.8 | 139.1 | 179 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 466 | G | 45.3 | Very low | 39.9 | Very low | 87 Ų | 87 | 89.9 Ų | 89.9 | 90% | 0.897 | 86% | 0.864 | S | S | * | * | | | cis | 124.5 | 102.3 | 9 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 467 | G | 41.9 | Very low | 39.2 | Very low | 87 Ų | 87 | 90.1 Ų | 90.1 | 90% | 0.897 | 86% | 0.858 | S | S | * | * | | | trans | 171.1 | 140.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 468 | G | 42.4 | Very low | 38.9 | Very low | 84 Ų | 84 | 93.1 Ų | 93.1 | 87% | 0.866 | 86% | 0.859 | S | S | * | * | | | trans | -156.2 | -177.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 469 | G | 38.3 | Very low | 38.5 | Very low | 88 Ų | 88 | 93.5 Ų | 93.5 | 91% | 0.907 | 86% | 0.855 | S | S | * | * | | | trans | 100.9 | 148.2 | -174 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 470 | G | 35.6 | Very low | 38.8 | Very low | 83 Ų | 83 | 94.2 Ų | 94.2 | 86% | 0.856 | 84% | 0.844 | S | S | * | * | | | cis | 151.4 | 129 | -7.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 471 | G | 34.7 | Very low | 38.3 | Very low | 90 Ų | 90 | 101.3 Ų | 101.3 | 93% | 0.928 | 85% | 0.848 | S | S | * | * | | | trans | 95.2 | 146.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 472 | G | 32.7 | Very low | 37.8 | Very low | 88 Ų | 88 | 100 Ų | 100 | 91% | 0.907 | 83% | 0.834 | S | S | * | * | | | trans | 133.4 | 109.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 473 | G | 36.2 | Very low | 37.1 | Very low | 76 Ų | 76 | 106.6 Ų | 106.6 | 78% | 0.784 | 83% | 0.834 | S | S | * | * | | | trans | -156.6 | 141.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 474 | E | 37.1 | Very low | 36.5 | Very low | 200 Ų | 200 | 108.5 Ų | 108.5 | 94% | 0.935 | 83% | 0.829 | S | S | * | * | | | trans | -168 | 148.7 | 171.4 | -102.1 | 178.4 | 110.4 | 0 | 0 | 105.7 | | |
| 475 | A | 33.8 | Very low | 35.9 | Very low | 92 Ų | 92 | 115.4 Ų | 115.4 | 76% | 0.76 | 83% | 0.827 | S | S | * | * | | | cis | -158.7 | 165.7 | 0.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 476 | G | 31.8 | Very low | 36.1 | Very low | 73 Ų | 73 | 116.9 Ų | 116.9 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | | | trans | 70.7 | 102.1 | 157.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 477 | A | 29.9 | Very low | 36.8 | Very low | 94 Ų | 94 | 117.3 Ų | 117.3 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | | | | 70.9 | 107.5 | 84 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 478 | V | 35 | Very low | 36.5 | Very low | 144 Ų | 144 | 122 Ų | 122 | 87% | 0.873 | 81% | 0.808 | S | S | * | * | | | cis | 68.6 | 123.9 | 49.6 | -177.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 479 | A | 35.6 | Very low | 36 | Very low | 84 Ų | 84 | 121.2 Ų | 121.2 | 69% | 0.694 | 80% | 0.799 | S | S | * | * | | | cis | -146.2 | -148.5 | 9 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 480 | P | 47.4 | Very low | 35.7 | Very low | 103 Ų | 103 | 125.7 Ų | 125.7 | 67% | 0.669 | 80% | 0.801 | S | S | * | * | | | cis | -124.1 | -180 | -22.6 | 22 | 4.4 | 0 | 0 | 0 | 110.9 | | |
| 481 | Y | 30.7 | Very low | 35.4 | Very low | 225 Ų | 225 | 126.6 Ų | 126.6 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | | | cis | -156.8 | 159.9 | 39.4 | -100 | -90.6 | 0 | 0 | 0 | 109.1 | | |
| 482 | G | 31.1 | Very low | 35.2 | Very low | 58 Ų | 58 | 125.8 Ų | 125.8 | 60% | 0.598 | 79% | 0.792 | S | S | * | * | | | trans | -121.9 | 156.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 483 | Y | 27.6 | Very low | 35.2 | Very low | 226 Ų | 226 | 129.7 Ų | 129.7 | 89% | 0.886 | 79% | 0.787 | S | S | * | * | | | trans | -179.1 | 135.8 | 143.8 | -108.4 | -79.2 | 0 | 0 | 0 | 111.5 | | |
| 484 | T | 28.8 | Very low | 34.7 | Very low | 127 Ų | 127 | 133.2 Ų | 133.2 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | | | trans | 26 | 134.6 | 150.5 | 50.7 | 0 | 0 | 0 | 0 | 125 | | |
| 485 | R | 35.3 | Very low | 34.4 | Very low | 232 Ų | 232 | 128 Ų | 128 | 88% | 0.875 | 77% | 0.768 | S | S | * | * | | | trans | -75.2 | 165.1 | 154.7 | 144.5 | -162.7 | -81.2 | -142.2 | 0.9 | 110.7 | | |
