| 1 | M | 53.9 | Low | 52.9 | Low | 213 Ų | 213 | 125 Ų | 125 | 100% | 1.049 | 65% | 0.651 | S | S | * | * | | | | 0 | -33.9 | 0 | -83.5 | -175.5 | 155.7 | 0 | 0 | 114 | W3 L4 | M1-W3 VanDerWaalsContact C-N 3.33Å; M1-W3 PolarHBondContact O-N 3.28Å; M1-L4 PolarHBondContact O-N 3.26Å |
| 2 | N | 58.4 | Low | 52.6 | Low | 145 Ų | 145 | 120.4 Ų | 120.4 | 78% | 0.775 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -60.5 | -31 | -175.9 | -72.4 | -1.8 | 0 | 0 | 0 | 116.2 | L4 C5 T6 | N2-L4 PolarHBondContact O-N 3.2Å; N2-C5 PolarHBondContact O-N 3.47Å; N2-T6 PolarHBondContact O-N 3.35Å |
| 3 | W | 48.8 | Very low | 51.9 | Low | 210 Ų | 210 | 122.8 Ų | 122.8 | 80% | 0.795 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -72.7 | -27.6 | -175.7 | -151.4 | 59.8 | 0 | 0 | 0 | 114.1 | M1 T6 L7 | M1-W3 VanDerWaalsContact C-N 3.33Å; M1-W3 PolarHBondContact O-N 3.28Å; W3-T6 PolarHBondContact O-OG1 3.33Å; W3-L7 HydrophobicContact CZ3-CD1 4.44Å; W3-L7 PolarHBondContact O-N 3.25Å |
| 4 | L | 52.2 | Low | 51.4 | Low | 136 Ų | 136 | 119.8 Ų | 119.8 | 71% | 0.712 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -73.7 | -32.9 | 176.6 | -83.9 | 155.6 | 0 | 0 | 0 | 112 | M1 N2 L7 A8 | M1-L4 PolarHBondContact O-N 3.26Å; N2-L4 PolarHBondContact O-N 3.2Å; L4-L7 PolarHBondContact O-N 3.44Å; L4-A8 PolarHBondContact O-N 3.32Å; L4-A8 VanDerWaalsContact O-N 3.16Å |
| 5 | C | 55.9 | Low | 51 | Low | 84 Ų | 84 | 117.8 Ų | 117.8 | 57% | 0.568 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -68 | -37.6 | 175.9 | -77.9 | 0 | 0 | 0 | 0 | 112.3 | N2 L7 A8 L9 | N2-C5 PolarHBondContact O-N 3.47Å; C5-L7 PolarHBondContact O-N 3.33Å; C5-A8 PolarHBondContact O-N 3.11Å; C5-L9 WeakPolarHBondContact O-CG 3.22Å; C5-L9 PolarHBondContact O-N 3.22Å; C5-L9 VanDerWaalsContact O-N 3.1Å |
| 6 | T | 59.5 | Low | 50.7 | Low | 79 Ų | 79 | 116.9 Ų | 116.9 | 49% | 0.485 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -66.4 | -37.3 | 177.7 | 40.1 | 0 | 0 | 0 | 0 | 112.6 | N2 W3 F10 | N2-T6 PolarHBondContact O-N 3.35Å; W3-T6 PolarHBondContact O-OG1 3.33Å; T6-F10 PolarHBondContact O-N 3.22Å; T6-F10 VanDerWaalsContact O-N 3.09Å |
| 7 | L | 49.4 | Very low | 50.2 | Low | 88 Ų | 88 | 116.2 Ų | 116.2 | 46% | 0.461 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -69.4 | -40 | 176.8 | -111.8 | 156.9 | 0 | 0 | 0 | 112 | W3 L4 C5 L9 F10 V11 | W3-L7 HydrophobicContact CZ3-CD1 4.44Å; W3-L7 PolarHBondContact O-N 3.25Å; L4-L7 PolarHBondContact O-N 3.44Å; C5-L7 PolarHBondContact O-N 3.33Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 3.43Å; L7-F10 PolarHBondContact O-N 3.27Å; L7-V11 WeakPolarHBondContact O-CG2 3.47Å; L7-V11 PolarHBondContact O-N 2.83Å |
| 8 | A | 51.4 | Low | 49.5 | Very low | 55 Ų | 55 | 111.6 Ų | 111.6 | 46% | 0.455 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -63.8 | -38.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L4 C5 S12 | L4-A8 PolarHBondContact O-N 3.32Å; L4-A8 VanDerWaalsContact O-N 3.16Å; C5-A8 PolarHBondContact O-N 3.11Å; A8-S12 WeakPolarHBondContact O-CB 3.42Å; A8-S12 PolarHBondContact O-N 3.46Å; A8-S12 PolarHBondContact O-OG 3Å |
| 9 | L | 54.1 | Low | 48.9 | Very low | 117 Ų | 117 | 112.9 Ų | 112.9 | 61% | 0.613 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -67.8 | -38 | 174.4 | -72.8 | 173.8 | 0 | 0 | 0 | 112.2 | C5 L7 S12 F13 | C5-L9 WeakPolarHBondContact O-CG 3.22Å; C5-L9 PolarHBondContact O-N 3.22Å; C5-L9 VanDerWaalsContact O-N 3.1Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 3.43Å; L9-S12 PolarHBondContact O-N 3.34Å; L9-F13 PolarHBondContact O-N 2.89Å |
| 10 | F | 47.1 | Very low | 48.8 | Very low | 155 Ų | 155 | 113 Ų | 113 | 68% | 0.68 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -67 | -41.6 | 178.5 | -133.7 | -89.6 | 0 | 0 | 0 | 112.2 | T6 L7 S12 F13 S14 | T6-F10 PolarHBondContact O-N 3.22Å; T6-F10 VanDerWaalsContact O-N 3.09Å; L7-F10 PolarHBondContact O-N 3.27Å; F10-S12 VanDerWaalsContact C-N 3.34Å; F10-F13 PolarHBondContact O-N 3.12Å; F10-S14 PolarHBondContact O-N 2.84Å; F10-S14 PolarHBondContact O-OG 3.43Å; F10-S14 VanDerWaalsContact O-OG 3.1Å |
| 11 | V | 51 | Low | 48.4 | Very low | 93 Ų | 93 | 117.7 Ų | 117.7 | 56% | 0.564 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -66.4 | -38.9 | 175.4 | 176.3 | 0 | 0 | 0 | 0 | 111 | L7 F13 S14 S15 | L7-V11 WeakPolarHBondContact O-CG2 3.47Å; L7-V11 PolarHBondContact O-N 2.83Å; V11-F13 VanDerWaalsContact C-N 3.33Å; V11-F13 PolarHBondContact O-N 3.06Å; V11-S14 PolarHBondContact O-N 3.01Å; V11-S15 PolarHBondContact O-N 2.91Å; V11-S15 VanDerWaalsContact O-N 3.09Å; V11-S15 PolarHBondContact O-OG 3.01Å |
| 12 | S | 49.2 | Very low | 47.7 | Very low | 70 Ų | 70 | 113.1 Ų | 113.1 | 49% | 0.49 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.4 | -36.6 | 177.2 | -57.1 | 0 | 0 | 0 | 0 | 112.2 | A8 L9 F10 S15 S16 | A8-S12 WeakPolarHBondContact O-CB 3.42Å; A8-S12 PolarHBondContact O-N 3.46Å; A8-S12 PolarHBondContact O-OG 3Å; L9-S12 PolarHBondContact O-N 3.34Å; F10-S12 VanDerWaalsContact C-N 3.34Å; S12-S15 WeakPolarHBondContact CA-OG 3.24Å; S12-S15 PolarHBondContact O-N 2.9Å; S12-S15 PolarHBondContact O-OG 2.98Å; S12-S16 PolarHBondContact O-N 3.44Å |
| 13 | F | 43.4 | Very low | 46.9 | Very low | 151 Ų | 151 | 114.4 Ų | 114.4 | 66% | 0.662 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67.2 | -42 | 174.3 | -118.7 | -92.9 | 0 | 0 | 0 | 111.8 | L9 F10 V11 S15 S16 V17 | L9-F13 PolarHBondContact O-N 2.89Å; F10-F13 PolarHBondContact O-N 3.12Å; V11-F13 VanDerWaalsContact C-N 3.33Å; V11-F13 PolarHBondContact O-N 3.06Å; F13-S15 VanDerWaalsContact C-N 3.28Å; F13-S15 PolarHBondContact O-N 2.94Å; F13-S16 PolarHBondContact O-N 2.7Å; F13-S16 VanDerWaalsContact O-N 3.17Å; F13-V17 HydrophobicContact CD1-CG2 4.37Å; F13-V17 WeakPolarHBondContact O-CG2 3.37Å; F13-V17 PolarHBondContact O-N 3.19Å |
| 14 | S | 44.7 | Very low | 46.6 | Very low | 81 Ų | 81 | 114.2 Ų | 114.2 | 57% | 0.566 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65.5 | -29.1 | 177.8 | -58.9 | 0 | 0 | 0 | 0 | 113.4 | F10 V11 | F10-S14 PolarHBondContact O-N 2.84Å; F10-S14 PolarHBondContact O-OG 3.43Å; F10-S14 VanDerWaalsContact O-OG 3.1Å; V11-S14 PolarHBondContact O-N 3.01Å |
| 15 | S | 46.7 | Very low | 45.9 | Very low | 90 Ų | 90 | 112 Ų | 112 | 63% | 0.629 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -79.1 | -25.5 | 173.7 | 47 | 0 | 0 | 0 | 0 | 113.9 | V11 S12 F13 | V11-S15 PolarHBondContact O-N 2.91Å; V11-S15 VanDerWaalsContact O-N 3.09Å; V11-S15 PolarHBondContact O-OG 3.01Å; S12-S15 WeakPolarHBondContact CA-OG 3.24Å; S12-S15 PolarHBondContact O-N 2.9Å; S12-S15 PolarHBondContact O-OG 2.98Å; F13-S15 VanDerWaalsContact C-N 3.28Å; F13-S15 PolarHBondContact O-N 2.94Å |
| 16 | S | 45.9 | Very low | 45 | Very low | 104 Ų | 104 | 114.4 Ų | 114.4 | 73% | 0.727 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -86.9 | -25.2 | 178.1 | -179 | 0 | 0 | 0 | 0 | 113 | S12 F13 G18 | S12-S16 PolarHBondContact O-N 3.44Å; F13-S16 PolarHBondContact O-N 2.7Å; F13-S16 VanDerWaalsContact O-N 3.17Å; S16-G18 PolarHBondContact O-N 3.3Å |
| 17 | V | 42 | Very low | 44.1 | Very low | 104 Ų | 104 | 115.4 Ų | 115.4 | 63% | 0.63 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -84.8 | 57.1 | 165 | -166.2 | 0 | 0 | 0 | 0 | 107.3 | F13 L19 | F13-V17 HydrophobicContact CD1-CG2 4.37Å; F13-V17 WeakPolarHBondContact O-CG2 3.37Å; F13-V17 PolarHBondContact O-N 3.19Å; V17-L19 PolarHBondContact O-N 2.99Å |
| 18 | G | 37.3 | Very low | 43.6 | Very low | 34 Ų | 34 | 117.1 Ų | 117.1 | 35% | 0.351 | 62% | 0.623 | S | S | . | * | | | trans | -55.9 | 132.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | S16 D20 | S16-G18 PolarHBondContact O-N 3.3Å; G18-D20 PolarHBondContact O-N 3Å |
| 19 | L | 39 | Very low | 42.9 | Very low | 136 Ų | 136 | 120.5 Ų | 120.5 | 71% | 0.712 | 63% | 0.628 | S | S | * | * | S | Bend | trans | 18.2 | -12.5 | 140.2 | -73.6 | 151.6 | 0 | 0 | 0 | 122 | V17 W21 L22 E23 | V17-L19 PolarHBondContact O-N 2.99Å; L19-W21 PolarHBondContact O-N 3.49Å; L19-L22 HydrophobicContact CD2-CD1 4.38Å; L19-L22 PolarHBondContact O-N 3.28Å; L19-E23 PolarHBondContact O-N 3.09Å |
| 20 | D | 45.1 | Very low | 42.2 | Very low | 115 Ų | 115 | 121.6 Ų | 121.6 | 62% | 0.615 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -57.8 | -30.3 | 174.7 | -79.1 | 2.7 | 0 | 0 | 0 | 112.5 | G18 L22 R24 | G18-D20 PolarHBondContact O-N 3Å; D20-L22 VanDerWaalsContact C-N 3.28Å; D20-L22 PolarHBondContact O-N 3.05Å; D20-R24 WeakPolarHBondContact O-CB 3.38Å; D20-R24 PolarHBondContact O-N 3.18Å; D20-R24 VanDerWaalsContact O-N 3.13Å |
| 21 | W | 41 | Very low | 41.6 | Very low | 211 Ų | 211 | 121.1 Ų | 121.1 | 80% | 0.799 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -72.7 | -23.1 | 177.1 | -160 | 62.8 | 0 | 0 | 0 | 112.9 | L19 | L19-W21 PolarHBondContact O-N 3.49Å |
| 22 | L | 38.9 | Very low | 41.1 | Very low | 118 Ų | 118 | 125.4 Ų | 125.4 | 62% | 0.618 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -82.9 | -30.9 | 176.5 | -102.2 | 143.2 | 0 | 0 | 0 | 112.4 | L19 D20 I25 | L19-L22 HydrophobicContact CD2-CD1 4.38Å; L19-L22 PolarHBondContact O-N 3.28Å; D20-L22 VanDerWaalsContact C-N 3.28Å; D20-L22 PolarHBondContact O-N 3.05Å; L22-I25 HydrophobicContact CD2-CD1 4.36Å |
| 23 | E | 42.3 | Very low | 40.5 | Very low | 172 Ų | 172 | 129.7 Ų | 129.7 | 80% | 0.804 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -77.5 | -20.3 | 171 | -79.9 | -171.4 | 168.1 | 0 | 0 | 113.4 | L19 I25 | L19-E23 PolarHBondContact O-N 3.09Å; E23-I25 VanDerWaalsContact C-N 3.32Å |
| 24 | R | 42 | Very low | 40.3 | Very low | 205 Ų | 205 | 129.4 Ų | 129.4 | 77% | 0.774 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | 3.7 | 174.1 | -80.6 | -172.9 | -178.9 | -176.7 | 2.9 | 115.1 | D20 E26 | D20-R24 WeakPolarHBondContact O-CB 3.38Å; D20-R24 PolarHBondContact O-N 3.18Å; D20-R24 VanDerWaalsContact O-N 3.13Å; R24-E26 VanDerWaalsContact C-N 3.26Å; R24-E26 PolarHBondContact O-N 3.37Å |
| 25 | I | 38.3 | Very low | 39.8 | Very low | 91 Ų | 91 | 132.3 Ų | 132.3 | 47% | 0.467 | 66% | 0.664 | S | S | . | * | S | Bend | trans | -70.8 | 96.4 | 165.2 | -58.3 | 178.5 | 0 | 0 | 0 | 105.9 | L22 E23 P27 | L22-I25 HydrophobicContact CD2-CD1 4.36Å; E23-I25 VanDerWaalsContact C-N 3.32Å; I25-P27 VanDerWaalsContact O-N 3.17Å |
| 26 | E | 36.6 | Very low | 39.5 | Very low | 133 Ų | 133 | 132.5 Ų | 132.5 | 62% | 0.621 | 66% | 0.662 | S | S | * | * | | | trans | -42.7 | 122.5 | 171.9 | -79.5 | -177.9 | 156.4 | 0 | 0 | 109 | R24 D28 F29 | R24-E26 VanDerWaalsContact C-N 3.26Å; R24-E26 PolarHBondContact O-N 3.37Å; E26-D28 PolarHBondContact O-N 3.22Å; E26-F29 PolarHBondContact O-N 3.38Å |
| 27 | P | 40.5 | Very low | 39 | Very low | 101 Ų | 101 | 135.8 Ų | 135.8 | 66% | 0.656 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -59.6 | -13 | 180 | 20.1 | -29.7 | 0 | 0 | 0 | 113.1 | I25 F29 I30 | I25-P27 VanDerWaalsContact O-N 3.17Å; P27-F29 PolarHBondContact O-N 3.06Å; P27-F29 VanDerWaalsContact O-N 3.14Å; P27-I30 PolarHBondContact O-N 3.26Å; P27-I30 VanDerWaalsContact O-N 3.07Å |
| 28 | D | 39 | Very low | 38.7 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 66% | 0.658 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -61.5 | -18 | 175.1 | -72.5 | 7.9 | 0 | 0 | 0 | 113.8 | E26 I30 D31 | E26-D28 PolarHBondContact O-N 3.22Å; D28-I30 VanDerWaalsContact C-N 3.25Å; D28-I30 PolarHBondContact O-N 3.23Å; D28-D31 PolarHBondContact O-N 2.98Å |
| 29 | F | 37.3 | Very low | 38.6 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 56% | 0.557 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -74.3 | -13.6 | 174.4 | -105 | -93 | 0 | 0 | 0 | 114.3 | E26 P27 | E26-F29 PolarHBondContact O-N 3.38Å; P27-F29 PolarHBondContact O-N 3.06Å; P27-F29 VanDerWaalsContact O-N 3.14Å |
| 30 | I | 38.4 | Very low | 38.5 | Very low | 140 Ų | 140 | 145.5 Ų | 145.5 | 72% | 0.718 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -82.9 | -18.7 | 178.6 | -55.5 | 179.1 | 0 | 0 | 0 | 111.4 | P27 D28 R32 | P27-I30 PolarHBondContact O-N 3.26Å; P27-I30 VanDerWaalsContact O-N 3.07Å; D28-I30 VanDerWaalsContact C-N 3.25Å; D28-I30 PolarHBondContact O-N 3.23Å; I30-R32 PolarHBondContact O-N 3.25Å |
| 31 | D | 35.9 | Very low | 38.1 | Very low | 145 Ų | 145 | 145.6 Ų | 145.6 | 78% | 0.775 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -79.6 | 22.7 | 173.2 | -86.9 | -3 | 0 | 0 | 0 | 113.5 | D28 E33 | D28-D31 PolarHBondContact O-N 2.98Å; D31-E33 PolarHBondContact O-N 3.34Å |
| 32 | R | 40 | Very low | 37.8 | Very low | 182 Ų | 182 | 145.3 Ų | 145.3 | 69% | 0.687 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -68.1 | 79.6 | 160.6 | -77.3 | -171.7 | 176.4 | -159.6 | -2.9 | 109.1 | I30 I34 | I30-R32 PolarHBondContact O-N 3.25Å; R32-I34 PolarHBondContact O-N 3.43Å |
| 33 | E | 36 | Very low | 37.9 | Very low | 160 Ų | 160 | 144.2 Ų | 144.2 | 75% | 0.748 | 69% | 0.692 | S | S | * | * | | | trans | 26.1 | 78.3 | 143.4 | -154.6 | 176.8 | -150.1 | 0 | 0 | 111 | D31 Q35 | D31-E33 PolarHBondContact O-N 3.34Å; E33-Q35 PolarHBondContact O-N 3.46Å |
| 34 | I | 39.3 | Very low | 37.8 | Very low | 145 Ų | 145 | 145.2 Ų | 145.2 | 74% | 0.744 | 69% | 0.693 | S | S | * | * | | | trans | -60.2 | 92.9 | 168 | -60.8 | 171.8 | 0 | 0 | 0 | 104.8 | R32 V36 | R32-I34 PolarHBondContact O-N 3.43Å; I34-V36 HydrophobicContact CG2-CG2 3.91Å; I34-V36 PolarHBondContact O-N 3.3Å |
| 35 | Q | 35.2 | Very low | 37.8 | Very low | 142 Ų | 142 | 141.2 Ų | 141.2 | 66% | 0.664 | 70% | 0.697 | S | S | * | * | | | trans | -65.7 | 87.4 | 167.6 | -77.4 | -172.2 | 2 | 0 | 0 | 106.3 | E33 K37 | E33-Q35 PolarHBondContact O-N 3.46Å; Q35-K37 PolarHBondContact O-N 2.63Å |
| 36 | V | 38.7 | Very low | 37.7 | Very low | 94 Ų | 94 | 139.9 Ų | 139.9 | 57% | 0.57 | 71% | 0.706 | S | S | * | * | | | trans | -61.5 | 94.4 | 165.7 | -178.6 | 0 | 0 | 0 | 0 | 105.3 | I34 E38 | I34-V36 HydrophobicContact CG2-CG2 3.91Å; I34-V36 PolarHBondContact O-N 3.3Å; V36-E38 HydrophobicContact CG1-CG 4.1Å; V36-E38 PolarHBondContact O-N 3.21Å |
| 37 | K | 36.9 | Very low | 37.7 | Very low | 174 Ų | 174 | 143.5 Ų | 143.5 | 76% | 0.757 | 72% | 0.719 | S | S | * | * | | | trans | -66.8 | 88.9 | 168 | -81.7 | -176.8 | 176.7 | 175.8 | 0 | 106.7 | Q35 Q39 | Q35-K37 PolarHBondContact O-N 2.63Å; K37-Q39 PolarHBondContact O-N 3.17Å |
| 38 | E | 35 | Very low | 37.7 | Very low | 156 Ų | 156 | 143 Ų | 143 | 73% | 0.729 | 72% | 0.723 | S | S | * | * | | | trans | -63.8 | 83 | 168.1 | -76 | -167.4 | 145.9 | 0 | 0 | 108.8 | V36 Q40 | V36-E38 HydrophobicContact CG1-CG 4.1Å; V36-E38 PolarHBondContact O-N 3.21Å; E38-Q40 PolarHBondContact O-N 2.91Å; E38-Q40 VanDerWaalsContact O-N 3.17Å |
| 39 | Q | 35.4 | Very low | 37.6 | Very low | 164 Ų | 164 | 145.4 Ų | 145.4 | 77% | 0.766 | 73% | 0.73 | S | S | * | * | | | trans | -78.2 | 97.5 | 164.2 | -85.1 | -173 | -4.1 | 0 | 0 | 108.1 | K37 V41 | K37-Q39 PolarHBondContact O-N 3.17Å; Q39-V41 VanDerWaalsContact C-N 3.28Å; Q39-V41 PolarHBondContact O-N 3.48Å |
| 40 | Q | 36.3 | Very low | 37.5 | Very low | 158 Ų | 158 | 146.1 Ų | 146.1 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | | | trans | -62.2 | 94 | 160.3 | -107.6 | -176.1 | 14 | 0 | 0 | 108.4 | E38 R42 | E38-Q40 PolarHBondContact O-N 2.91Å; E38-Q40 VanDerWaalsContact O-N 3.17Å; Q40-R42 VanDerWaalsContact C-N 3.33Å; Q40-R42 PolarHBondContact O-N 2.74Å |
| 41 | V | 36.9 | Very low | 37.2 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 70% | 0.703 | 74% | 0.739 | S | S | * | * | | | trans | -71.4 | 92.6 | 172.4 | -177.4 | 0 | 0 | 0 | 0 | 107.5 | Q39 P43 | Q39-V41 VanDerWaalsContact C-N 3.28Å; Q39-V41 PolarHBondContact O-N 3.48Å; V41-P43 WeakPolarHBondContact O-CD 3.46Å |
| 42 | R | 35.7 | Very low | 37.2 | Very low | 206 Ų | 206 | 139.5 Ų | 139.5 | 78% | 0.777 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 123 | 167.3 | -74.1 | -175.5 | 179.3 | 173.6 | 0.5 | 107.9 | Q40 K44 | Q40-R42 VanDerWaalsContact C-N 3.33Å; Q40-R42 PolarHBondContact O-N 2.74Å; R42-K44 PolarHBondContact O-N 3.04Å |
| 43 | P | 40.5 | Very low | 37.3 | Very low | 94 Ų | 94 | 138.5 Ų | 138.5 | 61% | 0.61 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 128.3 | 170.5 | 22.9 | -29.8 | 0 | 0 | 0 | 108.5 | V41 S45 | V41-P43 WeakPolarHBondContact O-CD 3.46Å; P43-S45 PolarHBondContact O-N 3.18Å; P43-S45 VanDerWaalsContact O-N 3.14Å |
| 44 | K | 40.6 | Very low | 37.5 | Very low | 194 Ų | 194 | 135.3 Ų | 135.3 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 120.1 | 171.6 | -71.7 | -177.3 | 176.5 | -176.8 | 0 | 107.1 | R42 G46 | R42-K44 PolarHBondContact O-N 3.04Å; K44-G46 VanDerWaalsContact C-N 3.3Å; K44-G46 PolarHBondContact O-N 3.09Å |
| 45 | S | 40.7 | Very low | 37.5 | Very low | 121 Ų | 121 | 133.1 Ų | 133.1 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | | | trans | -57.7 | 95.4 | 172.6 | 54.8 | 0 | 0 | 0 | 0 | 108.5 | P43 K47 | P43-S45 PolarHBondContact O-N 3.18Å; P43-S45 VanDerWaalsContact O-N 3.14Å; S45-K47 PolarHBondContact O-N 3.36Å |
| 46 | G | 37.6 | Very low | 37.8 | Very low | 63 Ų | 63 | 131.8 Ų | 131.8 | 65% | 0.649 | 75% | 0.745 | S | S | * | * | | | trans | -61.4 | 132.4 | 165 | 0 | 0 | 0 | 0 | 0 | 107.2 | K44 A48 | K44-G46 VanDerWaalsContact C-N 3.3Å; K44-G46 PolarHBondContact O-N 3.09Å; G46-A48 PolarHBondContact O-N 3.28Å |
| 47 | K | 35.1 | Very low | 37.8 | Very low | 209 Ų | 209 | 129.4 Ų | 129.4 | 91% | 0.909 | 74% | 0.74 | S | S | * | * | | | trans | -54.2 | 92.6 | 166.3 | -80.4 | 178 | 171.6 | 179.7 | 0 | 107.6 | S45 E49 | S45-K47 PolarHBondContact O-N 3.36Å; K47-E49 PolarHBondContact O-N 3.46Å; K47-E49 VanDerWaalsContact O-N 3.17Å |
| 48 | A | 40.2 | Very low | 38 | Very low | 89 Ų | 89 | 128 Ų | 128 | 74% | 0.736 | 74% | 0.736 | S | S | * | * | | | trans | -76.9 | 100 | 167.1 | 0 | 0 | 0 | 0 | 0 | 105.7 | G46 T50 | G46-A48 PolarHBondContact O-N 3.28Å; A48-T50 PolarHBondContact O-N 3.2Å |
| 49 | E | 37.7 | Very low | 38.2 | Very low | 174 Ų | 174 | 127.8 Ų | 127.8 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | | | trans | -52.6 | 129.5 | 163.1 | -66.8 | 174.8 | 157.7 | 0 | 0 | 108.6 | K47 | K47-E49 PolarHBondContact O-N 3.46Å; K47-E49 VanDerWaalsContact O-N 3.17Å |
| 50 | T | 35 | Very low | 38.5 | Very low | 142 Ų | 142 | 125.2 Ų | 125.2 | 87% | 0.871 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 46.5 | 93.6 | 152.8 | 52.5 | 0 | 0 | 0 | 0 | 116.8 | A48 | A48-T50 PolarHBondContact O-N 3.2Š|
| 51 | G | 33.1 | Very low | 38.8 | Very low | 56 Ų | 56 | 119.7 Ų | 119.7 | 58% | 0.577 | 71% | 0.705 | S | S | * | * | | | trans | 176.8 | 101.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 52 | A | 36.1 | Very low | 39.2 | Very low | 91 Ų | 91 | 121.6 Ų | 121.6 | 75% | 0.752 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -41.5 | 142.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S54 | A52-S54 VanDerWaalsContact C-N 3.34Å; A52-S54 PolarHBondContact O-N 3.03Å |
| 53 | D | 40.8 | Very low | 39.7 | Very low | 161 Ų | 161 | 115.7 Ų | 115.7 | 86% | 0.861 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.3 | 16.4 | 161.9 | -48.3 | -24.4 | 0 | 0 | 0 | 118.4 | S55 | D53-S55 PolarHBondContact O-N 2.95Š|
| 54 | S | 40.4 | Very low | 40.2 | Very low | 92 Ų | 92 | 114 Ų | 114 | 64% | 0.643 | 67% | 0.674 | S | S | * | * | | | trans | -76.2 | 83.8 | 160.8 | 56.4 | 0 | 0 | 0 | 0 | 108.8 | A52 S56 | A52-S54 VanDerWaalsContact C-N 3.34Å; A52-S54 PolarHBondContact O-N 3.03Å; S54-S56 VanDerWaalsContact C-N 3.35Å; S54-S56 PolarHBondContact O-N 3.26Å |
| 55 | S | 40.4 | Very low | 40.9 | Very low | 100 Ų | 100 | 110 Ų | 110 | 70% | 0.699 | 66% | 0.661 | S | S | * | * | | | trans | -47.9 | 107.9 | 161.3 | 59.8 | 0 | 0 | 0 | 0 | 106.1 | D53 G57 | D53-S55 PolarHBondContact O-N 2.95Å; S55-G57 PolarHBondContact O-N 3.07Å |
| 56 | S | 41.4 | Very low | 41.4 | Very low | 113 Ų | 113 | 106.1 Ų | 106.1 | 79% | 0.79 | 63% | 0.634 | S | S | * | * | | | trans | -63.2 | 93.4 | 179.2 | 45 | 0 | 0 | 0 | 0 | 106.1 | S54 Q58 | S54-S56 VanDerWaalsContact C-N 3.35Å; S54-S56 PolarHBondContact O-N 3.26Å; S56-Q58 VanDerWaalsContact C-N 3.33Å; S56-Q58 PolarHBondContact O-N 3.08Å |
| 57 | G | 37.5 | Very low | 42 | Very low | 45 Ų | 45 | 111.6 Ų | 111.6 | 46% | 0.464 | 64% | 0.635 | S | S | . | * | | | trans | -56.2 | 104.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | S55 F59 | S55-G57 PolarHBondContact O-N 3.07Å; G57-F59 VanDerWaalsContact C-N 3.32Å; G57-F59 WeakPolarHBondContact O-CD2 3.33Å; G57-F59 PolarHBondContact O-N 3.46Å |
| 58 | Q | 40.9 | Very low | 43.1 | Very low | 143 Ų | 143 | 108.3 Ų | 108.3 | 67% | 0.668 | 62% | 0.617 | S | S | * | * | | | trans | -67.1 | 100.1 | -178.5 | -150.3 | 167.7 | 16.8 | 0 | 0 | 104.9 | S56 F60 | S56-Q58 VanDerWaalsContact C-N 3.33Å; S56-Q58 PolarHBondContact O-N 3.08Å; Q58-F60 HydrophobicContact CB-CD2 4.44Å; Q58-F60 HydrophobicContact CB-CE2 3.75Å; Q58-F60 HydrophobicContact CB-CZ 4Å; Q58-F60 HydrophobicContact CG-CE1 4.41Å; Q58-F60 HydrophobicContact CG-CE2 4.12Å; Q58-F60 HydrophobicContact CG-CZ 3.84Å; Q58-F60 WeakPolarHBondContact O-CD2 3.32Å; Q58-F60 WeakPolarHBondContact O-CE2 3.47Å; Q58-F60 PolarHBondContact O-N 2.91Å |
| 59 | F | 40.3 | Very low | 43.8 | Very low | 152 Ų | 152 | 110.1 Ų | 110.1 | 67% | 0.667 | 62% | 0.621 | S | S | * | * | | | trans | -68.3 | 103 | -179 | -93.1 | -91.8 | 0 | 0 | 0 | 108.1 | G57 G61 | G57-F59 VanDerWaalsContact C-N 3.32Å; G57-F59 WeakPolarHBondContact O-CD2 3.33Å; G57-F59 PolarHBondContact O-N 3.46Å; F59-G61 VanDerWaalsContact C-N 3.3Å; F59-G61 PolarHBondContact O-N 2.89Å |
| 60 | F | 41.4 | Very low | 45.1 | Very low | 111 Ų | 111 | 106.5 Ų | 106.5 | 49% | 0.487 | 63% | 0.63 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.1 | 73.9 | 170 | -62.7 | -77.9 | 0 | 0 | 0 | 108.4 | Q58 H82 | Q58-F60 HydrophobicContact CB-CD2 4.44Å; Q58-F60 HydrophobicContact CB-CE2 3.75Å; Q58-F60 HydrophobicContact CB-CZ 4Å; Q58-F60 HydrophobicContact CG-CE1 4.41Å; Q58-F60 HydrophobicContact CG-CE2 4.12Å; Q58-F60 HydrophobicContact CG-CZ 3.84Å; Q58-F60 WeakPolarHBondContact O-CD2 3.32Å; Q58-F60 WeakPolarHBondContact O-CE2 3.47Å; Q58-F60 PolarHBondContact O-N 2.91Å; F60-H82 HydrophobicContact CB-CB 4.18Å; F60-H82 VanDerWaalsContact O-CB 3.31Å; F60-H82 WeakPolarHBondContact O-CB 3.26Å; F60-H82 PolarHBondContact O-CD2 3.47Å; F60-H82 PolarHBondContact O-N 2.94Å; F60-H82 VanDerWaalsContact O-N 3.13Å |
| 61 | G | 43.5 | Very low | 45.8 | Very low | 42 Ų | 42 | 101.4 Ų | 101.4 | 43% | 0.433 | 60% | 0.6 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.5 | 126.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | F59 Y80 | F59-G61 VanDerWaalsContact C-N 3.3Å; F59-G61 PolarHBondContact O-N 2.89Å; G61-Y80 CarbonylContact C-O 3.6Å; G61-Y80 VanDerWaalsContact CA-O 3.26Å; G61-Y80 WeakPolarHBondContact CA-O 3.28Å |
| 62 | R | 44.3 | Very low | 47.1 | Very low | 156 Ų | 156 | 106.1 Ų | 106.1 | 59% | 0.589 | 61% | 0.611 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.1 | 119.1 | 163.4 | -72.1 | -176.1 | 176.3 | 179.8 | -2.8 | 107.9 | Y80 | R62-Y80 PolarHBondContact N-O 3.4Å; R62-Y80 PolarHBondContact O-N 3.12Å |
| 63 | T | 47.3 | Very low | 48.1 | Very low | 82 Ų | 82 | 110.5 Ų | 110.5 | 50% | 0.503 | 62% | 0.616 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.9 | 111.6 | 171.5 | -52.1 | 0 | 0 | 0 | 0 | 107.9 | I65 I77 H78 | T63-I65 HydrophobicContact CG2-CG1 4.26Å; T63-I77 HydrophobicContact CG2-CG2 3.55Å; T63-H78 WeakPolarHBondContact CA-O 3.27Å |
| 64 | V | 49.7 | Very low | 48.5 | Very low | 57 Ų | 57 | 107.5 Ų | 107.5 | 35% | 0.345 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.4 | 127.1 | 173.4 | -177.3 | 0 | 0 | 0 | 0 | 107.6 | I77 H78 Y80 | V64-I77 WeakPolarHBondContact O-CA 3.44Å; V64-H78 HydrophobicContact CB-CB 4.5Å; V64-H78 PolarHBondContact N-O 3.35Å; V64-H78 PolarHBondContact O-N 3.35Å; V64-Y80 HydrophobicContact CB-CE2 4.39Å; V64-Y80 HydrophobicContact CG2-CD2 4.22Å; V64-Y80 HydrophobicContact CG2-CE2 3.99Å |
| 65 | I | 54.9 | Low | 48.9 | Very low | 111 Ų | 111 | 106.7 Ų | 106.7 | 57% | 0.569 | 59% | 0.588 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111.7 | 106.5 | 178.4 | -58.8 | -179.8 | 0 | 0 | 0 | 106.6 | T63 V75 E76 I77 | T63-I65 HydrophobicContact CG2-CG1 4.26Å; I65-V75 HydrophobicContact CG2-CG1 3.13Å; I65-E76 CarbonylContact C-O 3.54Å; I65-E76 WeakPolarHBondContact CA-O 3.46Å; I65-I77 HydrophobicContact CG1-CG1 4.42Å; I65-I77 HydrophobicContact CG1-CG2 4.49Å |
| 66 | S | 51.8 | Low | 49.6 | Very low | 40 Ų | 40 | 106.4 Ų | 106.4 | 28% | 0.28 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.9 | 141 | 179 | 40.1 | 0 | 0 | 0 | 0 | 110.3 | V75 E76 | S66-V75 CarbonylContact O-C 3.56Å; S66-V75 WeakPolarHBondContact O-CA 3.22Å; S66-E76 PolarHBondContact N-O 3.27Å; S66-E76 PolarHBondContact O-N 2.99Å |
| 67 | R | 49.8 | Very low | 50.2 | Low | 178 Ų | 178 | 106.3 Ų | 106.3 | 67% | 0.672 | 57% | 0.565 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -79.7 | 138.6 | 166.5 | -75.9 | -175.1 | 177.9 | -173.9 | -2.4 | 108.8 | V75 | R67-V75 HydrophobicContact CG-CG2 4.36Å |
| 68 | R | 59 | Low | 50.7 | Low | 140 Ų | 140 | 107.2 Ų | 107.2 | 53% | 0.528 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -69 | 129.6 | 176 | -164.4 | 178.2 | -170.3 | 177 | 3.2 | 109.3 | G70 S71 E74 | R68-G70 PolarHBondContact O-N 3.21Å; R68-S71 PolarHBondContact O-N 3.13Å; R68-S71 VanDerWaalsContact O-N 3.12Å; R68-E74 HydrophobicContact CB-CB 4.24Å; R68-E74 VanDerWaalsContact CD-OE2 3.23Å; R68-E74 WeakPolarHBondContact CD-OE2 3.49Å; R68-E74 IonicContact CZ-OE2 3.83Å; R68-E74 PolarHBondContact N-O 3.21Å; R68-E74 VanDerWaalsContact N-O 3.11Å; R68-E74 IonicContact NE-OE2 3.97Å; R68-E74 IonicContact NH1-OE2 2.87Å; R68-E74 PolarHBondContact NH1-OE2 3.46Å |
| 69 | P | 54.8 | Low | 51.2 | Low | 127 Ų | 127 | 106.4 Ų | 106.4 | 83% | 0.825 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.7 | 129.7 | 175.2 | -21.5 | 30.8 | 0 | 0 | 0 | 110.4 | | |
| 70 | G | 65.4 | Low | 51.5 | Low | 97 Ų | 97 | 105.3 Ų | 105.3 | 100% | 1 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | -0.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | R68 | R68-G70 PolarHBondContact O-N 3.21Š|
| 71 | S | 49.9 | Very low | 51.9 | Low | 35 Ų | 35 | 106 Ų | 106 | 25% | 0.245 | 55% | 0.551 | C | S | . | * | | | trans | -119.7 | 126.1 | 175.5 | 178.3 | 0 | 0 | 0 | 0 | 111.4 | R68 E73 E74 | R68-S71 PolarHBondContact O-N 3.13Å; R68-S71 VanDerWaalsContact O-N 3.12Å; S71-E73 VanDerWaalsContact C-N 3.33Å; S71-E73 PolarHBondContact OG-N 3.04Å; S71-E74 VanDerWaalsContact OG-CB 3.27Å; S71-E74 WeakPolarHBondContact OG-CB 3.23Å; S71-E74 WeakPolarHBondContact OG-CG 3.43Å; S71-E74 PolarHBondContact OG-N 2.62Å |
| 72 | L | 58.8 | Low | 51.9 | Low | 156 Ų | 156 | 108.9 Ų | 108.9 | 82% | 0.817 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -77.1 | -21.1 | 174.6 | -97.5 | 158.9 | 0 | 0 | 0 | 112.7 | | |
| 73 | E | 57.7 | Low | 51.9 | Low | 182 Ų | 182 | 109.8 Ų | 109.8 | 85% | 0.85 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -115.7 | -22.9 | -168.6 | -66.8 | -176.6 | 172.5 | 0 | 0 | 113.6 | S71 | S71-E73 VanDerWaalsContact C-N 3.33Å; S71-E73 PolarHBondContact OG-N 3.04Å |
| 74 | E | 49.2 | Very low | 51.7 | Low | 99 Ų | 99 | 110.6 Ų | 110.6 | 46% | 0.463 | 57% | 0.57 | S | S | . | * | | | trans | -86.9 | 124.6 | -178.8 | -66.2 | -175.1 | 174.5 | 0 | 0 | 112.2 | R68 S71 | R68-E74 HydrophobicContact CB-CB 4.24Å; R68-E74 VanDerWaalsContact CD-OE2 3.23Å; R68-E74 WeakPolarHBondContact CD-OE2 3.49Å; R68-E74 IonicContact CZ-OE2 3.83Å; R68-E74 PolarHBondContact N-O 3.21Å; R68-E74 VanDerWaalsContact N-O 3.11Å; R68-E74 IonicContact NE-OE2 3.97Å; R68-E74 IonicContact NH1-OE2 2.87Å; R68-E74 PolarHBondContact NH1-OE2 3.46Å; S71-E74 VanDerWaalsContact OG-CB 3.27Å; S71-E74 WeakPolarHBondContact OG-CB 3.23Å; S71-E74 WeakPolarHBondContact OG-CG 3.43Å; S71-E74 PolarHBondContact OG-N 2.62Å |
| 75 | V | 49.6 | Very low | 51.3 | Low | 75 Ų | 75 | 111.8 Ų | 111.8 | 46% | 0.455 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.9 | 124.2 | 175.9 | -178 | 0 | 0 | 0 | 0 | 108.4 | I65 S66 R67 I77 | I65-V75 HydrophobicContact CG2-CG1 3.13Å; S66-V75 CarbonylContact O-C 3.56Å; S66-V75 WeakPolarHBondContact O-CA 3.22Å; R67-V75 HydrophobicContact CG-CG2 4.36Å; V75-I77 HydrophobicContact CG1-CG1 4.47Å |
| 76 | E | 53.9 | Low | 50.8 | Low | 94 Ų | 94 | 110.7 Ų | 110.7 | 44% | 0.439 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.4 | 131.4 | 175.1 | -162.7 | 170 | -169.9 | 0 | 0 | 109.4 | I65 S66 H78 | I65-E76 CarbonylContact C-O 3.54Å; I65-E76 WeakPolarHBondContact CA-O 3.46Å; S66-E76 PolarHBondContact N-O 3.27Å; S66-E76 PolarHBondContact O-N 2.99Å; E76-H78 VanDerWaalsContact CD-CE1 3.5Å; E76-H78 VanDerWaalsContact CD-NE2 3.33Å; E76-H78 IonicContact OE1-CE1 3.2Å; E76-H78 PolarHBondContact OE1-CE1 3.34Å; E76-H78 IonicContact OE1-NE2 3.5Å; E76-H78 PolarHBondContact OE1-NE2 2.98Å; E76-H78 IonicContact OE2-NE2 3.78Å |
| 77 | I | 54.7 | Low | 50.3 | Low | 111 Ų | 111 | 117.2 Ų | 117.2 | 57% | 0.569 | 61% | 0.606 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -117.3 | 110.8 | -177.8 | -56 | 176 | 0 | 0 | 0 | 107.9 | T63 V64 I65 V75 | T63-I77 HydrophobicContact CG2-CG2 3.55Å; V64-I77 WeakPolarHBondContact O-CA 3.44Å; I65-I77 HydrophobicContact CG1-CG1 4.42Å; I65-I77 HydrophobicContact CG1-CG2 4.49Å; V75-I77 HydrophobicContact CG1-CG1 4.47Å |
| 78 | H | 48.4 | Very low | 50 | Low | 64 Ų | 64 | 116.8 Ų | 116.8 | 30% | 0.296 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.4 | 113.1 | 173.8 | -61.4 | -70.4 | 0 | 0 | 0 | 109.8 | T63 V64 E76 Y80 | T63-H78 WeakPolarHBondContact CA-O 3.27Å; V64-H78 HydrophobicContact CB-CB 4.5Å; V64-H78 PolarHBondContact N-O 3.35Å; V64-H78 PolarHBondContact O-N 3.35Å; E76-H78 VanDerWaalsContact CD-CE1 3.5Å; E76-H78 VanDerWaalsContact CD-NE2 3.33Å; E76-H78 IonicContact OE1-CE1 3.2Å; E76-H78 PolarHBondContact OE1-CE1 3.34Å; E76-H78 IonicContact OE1-NE2 3.5Å; E76-H78 PolarHBondContact OE1-NE2 2.98Å; E76-H78 IonicContact OE2-NE2 3.78Å; H78-Y80 HydrophobicContact CB-CD2 4.3Å; H78-Y80 HydrophobicContact CB-CE2 3.58Å |
| 79 | E | 50.9 | Low | 49.1 | Very low | 126 Ų | 126 | 116.1 Ų | 116.1 | 59% | 0.589 | 62% | 0.618 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.9 | 107.2 | 173.1 | -166.5 | -173.8 | 152.1 | 0 | 0 | 109.8 | Q81 | E79-Q81 PolarHBondContact OE1-NE2 3.09Å |
| 80 | Y | 46.6 | Very low | 48.2 | Very low | 128 Ų | 128 | 116.1 Ų | 116.1 | 50% | 0.502 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.9 | 105.8 | 174.4 | -61.4 | -83.8 | 0 | 0 | 0 | 109.3 | G61 R62 V64 H78 H82 | G61-Y80 CarbonylContact C-O 3.6Å; G61-Y80 VanDerWaalsContact CA-O 3.26Å; G61-Y80 WeakPolarHBondContact CA-O 3.28Å; R62-Y80 PolarHBondContact N-O 3.4Å; R62-Y80 PolarHBondContact O-N 3.12Å; V64-Y80 HydrophobicContact CB-CE2 4.39Å; V64-Y80 HydrophobicContact CG2-CD2 4.22Å; V64-Y80 HydrophobicContact CG2-CE2 3.99Å; H78-Y80 HydrophobicContact CB-CD2 4.3Å; H78-Y80 HydrophobicContact CB-CE2 3.58Å; Y80-H82 PolarHBondContact O-N 3.25Å |
| 81 | Q | 50.7 | Low | 46.9 | Very low | 127 Ų | 127 | 122.4 Ų | 122.4 | 59% | 0.593 | 60% | 0.604 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.1 | 104.9 | 169.7 | -69.6 | -178.3 | 6 | 0 | 0 | 109.3 | E79 Q83 | E79-Q81 PolarHBondContact OE1-NE2 3.09Å; Q81-Q83 PolarHBondContact O-N 3.1Å; Q81-Q83 VanDerWaalsContact O-N 3.08Å |
| 82 | H | 42.5 | Very low | 46.2 | Very low | 101 Ų | 101 | 125 Ų | 125 | 47% | 0.468 | 63% | 0.627 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -69.9 | 106.4 | 165 | -74.2 | -83.8 | 0 | 0 | 0 | 108.4 | F60 Y80 | F60-H82 HydrophobicContact CB-CB 4.18Å; F60-H82 VanDerWaalsContact O-CB 3.31Å; F60-H82 WeakPolarHBondContact O-CB 3.26Å; F60-H82 PolarHBondContact O-CD2 3.47Å; F60-H82 PolarHBondContact O-N 2.94Å; F60-H82 VanDerWaalsContact O-N 3.13Å; Y80-H82 PolarHBondContact O-N 3.25Å |
| 83 | Q | 44.7 | Very low | 45.1 | Very low | 175 Ų | 175 | 121.8 Ų | 121.8 | 82% | 0.818 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 128.4 | 158.4 | -73.7 | -163 | -7.6 | 0 | 0 | 107.6 | Q81 S85 | Q81-Q83 PolarHBondContact O-N 3.1Å; Q81-Q83 VanDerWaalsContact O-N 3.08Å; Q83-S85 PolarHBondContact O-N 3.06Å; Q83-S85 VanDerWaalsContact O-N 3.12Å |
| 84 | P | 43.2 | Very low | 43.9 | Very low | 100 Ų | 100 | 116.8 Ų | 116.8 | 65% | 0.649 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 123.8 | 173.4 | 21.8 | -30.6 | 0 | 0 | 0 | 108.1 | S86 | P84-S86 PolarHBondContact O-N 3.1Š|
| 85 | S | 41.7 | Very low | 42.9 | Very low | 81 Ų | 81 | 117 Ų | 117 | 57% | 0.566 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 127.1 | -179.6 | 88.4 | 0 | 0 | 0 | 0 | 108.3 | Q83 K87 E88 | Q83-S85 PolarHBondContact O-N 3.06Å; Q83-S85 VanDerWaalsContact O-N 3.12Å; S85-K87 PolarHBondContact O-N 3.37Å; S85-E88 PolarHBondContact O-N 3.02Å |
| 86 | S | 44.4 | Very low | 42.3 | Very low | 89 Ų | 89 | 119.5 Ų | 119.5 | 62% | 0.622 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -2.7 | -176.8 | 50.9 | 0 | 0 | 0 | 0 | 114.3 | P84 | P84-S86 PolarHBondContact O-N 3.1Š|
| 87 | K | 40.7 | Very low | 41.3 | Very low | 176 Ų | 176 | 120.4 Ų | 120.4 | 77% | 0.765 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -28.5 | 179.8 | -75 | -175.3 | 176 | 179.2 | 0 | 113.7 | S85 | S85-K87 PolarHBondContact O-N 3.37Š|
| 88 | E | 42.4 | Very low | 40.1 | Very low | 169 Ų | 169 | 125.2 Ų | 125.2 | 79% | 0.79 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -81.1 | -24.4 | 178.7 | -85.4 | -176.3 | 158.5 | 0 | 0 | 113.8 | S85 I90 | S85-E88 PolarHBondContact O-N 3.02Å; E88-I90 PolarHBondContact O-N 3.5Å |
| 89 | L | 40.4 | Very low | 39.1 | Very low | 126 Ų | 126 | 125 Ų | 125 | 66% | 0.66 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -17.2 | 177.4 | -87.6 | 159.7 | 0 | 0 | 0 | 113.7 | | |
| 90 | I | 37.1 | Very low | 38 | Very low | 127 Ų | 127 | 124.1 Ų | 124.1 | 65% | 0.651 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -17.7 | -176.8 | -58.6 | 173.8 | 0 | 0 | 0 | 112.3 | E88 | E88-I90 PolarHBondContact O-N 3.5Š|
| 91 | R | 37.9 | Very low | 37.2 | Very low | 230 Ų | 230 | 123.8 Ų | 123.8 | 87% | 0.868 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -23.7 | 178.5 | -90.1 | -173.7 | -174.2 | 169.9 | 2.9 | 114.8 | A93 | R91-A93 VanDerWaalsContact C-N 3.33Å; R91-A93 PolarHBondContact O-N 3.2Å |
| 92 | A | 35 | Very low | 36.3 | Very low | 90 Ų | 90 | 127.2 Ų | 127.2 | 74% | 0.744 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -19.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 93 | A | 35.2 | Very low | 35.6 | Very low | 88 Ų | 88 | 128.5 Ų | 128.5 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -2.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | R91 S95 | R91-A93 VanDerWaalsContact C-N 3.33Å; R91-A93 PolarHBondContact O-N 3.2Å; A93-S95 PolarHBondContact O-N 2.96Å |
| 94 | A | 32.7 | Very low | 34.9 | Very low | 77 Ų | 77 | 124.1 Ų | 124.1 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | | | trans | -97.1 | 50.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 95 | S | 29.2 | Very low | 34.3 | Very low | 103 Ų | 103 | 125 Ų | 125 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | | | trans | -106 | 104.4 | 159.2 | -71 | 0 | 0 | 0 | 0 | 107.3 | A93 S97 | A93-S95 PolarHBondContact O-N 2.96Å; S95-S97 PolarHBondContact O-N 3.35Å |
| 96 | P | 35.2 | Very low | 33.8 | Very low | 128 Ų | 128 | 130.2 Ų | 130.2 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | | | trans | -71.9 | 94.8 | -172.7 | 28.4 | -33 | 0 | 0 | 0 | 110.2 | K98 | P96-K98 PolarHBondContact O-N 3.48Š|
| 97 | S | 33.2 | Very low | 33.2 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | | | trans | -73.9 | 109.9 | 158 | 59 | 0 | 0 | 0 | 0 | 107.8 | S95 G99 | S95-S97 PolarHBondContact O-N 3.35Å; S97-G99 PolarHBondContact O-N 3.42Å |
| 98 | K | 30.2 | Very low | 32.6 | Very low | 213 Ų | 213 | 133.8 Ų | 133.8 | 93% | 0.926 | 77% | 0.771 | S | S | * | * | | | trans | -54 | 108.3 | 164.4 | -72.8 | 175.1 | 174.6 | 176.3 | 0 | 107.9 | P96 | P96-K98 PolarHBondContact O-N 3.48Š|
| 99 | G | 28.1 | Very low | 32.1 | Very low | 59 Ų | 59 | 134.6 Ų | 134.6 | 61% | 0.608 | 77% | 0.772 | S | S | * | * | | | trans | -175.7 | 88.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S97 | S97-G99 PolarHBondContact O-N 3.42Š|
| 100 | S | 27.6 | Very low | 31.5 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | trans | 48.9 | 109.8 | 153.2 | 68.1 | 0 | 0 | 0 | 0 | 119.2 | K102 | S100-K102 PolarHBondContact O-N 3.49Å; S100-K102 VanDerWaalsContact O-N 3.13Å |