| 486 | P | 46.5 | Very low | 34.3 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | | | cis | -127.8 | -134.2 | 15.7 | 29.1 | -1.3 | 0 | 0 | 0 | 115 | | |
| 487 | P | 60.1 | Low | 34.2 | Very low | 96 Ų | 96 | 136.4 Ų | 136.4 | 62% | 0.623 | 77% | 0.774 | S | S | * | * | | | | -125.1 | -155.2 | -104.5 | 43.5 | -23.8 | 0 | 0 | 0 | 115.5 | | |
| 488 | Q | 35.9 | Very low | 34.4 | Very low | 187 Ų | 187 | 138.1 Ų | 138.1 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | | | trans | 78.3 | 151.6 | 173.4 | -60.8 | 142.1 | -48.6 | 0 | 0 | 116.2 | | |
| 489 | G | 31.3 | Very low | 34.8 | Very low | 66 Ų | 66 | 135.5 Ų | 135.5 | 68% | 0.68 | 77% | 0.769 | S | S | * | * | | | cis | 173 | -170.8 | -3.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 490 | L | 31.9 | Very low | 35.1 | Very low | 182 Ų | 182 | 137.4 Ų | 137.4 | 95% | 0.953 | 77% | 0.774 | S | S | * | * | | | trans | 99.4 | 124.5 | 176.3 | -55.6 | -176.8 | 0 | 0 | 0 | 115.3 | | |
| 491 | A | 29.9 | Very low | 34.7 | Very low | 102 Ų | 102 | 139.8 Ų | 139.8 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | | | cis | -160.1 | 160 | -13.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 492 | G | 30.2 | Very low | 35.3 | Very low | 73 Ų | 73 | 134.3 Ų | 134.3 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | | | cis | -171.2 | 176.7 | -2.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 493 | Q | 32.1 | Very low | 35.3 | Very low | 171 Ų | 171 | 142.3 Ų | 142.3 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | | | trans | 21.1 | 145.8 | 160.2 | -89.8 | -174.4 | -87.6 | 0 | 0 | 122.1 | | |
| 494 | E | 27 | Very low | 35.7 | Very low | 150 Ų | 150 | 141.9 Ų | 141.9 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | | | cis | -164.4 | 153.6 | 13 | 47.6 | -145.1 | 112.9 | 0 | 0 | 114.4 | | |
| 495 | S | 30 | Very low | 36.7 | Very low | 90 Ų | 90 | 141.3 Ų | 141.3 | 63% | 0.629 | 78% | 0.78 | S | S | * | * | | | trans | 45.9 | 109.9 | 151.1 | 58.7 | 0 | 0 | 0 | 0 | 123.2 | | |
| 496 | D | 33.1 | Very low | 36.8 | Very low | 141 Ų | 141 | 134 Ų | 134 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | | | | 61 | 150.5 | 119.6 | -63 | -61.9 | 0 | 0 | 0 | 125.3 | | |
| 497 | F | 28.5 | Very low | 36.3 | Very low | 200 Ų | 200 | 131.7 Ų | 131.7 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | | | trans | 102.7 | 150.9 | 155.8 | -64.6 | -70 | 0 | 0 | 0 | 121.6 | | |
| 498 | T | 33.9 | Very low | 35.4 | Very low | 131 Ų | 131 | 136 Ų | 136 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | -77.8 | 165.4 | -163.6 | -38.6 | 0 | 0 | 0 | 0 | 113.7 | | |
| 499 | A | 42.9 | Very low | 35.8 | Very low | 89 Ų | 89 | 133.7 Ų | 133.7 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | | | trans | -51.8 | 155.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 500 | P | 43.8 | Very low | 36.3 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | | | trans | -134.5 | 155.2 | 139.3 | 37.4 | -25.7 | 0 | 0 | 0 | 115.2 | | |
| 501 | D | 38 | Very low | 36.7 | Very low | 152 Ų | 152 | 138.5 Ų | 138.5 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | | | trans | -76 | -179 | 172.5 | -82.7 | -84.7 | 0 | 0 | 0 | 114.7 | | |
| 502 | V | 43.5 | Very low | 37.1 | Very low | 110 Ų | 110 | 140 Ų | 140 | 67% | 0.667 | 79% | 0.785 | S | S | * | * | | | trans | 80.3 | 119 | 153.8 | -148.5 | 0 | 0 | 0 | 0 | 117.2 | | |
| 503 | W | 30.8 | Very low | 37.6 | Very low | 226 Ų | 226 | 142.1 Ų | 142.1 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | | | | 168.2 | 110.8 | 107.6 | -92.7 | 95.5 | 0 | 0 | 0 | 111.9 | | |
| 504 | Y | 37 | Very low | 37.4 | Very low | 217 Ų | 217 | 144 Ų | 144 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | | | trans | -84.2 | 143.5 | 156.7 | -112.2 | -83.2 | 0 | 0 | 0 | 108.9 | | |
| 505 | P | 48.4 | Very low | 38 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | | | trans | -129.1 | 131 | 139.6 | 33.3 | -22.5 | 0 | 0 | 0 | 111.4 | | |
| 506 | G | 37.1 | Very low | 38.1 | Very low | 77 Ų | 77 | 142.6 Ų | 142.6 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | | | trans | -83.9 | 152.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 507 | G | 37.4 | Very low | 38.6 | Very low | 66 Ų | 66 | 141.2 Ų | 141.2 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | | | trans | -174.9 | 87.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 508 | M | 40.8 | Very low | 39.1 | Very low | 187 Ų | 187 | 138.4 Ų | 138.4 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | | | trans | 78.9 | 143.5 | 140.5 | -40.2 | -174.5 | -151.5 | 0 | 0 | 121.7 | | |
| 509 | V | 43 | Very low | 39.5 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | | | trans | 83.6 | 105.8 | 158.2 | -155.5 | 0 | 0 | 0 | 0 | 120 | | |
| 510 | S | 42.2 | Very low | 39.3 | Very low | 108 Ų | 108 | 140.5 Ų | 140.5 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | | | trans | -35.7 | 136 | 166.5 | -48 | 0 | 0 | 0 | 0 | 118.1 | | |
| 511 | R | 40.2 | Very low | 39.1 | Very low | 241 Ų | 241 | 142.7 Ų | 142.7 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | | | trans | -135.3 | 128.8 | 137.5 | -73.8 | -166.8 | 177.2 | 175.4 | 0.4 | 110.5 | | |
| 512 | V | 39.3 | Very low | 39.3 | Very low | 132 Ų | 132 | 140.7 Ų | 140.7 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 128.6 | 175.7 | 171.6 | 0 | 0 | 0 | 0 | 109.6 | Y514 | V512-Y514 PolarHBondContact O-N 3.09Š|
| 513 | P | 39.9 | Very low | 39.5 | Very low | 119 Ų | 119 | 142.6 Ų | 142.6 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 125.3 | 165 | -15.8 | 31.2 | 0 | 0 | 0 | 110.4 | | |
| 514 | Y | 28.8 | Very low | 40.1 | Very low | 209 Ų | 209 | 138 Ų | 138 | 82% | 0.82 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 142.5 | 179.2 | -165.1 | -91.1 | 0 | 0 | 0 | 111.7 | V512 S516 | V512-Y514 PolarHBondContact O-N 3.09Å; Y514-S516 PolarHBondContact O-N 3.03Å |
| 515 | P | 40.3 | Very low | 40.3 | Very low | 105 Ų | 105 | 129.6 Ų | 129.6 | 68% | 0.682 | 76% | 0.762 | S | S | * | * | | | trans | -75.4 | 114 | 175.8 | 30.5 | -32.5 | 0 | 0 | 0 | 110.5 | | |
| 516 | S | 31.9 | Very low | 40.5 | Very low | 106 Ų | 106 | 129.5 Ų | 129.5 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | | | trans | -82.5 | 134.4 | 171.1 | 50.9 | 0 | 0 | 0 | 0 | 110.8 | Y514 | Y514-S516 PolarHBondContact O-N 3.03Š|
| 517 | P | 41.9 | Very low | 41 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | trans | -81.6 | 140 | -167.6 | 30.9 | -35.5 | 0 | 0 | 0 | 113.8 | C519 | P517-C519 PolarHBondContact O-N 3.44Š|
| 518 | T | 39.1 | Very low | 41.3 | Very low | 142 Ų | 142 | 136.6 Ų | 136.6 | 87% | 0.871 | 75% | 0.751 | S | S | * | * | | | trans | -71.8 | 100.1 | 167.8 | 47.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 519 | C | 43.9 | Very low | 41.7 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 78% | 0.777 | 74% | 0.743 | S | S | * | * | | | trans | -144.4 | 64.7 | 174 | -87.6 | 0 | 0 | 0 | 0 | 113.3 | P517 | P517-C519 PolarHBondContact O-N 3.44Š|
| 520 | V | 37.2 | Very low | 41.8 | Very low | 149 Ų | 149 | 132.9 Ų | 132.9 | 90% | 0.903 | 74% | 0.738 | S | S | * | * | | | trans | -132.9 | 109.7 | 147.3 | -163.6 | 0 | 0 | 0 | 0 | 108.5 | S522 | V520-S522 PolarHBondContact O-N 3.49Å; V520-S522 VanDerWaalsContact O-N 3.15Å |
| 521 | K | 39.3 | Very low | 41.9 | Very low | 169 Ų | 169 | 138.1 Ų | 138.1 | 74% | 0.735 | 74% | 0.742 | S | S | * | * | | | trans | -72.4 | 98.3 | -178.2 | 178.3 | -171.8 | 171.2 | -160.2 | 0 | 109.9 | E523 | K521-E523 WeakPolarHBondContact CE-OE2 3.49Å; K521-E523 IonicContact NZ-OE2 2.62Å; K521-E523 PolarHBondContact NZ-OE2 3.29Å; K521-E523 PolarHBondContact O-N 3.07Å |
| 522 | S | 42.4 | Very low | 42.3 | Very low | 111 Ų | 111 | 132.3 Ų | 132.3 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | | | trans | -83.2 | 93.9 | 163.3 | -167.9 | 0 | 0 | 0 | 0 | 108.7 | V520 M524 | V520-S522 PolarHBondContact O-N 3.49Å; V520-S522 VanDerWaalsContact O-N 3.15Å; S522-M524 PolarHBondContact O-N 3.49Å |