| 101 | S | 28.7 | Very low | 31.1 | Very low | 120 Ų | 120 | 142.2 Ų | 142.2 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | | | trans | -20 | 103.7 | 147.2 | 54.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 102 | K | 31.6 | Very low | 30.6 | Very low | 199 Ų | 199 | 140 Ų | 140 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | | | trans | -129.5 | 100 | 146.1 | -82.7 | -173.9 | 178.4 | 176.7 | 0 | 107.6 | S100 A104 | S100-K102 PolarHBondContact O-N 3.49Å; S100-K102 VanDerWaalsContact O-N 3.13Å; K102-A104 PolarHBondContact O-N 3.41Å |
| 103 | S | 28.9 | Very low | 30.3 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | | | trans | -58.4 | 97 | 171.8 | 52.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 104 | A | 29.5 | Very low | 29.9 | Very low | 84 Ų | 84 | 145.9 Ų | 145.9 | 69% | 0.694 | 80% | 0.798 | S | S | * | * | | | trans | -101.7 | 128.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | K102 Q106 | K102-A104 PolarHBondContact O-N 3.41Å; A104-Q106 PolarHBondContact O-N 3.16Å |
| 105 | P | 30.7 | Very low | 29.7 | Very low | 118 Ų | 118 | 147.8 Ų | 147.8 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | | | trans | -69.4 | 123.6 | -169.2 | 26.6 | -32.5 | 0 | 0 | 0 | 111.3 | V107 | P105-V107 PolarHBondContact O-N 3.49Š|
| 106 | Q | 31 | Very low | 29.5 | Very low | 190 Ų | 190 | 146 Ų | 146 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | | | trans | -63.9 | 100.5 | 170.1 | -78.7 | -178.9 | -23.7 | 0 | 0 | 109.8 | A104 R108 | A104-Q106 PolarHBondContact O-N 3.16Å; Q106-R108 VanDerWaalsContact C-N 3.29Å; Q106-R108 PolarHBondContact O-N 3.44Å |
| 107 | V | 32.1 | Very low | 29.1 | Very low | 115 Ų | 115 | 148.3 Ų | 148.3 | 70% | 0.697 | 80% | 0.8 | S | S | * | * | | | trans | -75.7 | 85.9 | 169.3 | -174.9 | 0 | 0 | 0 | 0 | 108.2 | P105 K109 | P105-V107 PolarHBondContact O-N 3.49Å; V107-K109 VanDerWaalsContact C-N 3.35Å; V107-K109 HydrophobicContact CG1-CG 4.14Å; V107-K109 PolarHBondContact O-N 2.87Å |
| 108 | R | 28.8 | Very low | 28.8 | Very low | 225 Ų | 225 | 149 Ų | 149 | 85% | 0.849 | 81% | 0.805 | S | S | * | * | | | trans | -68.9 | 85.5 | 175.1 | -166.5 | 178.6 | -171.7 | 171.7 | 1.5 | 109.4 | Q106 Q110 | Q106-R108 VanDerWaalsContact C-N 3.29Å; Q106-R108 PolarHBondContact O-N 3.44Å; R108-Q110 VanDerWaalsContact C-N 3.32Å; R108-Q110 PolarHBondContact O-N 3.02Å |
| 109 | K | 30.8 | Very low | 28.6 | Very low | 186 Ų | 186 | 142.3 Ų | 142.3 | 81% | 0.809 | 80% | 0.796 | S | S | * | * | | | trans | -77.4 | 84.9 | 170.4 | -77.1 | -178.4 | 175.1 | 175.3 | 0 | 109.8 | V107 R111 | V107-K109 VanDerWaalsContact C-N 3.35Å; V107-K109 HydrophobicContact CG1-CG 4.14Å; V107-K109 PolarHBondContact O-N 2.87Å; K109-R111 PolarHBondContact O-N 3.4Å |
| 110 | Q | 27.8 | Very low | 28.5 | Very low | 172 Ų | 172 | 144 Ų | 144 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | -69.6 | 98.9 | 165.5 | -170.9 | 176.1 | 2.8 | 0 | 0 | 107.9 | R108 | R108-Q110 VanDerWaalsContact C-N 3.32Å; R108-Q110 PolarHBondContact O-N 3.02Å |
| 111 | R | 29.2 | Very low | 28.3 | Very low | 241 Ų | 241 | 142.5 Ų | 142.5 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | | | trans | -91.8 | 119.8 | 170.6 | -100.9 | -176.1 | 165.6 | -135 | -3 | 109.1 | K109 | K109-R111 PolarHBondContact O-N 3.4Š|
| 112 | Q | 27 | Very low | 28.4 | Very low | 184 Ų | 184 | 145.2 Ų | 145.2 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | | | trans | -50.5 | 129.2 | 179.5 | -77.7 | 162.5 | -37.1 | 0 | 0 | 112 | M114 | Q112-M114 PolarHBondContact O-N 3.23Š|
| 113 | V | 29.7 | Very low | 28 | Very low | 127 Ų | 127 | 140.7 Ų | 140.7 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | | | trans | -70.1 | 105.5 | 161.2 | 177 | 0 | 0 | 0 | 0 | 106.1 | T115 | V113-T115 PolarHBondContact O-N 3.46Š|
| 114 | M | 25.9 | Very low | 27.9 | Very low | 175 Ų | 175 | 144.8 Ų | 144.8 | 86% | 0.862 | 80% | 0.8 | S | S | * | * | | | trans | -71.3 | 97.4 | 168.6 | -82 | -168.7 | 66.8 | 0 | 0 | 108.4 | Q112 G116 | Q112-M114 PolarHBondContact O-N 3.23Å; M114-G116 VanDerWaalsContact C-N 3.29Å; M114-G116 PolarHBondContact O-N 2.72Å; M114-G116 VanDerWaalsContact O-N 3.09Å |
| 115 | T | 28.2 | Very low | 27.8 | Very low | 116 Ų | 116 | 147.8 Ų | 147.8 | 71% | 0.712 | 81% | 0.809 | S | S | * | * | | | trans | -71.5 | 87.8 | 160.8 | 20.4 | 0 | 0 | 0 | 0 | 107.6 | V113 | V113-T115 PolarHBondContact O-N 3.46Š|
| 116 | G | 26.5 | Very low | 27.8 | Very low | 67 Ų | 67 | 146.3 Ų | 146.3 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | | | trans | -75.9 | 127.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | M114 | M114-G116 VanDerWaalsContact C-N 3.29Å; M114-G116 PolarHBondContact O-N 2.72Å; M114-G116 VanDerWaalsContact O-N 3.09Å |
| 117 | H | 26.3 | Very low | 27.8 | Very low | 175 Ų | 175 | 141.9 Ų | 141.9 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | | | trans | -65.9 | 144.6 | -168.8 | -59.5 | -44 | 0 | 0 | 0 | 115.3 | G119 | H117-G119 PolarHBondContact O-N 2.85Š|
| 118 | S | 25.3 | Very low | 27.9 | Very low | 128 Ų | 128 | 147.5 Ų | 147.5 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | | | trans | -61.3 | 90.5 | 158 | 35.3 | 0 | 0 | 0 | 0 | 109.9 | A120 | S118-A120 PolarHBondContact O-N 2.99Š|
| 119 | G | 26.3 | Very low | 28.2 | Very low | 72 Ų | 72 | 140.5 Ų | 140.5 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | | | trans | -79.5 | 109.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | H117 | H117-G119 PolarHBondContact O-N 2.85Š|
| 120 | A | 27.2 | Very low | 28.2 | Very low | 95 Ų | 95 | 137.7 Ų | 137.7 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | trans | -53.3 | 153.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S118 | S118-A120 PolarHBondContact O-N 2.99Š|
| 121 | G | 23.9 | Very low | 28.4 | Very low | 76 Ų | 76 | 133.7 Ų | 133.7 | 78% | 0.784 | 77% | 0.768 | S | S | * | * | | | trans | -52.5 | 137.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 122 | L | 29 | Very low | 28.5 | Very low | 176 Ų | 176 | 129.5 Ų | 129.5 | 92% | 0.921 | 76% | 0.758 | S | S | * | * | | | trans | -128.2 | 98.3 | 158.5 | -75.2 | 171.6 | 0 | 0 | 0 | 108.2 | | |
| 123 | S | 23.5 | Very low | 28.8 | Very low | 105 Ų | 105 | 124.7 Ų | 124.7 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | | | trans | -59.7 | 150.4 | 155.6 | 174.9 | 0 | 0 | 0 | 0 | 110 | | |
| 124 | R | 27 | Very low | 29.1 | Very low | 214 Ų | 214 | 127 Ų | 127 | 81% | 0.808 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 96.6 | 94.8 | 166.5 | -59.3 | -178.7 | 175.5 | -177.2 | -2.4 | 117.6 | S126 | R124-S126 PolarHBondContact O-N 3.3Š|
| 125 | T | 27.8 | Very low | 29.5 | Very low | 146 Ų | 146 | 123.6 Ų | 123.6 | 90% | 0.896 | 74% | 0.737 | S | S | * | * | | | | 44.6 | 76.1 | 126.8 | 62.7 | 0 | 0 | 0 | 0 | 116.5 | | |
| 126 | S | 29.8 | Very low | 29.6 | Very low | 87 Ų | 87 | 121.5 Ų | 121.5 | 61% | 0.608 | 74% | 0.738 | S | S | * | * | | | trans | -122.9 | 136.9 | 157.5 | 50.2 | 0 | 0 | 0 | 0 | 110.4 | R124 | R124-S126 PolarHBondContact O-N 3.3Š|
| 127 | S | 32.7 | Very low | 30.2 | Very low | 97 Ų | 97 | 125.2 Ų | 125.2 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | | | trans | -58.4 | 150.2 | -166.7 | 43.3 | 0 | 0 | 0 | 0 | 115 | A129 E130 | S127-A129 PolarHBondContact O-N 3.34Å; S127-E130 PolarHBondContact O-N 3.18Å |
| 128 | R | 33.7 | Very low | 30.8 | Very low | 234 Ų | 234 | 121.3 Ų | 121.3 | 88% | 0.883 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -33.5 | -12.1 | 177.8 | -167.5 | 171.8 | 178.7 | 164.7 | -0.4 | 119.1 | | |
| 129 | A | 34.2 | Very low | 31.3 | Very low | 78 Ų | 78 | 117.4 Ų | 117.4 | 65% | 0.645 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -24.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | S127 | S127-A129 PolarHBondContact O-N 3.34Š|
| 130 | E | 31.8 | Very low | 31.8 | Very low | 127 Ų | 127 | 123 Ų | 123 | 59% | 0.593 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -86.9 | -18.2 | -178.1 | -77.7 | -175 | 151 | 0 | 0 | 114.3 | S127 E132 A133 Q134 | S127-E130 PolarHBondContact O-N 3.18Å; E130-E132 VanDerWaalsContact C-N 3.25Å; E130-E132 PolarHBondContact O-N 2.85Å; E130-A133 PolarHBondContact O-N 3.08Å; E130-Q134 PolarHBondContact O-N 3.24Å |
| 131 | V | 32.4 | Very low | 32.5 | Very low | 88 Ų | 88 | 125.2 Ų | 125.2 | 53% | 0.533 | 72% | 0.721 | S | S | . | * | H | α-helix | trans | -69.1 | -27.4 | 178.4 | -176.9 | 0 | 0 | 0 | 0 | 111.4 | A133 Q134 L135 | V131-A133 VanDerWaalsContact C-N 3.29Å; V131-A133 PolarHBondContact O-N 3.06Å; V131-Q134 PolarHBondContact O-N 3.26Å; V131-L135 PolarHBondContact O-N 2.91Å |
| 132 | E | 30.7 | Very low | 33.1 | Very low | 153 Ų | 153 | 130.5 Ų | 130.5 | 72% | 0.715 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -74.1 | -16.3 | 175.3 | -75.1 | -172.4 | 166.8 | 0 | 0 | 113.8 | E130 | E130-E132 VanDerWaalsContact C-N 3.25Å; E130-E132 PolarHBondContact O-N 2.85Å |
| 133 | A | 32.9 | Very low | 33.4 | Very low | 82 Ų | 82 | 124 Ų | 124 | 68% | 0.678 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -86.9 | -27.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E130 V131 | E130-A133 PolarHBondContact O-N 3.08Å; V131-A133 VanDerWaalsContact C-N 3.29Å; V131-A133 PolarHBondContact O-N 3.06Å |
| 134 | Q | 35.6 | Very low | 34.3 | Very low | 177 Ų | 177 | 123.8 Ų | 123.8 | 83% | 0.827 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -81.3 | -25.8 | 178.1 | -73.7 | -167.4 | -7.6 | 0 | 0 | 113.4 | E130 V131 | E130-Q134 PolarHBondContact O-N 3.24Å; V131-Q134 PolarHBondContact O-N 3.26Å |
| 135 | L | 35.1 | Very low | 35.2 | Very low | 103 Ų | 103 | 123.9 Ų | 123.9 | 54% | 0.539 | 70% | 0.7 | S | S | . | * | S | Bend | trans | -89.1 | 104 | 163.3 | -66.8 | 166.9 | 0 | 0 | 0 | 106.1 | V131 L137 | V131-L135 PolarHBondContact O-N 2.91Å; L135-L137 HydrophobicContact CB-CD1 4.08Å; L135-L137 HydrophobicContact CB-CG 4.38Å; L135-L137 PolarHBondContact O-N 2.96Å |
| 136 | G | 29.3 | Very low | 36 | Very low | 72 Ų | 72 | 122.8 Ų | 122.8 | 74% | 0.742 | 69% | 0.685 | S | S | * | * | | | trans | -61.2 | 42.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | A138 | G136-A138 VanDerWaalsContact C-N 3.31Š|
| 137 | L | 40.5 | Very low | 36.6 | Very low | 145 Ų | 145 | 129.4 Ų | 129.4 | 76% | 0.759 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -11.7 | 177 | -71.1 | 167 | 0 | 0 | 0 | 112.4 | L135 G139 | L135-L137 HydrophobicContact CB-CD1 4.08Å; L135-L137 HydrophobicContact CB-CG 4.38Å; L135-L137 PolarHBondContact O-N 2.96Å; L137-G139 PolarHBondContact O-N 3.17Å |
| 138 | A | 37.9 | Very low | 37.3 | Very low | 93 Ų | 93 | 133.7 Ų | 133.7 | 77% | 0.769 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | 2.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G136 K140 | G136-A138 VanDerWaalsContact C-N 3.31Å; A138-K140 PolarHBondContact O-N 3.07Å |
| 139 | G | 35.3 | Very low | 38.1 | Very low | 46 Ų | 46 | 125.4 Ų | 125.4 | 47% | 0.474 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -71.1 | 98 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | L137 L141 | L137-G139 PolarHBondContact O-N 3.17Å; G139-L141 PolarHBondContact O-N 3.14Å |
| 140 | K | 37.2 | Very low | 38.7 | Very low | 190 Ų | 190 | 128 Ų | 128 | 83% | 0.826 | 68% | 0.678 | S | S | * | * | | | trans | -31.9 | 105 | 163 | -82.4 | 174.6 | 173.9 | 174.1 | 0 | 109.2 | A138 Q142 | A138-K140 PolarHBondContact O-N 3.07Å; K140-Q142 PolarHBondContact O-N 3.28Å |
| 141 | L | 43.2 | Very low | 39.5 | Very low | 140 Ų | 140 | 125.4 Ų | 125.4 | 73% | 0.733 | 68% | 0.679 | S | S | * | * | | | trans | -72.8 | 64.6 | 178.4 | -76.2 | 166.2 | 0 | 0 | 0 | 109.2 | G139 G143 | G139-L141 PolarHBondContact O-N 3.14Å; L141-G143 PolarHBondContact O-N 3.39Å |
| 142 | Q | 35.8 | Very low | 40.2 | Very low | 187 Ų | 187 | 124.3 Ų | 124.3 | 87% | 0.874 | 68% | 0.675 | S | S | * | * | | | trans | -78.9 | 68.8 | 170.9 | -164.2 | 171.6 | -5.6 | 0 | 0 | 107.1 | K140 | K140-Q142 PolarHBondContact O-N 3.28Š|
| 143 | G | 35.7 | Very low | 41 | Very low | 41 Ų | 41 | 121.2 Ų | 121.2 | 42% | 0.423 | 66% | 0.663 | S | S | . | * | | | trans | -149 | 94.9 | -175 | 0 | 0 | 0 | 0 | 0 | 110.9 | L141 R145 Q146 | L141-G143 PolarHBondContact O-N 3.39Å; G143-R145 PolarHBondContact O-N 2.93Å; G143-Q146 PolarHBondContact O-N 3.12Å |
| 144 | S | 42.9 | Very low | 41.9 | Very low | 99 Ų | 99 | 119.1 Ų | 119.1 | 69% | 0.692 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53 | 1.8 | 171.8 | 54.5 | 0 | 0 | 0 | 0 | 115.6 | | |
| 145 | R | 44 | Very low | 42.6 | Very low | 217 Ų | 217 | 113.5 Ų | 113.5 | 82% | 0.819 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -26 | 174.9 | -71.4 | -172.8 | 175.5 | -137.7 | -0.4 | 113.5 | G143 | G143-R145 PolarHBondContact O-N 2.93Š|
| 146 | Q | 45.7 | Very low | 43.3 | Very low | 123 Ų | 123 | 111 Ų | 111 | 58% | 0.575 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -83.5 | -30.4 | -175.1 | -130.7 | 169.4 | -4.3 | 0 | 0 | 113.8 | G143 R148 S149 | G143-Q146 PolarHBondContact O-N 3.12Å; Q146-R148 PolarHBondContact O-N 3.11Å; Q146-S149 WeakPolarHBondContact O-CB 3.31Å; Q146-S149 PolarHBondContact O-N 2.74Å; Q146-S149 VanDerWaalsContact O-N 3.08Å |
| 147 | R | 42.3 | Very low | 44.3 | Very low | 226 Ų | 226 | 112.8 Ų | 112.8 | 85% | 0.853 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -62.6 | -25.2 | 177.4 | -72.7 | -169.4 | 174.3 | -133.3 | -0.5 | 113.6 | | |
| 148 | R | 47.6 | Very low | 44.8 | Very low | 186 Ų | 186 | 112.8 Ų | 112.8 | 70% | 0.702 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -75.9 | -21.5 | 176.8 | -75.9 | -171.2 | -90.6 | -175.3 | -6.9 | 113.7 | Q146 | Q146-R148 PolarHBondContact O-N 3.11Å |
| 149 | S | 50.1 | Low | 45.6 | Very low | 60 Ų | 60 | 116.7 Ų | 116.7 | 42% | 0.42 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -69.4 | -46.1 | 179.8 | -178.5 | 0 | 0 | 0 | 0 | 111.8 | Q146 A151 S152 L153 | Q146-S149 WeakPolarHBondContact O-CB 3.31Å; Q146-S149 PolarHBondContact O-N 2.74Å; Q146-S149 VanDerWaalsContact O-N 3.08Å; S149-A151 PolarHBondContact O-N 3.01Å; S149-S152 PolarHBondContact O-N 2.83Å; S149-S152 PolarHBondContact O-OG 3.37Å; S149-L153 PolarHBondContact O-N 3.12Å |
| 150 | L | 47.6 | Very low | 46.3 | Very low | 132 Ų | 132 | 119.7 Ų | 119.7 | 69% | 0.691 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.5 | -39.3 | -175.2 | -69.4 | 173.1 | 0 | 0 | 0 | 113.6 | S152 L153 G154 | L150-S152 VanDerWaalsContact C-N 3.3Å; L150-S152 PolarHBondContact O-N 2.92Å; L150-L153 WeakPolarHBondContact O-CB 3.5Å; L150-L153 PolarHBondContact O-N 3.38Å; L150-G154 PolarHBondContact O-N 3.15Å; L150-G154 VanDerWaalsContact O-N 3.08Å |
| 151 | A | 48.8 | Very low | 47 | Very low | 74 Ų | 74 | 113.4 Ų | 113.4 | 61% | 0.612 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.7 | -35 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S149 L153 G154 S155 | S149-A151 PolarHBondContact O-N 3.01Å; A151-L153 VanDerWaalsContact C-N 3.32Å; A151-G154 PolarHBondContact O-N 3.36Å; A151-S155 PolarHBondContact O-N 3.06Å |
| 152 | S | 47.1 | Very low | 47.5 | Very low | 64 Ų | 64 | 114.8 Ų | 114.8 | 45% | 0.448 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.1 | -35.8 | 176 | 83.1 | 0 | 0 | 0 | 0 | 112 | S149 L150 S155 S156 | S149-S152 PolarHBondContact O-N 2.83Å; S149-S152 PolarHBondContact O-OG 3.37Å; L150-S152 VanDerWaalsContact C-N 3.3Å; L150-S152 PolarHBondContact O-N 2.92Å; S152-S155 PolarHBondContact O-N 3.04Å; S152-S155 PolarHBondContact O-OG 3.34Å; S152-S156 PolarHBondContact O-N 2.75Å; S152-S156 VanDerWaalsContact O-N 3.08Å; S152-S156 PolarHBondContact O-OG 3.4Å; S152-S156 VanDerWaalsContact O-OG 3.11Å |
| 153 | L | 47.1 | Very low | 48.2 | Very low | 89 Ų | 89 | 110.3 Ų | 110.3 | 47% | 0.466 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.3 | -42.1 | 174.3 | -111.1 | 151.8 | 0 | 0 | 0 | 111.7 | S149 L150 A151 S155 S156 L157 | S149-L153 PolarHBondContact O-N 3.12Å; L150-L153 WeakPolarHBondContact O-CB 3.5Å; L150-L153 PolarHBondContact O-N 3.38Å; A151-L153 VanDerWaalsContact C-N 3.32Å; L153-S155 VanDerWaalsContact C-N 3.34Å; L153-S155 PolarHBondContact O-N 2.91Å; L153-S156 WeakPolarHBondContact CA-OG 3.46Å; L153-S156 PolarHBondContact O-N 2.95Å; L153-S156 PolarHBondContact O-OG 2.89Å; L153-L157 PolarHBondContact O-N 2.74Å |
| 154 | G | 50.2 | Low | 49.1 | Very low | 37 Ų | 37 | 111.9 Ų | 111.9 | 38% | 0.381 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -60 | -41.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L150 A151 M158 | L150-G154 PolarHBondContact O-N 3.15Å; L150-G154 VanDerWaalsContact O-N 3.08Å; A151-G154 PolarHBondContact O-N 3.36Å; G154-M158 PolarHBondContact O-N 2.96Å; G154-M158 VanDerWaalsContact O-N 3.13Å |
| 155 | S | 51.2 | Low | 49.8 | Very low | 59 Ų | 59 | 113.4 Ų | 113.4 | 41% | 0.413 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -70.3 | -31.9 | 179.3 | 76.5 | 0 | 0 | 0 | 0 | 113.8 | A151 S152 L153 R159 | A151-S155 PolarHBondContact O-N 3.06Å; S152-S155 PolarHBondContact O-N 3.04Å; S152-S155 PolarHBondContact O-OG 3.34Å; L153-S155 VanDerWaalsContact C-N 3.34Å; L153-S155 PolarHBondContact O-N 2.91Å; S155-R159 WeakPolarHBondContact O-CG 3.42Å; S155-R159 PolarHBondContact O-N 3.1Å |
| 156 | S | 49.6 | Very low | 50.1 | Low | 52 Ų | 52 | 107.7 Ų | 107.7 | 36% | 0.364 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -75.2 | -38.1 | 177 | 48.3 | 0 | 0 | 0 | 0 | 111.5 | S152 L153 R159 L160 | S152-S156 PolarHBondContact O-N 2.75Å; S152-S156 VanDerWaalsContact O-N 3.08Å; S152-S156 PolarHBondContact O-OG 3.4Å; S152-S156 VanDerWaalsContact O-OG 3.11Å; L153-S156 WeakPolarHBondContact CA-OG 3.46Å; L153-S156 PolarHBondContact O-N 2.95Å; L153-S156 PolarHBondContact O-OG 2.89Å; S156-R159 PolarHBondContact O-N 3.06Å; S156-R159 VanDerWaalsContact O-N 3.16Å; S156-L160 WeakPolarHBondContact O-CG 3.46Å; S156-L160 PolarHBondContact O-N 3.11Å |
| 157 | L | 50 | Low | 50.7 | Low | 108 Ų | 108 | 105.1 Ų | 105.1 | 57% | 0.565 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.1 | -43.3 | 171.9 | -77.8 | 166.1 | 0 | 0 | 0 | 112.5 | L153 R159 L160 A161 | L153-L157 PolarHBondContact O-N 2.74Å; L157-R159 VanDerWaalsContact C-N 3.28Å; L157-R159 PolarHBondContact O-N 3.45Å; L157-L160 PolarHBondContact O-N 3.34Å; L157-A161 PolarHBondContact O-N 3.39Å |
| 158 | M | 51.4 | Low | 51.3 | Low | 145 Ų | 145 | 100.2 Ų | 100.2 | 71% | 0.714 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.6 | -33.8 | 174 | -79.8 | -87.1 | -172.9 | 0 | 0 | 113 | G154 K162 | G154-M158 PolarHBondContact O-N 2.96Å; G154-M158 VanDerWaalsContact O-N 3.13Å; M158-K162 PolarHBondContact O-N 3.44Å |