| 523 | E | 48 | Very low | 42.7 | Very low | 149 Ų | 149 | 127.9 Ų | 127.9 | 70% | 0.696 | 72% | 0.72 | S | S | * | * | | | trans | -74.8 | 73.3 | 177.4 | -168.1 | 177.7 | 128 | 0 | 0 | 110.7 | K521 | K521-E523 WeakPolarHBondContact CE-OE2 3.49Å; K521-E523 IonicContact NZ-OE2 2.62Å; K521-E523 PolarHBondContact NZ-OE2 3.29Å; K521-E523 PolarHBondContact O-N 3.07Å |
| 524 | M | 43.7 | Very low | 43.2 | Very low | 131 Ų | 131 | 127.6 Ų | 127.6 | 65% | 0.645 | 72% | 0.718 | S | S | * | * | | | trans | -131.7 | 78 | 163.4 | -164 | 65.7 | -179.7 | 0 | 0 | 108.4 | S522 W527 | S522-M524 PolarHBondContact O-N 3.49Å; M524-W527 HydrophobicContact CE-CZ2 3.79Å |
| 525 | G | 42.1 | Very low | 43.8 | Very low | 40 Ų | 40 | 125.6 Ų | 125.6 | 41% | 0.412 | 71% | 0.71 | S | S | . | * | | | trans | -71.1 | 171 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | W527 | G525-W527 PolarHBondContact O-N 2.98Š|
| 526 | P | 52.3 | Low | 44.1 | Very low | 114 Ų | 114 | 122.5 Ų | 122.5 | 74% | 0.74 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -78.5 | 30.2 | -161.4 | -15.9 | 33.3 | 0 | 0 | 0 | 116.5 | M528 | P526-M528 VanDerWaalsContact C-N 3.3Å; P526-M528 PolarHBondContact O-N 2.93Å |
| 527 | W | 48 | Very low | 45 | Very low | 174 Ų | 174 | 122.1 Ų | 122.1 | 66% | 0.659 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -9.7 | -171.9 | 60.8 | -90.9 | 0 | 0 | 0 | 114.7 | M524 G525 | M524-W527 HydrophobicContact CE-CZ2 3.79Å; G525-W527 PolarHBondContact O-N 2.98Å |
| 528 | M | 43.5 | Very low | 45.4 | Very low | 118 Ų | 118 | 121.3 Ų | 121.3 | 58% | 0.581 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -20.8 | -179.7 | -90.1 | -100.3 | 55 | 0 | 0 | 114.8 | P526 | P526-M528 VanDerWaalsContact C-N 3.3Å; P526-M528 PolarHBondContact O-N 2.93Å |
| 529 | D | 49.3 | Very low | 46.1 | Very low | 143 Ų | 143 | 122.6 Ų | 122.6 | 77% | 0.765 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -91.4 | -10.9 | -172 | -69.9 | -61.5 | 0 | 0 | 0 | 114.5 | | |
| 530 | S | 45.2 | Very low | 46.3 | Very low | 104 Ų | 104 | 120.7 Ų | 120.7 | 73% | 0.727 | 65% | 0.646 | S | S | * | * | | | trans | -88.9 | -3.7 | -177 | -55.7 | 0 | 0 | 0 | 0 | 115.6 | S532 | S530-S532 PolarHBondContact O-N 3.39Å; S530-S532 VanDerWaalsContact O-N 3.1Å |
| 531 | Y | 42.8 | Very low | 47.3 | Very low | 217 Ų | 217 | 115.7 Ų | 115.7 | 85% | 0.851 | 62% | 0.616 | S | S | * | * | | | trans | -84.6 | 37.6 | 179.1 | -99.5 | -78.3 | 0 | 0 | 0 | 114.6 | | |
| 532 | S | 49.9 | Very low | 48.1 | Very low | 120 Ų | 120 | 116.7 Ų | 116.7 | 84% | 0.839 | 62% | 0.615 | S | S | * | * | | | trans | -99.6 | 50.4 | 166.6 | -68.5 | 0 | 0 | 0 | 0 | 111.8 | S530 | S530-S532 PolarHBondContact O-N 3.39Å; S530-S532 VanDerWaalsContact O-N 3.1Å |
| 533 | G | 47.7 | Very low | 49 | Very low | 39 Ų | 39 | 119.3 Ų | 119.3 | 40% | 0.402 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -90.8 | 164.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y535 G536 | G533-Y535 PolarHBondContact O-N 3.34Å; G533-G536 PolarHBondContact O-N 3.02Å |
| 534 | P | 49.6 | Very low | 49.9 | Very low | 112 Ų | 112 | 118.8 Ų | 118.8 | 73% | 0.727 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -10.1 | -172.2 | 22.3 | -33.9 | 0 | 0 | 0 | 115.9 | G536 D537 | P534-G536 VanDerWaalsContact C-N 3.26Å; P534-G536 PolarHBondContact O-N 3.19Å; P534-D537 PolarHBondContact O-N 3.13Å |
| 535 | Y | 41.5 | Very low | 51.1 | Low | 167 Ų | 167 | 121.1 Ų | 121.1 | 66% | 0.655 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63.5 | -25.2 | 175.7 | -108.1 | -96.2 | 0 | 0 | 0 | 114.6 | G533 D537 | G533-Y535 PolarHBondContact O-N 3.34Å; Y535-D537 VanDerWaalsContact C-N 3.35Å |
| 536 | G | 46.7 | Very low | 52.6 | Low | 41 Ų | 41 | 124.2 Ų | 124.2 | 42% | 0.423 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.9 | -39 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | G533 P534 N540 | G533-G536 PolarHBondContact O-N 3.02Å; P534-G536 VanDerWaalsContact C-N 3.26Å; P534-G536 PolarHBondContact O-N 3.19Å; G536-N540 PolarHBondContact O-N 3.23Å; G536-N540 PolarHBondContact O-ND2 2.96Å |
| 537 | D | 50.5 | Low | 53.7 | Low | 97 Ų | 97 | 127.3 Ų | 127.3 | 52% | 0.519 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -79.2 | -31.1 | -176.8 | -162 | 24.8 | 0 | 0 | 0 | 112.5 | P534 Y535 R539 N540 T541 | P534-D537 PolarHBondContact O-N 3.13Å; Y535-D537 VanDerWaalsContact C-N 3.35Å; D537-R539 VanDerWaalsContact C-N 3.29Å; D537-R539 PolarHBondContact O-N 2.96Å; D537-N540 PolarHBondContact O-N 2.68Å; D537-T541 WeakPolarHBondContact O-CB 3.28Å; D537-T541 WeakPolarHBondContact O-CG2 3.47Å; D537-T541 PolarHBondContact O-N 3.16Å; D537-T541 PolarHBondContact O-OG1 3.39Å |
| 538 | M | 50.4 | Low | 54.9 | Low | 96 Ų | 96 | 126.5 Ų | 126.5 | 47% | 0.473 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -62.5 | -32.5 | 172.1 | -88.3 | 153.4 | 60.8 | 0 | 0 | 113.3 | T541 R542 | M538-T541 WeakPolarHBondContact CA-OG1 3.4Å; M538-T541 PolarHBondContact O-OG1 3.03Å; M538-R542 WeakPolarHBondContact O-CB 3.32Å; M538-R542 VanDerWaalsContact O-CG 3.31Å; M538-R542 WeakPolarHBondContact O-CG 3.44Å; M538-R542 PolarHBondContact O-N 3.1Å; M538-R542 VanDerWaalsContact O-N 3.13Å |
| 539 | R | 53.3 | Low | 56.4 | Low | 168 Ų | 168 | 125.5 Ų | 125.5 | 63% | 0.634 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -72.2 | -41.3 | 172.7 | -67.7 | -176.7 | 179 | -172.5 | 0.3 | 111.7 | D537 R543 | D537-R539 VanDerWaalsContact C-N 3.29Å; D537-R539 PolarHBondContact O-N 2.96Å; R539-R543 WeakPolarHBondContact O-CG 3.41Å; R539-R543 PolarHBondContact O-N 3.05Å |
| 540 | N | 49.1 | Very low | 57.7 | Low | 75 Ų | 75 | 122.5 Ų | 122.5 | 40% | 0.401 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -70.6 | -39 | 178.6 | -76 | -34.2 | 0 | 0 | 0 | 113.1 | G536 D537 R543 K544 | G536-N540 PolarHBondContact O-N 3.23Å; G536-N540 PolarHBondContact O-ND2 2.96Å; D537-N540 PolarHBondContact O-N 2.68Å; N540-R543 PolarHBondContact O-N 2.84Å; N540-K544 WeakPolarHBondContact O-CB 3.3Å; N540-K544 VanDerWaalsContact O-CG 3.23Å; N540-K544 WeakPolarHBondContact O-CG 3.49Å; N540-K544 PolarHBondContact O-N 2.85Å |
| 541 | T | 58.2 | Low | 59 | Low | 44 Ų | 44 | 121.1 Ų | 121.1 | 27% | 0.27 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.8 | -39.5 | 174.9 | 52.9 | 0 | 0 | 0 | 0 | 112.2 | D537 M538 K544 R545 | D537-T541 WeakPolarHBondContact O-CB 3.28Å; D537-T541 WeakPolarHBondContact O-CG2 3.47Å; D537-T541 PolarHBondContact O-N 3.16Å; D537-T541 PolarHBondContact O-OG1 3.39Å; M538-T541 WeakPolarHBondContact CA-OG1 3.4Å; M538-T541 PolarHBondContact O-OG1 3.03Å; T541-K544 PolarHBondContact O-N 3.29Å; T541-R545 WeakPolarHBondContact O-CG 3.44Å; T541-R545 PolarHBondContact O-N 3.36Å |
| 542 | R | 55.8 | Low | 60.4 | Low | 191 Ų | 191 | 119.3 Ų | 119.3 | 72% | 0.721 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -60.6 | -45.7 | 171.1 | -77.5 | -175 | -175.7 | -155.6 | 3.1 | 111.8 | M538 R545 L546 | M538-R542 WeakPolarHBondContact O-CB 3.32Å; M538-R542 VanDerWaalsContact O-CG 3.31Å; M538-R542 WeakPolarHBondContact O-CG 3.44Å; M538-R542 PolarHBondContact O-N 3.1Å; M538-R542 VanDerWaalsContact O-N 3.13Å; R542-R545 PolarHBondContact O-N 3.49Å; R542-L546 WeakPolarHBondContact O-CB 3.47Å; R542-L546 PolarHBondContact O-N 3.29Å |
| 543 | R | 62.1 | Low | 61.3 | Low | 166 Ų | 166 | 117.1 Ų | 117.1 | 63% | 0.626 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.6 | -44.2 | 174.1 | -71.8 | 176.8 | -166.2 | 164.2 | -0.3 | 112.5 | R539 N540 R545 L546 W547 | R539-R543 WeakPolarHBondContact O-CG 3.41Å; R539-R543 PolarHBondContact O-N 3.05Å; N540-R543 PolarHBondContact O-N 2.84Å; R543-R545 VanDerWaalsContact C-N 3.35Å; R543-R545 PolarHBondContact O-N 3.17Å; R543-L546 PolarHBondContact O-N 3.34Å; R543-W547 VanDerWaalsContact O-CB 3.28Å; R543-W547 WeakPolarHBondContact O-CB 3.35Å; R543-W547 PolarHBondContact O-N 3.4Å |
| 544 | K | 66.8 | Low | 62.3 | Low | 137 Ų | 137 | 119.5 Ų | 119.5 | 60% | 0.596 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.1 | -37.8 | 176.4 | -73.7 | 167.8 | -178 | 176.2 | 0 | 112.4 | N540 T541 K548 | N540-K544 WeakPolarHBondContact O-CB 3.3Å; N540-K544 VanDerWaalsContact O-CG 3.23Å; N540-K544 WeakPolarHBondContact O-CG 3.49Å; N540-K544 PolarHBondContact O-N 2.85Å; T541-K544 PolarHBondContact O-N 3.29Å; K544-K548 WeakPolarHBondContact O-CG 3.46Å; K544-K548 PolarHBondContact O-N 3.1Å; K544-K548 VanDerWaalsContact O-N 3.14Å |