| 159 | R | 53.7 | Low | 52.2 | Low | 176 Ų | 176 | 92.9 Ų | 92.9 | 66% | 0.664 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -72.6 | -37.9 | 174.5 | -74.4 | -179.9 | -174.1 | 171.4 | 5.3 | 112.2 | S155 S156 L157 A161 K162 I163 | S155-R159 WeakPolarHBondContact O-CG 3.42Å; S155-R159 PolarHBondContact O-N 3.1Å; S156-R159 PolarHBondContact O-N 3.06Å; S156-R159 VanDerWaalsContact O-N 3.16Å; L157-R159 VanDerWaalsContact C-N 3.28Å; L157-R159 PolarHBondContact O-N 3.45Å; R159-A161 VanDerWaalsContact C-N 3.32Å; R159-K162 PolarHBondContact O-N 2.8Å; R159-I163 WeakPolarHBondContact O-CG1 3.47Å; R159-I163 PolarHBondContact O-N 3.15Å; R159-I163 VanDerWaalsContact O-N 3.16Å |
| 160 | L | 50.2 | Low | 52.9 | Low | 108 Ų | 108 | 91 Ų | 91 | 57% | 0.565 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.4 | -37.9 | 174.4 | -72.7 | 169.3 | 0 | 0 | 0 | 111.5 | S156 L157 K162 I163 A164 | S156-L160 WeakPolarHBondContact O-CG 3.46Å; S156-L160 PolarHBondContact O-N 3.11Å; L157-L160 PolarHBondContact O-N 3.34Å; L160-K162 VanDerWaalsContact C-N 3.34Å; L160-K162 PolarHBondContact O-N 3.24Å; L160-I163 PolarHBondContact O-N 3.49Å; L160-I163 VanDerWaalsContact O-N 3.15Å; L160-A164 PolarHBondContact O-N 2.86Å; L160-A164 VanDerWaalsContact O-N 3.1Å |
| 161 | A | 52.5 | Low | 53.7 | Low | 58 Ų | 58 | 88.1 Ų | 88.1 | 48% | 0.479 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.1 | -42 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L157 R159 I163 A164 | L157-A161 PolarHBondContact O-N 3.39Å; R159-A161 VanDerWaalsContact C-N 3.32Å; A161-I163 VanDerWaalsContact C-N 3.3Å; A161-I163 PolarHBondContact O-N 2.86Å; A161-A164 WeakPolarHBondContact O-CB 3.48Å; A161-A164 PolarHBondContact O-N 2.86Å |
| 162 | K | 53.9 | Low | 54.8 | Low | 170 Ų | 170 | 91.8 Ų | 91.8 | 74% | 0.739 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.8 | -27.8 | 175.3 | -77 | -174.3 | 175.7 | -175.5 | 0 | 114.1 | M158 R159 L160 | M158-K162 PolarHBondContact O-N 3.44Å; R159-K162 PolarHBondContact O-N 2.8Å; L160-K162 VanDerWaalsContact C-N 3.34Å; L160-K162 PolarHBondContact O-N 3.24Å |
| 163 | I | 51.4 | Low | 56 | Low | 92 Ų | 92 | 95.5 Ų | 95.5 | 47% | 0.472 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -75.9 | -29.7 | 176 | -65.1 | 165.5 | 0 | 0 | 0 | 110.6 | R159 L160 A161 D165 N166 | R159-I163 WeakPolarHBondContact O-CG1 3.47Å; R159-I163 PolarHBondContact O-N 3.15Å; R159-I163 VanDerWaalsContact O-N 3.16Å; L160-I163 PolarHBondContact O-N 3.49Å; L160-I163 VanDerWaalsContact O-N 3.15Å; A161-I163 VanDerWaalsContact C-N 3.3Å; A161-I163 PolarHBondContact O-N 2.86Å; I163-D165 VanDerWaalsContact C-N 3.25Å; I163-D165 PolarHBondContact O-N 3.29Å; I163-N166 CarbonylContact O-C 3.08Å; I163-N166 PolarHBondContact O-N 2.83Å |
| 164 | A | 54.6 | Low | 57.3 | Low | 75 Ų | 75 | 98.3 Ų | 98.3 | 62% | 0.62 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.3 | -32.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L160 A161 | L160-A164 PolarHBondContact O-N 2.86Å; L160-A164 VanDerWaalsContact O-N 3.1Å; A161-A164 WeakPolarHBondContact O-CB 3.48Å; A161-A164 PolarHBondContact O-N 2.86Å |
| 165 | D | 56.3 | Low | 58.6 | Low | 130 Ų | 130 | 104 Ų | 104 | 70% | 0.695 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -22.5 | 178.1 | -69.7 | -26.6 | 0 | 0 | 0 | 113.7 | I163 | I163-D165 VanDerWaalsContact C-N 3.25Å; I163-D165 PolarHBondContact O-N 3.29Å |
| 166 | N | 51.1 | Low | 59.5 | Low | 97 Ų | 97 | 103.8 Ų | 103.8 | 52% | 0.519 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -144.5 | 81.7 | 175.8 | -95.9 | -36.3 | 0 | 0 | 0 | 109.3 | I163 R174 | I163-N166 CarbonylContact O-C 3.08Å; I163-N166 PolarHBondContact O-N 2.83Å; N166-R174 PolarHBondContact OD1-NH1 2.88Å; N166-R174 VanDerWaalsContact OD1-NH1 3.1Å |
| 167 | P | 59 | Low | 60.8 | Low | 70 Ų | 70 | 107.9 Ų | 107.9 | 46% | 0.455 | 58% | 0.577 | S | S | . | * | | | trans | -63.1 | 145.1 | 174.3 | 24.5 | -30.1 | 0 | 0 | 0 | 109.4 | G169 A170 | P167-G169 PolarHBondContact O-N 3.39Å; P167-A170 HydrophobicContact CG-CB 4.08Å; P167-A170 WeakPolarHBondContact O-CB 3.25Å; P167-A170 PolarHBondContact O-N 2.92Å |
| 168 | P | 54.7 | Low | 62.1 | Low | 123 Ų | 123 | 109.7 Ų | 109.7 | 80% | 0.799 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.9 | 128.4 | 173.1 | 21 | -30.2 | 0 | 0 | 0 | 109.7 | | |
| 169 | G | 66.5 | Low | 63.4 | Low | 32 Ų | 32 | 109.2 Ų | 109.2 | 33% | 0.33 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 99.5 | -17.1 | -175 | 0 | 0 | 0 | 0 | 0 | 115.4 | P167 A171 E172 M173 | P167-G169 PolarHBondContact O-N 3.39Å; G169-A171 VanDerWaalsContact C-N 3.28Å; G169-A171 PolarHBondContact O-N 3.38Å; G169-E172 PolarHBondContact O-N 3.08Å; G169-E172 VanDerWaalsContact O-N 3.14Å; G169-M173 WeakPolarHBondContact O-CG 3.44Å; G169-M173 PolarHBondContact O-N 3.19Å |
| 170 | A | 63.8 | Low | 64.5 | Low | 20 Ų | 20 | 110.7 Ų | 110.7 | 17% | 0.165 | 59% | 0.586 | C | S | . | * | H | α-helix | trans | -62 | -36 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | P167 M173 R174 | P167-A170 HydrophobicContact CG-CB 4.08Å; P167-A170 WeakPolarHBondContact O-CB 3.25Å; P167-A170 PolarHBondContact O-N 2.92Å; A170-M173 PolarHBondContact O-N 2.84Å; A170-R174 WeakPolarHBondContact O-CG 3.41Å; A170-R174 PolarHBondContact O-N 3.13Å |
| 171 | A | 64.3 | Low | 65.4 | Low | 72 Ų | 72 | 108.4 Ų | 108.4 | 60% | 0.595 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.7 | -38 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G169 K175 | G169-A171 VanDerWaalsContact C-N 3.28Å; G169-A171 PolarHBondContact O-N 3.38Å; A171-K175 WeakPolarHBondContact O-CB 3.18Å; A171-K175 PolarHBondContact O-N 2.97Å |
| 172 | E | 72.3 | Confident | 66.3 | Low | 150 Ų | 150 | 108.6 Ų | 108.6 | 70% | 0.701 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -68.5 | -40.9 | 176.6 | -68.7 | 179.8 | 173.2 | 0 | 0 | 111.2 | G169 K175 A176 | G169-E172 PolarHBondContact O-N 3.08Å; G169-E172 VanDerWaalsContact O-N 3.14Å; E172-K175 PolarHBondContact O-N 3.12Å; E172-A176 WeakPolarHBondContact O-CB 3.49Å; E172-A176 PolarHBondContact O-N 3.23Å |
| 173 | M | 71.5 | Confident | 66.9 | Low | 142 Ų | 142 | 103.4 Ų | 103.4 | 70% | 0.7 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.4 | -46.5 | 174.3 | -69.5 | -120.9 | -60.9 | 0 | 0 | 112 | G169 A170 K175 A176 E177 | G169-M173 WeakPolarHBondContact O-CG 3.44Å; G169-M173 PolarHBondContact O-N 3.19Å; A170-M173 PolarHBondContact O-N 2.84Å; M173-K175 VanDerWaalsContact C-N 3.28Å; M173-K175 PolarHBondContact O-N 3.13Å; M173-A176 PolarHBondContact O-N 3.04Å; M173-E177 VanDerWaalsContact O-CB 3.29Å; M173-E177 WeakPolarHBondContact O-CB 3.12Å; M173-E177 PolarHBondContact O-N 3.3Å |
| 174 | R | 74.8 | Confident | 67.5 | Low | 149 Ų | 149 | 102.1 Ų | 102.1 | 56% | 0.562 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -60.4 | -38.3 | 176.3 | -74.9 | 179.9 | -173.5 | 135.1 | 2.5 | 111.9 | N166 A170 M178 | N166-R174 PolarHBondContact OD1-NH1 2.88Å; N166-R174 VanDerWaalsContact OD1-NH1 3.1Å; A170-R174 WeakPolarHBondContact O-CG 3.41Å; A170-R174 PolarHBondContact O-N 3.13Å; R174-M178 VanDerWaalsContact O-CB 3.29Å; R174-M178 WeakPolarHBondContact O-CB 3.41Å; R174-M178 PolarHBondContact O-N 3.34Å |
| 175 | K | 77.4 | Confident | 67.7 | Low | 155 Ų | 155 | 106.9 Ų | 106.9 | 67% | 0.674 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.6 | -47.3 | 176.1 | -172.3 | 179.8 | 176.9 | -174.3 | 0 | 111.4 | A171 E172 M173 E177 M178 E179 | A171-K175 WeakPolarHBondContact O-CB 3.18Å; A171-K175 PolarHBondContact O-N 2.97Å; E172-K175 PolarHBondContact O-N 3.12Å; M173-K175 VanDerWaalsContact C-N 3.28Å; M173-K175 PolarHBondContact O-N 3.13Å; K175-E177 VanDerWaalsContact C-N 3.31Å; K175-E177 PolarHBondContact O-N 3.45Å; K175-M178 PolarHBondContact O-N 3.43Å; K175-E179 WeakPolarHBondContact O-CB 3.36Å; K175-E179 PolarHBondContact O-N 3.18Å |
| 176 | A | 71.4 | Confident | 67.9 | Low | 55 Ų | 55 | 104.9 Ų | 104.9 | 46% | 0.455 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.6 | -36.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E172 M173 R180 | E172-A176 WeakPolarHBondContact O-CB 3.49Å; E172-A176 PolarHBondContact O-N 3.23Å; M173-A176 PolarHBondContact O-N 3.04Å; A176-R180 WeakPolarHBondContact O-CB 3.37Å; A176-R180 PolarHBondContact O-N 2.84Å |
| 177 | E | 75.4 | Confident | 68.2 | Low | 139 Ų | 139 | 109.1 Ų | 109.1 | 65% | 0.65 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68.3 | -43.6 | 175.9 | -171.1 | 175 | -169.1 | 0 | 0 | 111.7 | M173 K175 E179 R180 A181 | M173-E177 VanDerWaalsContact O-CB 3.29Å; M173-E177 WeakPolarHBondContact O-CB 3.12Å; M173-E177 PolarHBondContact O-N 3.3Å; K175-E177 VanDerWaalsContact C-N 3.31Å; K175-E177 PolarHBondContact O-N 3.45Å; E177-E179 VanDerWaalsContact C-N 3.33Å; E177-E179 PolarHBondContact O-N 2.9Å; E177-R180 WeakPolarHBondContact O-CB 3.4Å; E177-R180 PolarHBondContact O-N 3.09Å; E177-A181 WeakPolarHBondContact O-CB 3.39Å; E177-A181 PolarHBondContact O-N 3.06Å |
| 178 | M | 77.6 | Confident | 67.7 | Low | 146 Ų | 146 | 108.7 Ų | 108.7 | 72% | 0.719 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.9 | -37.7 | 176.3 | -164.3 | 177.7 | -84.2 | 0 | 0 | 111.7 | R174 K175 A181 A182 | R174-M178 VanDerWaalsContact O-CB 3.29Å; R174-M178 WeakPolarHBondContact O-CB 3.41Å; R174-M178 PolarHBondContact O-N 3.34Å; K175-M178 PolarHBondContact O-N 3.43Å; M178-A181 PolarHBondContact O-N 2.73Å; M178-A182 WeakPolarHBondContact O-CB 3.36Å; M178-A182 PolarHBondContact O-N 3.02Å |
| 179 | E | 79.5 | Confident | 67.3 | Low | 134 Ų | 134 | 108.1 Ų | 108.1 | 63% | 0.626 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.4 | -40 | 174.1 | -167.6 | 170.7 | -174.2 | 0 | 0 | 111.8 | K175 E177 A182 A183 | K175-E179 WeakPolarHBondContact O-CB 3.36Å; K175-E179 PolarHBondContact O-N 3.18Å; E177-E179 VanDerWaalsContact C-N 3.33Å; E177-E179 PolarHBondContact O-N 2.9Å; E179-A182 PolarHBondContact O-N 2.77Å; E179-A183 WeakPolarHBondContact O-CB 3.44Å; E179-A183 PolarHBondContact O-N 3.1Å |
| 180 | R | 75.4 | Confident | 66.4 | Low | 208 Ų | 208 | 111.5 Ų | 111.5 | 79% | 0.785 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.9 | -43.1 | 171.9 | -113.7 | -177.7 | -176.3 | 145.8 | 1.1 | 112.5 | A176 E177 A182 A183 A184 | A176-R180 WeakPolarHBondContact O-CB 3.37Å; A176-R180 PolarHBondContact O-N 2.84Å; E177-R180 WeakPolarHBondContact O-CB 3.4Å; E177-R180 PolarHBondContact O-N 3.09Å; R180-A182 VanDerWaalsContact C-N 3.35Å; R180-A183 PolarHBondContact O-N 3.09Å; R180-A184 WeakPolarHBondContact O-CB 3.06Å; R180-A184 PolarHBondContact O-N 3.12Å |
| 181 | A | 70.8 | Confident | 65.6 | Low | 60 Ų | 60 | 115 Ų | 115 | 50% | 0.496 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -65.4 | -39.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E177 M178 A184 K185 | E177-A181 WeakPolarHBondContact O-CB 3.39Å; E177-A181 PolarHBondContact O-N 3.06Å; M178-A181 PolarHBondContact O-N 2.73Å; A181-A184 PolarHBondContact O-N 2.83Å; A181-K185 WeakPolarHBondContact O-CB 3.49Å; A181-K185 PolarHBondContact O-N 3.28Å |
| 182 | A | 70.2 | Confident | 64.3 | Low | 62 Ų | 62 | 118 Ų | 118 | 51% | 0.512 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -64.3 | -43.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | M178 E179 R180 A184 K185 A186 | M178-A182 WeakPolarHBondContact O-CB 3.36Å; M178-A182 PolarHBondContact O-N 3.02Å; E179-A182 PolarHBondContact O-N 2.77Å; R180-A182 VanDerWaalsContact C-N 3.35Å; A182-A184 PolarHBondContact O-N 3.48Å; A182-K185 PolarHBondContact O-N 3.02Å; A182-A186 WeakPolarHBondContact O-CB 3.41Å; A182-A186 PolarHBondContact O-N 3.04Å |
| 183 | A | 67.9 | Low | 62.8 | Low | 60 Ų | 60 | 120.1 Ų | 120.1 | 50% | 0.496 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -64.2 | -38.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | E179 R180 A186 K187 | E179-A183 WeakPolarHBondContact O-CB 3.44Å; E179-A183 PolarHBondContact O-N 3.1Å; R180-A183 PolarHBondContact O-N 3.09Å; A183-A186 PolarHBondContact O-N 2.72Å; A183-K187 PolarHBondContact O-N 2.76Å; A183-K187 VanDerWaalsContact O-N 3.16Å |
| 184 | A | 64 | Low | 61.3 | Low | 65 Ų | 65 | 118.1 Ų | 118.1 | 54% | 0.537 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -65 | -41.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | R180 A181 A182 K187 A188 | R180-A184 WeakPolarHBondContact O-CB 3.06Å; R180-A184 PolarHBondContact O-N 3.12Å; A181-A184 PolarHBondContact O-N 2.83Å; A182-A184 PolarHBondContact O-N 3.48Å; A184-K187 PolarHBondContact O-N 2.93Å; A184-A188 PolarHBondContact O-N 3.33Å |
| 185 | K | 57.9 | Low | 59.6 | Low | 175 Ų | 175 | 119.3 Ų | 119.3 | 76% | 0.761 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -68.6 | -33.8 | 177.6 | -159 | 174.1 | -175.7 | 179.6 | 0 | 112.6 | A181 A182 K187 A188 | A181-K185 WeakPolarHBondContact O-CB 3.49Å; A181-K185 PolarHBondContact O-N 3.28Å; A182-K185 PolarHBondContact O-N 3.02Å; K185-K187 VanDerWaalsContact C-N 3.3Å; K185-A188 PolarHBondContact O-N 3.05Å |
| 186 | A | 60.7 | Low | 57.5 | Low | 88 Ų | 88 | 117.5 Ų | 117.5 | 73% | 0.727 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -70.5 | -24.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A182 A183 | A182-A186 WeakPolarHBondContact O-CB 3.41Å; A182-A186 PolarHBondContact O-N 3.04Å; A183-A186 PolarHBondContact O-N 2.72Å |
| 187 | K | 57.1 | Low | 55.8 | Low | 187 Ų | 187 | 124.2 Ų | 124.2 | 81% | 0.813 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -86.1 | -12.6 | 174.7 | -105.5 | -178.9 | 179.1 | 179.9 | 0 | 114.1 | A183 A184 K185 P189 | A183-K187 PolarHBondContact O-N 2.76Å; A183-K187 VanDerWaalsContact O-N 3.16Å; A184-K187 PolarHBondContact O-N 2.93Å; K185-K187 VanDerWaalsContact C-N 3.3Å; K187-P189 WeakPolarHBondContact O-CD 3.42Å |
| 188 | A | 48.8 | Very low | 53.7 | Low | 60 Ų | 60 | 125.9 Ų | 125.9 | 50% | 0.496 | 69% | 0.688 | S | S | . | * | S | Bend | trans | -69.7 | 122.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | A184 K185 | A184-A188 PolarHBondContact O-N 3.33Å; K185-A188 PolarHBondContact O-N 3.05Å |
| 189 | P | 46.4 | Very low | 51.4 | Low | 111 Ų | 111 | 122.8 Ų | 122.8 | 72% | 0.721 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 143.1 | 175.6 | 24.3 | -31.8 | 0 | 0 | 0 | 109.5 | K187 | K187-P189 WeakPolarHBondContact O-CD 3.42Š|
| 190 | P | 47.8 | Very low | 49.3 | Very low | 104 Ų | 104 | 122.2 Ų | 122.2 | 68% | 0.675 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 139.4 | 178.6 | 24.4 | -32.9 | 0 | 0 | 0 | 109.6 | T192 | P190-T192 PolarHBondContact O-N 2.88Š|
| 191 | P | 46.4 | Very low | 47.3 | Very low | 92 Ų | 92 | 118.8 Ų | 118.8 | 60% | 0.597 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 116.8 | 172.8 | 22.8 | -32.5 | 0 | 0 | 0 | 108.2 | Y193 | P191-Y193 VanDerWaalsContact C-N 3.31Å; P191-Y193 HydrophobicContact CB-CD2 4.27Å; P191-Y193 HydrophobicContact CB-CE2 3.89Å; P191-Y193 HydrophobicContact CG-CD2 4.22Å; P191-Y193 HydrophobicContact CG-CE2 3.62Å; P191-Y193 WeakPolarHBondContact O-CD2 3.4Å; P191-Y193 PolarHBondContact O-N 3.25Å |
| 192 | T | 36.8 | Very low | 45.5 | Very low | 136 Ų | 136 | 124.6 Ų | 124.6 | 83% | 0.834 | 71% | 0.713 | S | S | * | * | | | trans | -74.1 | 91.2 | 179.7 | -35.7 | 0 | 0 | 0 | 0 | 107.1 | P190 S194 | P190-T192 PolarHBondContact O-N 2.88Å; T192-S194 VanDerWaalsContact C-N 3.34Å; T192-S194 PolarHBondContact O-N 3.34Å |
| 193 | Y | 41.8 | Very low | 43.8 | Very low | 194 Ų | 194 | 126.4 Ų | 126.4 | 76% | 0.761 | 72% | 0.722 | S | S | * | * | | | trans | -73.6 | 91.1 | 170.7 | -73.3 | -82.3 | 0 | 0 | 0 | 108.4 | P191 Q195 | P191-Y193 VanDerWaalsContact C-N 3.31Å; P191-Y193 HydrophobicContact CB-CD2 4.27Å; P191-Y193 HydrophobicContact CB-CE2 3.89Å; P191-Y193 HydrophobicContact CG-CD2 4.22Å; P191-Y193 HydrophobicContact CG-CE2 3.62Å; P191-Y193 WeakPolarHBondContact O-CD2 3.4Å; P191-Y193 PolarHBondContact O-N 3.25Å; Y193-Q195 PolarHBondContact O-N 3.21Å |
| 194 | S | 38.4 | Very low | 42 | Very low | 101 Ų | 101 | 135 Ų | 135 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | | | trans | -69.6 | 88.6 | 162.2 | 53.5 | 0 | 0 | 0 | 0 | 108.2 | T192 T196 | T192-S194 VanDerWaalsContact C-N 3.34Å; T192-S194 PolarHBondContact O-N 3.34Å; S194-T196 VanDerWaalsContact C-N 3.26Å; S194-T196 PolarHBondContact O-N 3.45Å |
| 195 | Q | 39.7 | Very low | 40.4 | Very low | 173 Ų | 173 | 139.4 Ų | 139.4 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | | | trans | -69.3 | 87.1 | 166 | -75.3 | -171.1 | 0.1 | 0 | 0 | 108.8 | Y193 K197 | Y193-Q195 PolarHBondContact O-N 3.21Å; Q195-K197 PolarHBondContact O-N 3.35Å; Q195-K197 VanDerWaalsContact O-N 3.11Å |
| 196 | T | 34 | Very low | 39.2 | Very low | 117 Ų | 117 | 135.4 Ų | 135.4 | 72% | 0.718 | 75% | 0.754 | S | S | * | * | | | trans | -73 | 101.8 | 165.8 | -39.6 | 0 | 0 | 0 | 0 | 106.9 | S194 Q198 | S194-T196 VanDerWaalsContact C-N 3.26Å; S194-T196 PolarHBondContact O-N 3.45Å; T196-Q198 VanDerWaalsContact C-N 3.31Å; T196-Q198 PolarHBondContact O-N 3.38Å |
| 197 | K | 35.1 | Very low | 37.6 | Very low | 197 Ų | 197 | 139.2 Ų | 139.2 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | | | trans | -57.2 | 91.2 | 170.5 | -76.5 | 177.4 | 175 | 177.5 | 0 | 109.1 | Q195 A199 | Q195-K197 PolarHBondContact O-N 3.35Å; Q195-K197 VanDerWaalsContact O-N 3.11Å; K197-A199 PolarHBondContact O-N 3.45Å |
| 198 | Q | 31.1 | Very low | 36.4 | Very low | 173 Ų | 173 | 139.3 Ų | 139.3 | 81% | 0.808 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 117.5 | 162.7 | -83.5 | -174.1 | -12.2 | 0 | 0 | 108 | T196 | T196-Q198 VanDerWaalsContact C-N 3.31Å; T196-Q198 PolarHBondContact O-N 3.38Å |
| 199 | A | 30.2 | Very low | 35.5 | Very low | 82 Ų | 82 | 144 Ų | 144 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -61 | 134.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | K197 V201 | K197-A199 PolarHBondContact O-N 3.45Å; A199-V201 PolarHBondContact O-N 3.36Å; A199-V201 VanDerWaalsContact O-N 3.16Å |
| 200 | P | 35.6 | Very low | 34.9 | Very low | 121 Ų | 121 | 146.2 Ų | 146.2 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 116.7 | -179.7 | 24.8 | -31.6 | 0 | 0 | 0 | 109.9 | Q202 | P200-Q202 PolarHBondContact O-N 3.17Š|
| 201 | V | 32.2 | Very low | 33.9 | Very low | 137 Ų | 137 | 147.1 Ų | 147.1 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | | | trans | -68.1 | 112.4 | 170.9 | 176 | 0 | 0 | 0 | 0 | 107.6 | A199 S203 | A199-V201 PolarHBondContact O-N 3.36Å; A199-V201 VanDerWaalsContact O-N 3.16Å; V201-S203 PolarHBondContact O-N 3.17Å |
| 202 | Q | 33.3 | Very low | 33.2 | Very low | 182 Ų | 182 | 151.4 Ų | 151.4 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | | | trans | -67.6 | 92.6 | 177.1 | -69.1 | 178 | -12.7 | 0 | 0 | 110.4 | P200 R204 | P200-Q202 PolarHBondContact O-N 3.17Å; Q202-R204 PolarHBondContact O-N 3.09Å |
| 203 | S | 35.5 | Very low | 32.7 | Very low | 100 Ų | 100 | 149.5 Ų | 149.5 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | | | trans | -79.1 | 101.9 | 162.9 | 57.1 | 0 | 0 | 0 | 0 | 108.7 | V201 I205 | V201-S203 PolarHBondContact O-N 3.17Å; S203-I205 PolarHBondContact O-N 3.22Å; S203-I205 VanDerWaalsContact O-N 3.15Å |
| 204 | R | 29.8 | Very low | 32.2 | Very low | 240 Ų | 240 | 145.1 Ų | 145.1 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | | | trans | -58.1 | 108.9 | 167.8 | -69.5 | 175.6 | 178.3 | -178 | -1.9 | 109.1 | Q202 | Q202-R204 PolarHBondContact O-N 3.09Š|
| 205 | I | 31.1 | Very low | 31.8 | Very low | 157 Ų | 157 | 146.3 Ų | 146.3 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | | | trans | -121 | 133 | 160 | -61.1 | 178.5 | 0 | 0 | 0 | 106.6 | S203 | S203-I205 PolarHBondContact O-N 3.22Å; S203-I205 VanDerWaalsContact O-N 3.15Å |
| 206 | A | 32 | Very low | 31.2 | Very low | 91 Ų | 91 | 147 Ų | 147 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | | | trans | -60.8 | 143.9 | -164.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E208 | A206-E208 PolarHBondContact O-N 2.76Š|
| 207 | Q | 27.7 | Very low | 30.9 | Very low | 169 Ų | 169 | 144.9 Ų | 144.9 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | trans | -61.1 | 120.2 | 167.9 | -65.8 | 167.1 | -66.9 | 0 | 0 | 109.5 | | |
| 208 | E | 31.3 | Very low | 30.8 | Very low | 189 Ų | 189 | 142.7 Ų | 142.7 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | | | trans | -108.7 | 104.7 | 149.8 | -80.2 | -176.8 | 165.5 | 0 | 0 | 106.5 | A206 D210 | A206-E208 PolarHBondContact O-N 2.76Å; E208-D210 PolarHBondContact O-N 3.2Å |
| 209 | E | 30.5 | Very low | 30.8 | Very low | 158 Ų | 158 | 141.5 Ų | 141.5 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | | | trans | -76.6 | 104.4 | 167.5 | -69.6 | 179.3 | 158.2 | 0 | 0 | 107.5 | | |
| 210 | D | 31.9 | Very low | 31.1 | Very low | 157 Ų | 157 | 143.3 Ų | 143.3 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | | | trans | -116.3 | 104 | 159.8 | -95.5 | -27.3 | 0 | 0 | 0 | 109.5 | E208 H212 | E208-D210 PolarHBondContact O-N 3.2Å; D210-H212 PolarHBondContact O-N 3.44Å |
| 211 | V | 27.7 | Very low | 30.9 | Very low | 123 Ų | 123 | 146.1 Ų | 146.1 | 75% | 0.745 | 80% | 0.803 | S | S | * | * | | | trans | -75.1 | 108.6 | 175.6 | 174.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 212 | H | 31.3 | Very low | 31.1 | Very low | 182 Ų | 182 | 145.7 Ų | 145.7 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | | | trans | -143.1 | 99.9 | 153.2 | -86.4 | -61.1 | 0 | 0 | 0 | 110.6 | D210 | D210-H212 PolarHBondContact O-N 3.44Š|
| 213 | A | 26 | Very low | 31 | Very low | 96 Ų | 96 | 142.7 Ų | 142.7 | 79% | 0.793 | 79% | 0.789 | S | S | * | * | | | trans | -79.8 | 118.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 214 | S | 32.7 | Very low | 30.9 | Very low | 103 Ų | 103 | 147.1 Ų | 147.1 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | | | trans | -146.3 | 100.7 | 161.6 | -73.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 215 | T | 28.9 | Very low | 30.9 | Very low | 125 Ų | 125 | 146.3 Ų | 146.3 | 77% | 0.767 | 79% | 0.789 | S | S | * | * | | | trans | 40.2 | 108.7 | 131.7 | 6.1 | 0 | 0 | 0 | 0 | 119.5 | | |
| 216 | E | 27.4 | Very low | 30.9 | Very low | 188 Ų | 188 | 145.3 Ų | 145.3 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | | | | 35 | 119.8 | 127.1 | -62.3 | -179.9 | 170.6 | 0 | 0 | 119.3 | | |
| 217 | G | 28.1 | Very low | 30.9 | Very low | 72 Ų | 72 | 146.9 Ų | 146.9 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | | | trans | 109.3 | 80.6 | 146.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 218 | D | 31.7 | Very low | 31.2 | Very low | 151 Ų | 151 | 144.3 Ų | 144.3 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | | | | -170 | 120 | 119.7 | -105.8 | -21.6 | 0 | 0 | 0 | 110.5 | T220 | D218-T220 VanDerWaalsContact C-N 3.26Å; D218-T220 PolarHBondContact O-N 3.08Å |
| 219 | V | 31.2 | Very low | 31.1 | Very low | 149 Ų | 149 | 140.2 Ų | 140.2 | 90% | 0.903 | 79% | 0.787 | S | S | * | * | | | trans | -70.5 | 84.7 | 174.8 | 179.4 | 0 | 0 | 0 | 0 | 107.2 | | |
| 220 | T | 36.8 | Very low | 31.1 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | | | trans | -88.1 | 124.2 | 171.3 | 41.7 | 0 | 0 | 0 | 0 | 109.3 | D218 I222 | D218-T220 VanDerWaalsContact C-N 3.26Å; D218-T220 PolarHBondContact O-N 3.08Å; T220-I222 PolarHBondContact O-N 3.26Å |
| 221 | E | 31.7 | Very low | 31.3 | Very low | 180 Ų | 180 | 140.9 Ų | 140.9 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | | | trans | -47.7 | 124.1 | -175.1 | -67.4 | 172.2 | 140.8 | 0 | 0 | 112.5 | T223 | E221-T223 VanDerWaalsContact C-N 3.29Å; E221-T223 PolarHBondContact O-N 2.97Å |
| 222 | I | 36.6 | Very low | 31.4 | Very low | 128 Ų | 128 | 139.7 Ų | 139.7 | 66% | 0.656 | 79% | 0.786 | S | S | * | * | | | trans | -66.9 | 91.4 | 173.3 | -58.5 | 169.8 | 0 | 0 | 0 | 107.5 | T220 Y224 | T220-I222 PolarHBondContact O-N 3.26Å; I222-Y224 HydrophobicContact CB-CE2 4.34Å; I222-Y224 HydrophobicContact CG2-CD1 4.29Å; I222-Y224 HydrophobicContact CG2-CD2 4.24Å; I222-Y224 HydrophobicContact CG2-CE1 4.04Å; I222-Y224 HydrophobicContact CG2-CE2 3.98Å; I222-Y224 HydrophobicContact CG2-CG 4.39Å; I222-Y224 VanDerWaalsContact O-CD2 3.29Å; I222-Y224 WeakPolarHBondContact O-CD2 3.47Å; I222-Y224 PolarHBondContact O-N 3.12Å; I222-Y224 VanDerWaalsContact O-N 3.07Å |
| 223 | T | 31.5 | Very low | 31.6 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | | | trans | -70.3 | 100.4 | 167 | -60.8 | 0 | 0 | 0 | 0 | 107.2 | E221 R225 | E221-T223 VanDerWaalsContact C-N 3.29Å; E221-T223 PolarHBondContact O-N 2.97Å; T223-R225 VanDerWaalsContact C-N 3.28Å; T223-R225 PolarHBondContact O-N 2.93Å |
| 224 | Y | 32.4 | Very low | 31.8 | Very low | 193 Ų | 193 | 139 Ų | 139 | 76% | 0.757 | 78% | 0.78 | S | S | * | * | | | trans | -64.6 | 88 | 173.3 | -66 | -88.4 | 0 | 0 | 0 | 109.7 | I222 T226 | I222-Y224 HydrophobicContact CB-CE2 4.34Å; I222-Y224 HydrophobicContact CG2-CD1 4.29Å; I222-Y224 HydrophobicContact CG2-CD2 4.24Å; I222-Y224 HydrophobicContact CG2-CE1 4.04Å; I222-Y224 HydrophobicContact CG2-CE2 3.98Å; I222-Y224 HydrophobicContact CG2-CG 4.39Å; I222-Y224 VanDerWaalsContact O-CD2 3.29Å; I222-Y224 WeakPolarHBondContact O-CD2 3.47Å; I222-Y224 PolarHBondContact O-N 3.12Å; I222-Y224 VanDerWaalsContact O-N 3.07Å; Y224-T226 PolarHBondContact O-N 3.25Å; Y224-T226 VanDerWaalsContact O-N 3.11Å |
| 225 | R | 29.6 | Very low | 31.8 | Very low | 223 Ų | 223 | 143.9 Ų | 143.9 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | | | trans | -73 | 95 | 160.8 | -102.8 | -173.9 | 173.8 | -170.3 | -0.5 | 107.7 | T223 T227 | T223-R225 VanDerWaalsContact C-N 3.28Å; T223-R225 PolarHBondContact O-N 2.93Å; R225-T227 VanDerWaalsContact C-N 3.3Å; R225-T227 PolarHBondContact O-N 2.82Å; R225-T227 PolarHBondContact O-OG1 2.8Å |
| 226 | T | 31.5 | Very low | 31.8 | Very low | 136 Ų | 136 | 140.7 Ų | 140.7 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | | | trans | -56.8 | 94.1 | 161.7 | 36.8 | 0 | 0 | 0 | 0 | 108.8 | Y224 | Y224-T226 PolarHBondContact O-N 3.25Å; Y224-T226 VanDerWaalsContact O-N 3.11Å |
| 227 | T | 32.5 | Very low | 31.9 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | | | trans | -88.5 | 120.9 | 166.5 | -0.9 | 0 | 0 | 0 | 0 | 106.7 | R225 A229 | R225-T227 VanDerWaalsContact C-N 3.3Å; R225-T227 PolarHBondContact O-N 2.82Å; R225-T227 PolarHBondContact O-OG1 2.8Å; T227-A229 PolarHBondContact O-N 2.93Å; T227-A229 VanDerWaalsContact O-N 3.16Å |
| 228 | P | 33.5 | Very low | 32.1 | Very low | 115 Ų | 115 | 144 Ų | 144 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | | | trans | -69.4 | 111.5 | 179.3 | 26.1 | -30.7 | 0 | 0 | 0 | 109.2 | L230 | P228-L230 PolarHBondContact O-N 3.17Å; P228-L230 VanDerWaalsContact O-N 3.11Å |
| 229 | A | 30.3 | Very low | 31.9 | Very low | 103 Ų | 103 | 146 Ų | 146 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | | | trans | -71.8 | 103.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | T227 | T227-A229 PolarHBondContact O-N 2.93Å; T227-A229 VanDerWaalsContact O-N 3.16Å |
| 230 | L | 29.8 | Very low | 31.9 | Very low | 156 Ų | 156 | 143 Ų | 143 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | | | trans | -98.4 | 90.5 | 176.9 | -141.8 | 160.3 | 0 | 0 | 0 | 106 | P228 | P228-L230 PolarHBondContact O-N 3.17Å; P228-L230 VanDerWaalsContact O-N 3.11Å |
| 231 | E | 35.8 | Very low | 31.7 | Very low | 173 Ų | 173 | 142.5 Ų | 142.5 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | | | trans | -131.2 | 98.4 | 168.3 | -72.6 | -169.1 | 179.9 | 0 | 0 | 109.6 | N233 | E231-N233 PolarHBondContact O-N 2.89Å; E231-N233 VanDerWaalsContact O-N 3.11Å |
| 232 | S | 31.1 | Very low | 31.6 | Very low | 98 Ų | 98 | 139.3 Ų | 139.3 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | | | trans | -58.6 | 98.5 | 165.3 | 50.9 | 0 | 0 | 0 | 0 | 110.1 | V234 | S232-V234 VanDerWaalsContact C-N 3.29Å; S232-V234 PolarHBondContact O-N 2.8Å |
| 233 | N | 34.3 | Very low | 31.3 | Very low | 133 Ų | 133 | 141 Ų | 141 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | | | trans | -78.3 | 87.1 | 163.5 | -84.7 | -27.1 | 0 | 0 | 0 | 108.9 | E231 Y235 | E231-N233 PolarHBondContact O-N 2.89Å; E231-N233 VanDerWaalsContact O-N 3.11Å; N233-Y235 VanDerWaalsContact C-N 3.28Å; N233-Y235 HydrophobicContact CB-CD2 4.17Å; N233-Y235 PolarHBondContact O-N 2.72Å |
| 234 | V | 31.4 | Very low | 31 | Very low | 132 Ų | 132 | 145 Ų | 145 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | | | trans | -67.2 | 88.2 | 161.8 | 179.9 | 0 | 0 | 0 | 0 | 106.9 | S232 | S232-V234 VanDerWaalsContact C-N 3.29Å; S232-V234 PolarHBondContact O-N 2.8Å |
| 235 | Y | 31.5 | Very low | 30.8 | Very low | 204 Ų | 204 | 143 Ų | 143 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | | | trans | -94.1 | 116.9 | 165.9 | -96.5 | -88.1 | 0 | 0 | 0 | 108.7 | N233 | N233-Y235 VanDerWaalsContact C-N 3.28Å; N233-Y235 HydrophobicContact CB-CD2 4.17Å; N233-Y235 PolarHBondContact O-N 2.72Å |
| 236 | G | 29.1 | Very low | 30.8 | Very low | 58 Ų | 58 | 137.1 Ų | 137.1 | 60% | 0.598 | 79% | 0.785 | S | S | * | * | | | trans | -60.8 | 146.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114 | T238 | G236-T238 PolarHBondContact O-N 2.83Å; G236-T238 VanDerWaalsContact O-N 3.13Å |
| 237 | E | 29.9 | Very low | 30.6 | Very low | 198 Ų | 198 | 137.2 Ų | 137.2 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | | | trans | -48.8 | 112.9 | 166.7 | -69.5 | 174.1 | 141.7 | 0 | 0 | 109.9 | E239 | E237-E239 PolarHBondContact O-N 2.92Š|
| 238 | T | 31.2 | Very low | 30.6 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | | | trans | -88.6 | 101.1 | 169.7 | -45.7 | 0 | 0 | 0 | 0 | 106.9 | G236 A240 | G236-T238 PolarHBondContact O-N 2.83Å; G236-T238 VanDerWaalsContact O-N 3.13Å; T238-A240 PolarHBondContact O-N 3.18Å |
| 239 | E | 28.5 | Very low | 30.5 | Very low | 193 Ų | 193 | 135 Ų | 135 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | | | trans | -61 | 112.2 | 166.2 | -67.5 | -173.1 | 162.7 | 0 | 0 | 109.1 | E237 | E237-E239 PolarHBondContact O-N 2.92Š|
| 240 | A | 30.5 | Very low | 30.8 | Very low | 86 Ų | 86 | 137.3 Ų | 137.3 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | | | trans | -140.1 | 145.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | T238 | T238-A240 PolarHBondContact O-N 3.18Š|
| 241 | P | 33.9 | Very low | 30.9 | Very low | 110 Ų | 110 | 139 Ų | 139 | 71% | 0.714 | 77% | 0.774 | S | S | * | * | | | trans | -91.4 | 139.6 | -136.9 | 33.1 | -34.1 | 0 | 0 | 0 | 113.8 | L243 | P241-L243 PolarHBondContact O-N 3.36Š|
| 242 | S | 28.9 | Very low | 30.6 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | | | trans | 9.8 | 76.7 | 147.8 | 51.2 | 0 | 0 | 0 | 0 | 116.7 | K244 | S242-K244 PolarHBondContact O-N 2.75Š|
| 243 | L | 29.4 | Very low | 31 | Very low | 163 Ų | 163 | 140.2 Ų | 140.2 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | | | trans | -67 | 101.4 | 158.7 | -85.4 | 162.3 | 0 | 0 | 0 | 107.6 | P241 L245 | P241-L243 PolarHBondContact O-N 3.36Å; L243-L245 PolarHBondContact O-N 3.04Å |
| 244 | K | 26.8 | Very low | 31.1 | Very low | 204 Ų | 204 | 143.3 Ų | 143.3 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | | | trans | -60.2 | 78.2 | 163.2 | -74.8 | 178.3 | 175.7 | 176.3 | 0 | 108.8 | S242 S246 | S242-K244 PolarHBondContact O-N 2.75Å; K244-S246 PolarHBondContact O-N 2.91Å |
| 245 | L | 28.2 | Very low | 31.3 | Very low | 151 Ų | 151 | 141.7 Ų | 141.7 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | | | trans | -86.9 | 100.3 | 166.4 | -145.5 | 73.5 | 0 | 0 | 0 | 106.7 | L243 T247 | L243-L245 PolarHBondContact O-N 3.04Å; L245-T247 PolarHBondContact O-N 3.11Å |
| 246 | S | 29.2 | Very low | 31.3 | Very low | 100 Ų | 100 | 139.6 Ų | 139.6 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | | | trans | -35.8 | 119.7 | 168 | 48.3 | 0 | 0 | 0 | 0 | 111.1 | K244 P248 | K244-S246 PolarHBondContact O-N 2.91Å; S246-P248 WeakPolarHBondContact O-CD 3.35Å |
| 247 | T | 27.1 | Very low | 31.7 | Very low | 137 Ų | 137 | 146.3 Ų | 146.3 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | | | trans | -55.7 | 116.9 | 170.8 | 44.8 | 0 | 0 | 0 | 0 | 111.8 | L245 | L245-T247 PolarHBondContact O-N 3.11Š|
| 248 | P | 31.9 | Very low | 32.2 | Very low | 111 Ų | 111 | 141.7 Ų | 141.7 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | | | trans | -97.5 | 107.3 | 145.9 | 23.5 | -3 | 0 | 0 | 0 | 107.4 | S246 | S246-P248 WeakPolarHBondContact O-CD 3.35Š|
| 249 | S | 32.9 | Very low | 32.6 | Very low | 82 Ų | 82 | 142.7 Ų | 142.7 | 57% | 0.573 | 78% | 0.776 | S | S | * | * | | | trans | 19.8 | 123.1 | 134.8 | 56.5 | 0 | 0 | 0 | 0 | 118.1 | | |
| 250 | D | 34.6 | Very low | 33.2 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | | | trans | 82.1 | 45.2 | 135.6 | -47.4 | -18.4 | 0 | 0 | 0 | 119.7 | | |
| 251 | F | 32.3 | Very low | 33.6 | Very low | 192 Ų | 192 | 138.8 Ų | 138.8 | 84% | 0.842 | 76% | 0.758 | S | S | * | * | | | trans | -115 | 85.8 | 152.1 | -81.1 | -82.9 | 0 | 0 | 0 | 109.9 | P253 | F251-P253 VanDerWaalsContact O-CD 3.28Å; F251-P253 WeakPolarHBondContact O-CD 3.37Å |
| 252 | E | 30.7 | Very low | 34 | Very low | 189 Ų | 189 | 137.3 Ų | 137.3 | 88% | 0.883 | 75% | 0.75 | S | S | * | * | | | trans | -60.6 | 117.6 | 157.2 | -80.6 | -164.8 | 160.3 | 0 | 0 | 108 | Y254 | E252-Y254 PolarHBondContact O-N 3.16Å; E252-Y254 VanDerWaalsContact O-N 3.16Å |
| 253 | P | 39.7 | Very low | 34.3 | Very low | 108 Ų | 108 | 141 Ų | 141 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | | | trans | -76 | 109.2 | -178.6 | 29.3 | -30.3 | 0 | 0 | 0 | 109.4 | F251 A255 | F251-P253 VanDerWaalsContact O-CD 3.28Å; F251-P253 WeakPolarHBondContact O-CD 3.37Å; P253-A255 PolarHBondContact O-N 2.95Å |
| 254 | Y | 36.4 | Very low | 34.6 | Very low | 198 Ų | 198 | 136.6 Ų | 136.6 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | | | trans | 36.4 | 58.3 | 143.5 | -66 | -85.1 | 0 | 0 | 0 | 117 | E252 | E252-Y254 PolarHBondContact O-N 3.16Å; E252-Y254 VanDerWaalsContact O-N 3.16Å |
| 255 | A | 35.8 | Very low | 35.2 | Very low | 97 Ų | 97 | 129.6 Ų | 129.6 | 80% | 0.802 | 71% | 0.712 | S | S | * | * | | | trans | -90.2 | 1.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | P253 Y257 | P253-A255 PolarHBondContact O-N 2.95Å; A255-Y257 PolarHBondContact O-N 3.32Å |
| 256 | M | 31.2 | Very low | 35.7 | Very low | 161 Ų | 161 | 130.9 Ų | 130.9 | 79% | 0.793 | 71% | 0.706 | S | S | * | * | | | trans | -96.4 | 59.5 | 179.1 | -78.2 | -169.4 | 57.2 | 0 | 0 | 112.8 | | |
| 257 | Y | 37.6 | Very low | 36.1 | Very low | 199 Ų | 199 | 133.9 Ų | 133.9 | 78% | 0.78 | 70% | 0.703 | S | S | * | * | | | trans | -108.4 | 60.8 | 148.5 | -76.4 | -80.2 | 0 | 0 | 0 | 107.8 | A255 D259 | A255-Y257 PolarHBondContact O-N 3.32Å; Y257-D259 PolarHBondContact O-N 3.08Å; Y257-D259 VanDerWaalsContact O-N 3.08Å |
| 258 | T | 39.8 | Very low | 36.7 | Very low | 101 Ų | 101 | 137.1 Ų | 137.1 | 62% | 0.62 | 70% | 0.7 | S | S | * | * | | | trans | -62.5 | 107.3 | 163.7 | 47.8 | 0 | 0 | 0 | 0 | 107.4 | V260 | T258-V260 VanDerWaalsContact C-N 3.34Å; T258-V260 PolarHBondContact O-N 3.4Å |
| 259 | D | 39.3 | Very low | 37 | Very low | 153 Ų | 153 | 141.2 Ų | 141.2 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | | | trans | 15.6 | 72.5 | 153.7 | -66.2 | -30.4 | 0 | 0 | 0 | 114.1 | Y257 P261 | Y257-D259 PolarHBondContact O-N 3.08Å; Y257-D259 VanDerWaalsContact O-N 3.08Å; D259-P261 WeakPolarHBondContact O-CD 3.28Å |
| 260 | V | 40 | Very low | 37.5 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 69% | 0.685 | 70% | 0.698 | S | S | * | * | | | trans | -62.5 | 111.9 | 163.1 | 178.3 | 0 | 0 | 0 | 0 | 103.8 | T258 S262 | T258-V260 VanDerWaalsContact C-N 3.34Å; T258-V260 PolarHBondContact O-N 3.4Å; V260-S262 PolarHBondContact O-N 3.31Å |
| 261 | P | 40.1 | Very low | 37.8 | Very low | 84 Ų | 84 | 140.3 Ų | 140.3 | 55% | 0.545 | 69% | 0.688 | S | S | . | * | | | trans | -60.5 | 107.9 | -176.9 | -17.7 | 30.9 | 0 | 0 | 0 | 105.6 | D259 Y263 | D259-P261 WeakPolarHBondContact O-CD 3.28Å; P261-Y263 PolarHBondContact O-N 3.21Å; P261-Y263 VanDerWaalsContact O-N 3.07Å |
| 262 | S | 41.4 | Very low | 38.3 | Very low | 78 Ų | 78 | 135.6 Ų | 135.6 | 55% | 0.545 | 68% | 0.675 | S | S | . | * | | | trans | -54.4 | 126.4 | -177.9 | 65.4 | 0 | 0 | 0 | 0 | 106.4 | V260 A264 S265 | V260-S262 PolarHBondContact O-N 3.31Å; S262-A264 PolarHBondContact O-N 2.81Å; S262-S265 PolarHBondContact O-N 3.37Å; S262-S265 PolarHBondContact O-OG 3.41Å |