| 545 | R | 67.6 | Low | 62.8 | Low | 181 Ų | 181 | 118.4 Ų | 118.4 | 68% | 0.683 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -69.5 | -44.5 | 174.6 | -70.2 | 179.5 | -161.4 | -140 | 5.9 | 111.7 | T541 R542 R543 K548 L549 | T541-R545 WeakPolarHBondContact O-CG 3.44Å; T541-R545 PolarHBondContact O-N 3.36Å; R542-R545 PolarHBondContact O-N 3.49Å; R543-R545 VanDerWaalsContact C-N 3.35Å; R543-R545 PolarHBondContact O-N 3.17Å; R545-K548 PolarHBondContact O-N 3.47Å; R545-L549 PolarHBondContact O-N 3.16Å |
| 546 | L | 74.4 | Confident | 63.5 | Low | 104 Ų | 104 | 114.2 Ų | 114.2 | 55% | 0.545 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 176.8 | -171 | 66.7 | 0 | 0 | 0 | 111.5 | R542 R543 K548 L549 I550 | R542-L546 WeakPolarHBondContact O-CB 3.47Å; R542-L546 PolarHBondContact O-N 3.29Å; R543-L546 PolarHBondContact O-N 3.34Å; L546-K548 PolarHBondContact O-N 3.36Å; L546-L549 WeakPolarHBondContact O-CB 3.41Å; L546-L549 PolarHBondContact O-N 2.74Å; L546-L549 VanDerWaalsContact O-N 3.16Å; L546-I550 HydrophobicContact CG-CD1 3.99Å; L546-I550 WeakPolarHBondContact O-CG1 3.36Å; L546-I550 PolarHBondContact O-N 3.46Å |
| 547 | W | 75.4 | Confident | 63.7 | Low | 179 Ų | 179 | 117.1 Ų | 117.1 | 68% | 0.678 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.6 | -42.9 | 175.2 | -171.1 | -94 | 0 | 0 | 0 | 112.6 | R543 L549 I550 I551 | R543-W547 VanDerWaalsContact O-CB 3.28Å; R543-W547 WeakPolarHBondContact O-CB 3.35Å; R543-W547 PolarHBondContact O-N 3.4Å; W547-L549 VanDerWaalsContact C-N 3.35Å; W547-L549 PolarHBondContact O-N 3.17Å; W547-I550 PolarHBondContact O-N 2.88Å; W547-I551 VanDerWaalsContact NE1-CD1 3.26Å; W547-I551 PolarHBondContact O-N 3.29Å |
| 548 | K | 72.6 | Confident | 63.9 | Low | 158 Ų | 158 | 118.5 Ų | 118.5 | 69% | 0.687 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.3 | -35.9 | 173.6 | -77 | -176.1 | 176.3 | -169.4 | 0 | 112.9 | K544 R545 L546 R552 | K544-K548 WeakPolarHBondContact O-CG 3.46Å; K544-K548 PolarHBondContact O-N 3.1Å; K544-K548 VanDerWaalsContact O-N 3.14Å; R545-K548 PolarHBondContact O-N 3.47Å; L546-K548 PolarHBondContact O-N 3.36Å; K548-R552 VanDerWaalsContact O-CB 3.28Å; K548-R552 WeakPolarHBondContact O-CB 3.5Å; K548-R552 PolarHBondContact O-N 3.03Å |
| 549 | L | 74.9 | Confident | 63.5 | Low | 96 Ų | 96 | 118.6 Ų | 118.6 | 50% | 0.503 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.4 | -44.7 | 175.2 | -78.5 | 160.7 | 0 | 0 | 0 | 111.7 | R545 L546 W547 R552 S553 | R545-L549 PolarHBondContact O-N 3.16Å; L546-L549 WeakPolarHBondContact O-CB 3.41Å; L546-L549 PolarHBondContact O-N 2.74Å; L546-L549 VanDerWaalsContact O-N 3.16Å; W547-L549 VanDerWaalsContact C-N 3.35Å; W547-L549 PolarHBondContact O-N 3.17Å; L549-R552 PolarHBondContact O-N 2.94Å; L549-S553 WeakPolarHBondContact O-CB 3.39Å; L549-S553 PolarHBondContact O-N 2.94Å |
| 550 | I | 76.8 | Confident | 62.7 | Low | 81 Ų | 81 | 115 Ų | 115 | 42% | 0.415 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.9 | -50.3 | 177 | -69.5 | 165.2 | 0 | 0 | 0 | 110.6 | L546 W547 R552 S553 I554 | L546-I550 HydrophobicContact CG-CD1 3.99Å; L546-I550 WeakPolarHBondContact O-CG1 3.36Å; L546-I550 PolarHBondContact O-N 3.46Å; W547-I550 PolarHBondContact O-N 2.88Å; I550-R552 VanDerWaalsContact C-N 3.32Å; I550-R552 PolarHBondContact O-N 3.47Å; I550-S553 PolarHBondContact O-N 3.14Å; I550-I554 HydrophobicContact CG2-CD1 3.67Å; I550-I554 HydrophobicContact CG2-CG1 4.48Å; I550-I554 VanDerWaalsContact O-CG1 3.32Å; I550-I554 WeakPolarHBondContact O-CG1 3.37Å; I550-I554 PolarHBondContact O-N 3.07Å |
| 551 | I | 74 | Confident | 62.3 | Low | 75 Ų | 75 | 116.5 Ų | 116.5 | 39% | 0.385 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60.8 | -41 | 177.3 | -72.4 | -178.4 | 0 | 0 | 0 | 111.6 | W547 I554 N555 | W547-I551 VanDerWaalsContact NE1-CD1 3.26Å; W547-I551 PolarHBondContact O-N 3.29Å; I551-I554 PolarHBondContact O-N 3.34Å; I551-N555 WeakPolarHBondContact O-CB 3.35Å; I551-N555 PolarHBondContact O-N 3.15Å |