| 263 | Y | 35.5 | Very low | 38.9 | Very low | 189 Ų | 189 | 130.4 Ų | 130.4 | 74% | 0.741 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.4 | -19.5 | -175.1 | -83 | -96.3 | 0 | 0 | 0 | 112.9 | P261 S265 | P261-Y263 PolarHBondContact O-N 3.21Å; P261-Y263 VanDerWaalsContact O-N 3.07Å; Y263-S265 VanDerWaalsContact C-N 3.28Å; Y263-S265 PolarHBondContact O-N 3.08Å |
| 264 | A | 36.4 | Very low | 38.9 | Very low | 71 Ų | 71 | 130.9 Ų | 130.9 | 59% | 0.587 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -59.9 | -29.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | S262 | S262-A264 PolarHBondContact O-N 2.81Å |
| 265 | S | 39.2 | Very low | 39 | Very low | 57 Ų | 57 | 124.3 Ų | 124.3 | 40% | 0.399 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -75.5 | -27 | -175.6 | 54.1 | 0 | 0 | 0 | 0 | 113.8 | S262 Y263 | S262-S265 PolarHBondContact O-N 3.37Å; S262-S265 PolarHBondContact O-OG 3.41Å; Y263-S265 VanDerWaalsContact C-N 3.28Å; Y263-S265 PolarHBondContact O-N 3.08Å |
| 266 | R | 39.8 | Very low | 39.3 | Very low | 178 Ų | 178 | 123.2 Ų | 123.2 | 67% | 0.672 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -69.1 | -42.8 | 175.5 | -68.6 | -169.5 | -166.2 | -141 | 3.4 | 111.8 | R268 R269 | R266-R268 VanDerWaalsContact C-N 3.33Å; R266-R268 PolarHBondContact O-N 2.9Å; R266-R269 PolarHBondContact O-N 3.11Å |
| 267 | Y | 37 | Very low | 39.7 | Very low | 164 Ų | 164 | 119.8 Ų | 119.8 | 64% | 0.643 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -69.3 | -26.3 | -178.7 | -76.6 | -76.5 | 0 | 0 | 0 | 114.3 | R269 I271 | Y267-R269 VanDerWaalsContact C-N 3.3Å; Y267-R269 PolarHBondContact O-N 3.11Å; Y267-I271 WeakPolarHBondContact O-CG1 3.38Å; Y267-I271 PolarHBondContact O-N 3.23Å |
| 268 | R | 39.8 | Very low | 40.1 | Very low | 204 Ų | 204 | 113.7 Ų | 113.7 | 77% | 0.77 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68.7 | -27.6 | 174.9 | -81.6 | -162.9 | 179 | -159.5 | 1.8 | 113.1 | R266 V272 | R266-R268 VanDerWaalsContact C-N 3.33Å; R266-R268 PolarHBondContact O-N 2.9Å; R268-V272 WeakPolarHBondContact O-CG2 3.49Å |
| 269 | R | 38.2 | Very low | 40.3 | Very low | 198 Ų | 198 | 113 Ų | 113 | 75% | 0.747 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -73.3 | -44.1 | 176.5 | -78 | -175.6 | 174.9 | 143.6 | -0.1 | 111.3 | R266 Y267 I271 V272 T273 | R266-R269 PolarHBondContact O-N 3.11Å; Y267-R269 VanDerWaalsContact C-N 3.3Å; Y267-R269 PolarHBondContact O-N 3.11Å; R269-I271 VanDerWaalsContact C-N 3.34Å; R269-I271 PolarHBondContact O-N 3.14Å; R269-V272 PolarHBondContact O-N 3.11Å; R269-V272 VanDerWaalsContact O-N 3.17Å; R269-T273 PolarHBondContact O-N 3.45Å; R269-T273 VanDerWaalsContact O-N 3.09Å; R269-T273 PolarHBondContact O-OG1 2.79Å |
| 270 | D | 42.2 | Very low | 40.2 | Very low | 93 Ų | 93 | 112.1 Ų | 112.1 | 50% | 0.497 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.4 | -34.7 | -176.3 | -68.1 | -13.3 | 0 | 0 | 0 | 113.4 | V272 T273 L274 | D270-V272 VanDerWaalsContact C-N 3.32Å; D270-V272 PolarHBondContact O-N 2.98Å; D270-T273 PolarHBondContact O-N 3.13Å; D270-L274 WeakPolarHBondContact O-CB 3.16Å; D270-L274 PolarHBondContact O-N 2.76Å |
| 271 | I | 42.5 | Very low | 40.1 | Very low | 119 Ų | 119 | 114.8 Ų | 114.8 | 61% | 0.61 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.5 | -37.3 | 177.1 | -63.3 | 168.6 | 0 | 0 | 0 | 111 | Y267 R269 A275 | Y267-I271 WeakPolarHBondContact O-CG1 3.38Å; Y267-I271 PolarHBondContact O-N 3.23Å; R269-I271 VanDerWaalsContact C-N 3.34Å; R269-I271 PolarHBondContact O-N 3.14Å; I271-A275 WeakPolarHBondContact O-CB 3.29Å; I271-A275 PolarHBondContact O-N 3.07Å |
| 272 | V | 41.3 | Very low | 39.6 | Very low | 94 Ų | 94 | 113.7 Ų | 113.7 | 57% | 0.57 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.8 | -42 | 177.2 | 177.6 | 0 | 0 | 0 | 0 | 110.5 | R268 R269 D270 L274 A275 V276 | R268-V272 WeakPolarHBondContact O-CG2 3.49Å; R269-V272 PolarHBondContact O-N 3.11Å; R269-V272 VanDerWaalsContact O-N 3.17Å; D270-V272 VanDerWaalsContact C-N 3.32Å; D270-V272 PolarHBondContact O-N 2.98Å; V272-L274 VanDerWaalsContact C-N 3.34Å; V272-L274 PolarHBondContact O-N 2.79Å; V272-A275 PolarHBondContact O-N 3.08Å; V272-V276 HydrophobicContact CG1-CG2 4.49Å; V272-V276 VanDerWaalsContact O-CG2 3.25Å; V272-V276 WeakPolarHBondContact O-CG2 3.29Å; V272-V276 PolarHBondContact O-N 2.84Å |
| 273 | T | 43 | Very low | 39.1 | Very low | 79 Ų | 79 | 114.4 Ų | 114.4 | 49% | 0.485 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.2 | -39.9 | 178 | -32.7 | 0 | 0 | 0 | 0 | 111.9 | R269 D270 V276 L277 | R269-T273 PolarHBondContact O-N 3.45Å; R269-T273 VanDerWaalsContact O-N 3.09Å; R269-T273 PolarHBondContact O-OG1 2.79Å; D270-T273 PolarHBondContact O-N 3.13Å; T273-V276 PolarHBondContact O-N 2.82Å; T273-L277 PolarHBondContact O-N 3.15Å |
| 274 | L | 39.6 | Very low | 38.9 | Very low | 118 Ų | 118 | 111.2 Ų | 111.2 | 62% | 0.618 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -69.7 | -37.1 | 176.2 | -91.8 | 157.1 | 0 | 0 | 0 | 112.9 | D270 V272 V276 L277 A278 | D270-L274 WeakPolarHBondContact O-CB 3.16Å; D270-L274 PolarHBondContact O-N 2.76Å; V272-L274 VanDerWaalsContact C-N 3.34Å; V272-L274 PolarHBondContact O-N 2.79Å; L274-V276 VanDerWaalsContact C-N 3.33Å; L274-L277 PolarHBondContact O-N 3.44Å; L274-A278 WeakPolarHBondContact O-CB 3.41Å; L274-A278 PolarHBondContact O-N 3.42Å |
| 275 | A | 39.8 | Very low | 38.4 | Very low | 60 Ų | 60 | 111.4 Ų | 111.4 | 50% | 0.496 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.2 | -38.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | I271 V272 A278 S279 | I271-A275 WeakPolarHBondContact O-CB 3.29Å; I271-A275 PolarHBondContact O-N 3.07Å; V272-A275 PolarHBondContact O-N 3.08Å; A275-A278 PolarHBondContact O-N 3.29Å; A275-S279 PolarHBondContact O-N 2.94Å |
| 276 | V | 41.6 | Very low | 38 | Very low | 74 Ų | 74 | 117.9 Ų | 117.9 | 45% | 0.448 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -66.7 | -40.4 | 175.7 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | V272 T273 L274 S279 L280 | V272-V276 HydrophobicContact CG1-CG2 4.49Å; V272-V276 VanDerWaalsContact O-CG2 3.25Å; V272-V276 WeakPolarHBondContact O-CG2 3.29Å; V272-V276 PolarHBondContact O-N 2.84Å; T273-V276 PolarHBondContact O-N 2.82Å; L274-V276 VanDerWaalsContact C-N 3.33Å; V276-S279 PolarHBondContact O-N 2.84Å; V276-S279 PolarHBondContact O-OG 3.22Å; V276-L280 HydrophobicContact CG1-CD1 4.25Å; V276-L280 PolarHBondContact O-N 3.1Å |
| 277 | L | 39.8 | Very low | 37.3 | Very low | 90 Ų | 90 | 115.1 Ų | 115.1 | 47% | 0.471 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -65 | -41.1 | 174.3 | -78.4 | 167 | 0 | 0 | 0 | 111.8 | T273 L274 S279 L280 F281 | T273-L277 PolarHBondContact O-N 3.15Å; L274-L277 PolarHBondContact O-N 3.44Å; L277-S279 VanDerWaalsContact C-N 3.29Å; L277-S279 PolarHBondContact O-N 3.16Å; L277-L280 PolarHBondContact O-N 3.27Å; L277-L280 VanDerWaalsContact O-N 3.12Å; L277-F281 VanDerWaalsContact O-CD2 3.28Å; L277-F281 WeakPolarHBondContact O-CD2 3.44Å; L277-F281 PolarHBondContact O-N 3.17Å; L277-F281 VanDerWaalsContact O-N 3.15Å |
| 278 | A | 45.2 | Very low | 36.9 | Very low | 71 Ų | 71 | 111.7 Ų | 111.7 | 59% | 0.587 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -64.1 | -32.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L274 A275 | L274-A278 WeakPolarHBondContact O-CB 3.41Å; L274-A278 PolarHBondContact O-N 3.42Å; A275-A278 PolarHBondContact O-N 3.29Å |
| 279 | S | 43.9 | Very low | 36 | Very low | 87 Ų | 87 | 107.5 Ų | 107.5 | 61% | 0.608 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -77.9 | -23.7 | 173.2 | 65.9 | 0 | 0 | 0 | 0 | 113.6 | A275 V276 L277 | A275-S279 PolarHBondContact O-N 2.94Å; V276-S279 PolarHBondContact O-N 2.84Å; V276-S279 PolarHBondContact O-OG 3.22Å; L277-S279 VanDerWaalsContact C-N 3.29Å; L277-S279 PolarHBondContact O-N 3.16Å |
| 280 | L | 39.1 | Very low | 35.5 | Very low | 133 Ų | 133 | 102.6 Ų | 102.6 | 70% | 0.696 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -72.6 | -31.3 | 173.6 | -114.1 | 103.9 | 0 | 0 | 0 | 112.2 | V276 L277 G282 | V276-L280 HydrophobicContact CG1-CD1 4.25Å; V276-L280 PolarHBondContact O-N 3.1Å; L277-L280 PolarHBondContact O-N 3.27Å; L277-L280 VanDerWaalsContact O-N 3.12Å; L280-G282 PolarHBondContact O-N 3.2Å |
| 281 | F | 37.1 | Very low | 34.6 | Very low | 170 Ų | 170 | 104.9 Ų | 104.9 | 75% | 0.746 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -83 | 63.2 | 168.5 | -68.5 | -74.5 | 0 | 0 | 0 | 110.1 | L277 | L277-F281 VanDerWaalsContact O-CD2 3.28Å; L277-F281 WeakPolarHBondContact O-CD2 3.44Å; L277-F281 PolarHBondContact O-N 3.17Å; L277-F281 VanDerWaalsContact O-N 3.15Å |
| 282 | G | 29.3 | Very low | 33.9 | Very low | 60 Ų | 60 | 107.4 Ų | 107.4 | 62% | 0.619 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 136.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L280 | L280-G282 PolarHBondContact O-N 3.2Š|
| 283 | A | 31 | Very low | 33.1 | Very low | 93 Ų | 93 | 109.7 Ų | 109.7 | 77% | 0.769 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 135.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G285 | A283-G285 PolarHBondContact O-N 3.35Š|
| 284 | P | 31.4 | Very low | 32.2 | Very low | 123 Ų | 123 | 112.3 Ų | 112.3 | 80% | 0.799 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 122.6 | 178.5 | 25.9 | -32.3 | 0 | 0 | 0 | 110.3 | E286 | P284-E286 PolarHBondContact O-N 3.13Š|
| 285 | G | 26.1 | Very low | 31.7 | Very low | 75 Ų | 75 | 112.4 Ų | 112.4 | 77% | 0.773 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 122.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A283 S287 | A283-G285 PolarHBondContact O-N 3.35Å; G285-S287 PolarHBondContact O-N 3.24Å |
| 286 | E | 29.5 | Very low | 31 | Very low | 193 Ų | 193 | 114.7 Ų | 114.7 | 90% | 0.902 | 73% | 0.732 | S | S | * | * | | | trans | -73.8 | 100.9 | 170.6 | -72.8 | -177 | 153.3 | 0 | 0 | 109.3 | P284 A288 | P284-E286 PolarHBondContact O-N 3.13Å; E286-A288 VanDerWaalsContact C-N 3.34Å; E286-A288 PolarHBondContact O-N 3.48Å; E286-A288 VanDerWaalsContact O-N 3.08Å |
| 287 | S | 25.3 | Very low | 30.4 | Very low | 120 Ų | 120 | 116.7 Ų | 116.7 | 84% | 0.839 | 75% | 0.75 | S | S | * | * | | | trans | -73.4 | 86.3 | 164.6 | 56.4 | 0 | 0 | 0 | 0 | 109.3 | G285 S289 | G285-S287 PolarHBondContact O-N 3.24Å; S287-S289 PolarHBondContact O-N 2.9Å |
| 288 | A | 28.3 | Very low | 29.7 | Very low | 91 Ų | 91 | 123.4 Ų | 123.4 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | | | trans | -90.9 | 93 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | E286 A290 | E286-A288 VanDerWaalsContact C-N 3.34Å; E286-A288 PolarHBondContact O-N 3.48Å; E286-A288 VanDerWaalsContact O-N 3.08Å; A288-A290 PolarHBondContact O-N 2.88Å; A288-A290 VanDerWaalsContact O-N 3.12Å |
| 289 | S | 22.5 | Very low | 28.8 | Very low | 117 Ų | 117 | 125.2 Ų | 125.2 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -70.9 | 93.8 | 165 | 60.8 | 0 | 0 | 0 | 0 | 109.3 | S287 | S287-S289 PolarHBondContact O-N 2.9Š|
| 290 | A | 27.5 | Very low | 28.1 | Very low | 95 Ų | 95 | 128 Ų | 128 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | trans | -111.7 | 86.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | A288 Q292 | A288-A290 PolarHBondContact O-N 2.88Å; A288-A290 VanDerWaalsContact O-N 3.12Å; A290-Q292 PolarHBondContact O-N 3.02Å |
| 291 | V | 22.8 | Very low | 27.5 | Very low | 140 Ų | 140 | 128 Ų | 128 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | | | trans | -69.9 | 107.4 | 158.9 | 173.6 | 0 | 0 | 0 | 0 | 106.1 | | |
| 292 | Q | 26.8 | Very low | 27.2 | Very low | 172 Ų | 172 | 129.5 Ų | 129.5 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -157.4 | 108.7 | 160 | -114.7 | 167.6 | 11.3 | 0 | 0 | 111.2 | A290 | A290-Q292 PolarHBondContact O-N 3.02Š|
| 293 | D | 25.6 | Very low | 27.1 | Very low | 142 Ų | 142 | 130.4 Ų | 130.4 | 76% | 0.759 | 81% | 0.807 | S | S | * | * | | | trans | 57.5 | 98.3 | 140.3 | -57.3 | -25.3 | 0 | 0 | 0 | 119.3 | P295 | D293-P295 WeakPolarHBondContact O-CD 3.48Š|
| 294 | V | 23.8 | Very low | 26.9 | Very low | 135 Ų | 135 | 135.6 Ų | 135.6 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | | | trans | -62.9 | 122.4 | 155.3 | 173.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 295 | P | 28.9 | Very low | 26.8 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | | | trans | -96.4 | 108.9 | 148.5 | 26.7 | -12 | 0 | 0 | 0 | 108.5 | D293 S297 | D293-P295 WeakPolarHBondContact O-CD 3.48Å; P295-S297 PolarHBondContact O-N 3.43Å |
| 296 | S | 24.9 | Very low | 27 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 76% | 0.762 | 82% | 0.819 | S | S | * | * | | | trans | -49.4 | 115.5 | 163.7 | 142.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 297 | S | 29.7 | Very low | 27 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | | | trans | -127.7 | 136 | 154.5 | 62.8 | 0 | 0 | 0 | 0 | 109.7 | P295 | P295-S297 PolarHBondContact O-N 3.43Š|
| 298 | R | 24.4 | Very low | 27.2 | Very low | 230 Ų | 230 | 136.1 Ų | 136.1 | 87% | 0.868 | 81% | 0.812 | S | S | * | * | | | trans | -72.1 | 157.8 | -162.1 | -79.8 | 174.5 | 173.2 | 171.3 | -3.5 | 113.7 | | |
| 299 | P | 26.7 | Very low | 27.4 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 71% | 0.708 | 82% | 0.82 | S | S | * | * | | | trans | -75.2 | 143 | -178.8 | 32.4 | -34.5 | 0 | 0 | 0 | 111.5 | | |
| 300 | V | 30.1 | Very low | 27.5 | Very low | 146 Ų | 146 | 140.1 Ų | 140.1 | 89% | 0.885 | 82% | 0.819 | S | S | * | * | | | trans | -95.1 | 105.5 | 162.1 | 174.8 | 0 | 0 | 0 | 0 | 106.7 | | |
| 301 | D | 26.6 | Very low | 27.5 | Very low | 132 Ų | 132 | 139 Ų | 139 | 71% | 0.706 | 82% | 0.817 | S | S | * | * | | | trans | -62.2 | 136.5 | 159.6 | -69.2 | -48.7 | 0 | 0 | 0 | 109.6 | | |
| 302 | Q | 29 | Very low | 27.8 | Very low | 202 Ų | 202 | 141.9 Ų | 141.9 | 94% | 0.944 | 82% | 0.821 | S | S | * | * | | | trans | 164.4 | 126.1 | 138.4 | -91.2 | 165.1 | 29.8 | 0 | 0 | 110.5 | | |
| 303 | G | 27.7 | Very low | 27.7 | Very low | 80 Ų | 80 | 142.8 Ų | 142.8 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | | | trans | 144.7 | 60 | 162.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 304 | E | 26.6 | Very low | 28.1 | Very low | 201 Ų | 201 | 141.5 Ų | 141.5 | 94% | 0.939 | 83% | 0.827 | S | S | * | * | | | trans | -59.9 | 133 | 158.6 | -66.3 | 176.5 | 140.8 | 0 | 0 | 110.4 | | |
| 305 | A | 31 | Very low | 28.3 | Very low | 102 Ų | 102 | 145.4 Ų | 145.4 | 84% | 0.843 | 83% | 0.833 | S | S | * | * | | | trans | -161.2 | 90.6 | 148.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 306 | L | 28.6 | Very low | 28.4 | Very low | 156 Ų | 156 | 143.1 Ų | 143.1 | 82% | 0.817 | 83% | 0.831 | S | S | * | * | | | trans | -66.3 | 130.5 | 157.4 | -72.6 | 160.3 | 0 | 0 | 0 | 107.9 | | |
| 307 | D | 31 | Very low | 28.5 | Very low | 166 Ų | 166 | 147.8 Ų | 147.8 | 89% | 0.888 | 84% | 0.837 | S | S | * | * | | | trans | -143.8 | 111.4 | 142.2 | -107.7 | -24.5 | 0 | 0 | 0 | 110 | | |
| 308 | S | 29 | Very low | 28.5 | Very low | 99 Ų | 99 | 147.8 Ų | 147.8 | 69% | 0.692 | 84% | 0.837 | S | S | * | * | | | trans | -94.4 | 116.1 | 178.4 | -56.4 | 0 | 0 | 0 | 0 | 107.3 | | |
| 309 | L | 31.4 | Very low | 28.9 | Very low | 176 Ų | 176 | 142.1 Ų | 142.1 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | | | trans | -121.4 | 86 | 163.8 | -100.5 | 157.1 | 0 | 0 | 0 | 108.9 | | |
| 310 | S | 25.5 | Very low | 28.9 | Very low | 115 Ų | 115 | 145.1 Ų | 145.1 | 80% | 0.804 | 84% | 0.84 | S | S | * | * | | | trans | -74 | 135.1 | 157.6 | 63.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 311 | G | 26.8 | Very low | 29.1 | Very low | 71 Ų | 71 | 142.6 Ų | 142.6 | 73% | 0.732 | 83% | 0.834 | S | S | * | * | | | trans | 164.8 | 92.5 | 162.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 312 | Q | 29.6 | Very low | 29.4 | Very low | 202 Ų | 202 | 141.5 Ų | 141.5 | 94% | 0.944 | 84% | 0.837 | S | S | * | * | | | | 171.9 | 129.7 | 111.7 | -99.7 | 179.8 | 0.8 | 0 | 0 | 111 | | |
| 313 | M | 25.2 | Very low | 29.4 | Very low | 191 Ų | 191 | 141 Ų | 141 | 94% | 0.941 | 84% | 0.835 | S | S | * | * | | | trans | -89.1 | 167.8 | -179.3 | -93.7 | -158.2 | 172.1 | 0 | 0 | 112.9 | | |
| 314 | P | 33.6 | Very low | 30 | Very low | 115 Ų | 115 | 143.1 Ų | 143.1 | 75% | 0.747 | 83% | 0.834 | S | S | * | * | | | trans | -99 | 157.1 | -158 | 38 | -32.9 | 0 | 0 | 0 | 114.5 | | |
| 315 | K | 29 | Very low | 30.2 | Very low | 217 Ų | 217 | 138.5 Ų | 138.5 | 94% | 0.943 | 82% | 0.824 | S | S | * | * | | | trans | -149.1 | 137.6 | 170.5 | -78 | -173 | 177.6 | 173.7 | 0 | 113.6 | | |
| 316 | G | 30 | Very low | 30.2 | Very low | 71 Ų | 71 | 143.5 Ų | 143.5 | 73% | 0.732 | 83% | 0.827 | S | S | * | * | | | trans | 105.3 | 104.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 317 | K | 27.1 | Very low | 30.4 | Very low | 206 Ų | 206 | 141.6 Ų | 141.6 | 90% | 0.896 | 82% | 0.821 | S | S | * | * | | | | 45.4 | 119 | 56.1 | -66.7 | -174.6 | 178 | -177.9 | 0 | 110.5 | | |
| 318 | S | 30.7 | Very low | 30.6 | Very low | 116 Ų | 116 | 138.6 Ų | 138.6 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | | | cis | -170.2 | 165.5 | 35.6 | 31.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 319 | P | 32.5 | Very low | 30.9 | Very low | 112 Ų | 112 | 140.2 Ų | 140.2 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | | | trans | -100.2 | 159.6 | -173.9 | 38.6 | -30.9 | 0 | 0 | 0 | 113.2 | | |
| 320 | L | 26.8 | Very low | 30.8 | Very low | 171 Ų | 171 | 135.8 Ų | 135.8 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | | | trans | 156.9 | 119.3 | 145.6 | -110.7 | 80.9 | 0 | 0 | 0 | 109.4 | | |
| 321 | A | 34.2 | Very low | 31.1 | Very low | 93 Ų | 93 | 137.8 Ų | 137.8 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | | | trans | -169.4 | 109.4 | 148.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 322 | S | 33 | Very low | 31.5 | Very low | 110 Ų | 110 | 140.8 Ų | 140.8 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | | | trans | 57.5 | 103.7 | 142.7 | 57.1 | 0 | 0 | 0 | 0 | 120.3 | | |
| 323 | E | 28.6 | Very low | 31.6 | Very low | 192 Ų | 192 | 134.8 Ų | 134.8 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | | | trans | -62.4 | 146.4 | 141.1 | -67.8 | 177.5 | 145.9 | 0 | 0 | 110.9 | | |
| 324 | P | 40.3 | Very low | 31.8 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | | | trans | -113.3 | 115.3 | 146 | 30.2 | -17.3 | 0 | 0 | 0 | 109.6 | | |