| 552 | R | 71.6 | Confident | 61.7 | Low | 179 Ų | 179 | 125.6 Ų | 125.6 | 68% | 0.675 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -67.6 | -35.8 | 178.3 | -170.2 | 163 | 65.2 | 131.8 | 1.4 | 112.7 | K548 L549 I550 S556 | K548-R552 VanDerWaalsContact O-CB 3.28Å; K548-R552 WeakPolarHBondContact O-CB 3.5Å; K548-R552 PolarHBondContact O-N 3.03Å; L549-R552 PolarHBondContact O-N 2.94Å; I550-R552 VanDerWaalsContact C-N 3.32Å; I550-R552 PolarHBondContact O-N 3.47Å; R552-S556 WeakPolarHBondContact O-CB 3.23Å; R552-S556 PolarHBondContact O-N 3.29Å |
| 553 | S | 68.4 | Low | 61 | Low | 73 Ų | 73 | 124.8 Ų | 124.8 | 51% | 0.51 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -65.9 | -45.6 | 173.2 | -163.9 | 0 | 0 | 0 | 0 | 111.5 | L549 I550 S556 C557 | L549-S553 WeakPolarHBondContact O-CB 3.39Å; L549-S553 PolarHBondContact O-N 2.94Å; I550-S553 PolarHBondContact O-N 3.14Å; S553-S556 WeakPolarHBondContact O-CB 3.29Å; S553-S556 PolarHBondContact O-N 3.12Å; S553-C557 PolarHBondContact O-N 3.41Å; S553-C557 PolarHBondContact O-SG 2.87Å; S553-C557 VanDerWaalsContact O-SG 3.34Å |
| 554 | I | 69.5 | Low | 60 | Low | 90 Ų | 90 | 122.7 Ų | 122.7 | 46% | 0.462 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -61.9 | -46.5 | 179 | -68.6 | 166.7 | 0 | 0 | 0 | 110.7 | I550 I551 S556 C557 I558 | I550-I554 HydrophobicContact CG2-CD1 3.67Å; I550-I554 HydrophobicContact CG2-CG1 4.48Å; I550-I554 VanDerWaalsContact O-CG1 3.32Å; I550-I554 WeakPolarHBondContact O-CG1 3.37Å; I550-I554 PolarHBondContact O-N 3.07Å; I551-I554 PolarHBondContact O-N 3.34Å; I554-S556 VanDerWaalsContact C-N 3.3Å; I554-S556 PolarHBondContact O-N 3.4Å; I554-C557 PolarHBondContact O-N 3.14Å; I554-C557 VanDerWaalsContact O-N 3.16Å; I554-I558 HydrophobicContact CG2-CD1 3.81Å; I554-I558 WeakPolarHBondContact O-CG1 3.14Å; I554-I558 PolarHBondContact O-N 3.12Å; I554-I558 VanDerWaalsContact O-N 3.13Å |
| 555 | N | 59.8 | Low | 58.6 | Low | 88 Ų | 88 | 124.9 Ų | 124.9 | 47% | 0.471 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -64.1 | -34.3 | 176.1 | -72.1 | -11.6 | 0 | 0 | 0 | 112.3 | I551 C557 I558 C559 | I551-N555 WeakPolarHBondContact O-CB 3.35Å; I551-N555 PolarHBondContact O-N 3.15Å; N555-C557 VanDerWaalsContact C-N 3.34Å; N555-C557 PolarHBondContact O-N 3.39Å; N555-I558 PolarHBondContact O-N 3.28Å; N555-C559 WeakPolarHBondContact O-CB 3.43Å; N555-C559 PolarHBondContact O-N 3.33Å; N555-C559 VanDerWaalsContact O-N 3.16Å; N555-C559 PolarHBondContact O-SG 2.96Å |
| 556 | S | 55.7 | Low | 57.4 | Low | 79 Ų | 79 | 121.9 Ų | 121.9 | 55% | 0.552 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -65.3 | -35.7 | 173.9 | -163.2 | 0 | 0 | 0 | 0 | 112.6 | R552 S553 I554 I558 | R552-S556 WeakPolarHBondContact O-CB 3.23Å; R552-S556 PolarHBondContact O-N 3.29Å; S553-S556 WeakPolarHBondContact O-CB 3.29Å; S553-S556 PolarHBondContact O-N 3.12Å; I554-S556 VanDerWaalsContact C-N 3.3Å; I554-S556 PolarHBondContact O-N 3.4Å; S556-I558 VanDerWaalsContact C-N 3.34Å |
| 557 | C | 51.4 | Low | 56.1 | Low | 102 Ų | 102 | 122.5 Ų | 122.5 | 69% | 0.689 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -73.6 | -23.6 | 175.9 | -64.5 | 0 | 0 | 0 | 0 | 113.5 | S553 I554 N555 | S553-C557 PolarHBondContact O-N 3.41Å; S553-C557 PolarHBondContact O-SG 2.87Å; S553-C557 VanDerWaalsContact O-SG 3.34Å; I554-C557 PolarHBondContact O-N 3.14Å; I554-C557 VanDerWaalsContact O-N 3.16Å; N555-C557 VanDerWaalsContact C-N 3.34Å; N555-C557 PolarHBondContact O-N 3.39Å |
| 558 | I | 53.2 | Low | 54.3 | Low | 126 Ų | 126 | 120.3 Ų | 120.3 | 65% | 0.646 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -83.9 | -24.8 | 178.1 | -66.4 | 165.7 | 0 | 0 | 0 | 111.6 | I554 N555 S556 | I554-I558 HydrophobicContact CG2-CD1 3.81Å; I554-I558 WeakPolarHBondContact O-CG1 3.14Å; I554-I558 PolarHBondContact O-N 3.12Å; I554-I558 VanDerWaalsContact O-N 3.13Å; N555-I558 PolarHBondContact O-N 3.28Å; S556-I558 VanDerWaalsContact C-N 3.34Å |
| 559 | C | 43.1 | Very low | 52.7 | Low | 99 Ų | 99 | 124 Ų | 124 | 67% | 0.669 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -101.9 | 12.5 | -174.1 | -67.3 | 0 | 0 | 0 | 0 | 115.6 | N555 P561 | N555-C559 WeakPolarHBondContact O-CB 3.43Å; N555-C559 PolarHBondContact O-N 3.33Å; N555-C559 VanDerWaalsContact O-N 3.16Å; N555-C559 PolarHBondContact O-SG 2.96Å; C559-P561 WeakPolarHBondContact O-CD 3.38Å |
| 560 | S | 35.6 | Very low | 51 | Low | 91 Ų | 91 | 128.2 Ų | 128.2 | 64% | 0.636 | 67% | 0.673 | S | S | * | * | | | trans | -91.5 | 102.5 | 170.1 | -72.4 | 0 | 0 | 0 | 0 | 111.1 | R562 | S560-R562 PolarHBondContact O-N 3.05Š|
| 561 | P | 42.3 | Very low | 49.3 | Very low | 107 Ų | 107 | 133 Ų | 133 | 70% | 0.695 | 69% | 0.694 | S | S | * | * | | | trans | -64.5 | 130.3 | 165.3 | 28.5 | -33.4 | 0 | 0 | 0 | 109.3 | C559 E563 | C559-P561 WeakPolarHBondContact O-CD 3.38Å; P561-E563 PolarHBondContact O-N 3.25Å; P561-E563 VanDerWaalsContact O-N 3.11Å |
| 562 | R | 44.3 | Very low | 47.7 | Very low | 236 Ų | 236 | 142.5 Ų | 142.5 | 89% | 0.891 | 73% | 0.733 | S | S | * | * | | | trans | -75.8 | 91.8 | 165.5 | -81.8 | -177.9 | 166.6 | -174.9 | -4.8 | 108.5 | S560 T564 | S560-R562 PolarHBondContact O-N 3.05Å; R562-T564 VanDerWaalsContact C-N 3.33Å; R562-T564 PolarHBondContact O-N 3.11Å |
| 563 | E | 41.3 | Very low | 46.5 | Very low | 173 Ų | 173 | 140.7 Ų | 140.7 | 81% | 0.808 | 74% | 0.736 | S | S | * | * | | | trans | -73.5 | 91.3 | 163.3 | -70.4 | -170.5 | 153.2 | 0 | 0 | 109.1 | P561 E565 | P561-E563 PolarHBondContact O-N 3.25Å; P561-E563 VanDerWaalsContact O-N 3.11Å; E563-E565 VanDerWaalsContact C-N 3.35Å; E563-E565 PolarHBondContact O-N 3.33Å |
| 564 | T | 42.3 | Very low | 45.3 | Very low | 122 Ų | 122 | 144.3 Ų | 144.3 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | | | trans | -82.7 | 82 | 164.4 | 47 | 0 | 0 | 0 | 0 | 109.2 | R562 V566 | R562-T564 VanDerWaalsContact C-N 3.33Å; R562-T564 PolarHBondContact O-N 3.11Å; T564-V566 PolarHBondContact O-N 3.03Å |
| 565 | E | 36.5 | Very low | 44 | Very low | 183 Ų | 183 | 147.3 Ų | 147.3 | 86% | 0.855 | 76% | 0.763 | S | S | * | * | | | trans | -66.4 | 119.2 | 163.5 | -79.2 | -160.5 | 126.5 | 0 | 0 | 109.7 | E563 | E563-E565 VanDerWaalsContact C-N 3.35Å; E563-E565 PolarHBondContact O-N 3.33Å |
| 566 | V | 43.1 | Very low | 43.1 | Very low | 119 Ų | 119 | 150.8 Ų | 150.8 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | | | trans | -94.9 | 116.5 | 171.2 | 178 | 0 | 0 | 0 | 0 | 107.9 | T564 V568 | T564-V566 PolarHBondContact O-N 3.03Å; V566-V568 PolarHBondContact O-N 3.15Å |
| 567 | P | 45.3 | Very low | 42.3 | Very low | 117 Ų | 117 | 155.3 Ų | 155.3 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | | | trans | -74.2 | 101 | 179.3 | 28.8 | -33.3 | 0 | 0 | 0 | 110.6 | R569 | P567-R569 PolarHBondContact O-N 3.05Š|
| 568 | V | 38.6 | Very low | 41.7 | Very low | 132 Ų | 132 | 158.8 Ų | 158.8 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | | | trans | -66.7 | 103.4 | 169.2 | 176.8 | 0 | 0 | 0 | 0 | 108.8 | V566 Q570 | V566-V568 PolarHBondContact O-N 3.15Å; V568-Q570 PolarHBondContact O-N 3.29Å; V568-Q570 VanDerWaalsContact O-N 3.15Å |
| 569 | R | 38.3 | Very low | 40.8 | Very low | 235 Ų | 235 | 161.1 Ų | 161.1 | 89% | 0.887 | 81% | 0.813 | S | S | * | * | | | trans | -69.4 | 108.1 | 167.9 | -79.8 | -169.3 | 172.2 | -173.4 | -0.6 | 109.5 | P567 Q571 | P567-R569 PolarHBondContact O-N 3.05Å; R569-Q571 PolarHBondContact O-N 3.26Å |
| 570 | Q | 40.7 | Very low | 40.7 | Very low | 185 Ų | 185 | 165.9 Ų | 165.9 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | | | trans | -55.5 | 119.8 | 158.4 | -78.9 | -81.3 | 18.2 | 0 | 0 | 108.9 | V568 | V568-Q570 PolarHBondContact O-N 3.29Å; V568-Q570 VanDerWaalsContact O-N 3.15Å |
| 571 | Q | 40.1 | Very low | 41.1 | Very low | 183 Ų | 183 | 172.2 Ų | 172.2 | 86% | 0.855 | 84% | 0.84 | S | S | * | * | | | trans | -98.8 | 134 | 173 | -165.9 | 168.1 | 2.7 | 0 | 0 | 108.5 | R569 | R569-Q571 PolarHBondContact O-N 3.26Š|
| 572 | K | 40.4 | Very low | 41 | Very low | 274 Ų | 274 | 178.1 Ų | 178.1 | 100% | 1.191 | 85% | 0.853 | S | S | * | * | | | trans | -80.1 | 0 | -176.6 | -179.7 | -177.6 | 176.2 | -176.5 | 0 | 112 | | |