| 325 | S | 30.2 | Very low | 31.8 | Very low | 105 Ų | 105 | 133.4 Ų | 133.4 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | | | trans | -60.3 | 130.2 | 164.5 | 55 | 0 | 0 | 0 | 0 | 111 | | |
| 326 | F | 30.8 | Very low | 31.8 | Very low | 207 Ų | 207 | 132.9 Ų | 132.9 | 91% | 0.908 | 80% | 0.799 | S | S | * | * | | | trans | -125.6 | 110.2 | 156.1 | -157 | -97.5 | 0 | 0 | 0 | 108.7 | | |
| 327 | V | 33.2 | Very low | 32 | Very low | 115 Ų | 115 | 134 Ų | 134 | 70% | 0.697 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 128.5 | -177 | 174.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 328 | P | 36 | Very low | 32.1 | Very low | 104 Ų | 104 | 128.3 Ų | 128.3 | 68% | 0.675 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 150 | 172.8 | 30.5 | -33.1 | 0 | 0 | 0 | 111.3 | A330 | P328-A330 PolarHBondContact O-N 2.77Š|
| 329 | P | 35.2 | Very low | 32.2 | Very low | 132 Ų | 132 | 127.7 Ų | 127.7 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 124.5 | 178.7 | 29.6 | -31.9 | 0 | 0 | 0 | 110.5 | | |
| 330 | A | 28.7 | Very low | 32.1 | Very low | 84 Ų | 84 | 129.6 Ų | 129.6 | 69% | 0.694 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 136.8 | 153.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | P328 | P328-A330 PolarHBondContact O-N 2.77Š|
| 331 | D | 32.4 | Very low | 32.4 | Very low | 157 Ų | 157 | 129.8 Ų | 129.8 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | | | trans | 178.4 | 147.8 | 138 | -90.5 | -24.4 | 0 | 0 | 0 | 112.2 | | |
| 332 | V | 35.1 | Very low | 32.2 | Very low | 134 Ų | 134 | 135.2 Ų | 135.2 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | | | trans | 79.5 | 90.8 | 165.4 | -154.1 | 0 | 0 | 0 | 0 | 115.4 | | |
| 333 | A | 30.7 | Very low | 32.3 | Very low | 76 Ų | 76 | 138.5 Ų | 138.5 | 63% | 0.628 | 80% | 0.803 | S | S | * | * | | | | 67.6 | 121.8 | 64.4 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 334 | D | 30 | Very low | 32.6 | Very low | 157 Ų | 157 | 134.5 Ų | 134.5 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | | | trans | 71.4 | 104.7 | 151.6 | -54.4 | -22.9 | 0 | 0 | 0 | 120.6 | | |
| 335 | S | 32.6 | Very low | 32.4 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | | | | -163.1 | 103.4 | 126.3 | 21.3 | 0 | 0 | 0 | 0 | 110.4 | A337 | S335-A337 PolarHBondContact O-N 3.35Š|
| 336 | E | 29 | Very low | 32.6 | Very low | 205 Ų | 205 | 138.2 Ų | 138.2 | 96% | 0.958 | 80% | 0.797 | S | S | * | * | | | trans | -59.6 | 123.2 | 158.5 | -66.2 | -179.9 | 143.4 | 0 | 0 | 109.5 | | |
| 337 | A | 34.4 | Very low | 32.7 | Very low | 94 Ų | 94 | 136 Ų | 136 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | | | trans | -143.7 | 92.1 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | S335 | S335-A337 PolarHBondContact O-N 3.35Š|
| 338 | A | 30.5 | Very low | 32.5 | Very low | 88 Ų | 88 | 138 Ų | 138 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | trans | 41.4 | 101.7 | 139.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 339 | S | 32.1 | Very low | 32.6 | Very low | 102 Ų | 102 | 140.1 Ų | 140.1 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | | | | 4.1 | 120.8 | 123.7 | 57.5 | 0 | 0 | 0 | 0 | 116.5 | | |
| 340 | N | 30.6 | Very low | 32.5 | Very low | 153 Ų | 153 | 142.8 Ų | 142.8 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | 174.5 | 85.2 | 136.8 | -89.1 | -32.5 | 0 | 0 | 0 | 109.9 | | |
| 341 | L | 33.1 | Very low | 32.5 | Very low | 175 Ų | 175 | 144.7 Ų | 144.7 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | | | trans | -151.4 | 92.9 | 151.8 | -103 | 136.6 | 0 | 0 | 0 | 108.5 | Q343 | L341-Q343 PolarHBondContact O-N 2.98Š|
| 342 | K | 30.8 | Very low | 32.4 | Very low | 206 Ų | 206 | 141.7 Ų | 141.7 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | | | trans | -42.5 | 115.8 | 170.5 | -86.9 | 169 | 165.2 | 174 | 0 | 110.6 | | |
| 343 | Q | 33.6 | Very low | 32.6 | Very low | 179 Ų | 179 | 141.2 Ų | 141.2 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | | | trans | -72.6 | 128.7 | 157.9 | -72.6 | -175.3 | -34 | 0 | 0 | 108.4 | L341 S345 | L341-Q343 PolarHBondContact O-N 2.98Å; Q343-S345 PolarHBondContact O-N 3.03Å; Q343-S345 VanDerWaalsContact O-N 3.11Å |
| 344 | P | 35.8 | Very low | 32.6 | Very low | 109 Ų | 109 | 144 Ų | 144 | 71% | 0.708 | 82% | 0.819 | S | S | * | * | | | trans | -74.7 | 100.7 | 174.3 | 29.1 | -30.5 | 0 | 0 | 0 | 109.2 | F346 | P344-F346 HydrophobicContact CB-CD2 4.38Å; P344-F346 HydrophobicContact CB-CE2 4.38Å; P344-F346 PolarHBondContact O-N 3.23Å |
| 345 | S | 35.1 | Very low | 32.9 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 72% | 0.72 | 82% | 0.82 | S | S | * | * | | | trans | -74.3 | 104.3 | 160.5 | 53.7 | 0 | 0 | 0 | 0 | 108.3 | Q343 | Q343-S345 PolarHBondContact O-N 3.03Å; Q343-S345 VanDerWaalsContact O-N 3.11Å |
| 346 | F | 34.4 | Very low | 32.9 | Very low | 202 Ų | 202 | 143 Ų | 143 | 89% | 0.886 | 81% | 0.814 | S | S | * | * | | | trans | -88.6 | 106 | 162.2 | -87.9 | -80.9 | 0 | 0 | 0 | 108.8 | P344 | P344-F346 HydrophobicContact CB-CD2 4.38Å; P344-F346 HydrophobicContact CB-CE2 4.38Å; P344-F346 PolarHBondContact O-N 3.23Å |
| 347 | E | 33.1 | Very low | 33.1 | Very low | 162 Ų | 162 | 139.6 Ų | 139.6 | 76% | 0.757 | 80% | 0.802 | S | S | * | * | | | trans | -65.5 | 136.7 | 171.5 | -69.7 | 176.8 | 137.2 | 0 | 0 | 111.6 | V349 | E347-V349 PolarHBondContact O-N 3.45Š|
| 348 | N | 30.5 | Very low | 33 | Very low | 157 Ų | 157 | 146.5 Ų | 146.5 | 84% | 0.84 | 81% | 0.81 | S | S | * | * | | | trans | 27.3 | 84.6 | 134.1 | -72.9 | -26.9 | 0 | 0 | 0 | 117.4 | K350 | N348-K350 PolarHBondContact O-N 3.21Š|
| 349 | V | 36.5 | Very low | 33.1 | Very low | 147 Ų | 147 | 146.8 Ų | 146.8 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | | | trans | -84.2 | 112.6 | 153.6 | -178.5 | 0 | 0 | 0 | 0 | 108.5 | E347 | E347-V349 PolarHBondContact O-N 3.45Š|
| 350 | K | 33 | Very low | 33.5 | Very low | 189 Ų | 189 | 147.4 Ų | 147.4 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | | | trans | -42.6 | 133 | 178.4 | -73.1 | 163.7 | 172.8 | 172.1 | 0 | 114.5 | N348 | N348-K350 PolarHBondContact O-N 3.21Š|
| 351 | S | 29.4 | Very low | 33.6 | Very low | 123 Ų | 123 | 147.9 Ų | 147.9 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | | | trans | -63.9 | 129.3 | 154.6 | 27.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 352 | A | 29.9 | Very low | 33.9 | Very low | 94 Ų | 94 | 147.2 Ų | 147.2 | 78% | 0.777 | 81% | 0.813 | S | S | * | * | | | trans | -168 | 154.7 | 157.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 353 | P | 40.6 | Very low | 34.1 | Very low | 124 Ų | 124 | 146.5 Ų | 146.5 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | | | | -119.7 | 165.5 | -77.5 | 34.6 | -20.9 | 0 | 0 | 0 | 113.3 | A355 | P353-A355 PolarHBondContact O-N 3.33Š|
| 354 | V | 29.8 | Very low | 34 | Very low | 134 Ų | 134 | 143.6 Ų | 143.6 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | | | trans | -45.7 | 115.8 | 169.8 | 177.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 355 | A | 35.7 | Very low | 33.9 | Very low | 103 Ų | 103 | 145.4 Ų | 145.4 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | | | trans | -89.8 | 118.1 | 164 | 0 | 0 | 0 | 0 | 0 | 108.7 | P353 | P353-A355 PolarHBondContact O-N 3.33Š|
| 356 | Q | 33.1 | Very low | 34 | Very low | 155 Ų | 155 | 147.5 Ų | 147.5 | 72% | 0.724 | 82% | 0.818 | S | S | * | * | | | trans | -74.5 | 148.5 | 179.1 | -80.7 | 173.3 | -49.5 | 0 | 0 | 112.7 | | |
| 357 | D | 32.3 | Very low | 33.9 | Very low | 132 Ų | 132 | 145 Ų | 145 | 71% | 0.706 | 81% | 0.814 | S | S | * | * | | | trans | 55 | 94.7 | 135.9 | -52.3 | -23.6 | 0 | 0 | 0 | 119.4 | | |
| 358 | Y | 33.2 | Very low | 33.9 | Very low | 240 Ų | 240 | 142.9 Ų | 142.9 | 94% | 0.941 | 81% | 0.812 | S | S | * | * | | | trans | -139 | 81.3 | 142.8 | -88.3 | -83.2 | 0 | 0 | 0 | 109.1 | | |
| 359 | A | 33.7 | Very low | 34.1 | Very low | 93 Ų | 93 | 141.4 Ų | 141.4 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | | | trans | -96 | 117.3 | 160.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | D361 | A359-D361 PolarHBondContact O-N 3.39Š|
| 360 | P | 39.1 | Very low | 33.8 | Very low | 116 Ų | 116 | 141.1 Ų | 141.1 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | | | trans | -79.5 | 107.3 | 179.5 | 29.4 | -31 | 0 | 0 | 0 | 110.5 | L362 | P360-L362 PolarHBondContact O-N 2.96Š|
| 361 | D | 32.5 | Very low | 33.9 | Very low | 163 Ų | 163 | 137.5 Ų | 137.5 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | | | trans | -67.6 | 103.6 | 158.6 | -85.9 | -31.6 | 0 | 0 | 0 | 109.1 | A359 | A359-D361 PolarHBondContact O-N 3.39Š|
| 362 | L | 39 | Very low | 34.2 | Very low | 161 Ų | 161 | 140.6 Ų | 140.6 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | | | trans | -125.3 | 101.5 | 163.9 | -78 | 168 | 0 | 0 | 0 | 108.9 | P360 | P360-L362 PolarHBondContact O-N 2.96Š|
| 363 | K | 34.9 | Very low | 34.3 | Very low | 191 Ų | 191 | 142.9 Ų | 142.9 | 83% | 0.83 | 81% | 0.808 | S | S | * | * | | | trans | -66.2 | 146.9 | 172.9 | -74 | 176.3 | 175.9 | 176.1 | 0 | 111.4 | | |
| 364 | P | 33.4 | Very low | 33.9 | Very low | 118 Ų | 118 | 142.4 Ų | 142.4 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | | | trans | -91.7 | 125.7 | 170.6 | 34.2 | -27.5 | 0 | 0 | 0 | 110.5 | | |
| 365 | D | 32.1 | Very low | 34.1 | Very low | 147 Ų | 147 | 140.1 Ų | 140.1 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | | | trans | -161.3 | 100.9 | 164.5 | -85.5 | -37.7 | 0 | 0 | 0 | 107.3 | | |
| 366 | V | 37 | Very low | 33.8 | Very low | 146 Ų | 146 | 146.6 Ų | 146.6 | 89% | 0.885 | 81% | 0.808 | S | S | * | * | | | trans | -155.9 | 126.3 | 144.1 | -176.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 367 | D | 34.2 | Very low | 33.7 | Very low | 151 Ų | 151 | 142.9 Ų | 142.9 | 81% | 0.807 | 81% | 0.812 | S | S | * | * | | | trans | -65.3 | 147.2 | -168.1 | -60.5 | -72.1 | 0 | 0 | 0 | 116.8 | | |
| 368 | V | 32.3 | Very low | 33.7 | Very low | 116 Ų | 116 | 141.3 Ų | 141.3 | 70% | 0.703 | 82% | 0.817 | S | S | * | * | | | trans | -78.2 | 121.4 | 166.5 | 175.6 | 0 | 0 | 0 | 0 | 109.3 | N370 | V368-N370 PolarHBondContact O-N 2.94Š|
| 369 | P | 35.4 | Very low | 33.7 | Very low | 127 Ų | 127 | 135 Ų | 135 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | | | trans | -81 | 99.3 | 168.6 | 30.3 | -28.9 | 0 | 0 | 0 | 109.6 | | |
| 370 | N | 29.2 | Very low | 33.5 | Very low | 140 Ų | 140 | 140 Ų | 140 | 75% | 0.749 | 82% | 0.816 | S | S | * | * | | | trans | -82.8 | 150.8 | 161.5 | -91.1 | -27.4 | 0 | 0 | 0 | 110.3 | V368 | V368-N370 PolarHBondContact O-N 2.94Š|
| 371 | S | 34.6 | Very low | 33.2 | Very low | 114 Ų | 114 | 141.6 Ų | 141.6 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | | | trans | 84.6 | 98.4 | 166.5 | 77 | 0 | 0 | 0 | 0 | 117.5 | | |
| 372 | L | 36.2 | Very low | 33.3 | Very low | 187 Ų | 187 | 142.6 Ų | 142.6 | 98% | 0.979 | 82% | 0.816 | S | S | * | * | | | trans | -127.7 | 116.9 | 135.6 | -96.6 | 167.4 | 0 | 0 | 0 | 107.6 | | |
| 373 | D | 32.3 | Very low | 32.8 | Very low | 142 Ų | 142 | 145 Ų | 145 | 76% | 0.759 | 82% | 0.819 | S | S | * | * | | | trans | -98.8 | 140.1 | -168 | -157.1 | 20.5 | 0 | 0 | 0 | 109.9 | | |
| 374 | V | 32.8 | Very low | 32.9 | Very low | 114 Ų | 114 | 140.4 Ų | 140.4 | 69% | 0.691 | 82% | 0.818 | S | S | * | * | | | trans | 48.2 | 101 | 149.2 | -179.5 | 0 | 0 | 0 | 0 | 118.8 | R376 | V374-R376 HydrophobicContact CG1-CB 4.27Š|
| 375 | G | 32.5 | Very low | 32.8 | Very low | 86 Ų | 86 | 142 Ų | 142 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | | | trans | -115.1 | 89.1 | 154 | 0 | 0 | 0 | 0 | 0 | 110.5 | G377 | G375-G377 PolarHBondContact O-N 2.72Š|
| 376 | R | 30 | Very low | 32.7 | Very low | 239 Ų | 239 | 144.2 Ų | 144.2 | 90% | 0.902 | 83% | 0.825 | S | S | * | * | | | trans | -81.6 | 103.5 | 178.6 | -160.9 | -176.1 | -156.5 | 178.9 | 5.6 | 109 | V374 | V374-R376 HydrophobicContact CG1-CB 4.27Š|
| 377 | G | 32.2 | Very low | 32.8 | Very low | 77 Ų | 77 | 143 Ų | 143 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | | | trans | -113.5 | 94.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | G375 | G375-G377 PolarHBondContact O-N 2.72Š|
| 378 | A | 30.3 | Very low | 32.6 | Very low | 100 Ų | 100 | 141 Ų | 141 | 83% | 0.826 | 82% | 0.824 | S | S | * | * | | | trans | -89.5 | 126 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 379 | S | 34.8 | Very low | 32.7 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 76% | 0.755 | 83% | 0.829 | S | S | * | * | | | trans | -153.3 | 99.9 | 158.3 | 55.9 | 0 | 0 | 0 | 0 | 109 | | |
| 380 | E | 28.1 | Very low | 32.4 | Very low | 196 Ų | 196 | 143.7 Ų | 143.7 | 92% | 0.916 | 84% | 0.835 | S | S | * | * | | | trans | -61.4 | 127.5 | 160.7 | -66.8 | 169.4 | 136.2 | 0 | 0 | 109.1 | | |
| 381 | I | 34.2 | Very low | 32.4 | Very low | 151 Ų | 151 | 140.5 Ų | 140.5 | 77% | 0.774 | 84% | 0.835 | S | S | * | * | | | trans | -136.6 | 104.7 | 156.6 | -59.4 | -178.7 | 0 | 0 | 0 | 108 | | |
| 382 | E | 33.2 | Very low | 32.1 | Very low | 184 Ų | 184 | 140.2 Ų | 140.2 | 86% | 0.86 | 84% | 0.84 | S | S | * | * | | | trans | 30.1 | 128.2 | 140.4 | -69.8 | 179.3 | 143.9 | 0 | 0 | 122 | | |
| 383 | K | 29.2 | Very low | 31.9 | Very low | 210 Ų | 210 | 135.6 Ų | 135.6 | 91% | 0.913 | 83% | 0.829 | S | S | * | * | | | trans | -42 | 133.7 | 157.9 | -71.6 | 165.9 | 170.8 | 174.6 | 0 | 113.1 | | |
| 384 | A | 36.2 | Very low | 31.8 | Very low | 96 Ų | 96 | 136.1 Ų | 136.1 | 79% | 0.793 | 84% | 0.837 | S | S | * | * | | | trans | -129.9 | 105.1 | 156.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 385 | D | 32.7 | Very low | 31.7 | Very low | 150 Ų | 150 | 142 Ų | 142 | 80% | 0.802 | 85% | 0.847 | S | S | * | * | | | trans | 18 | 119.7 | 151.5 | -58.2 | -32 | 0 | 0 | 0 | 121 | P387 | D385-P387 WeakPolarHBondContact O-CD 3.48Š|
| 386 | E | 28.8 | Very low | 31.6 | Very low | 195 Ų | 195 | 141.8 Ų | 141.8 | 91% | 0.911 | 84% | 0.836 | S | S | * | * | | | trans | -61 | 134.3 | 151.9 | -80 | -179.5 | 134 | 0 | 0 | 111.5 | | |
| 387 | P | 39.2 | Very low | 31.7 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 77% | 0.773 | 83% | 0.83 | S | S | * | * | | | trans | -110.1 | 114.1 | 148.3 | 30.2 | -17.8 | 0 | 0 | 0 | 109.6 | D385 A389 | D385-P387 WeakPolarHBondContact O-CD 3.48Å; P387-A389 PolarHBondContact O-N 2.76Å |
| 388 | A | 29.8 | Very low | 31.8 | Very low | 109 Ų | 109 | 137 Ų | 137 | 90% | 0.901 | 83% | 0.83 | S | S | * | * | | | trans | -68.5 | 113 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 389 | A | 35.5 | Very low | 31.9 | Very low | 98 Ų | 98 | 139.5 Ų | 139.5 | 81% | 0.81 | 83% | 0.828 | S | S | * | * | | | trans | -135.5 | 107.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | P387 | P387-A389 PolarHBondContact O-N 2.76Š|
| 390 | Q | 28.9 | Very low | 32 | Very low | 203 Ų | 203 | 139.3 Ų | 139.3 | 95% | 0.949 | 82% | 0.824 | S | S | * | * | | | trans | -62.3 | 136.6 | 171 | -64.6 | 167 | -8.6 | 0 | 0 | 110 | | |
| 391 | G | 28.9 | Very low | 32.6 | Very low | 73 Ų | 73 | 135.5 Ų | 135.5 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | | | trans | -175.3 | 87 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A393 | G391-A393 PolarHBondContact O-N 3.37Š|
| 392 | A | 28.2 | Very low | 32.7 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 88% | 0.884 | 82% | 0.819 | S | S | * | * | | | trans | -60.2 | 116.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 393 | A | 32.5 | Very low | 32.8 | Very low | 91 Ų | 91 | 134.5 Ų | 134.5 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | | | trans | -139.3 | 93.4 | 158.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | G391 R395 | G391-A393 PolarHBondContact O-N 3.37Å; A393-R395 PolarHBondContact O-N 2.85Å |
| 394 | V | 29.6 | Very low | 33.1 | Very low | 153 Ų | 153 | 129.9 Ų | 129.9 | 93% | 0.927 | 81% | 0.808 | S | S | * | * | | | trans | -57.4 | 99.3 | 165.4 | 176.1 | 0 | 0 | 0 | 0 | 107.4 | | |
| 395 | R | 31.1 | Very low | 32.9 | Very low | 238 Ų | 238 | 134.2 Ų | 134.2 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | | | trans | -114.8 | 118 | 167.2 | -159.3 | 172.5 | -176.3 | -172.3 | -0.3 | 108 | A393 | A393-R395 PolarHBondContact O-N 2.85Š|
| 396 | A | 29.6 | Very low | 32.7 | Very low | 80 Ų | 80 | 138.1 Ų | 138.1 | 66% | 0.661 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 145.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A398 | A396-A398 PolarHBondContact O-N 2.93Š|
| 397 | P | 33.4 | Very low | 33 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 122.1 | -177.6 | 25.6 | -33.4 | 0 | 0 | 0 | 110 | I399 | P397-I399 PolarHBondContact O-N 3.02Š|
| 398 | A | 33.7 | Very low | 32.6 | Very low | 95 Ų | 95 | 131.1 Ų | 131.1 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 120.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | A396 P400 | A396-A398 PolarHBondContact O-N 2.93Å; A398-P400 WeakPolarHBondContact O-CD 3.41Å |
| 399 | I | 32.1 | Very low | 32.8 | Very low | 153 Ų | 153 | 131.9 Ų | 131.9 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 118.1 | 170.7 | -63.5 | 166.9 | 0 | 0 | 0 | 106.5 | P397 | P397-I399 PolarHBondContact O-N 3.02Š|
| 400 | P | 38 | Very low | 32.8 | Very low | 103 Ų | 103 | 136.2 Ų | 136.2 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 137.9 | 175.5 | 26.7 | -31.8 | 0 | 0 | 0 | 108.9 | A398 D402 | A398-P400 WeakPolarHBondContact O-CD 3.41Å; P400-D402 PolarHBondContact O-N 3.16Å |
| 401 | P | 40 | Very low | 32.8 | Very low | 117 Ų | 117 | 130 Ų | 130 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 121.9 | -179.5 | 26 | -32.2 | 0 | 0 | 0 | 110.3 | N403 | P401-N403 PolarHBondContact O-N 2.99Š|
| 402 | D | 36.6 | Very low | 33 | Very low | 154 Ų | 154 | 132 Ų | 132 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -57.2 | 104.3 | 158.8 | -68.5 | -37.1 | 0 | 0 | 0 | 107.5 | P400 | P400-D402 PolarHBondContact O-N 3.16Š|
| 403 | N | 35.4 | Very low | 32.9 | Very low | 159 Ų | 159 | 136.8 Ų | 136.8 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | | | trans | 179.6 | 67.4 | 159.4 | -86.4 | -18.8 | 0 | 0 | 0 | 108.2 | P401 | P401-N403 PolarHBondContact O-N 2.99Š|
| 404 | V | 34.9 | Very low | 32.8 | Very low | 114 Ų | 114 | 137.1 Ų | 137.1 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | | | trans | -109 | 92.7 | 158.7 | -176.7 | 0 | 0 | 0 | 0 | 105.4 | W406 | V404-W406 PolarHBondContact O-N 3.14Š|
| 405 | E | 31.9 | Very low | 32.9 | Very low | 186 Ų | 186 | 135.3 Ų | 135.3 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | | | trans | -55.1 | 104.6 | 159.6 | -89.3 | 177.5 | 146 | 0 | 0 | 107.1 | S407 | E405-S407 VanDerWaalsContact C-N 3.28Å; E405-S407 PolarHBondContact O-N 3.32Å |
| 406 | W | 29.3 | Very low | 32.8 | Very low | 232 Ų | 232 | 130.9 Ų | 130.9 | 88% | 0.879 | 76% | 0.759 | S | S | * | * | | | trans | -73.8 | 90.5 | 168.2 | -85.9 | 67.8 | 0 | 0 | 0 | 107.7 | V404 G408 | V404-W406 PolarHBondContact O-N 3.14Å; W406-G408 PolarHBondContact O-N 3.1Å |
| 407 | S | 35.3 | Very low | 32.9 | Very low | 118 Ų | 118 | 133.5 Ų | 133.5 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | | | trans | -69.2 | 75.4 | 161.8 | 57.9 | 0 | 0 | 0 | 0 | 108.7 | E405 | E405-S407 VanDerWaalsContact C-N 3.28Å; E405-S407 PolarHBondContact O-N 3.32Å |
| 408 | G | 29 | Very low | 32.9 | Very low | 49 Ų | 49 | 132 Ų | 132 | 51% | 0.505 | 75% | 0.752 | S | S | . | * | | | trans | -74.6 | 136.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | W406 E410 | W406-G408 PolarHBondContact O-N 3.1Å; G408-E410 PolarHBondContact O-N 2.89Å |
| 409 | P | 34.9 | Very low | 32.8 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | | | trans | -62.7 | 128.9 | -171.8 | 25.9 | -33.3 | 0 | 0 | 0 | 110.6 | A411 | P409-A411 PolarHBondContact O-N 2.94Š|
| 410 | E | 34.8 | Very low | 32.8 | Very low | 189 Ų | 189 | 134.9 Ų | 134.9 | 88% | 0.883 | 75% | 0.75 | S | S | * | * | | | trans | -53.8 | 97.5 | 170.8 | -65.3 | -178.1 | 161.6 | 0 | 0 | 108.9 | G408 S412 | G408-E410 PolarHBondContact O-N 2.89Å; E410-S412 VanDerWaalsContact C-N 3.26Å; E410-S412 PolarHBondContact O-N 3.11Å |
| 411 | A | 30 | Very low | 32.3 | Very low | 72 Ų | 72 | 140.9 Ų | 140.9 | 60% | 0.595 | 76% | 0.759 | S | S | * | * | | | trans | -70 | 92.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | P409 Y413 | P409-A411 PolarHBondContact O-N 2.94Å; A411-Y413 HydrophobicContact CB-CE2 4.28Å; A411-Y413 VanDerWaalsContact O-CD2 3.24Å; A411-Y413 WeakPolarHBondContact O-CD2 3.4Å; A411-Y413 PolarHBondContact O-N 3.17Å |
| 412 | S | 32.3 | Very low | 31.8 | Very low | 115 Ų | 115 | 144.7 Ų | 144.7 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | trans | -58.4 | 96.7 | 169.7 | 41.8 | 0 | 0 | 0 | 0 | 109.3 | E410 S414 | E410-S412 VanDerWaalsContact C-N 3.26Å; E410-S412 PolarHBondContact O-N 3.11Å; S412-S414 PolarHBondContact O-N 2.89Å; S412-S414 VanDerWaalsContact O-N 3.12Å |
| 413 | Y | 26.6 | Very low | 31.6 | Very low | 208 Ų | 208 | 146 Ų | 146 | 82% | 0.816 | 77% | 0.767 | S | S | * | * | | | trans | -71.5 | 101.2 | 166.9 | -75.6 | -86.7 | 0 | 0 | 0 | 108.1 | A411 T415 | A411-Y413 HydrophobicContact CB-CE2 4.28Å; A411-Y413 VanDerWaalsContact O-CD2 3.24Å; A411-Y413 WeakPolarHBondContact O-CD2 3.4Å; A411-Y413 PolarHBondContact O-N 3.17Å; Y413-T415 VanDerWaalsContact C-N 3.3Å; Y413-T415 PolarHBondContact O-N 2.7Å |
| 414 | S | 30.2 | Very low | 31.3 | Very low | 98 Ų | 98 | 145.4 Ų | 145.4 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | | | trans | -66.9 | 89.8 | 163.9 | 159.5 | 0 | 0 | 0 | 0 | 108.1 | S412 I416 | S412-S414 PolarHBondContact O-N 2.89Å; S412-S414 VanDerWaalsContact O-N 3.12Å; S414-I416 VanDerWaalsContact C-N 3.35Å; S414-I416 PolarHBondContact O-N 2.9Å |
| 415 | T | 31.5 | Very low | 31.3 | Very low | 115 Ų | 115 | 148 Ų | 148 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | trans | -66.6 | 99.8 | 163.8 | -55.9 | 0 | 0 | 0 | 0 | 106.8 | Y413 D417 | Y413-T415 VanDerWaalsContact C-N 3.3Å; Y413-T415 PolarHBondContact O-N 2.7Å; T415-D417 PolarHBondContact O-N 2.91Å |
| 416 | I | 29.2 | Very low | 31.2 | Very low | 145 Ų | 145 | 142.5 Ų | 142.5 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | | | trans | -67.8 | 102.8 | 170.7 | -64.1 | 169.2 | 0 | 0 | 0 | 105.6 | S414 P418 | S414-I416 VanDerWaalsContact C-N 3.35Å; S414-I416 PolarHBondContact O-N 2.9Å; I416-P418 WeakPolarHBondContact O-CD 3.43Å |
| 417 | D | 31 | Very low | 31.1 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | | | trans | -56.1 | 121.8 | 172.7 | -82.3 | -36.2 | 0 | 0 | 0 | 108.9 | T415 S419 | T415-D417 PolarHBondContact O-N 2.91Å; D417-S419 PolarHBondContact O-N 2.93Å |
| 418 | P | 33 | Very low | 31 | Very low | 90 Ų | 90 | 140.5 Ų | 140.5 | 58% | 0.584 | 76% | 0.763 | S | S | * | * | | | trans | -65.1 | 109.5 | 171.4 | 24.9 | -29.2 | 0 | 0 | 0 | 107.5 | I416 Y420 | I416-P418 WeakPolarHBondContact O-CD 3.43Å; P418-Y420 VanDerWaalsContact C-N 3.34Å; P418-Y420 HydrophobicContact CG-CE2 4.17Å; P418-Y420 WeakPolarHBondContact O-CD2 3.46Å; P418-Y420 PolarHBondContact O-N 3.06Å |
| 419 | S | 32.4 | Very low | 31.2 | Very low | 101 Ų | 101 | 145.4 Ų | 145.4 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | trans | -54.8 | 96.4 | 171.2 | 54.8 | 0 | 0 | 0 | 0 | 109.4 | D417 W421 | D417-S419 PolarHBondContact O-N 2.93Å; S419-W421 PolarHBondContact O-N 3.24Å |
| 420 | Y | 32.3 | Very low | 30.8 | Very low | 208 Ų | 208 | 142.9 Ų | 142.9 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | | | trans | -64.3 | 121.5 | 166.9 | -76.5 | -87.5 | 0 | 0 | 0 | 107.7 | P418 K422 | P418-Y420 VanDerWaalsContact C-N 3.34Å; P418-Y420 HydrophobicContact CG-CE2 4.17Å; P418-Y420 WeakPolarHBondContact O-CD2 3.46Å; P418-Y420 PolarHBondContact O-N 3.06Å; Y420-K422 PolarHBondContact O-N 2.84Å |
| 421 | W | 27.5 | Very low | 30.5 | Very low | 229 Ų | 229 | 142.2 Ų | 142.2 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | | | trans | -56.6 | 120.6 | 178.1 | -71.8 | 65.3 | 0 | 0 | 0 | 109 | S419 M423 | S419-W421 PolarHBondContact O-N 3.24Å; W421-M423 PolarHBondContact O-N 3.44Å |
| 422 | K | 28.6 | Very low | 30.4 | Very low | 197 Ų | 197 | 149.1 Ų | 149.1 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | | | trans | -49.9 | 99.1 | 166.2 | -90.2 | 177.2 | 167 | 178.8 | 0 | 108.9 | Y420 N424 | Y420-K422 PolarHBondContact O-N 2.84Å; K422-N424 PolarHBondContact O-N 2.88Å |
| 423 | M | 32.7 | Very low | 30.3 | Very low | 182 Ų | 182 | 146.6 Ų | 146.6 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | | | trans | -79.9 | 111.9 | 159.8 | -72 | -171.3 | -170.1 | 0 | 0 | 106.6 | W421 | W421-M423 PolarHBondContact O-N 3.44Š|
| 424 | N | 30.8 | Very low | 30.4 | Very low | 145 Ų | 145 | 143 Ų | 143 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | | | trans | -54.9 | 145.9 | -175.7 | -72.4 | -39 | 0 | 0 | 0 | 112.9 | K422 G426 | K422-N424 PolarHBondContact O-N 2.88Å; N424-G426 PolarHBondContact O-N 3.26Å |
| 425 | D | 33.1 | Very low | 30.3 | Very low | 168 Ų | 168 | 143 Ų | 143 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | | | trans | -50.4 | 111.4 | 175.5 | -56.2 | -55.7 | 0 | 0 | 0 | 112.4 | | |
| 426 | G | 30.1 | Very low | 30.2 | Very low | 71 Ų | 71 | 145.2 Ų | 145.2 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | | | trans | -116.1 | 73.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | N424 | N424-G426 PolarHBondContact O-N 3.26Š|
| 427 | I | 28.7 | Very low | 30.2 | Very low | 143 Ų | 143 | 145.3 Ų | 145.3 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | | | trans | 60.1 | 100.4 | 146.8 | -54.9 | 162.7 | 0 | 0 | 0 | 117.2 | N429 | I427-N429 PolarHBondContact O-N 3.49Š|
| 428 | D | 32.9 | Very low | 30.2 | Very low | 166 Ų | 166 | 147.4 Ų | 147.4 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | | | trans | -49.3 | 106.9 | 152.9 | -79.9 | -39.8 | 0 | 0 | 0 | 111.9 | | |
| 429 | N | 33.4 | Very low | 30 | Very low | 152 Ų | 152 | 149 Ų | 149 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | | | trans | -103.6 | 103.1 | 157.6 | -80.3 | -25.9 | 0 | 0 | 0 | 108.4 | I427 | I427-N429 PolarHBondContact O-N 3.49Š|
| 430 | G | 26 | Very low | 29.8 | Very low | 71 Ų | 71 | 146.6 Ų | 146.6 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | | | trans | -63.7 | 150.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 431 | L | 28.2 | Very low | 29.5 | Very low | 176 Ų | 176 | 145.8 Ų | 145.8 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | | | trans | -138.3 | 91.3 | 145.7 | -106 | 154.9 | 0 | 0 | 0 | 107.5 | G433 | L431-G433 PolarHBondContact O-N 2.96Š|
| 432 | K | 28.1 | Very low | 29.7 | Very low | 217 Ų | 217 | 140.7 Ų | 140.7 | 94% | 0.943 | 80% | 0.8 | S | S | * | * | | | trans | -57.3 | 114.6 | 159.3 | -93.5 | 172.6 | 169.8 | 172 | 0 | 108 | | |
| 433 | G | 29.3 | Very low | 29.8 | Very low | 61 Ų | 61 | 140.5 Ų | 140.5 | 63% | 0.629 | 80% | 0.799 | S | S | * | * | | | trans | -150.2 | 75.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L431 | L431-G433 PolarHBondContact O-N 2.96Š|
| 434 | T | 29.4 | Very low | 29.6 | Very low | 134 Ų | 134 | 143.7 Ų | 143.7 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | | | trans | 45.5 | 104.7 | 149 | 53.8 | 0 | 0 | 0 | 0 | 118.6 | Q436 | T434-Q436 PolarHBondContact O-N 3.3Š|
| 435 | A | 28.7 | Very low | 29.7 | Very low | 97 Ų | 97 | 140.8 Ų | 140.8 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | | | trans | -48.1 | 117.1 | 154.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 436 | Q | 27.9 | Very low | 29.6 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | | | trans | -110.8 | 102.1 | 167.3 | -145.3 | 173.4 | 26 | 0 | 0 | 106.7 | T434 F438 | T434-Q436 PolarHBondContact O-N 3.3Å; Q436-F438 HydrophobicContact CG-CE2 4.46Å; Q436-F438 PolarHBondContact O-N 3.36Å; Q436-F438 VanDerWaalsContact O-N 3.08Å |
| 437 | D | 29.9 | Very low | 29.5 | Very low | 148 Ų | 148 | 144 Ų | 144 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | | | trans | -59.4 | 104.9 | 175 | -66 | -45.5 | 0 | 0 | 0 | 109.8 | | |
| 438 | F | 30.3 | Very low | 29.6 | Very low | 179 Ų | 179 | 142 Ų | 142 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | -104.7 | 74.6 | 159.5 | -87.4 | -84.3 | 0 | 0 | 0 | 108.6 | Q436 G440 | Q436-F438 HydrophobicContact CG-CE2 4.46Å; Q436-F438 PolarHBondContact O-N 3.36Å; Q436-F438 VanDerWaalsContact O-N 3.08Å; F438-G440 PolarHBondContact O-N 3.02Å |
| 439 | S | 29.6 | Very low | 29.6 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | | | trans | -72.4 | 73.1 | 157.1 | 62.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 440 | G | 27.9 | Very low | 29.6 | Very low | 50 Ų | 50 | 141 Ų | 141 | 52% | 0.515 | 78% | 0.777 | S | S | . | * | | | trans | -120.2 | 97.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | F438 T442 | F438-G440 PolarHBondContact O-N 3.02Å; G440-T442 VanDerWaalsContact C-N 3.32Å; G440-T442 PolarHBondContact O-N 2.98Å |
| 441 | E | 27.4 | Very low | 29.6 | Very low | 191 Ų | 191 | 147.3 Ų | 147.3 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | | | trans | -57.9 | 86.1 | 176.4 | -63.4 | 177.9 | 158.9 | 0 | 0 | 111.4 | K443 | E441-K443 PolarHBondContact O-N 3.38Å; E441-K443 VanDerWaalsContact O-N 3.1Å |
| 442 | T | 31.2 | Very low | 29.7 | Very low | 123 Ų | 123 | 148.2 Ų | 148.2 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | | | trans | -79.1 | 95.5 | 163.9 | 41 | 0 | 0 | 0 | 0 | 108.3 | G440 W444 | G440-T442 VanDerWaalsContact C-N 3.32Å; G440-T442 PolarHBondContact O-N 2.98Å; T442-W444 PolarHBondContact O-N 3.31Å; T442-W444 VanDerWaalsContact O-N 3.15Å |
| 443 | K | 30.6 | Very low | 30 | Very low | 192 Ų | 192 | 147.5 Ų | 147.5 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | | | trans | -39.8 | 117.2 | 161.2 | -70.9 | 174.9 | 177.1 | 174.1 | 0 | 109.3 | E441 A445 | E441-K443 PolarHBondContact O-N 3.38Å; E441-K443 VanDerWaalsContact O-N 3.1Å; K443-A445 VanDerWaalsContact C-N 3.3Å; K443-A445 PolarHBondContact O-N 2.75Å |
| 444 | W | 28.2 | Very low | 30.1 | Very low | 250 Ų | 250 | 149.5 Ų | 149.5 | 95% | 0.947 | 77% | 0.771 | S | S | * | * | | | trans | -64 | 89.5 | 174.8 | -65.3 | 81.2 | 0 | 0 | 0 | 109.3 | T442 N446 | T442-W444 PolarHBondContact O-N 3.31Å; T442-W444 VanDerWaalsContact O-N 3.15Å; W444-N446 PolarHBondContact O-N 2.86Å; W444-N446 VanDerWaalsContact O-N 3.09Å |
| 445 | A | 32.3 | Very low | 30.4 | Very low | 84 Ų | 84 | 153 Ų | 153 | 69% | 0.694 | 78% | 0.775 | S | S | * | * | | | trans | -74.4 | 95 | 167.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | K443 E447 | K443-A445 VanDerWaalsContact C-N 3.3Å; K443-A445 PolarHBondContact O-N 2.75Å; A445-E447 VanDerWaalsContact C-N 3.28Å; A445-E447 PolarHBondContact O-N 2.95Å |
| 446 | N | 31.3 | Very low | 30.5 | Very low | 144 Ų | 144 | 150.9 Ų | 150.9 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | | | trans | -69 | 81 | 175.3 | -155.9 | -7.9 | 0 | 0 | 0 | 109.1 | W444 | W444-N446 PolarHBondContact O-N 2.86Å; W444-N446 VanDerWaalsContact O-N 3.09Å |
| 447 | E | 28.7 | Very low | 30.5 | Very low | 163 Ų | 163 | 148.2 Ų | 148.2 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | | | trans | -104.1 | 84.2 | 178.1 | -72.7 | -162.2 | 173.4 | 0 | 0 | 112.3 | A445 | A445-E447 VanDerWaalsContact C-N 3.28Å; A445-E447 PolarHBondContact O-N 2.95Å |
| 448 | P | 29.7 | Very low | 30.6 | Very low | 99 Ų | 99 | 148.6 Ų | 148.6 | 64% | 0.643 | 76% | 0.762 | S | S | * | * | | | trans | -118.5 | 23.5 | 135.5 | 34.8 | -28.5 | 0 | 0 | 0 | 111.5 | R450 | P448-R450 PolarHBondContact O-N 3.18Å; P448-R450 VanDerWaalsContact O-N 3.11Å |
| 449 | A | 34.3 | Very low | 30.4 | Very low | 74 Ų | 74 | 144.2 Ų | 144.2 | 61% | 0.612 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -67.3 | -1.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114 | W451 K452 | A449-W451 PolarHBondContact O-N 3.34Å; A449-W451 VanDerWaalsContact O-N 3.11Å; A449-K452 PolarHBondContact O-N 3.16Å |
| 450 | R | 33 | Very low | 30.4 | Very low | 224 Ų | 224 | 143.4 Ų | 143.4 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -75.8 | 5.4 | -177 | -148.2 | 175.6 | 173.8 | -161.1 | -2.4 | 114.9 | P448 | P448-R450 PolarHBondContact O-N 3.18Å; P448-R450 VanDerWaalsContact O-N 3.11Å |
| 451 | W | 25.5 | Very low | 30.6 | Very low | 204 Ų | 204 | 147.4 Ų | 147.4 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -116.2 | 22.1 | 175.4 | -61.7 | 74.9 | 0 | 0 | 0 | 113.9 | A449 R453 | A449-W451 PolarHBondContact O-N 3.34Å; A449-W451 VanDerWaalsContact O-N 3.11Å; W451-R453 PolarHBondContact O-N 3.36Å |
| 452 | K | 29.8 | Very low | 30.6 | Very low | 195 Ų | 195 | 141 Ų | 141 | 85% | 0.848 | 75% | 0.747 | S | S | * | * | | | trans | -71.4 | 74.1 | 155.3 | -82.1 | -173.2 | 176.1 | 179.5 | 0 | 109.2 | A449 S454 | A449-K452 PolarHBondContact O-N 3.16Å; K452-S454 VanDerWaalsContact C-N 3.3Å; K452-S454 PolarHBondContact O-N 3.18Å |
| 453 | R | 34.9 | Very low | 30.4 | Very low | 202 Ų | 202 | 142.8 Ų | 142.8 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | | | trans | -68.1 | 101 | 156.3 | -75.4 | -172.9 | -174.2 | 172.1 | 3.1 | 106.3 | W451 F455 | W451-R453 PolarHBondContact O-N 3.36Å; R453-F455 PolarHBondContact O-N 2.88Å |
| 454 | S | 31.6 | Very low | 30.3 | Very low | 103 Ų | 103 | 142.6 Ų | 142.6 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | | | trans | -37.1 | 108.9 | 161 | 160.6 | 0 | 0 | 0 | 0 | 109.3 | K452 G456 | K452-S454 VanDerWaalsContact C-N 3.3Å; K452-S454 PolarHBondContact O-N 3.18Å; S454-G456 PolarHBondContact O-N 3.38Å; S454-G456 PolarHBondContact OG-N 2.86Å |
| 455 | F | 36.4 | Very low | 30.5 | Very low | 207 Ų | 207 | 139.4 Ų | 139.4 | 91% | 0.908 | 74% | 0.744 | S | S | * | * | | | trans | -64.1 | 89.9 | 152.3 | -70.1 | -81.9 | 0 | 0 | 0 | 105.2 | R453 S457 | R453-F455 PolarHBondContact O-N 2.88Å; F455-S457 PolarHBondContact O-N 3.32Å |
| 456 | G | 29.6 | Very low | 30.6 | Very low | 53 Ų | 53 | 140 Ų | 140 | 55% | 0.546 | 75% | 0.749 | S | S | . | * | | | trans | -55.3 | 108.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 105.8 | S454 I458 | S454-G456 PolarHBondContact O-N 3.38Å; S454-G456 PolarHBondContact OG-N 2.86Å; G456-I458 VanDerWaalsContact C-N 3.33Å; G456-I458 PolarHBondContact O-N 2.96Å |
| 457 | S | 27.9 | Very low | 30.5 | Very low | 105 Ų | 105 | 136.8 Ų | 136.8 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | | | trans | -53.3 | 103.3 | 167.7 | -175.7 | 0 | 0 | 0 | 0 | 106.3 | F455 S459 | F455-S457 PolarHBondContact O-N 3.32Å; S457-S459 PolarHBondContact O-N 3.25Å |
| 458 | I | 32.7 | Very low | 30.8 | Very low | 156 Ų | 156 | 137 Ų | 137 | 80% | 0.8 | 74% | 0.744 | S | S | * | * | | | trans | -76.8 | 76.9 | 162.2 | -47.1 | 170.1 | 0 | 0 | 0 | 103.7 | G456 S460 | G456-I458 VanDerWaalsContact C-N 3.33Å; G456-I458 PolarHBondContact O-N 2.96Å; I458-S460 PolarHBondContact O-N 3.42Å |
| 459 | S | 25.8 | Very low | 30.9 | Very low | 87 Ų | 87 | 139.9 Ų | 139.9 | 61% | 0.608 | 75% | 0.749 | S | S | * | * | | | trans | -55.6 | 118.1 | 166 | 53.5 | 0 | 0 | 0 | 0 | 107 | S457 V461 | S457-S459 PolarHBondContact O-N 3.25Å; S459-V461 PolarHBondContact O-N 2.93Å; S459-V461 VanDerWaalsContact O-N 3.16Å |
| 460 | S | 29.1 | Very low | 30.7 | Very low | 106 Ų | 106 | 144.2 Ų | 144.2 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | | | trans | 10.7 | 92.2 | 159.5 | 65.3 | 0 | 0 | 0 | 0 | 115 | I458 G462 | I458-S460 PolarHBondContact O-N 3.42Å; S460-G462 VanDerWaalsContact C-N 3.25Å; S460-G462 PolarHBondContact O-N 3.46Å; S460-G462 VanDerWaalsContact O-N 3.08Å |
| 461 | V | 32.9 | Very low | 30.8 | Very low | 134 Ų | 134 | 141.9 Ų | 141.9 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | | | trans | -68.6 | 102.9 | 145.5 | -178.9 | 0 | 0 | 0 | 0 | 103.9 | S459 M463 | S459-V461 PolarHBondContact O-N 2.93Å; S459-V461 VanDerWaalsContact O-N 3.16Å; V461-M463 PolarHBondContact O-N 2.92Å |
| 462 | G | 27.4 | Very low | 31.1 | Very low | 56 Ų | 56 | 138.4 Ų | 138.4 | 58% | 0.577 | 76% | 0.762 | S | S | * | * | | | trans | -51.1 | 129.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | S460 Q464 | S460-G462 VanDerWaalsContact C-N 3.25Å; S460-G462 PolarHBondContact O-N 3.46Å; S460-G462 VanDerWaalsContact O-N 3.08Å; G462-Q464 PolarHBondContact O-N 3.33Å |
| 463 | M | 27 | Very low | 31 | Very low | 161 Ų | 161 | 132.6 Ų | 132.6 | 79% | 0.793 | 76% | 0.757 | S | S | * | * | | | trans | -63.7 | 96.4 | 161.2 | -64.9 | -138.3 | -57.1 | 0 | 0 | 106.1 | V461 F465 | V461-M463 PolarHBondContact O-N 2.92Å; M463-F465 VanDerWaalsContact C-N 3.28Å; M463-F465 WeakPolarHBondContact O-CD2 3.49Å; M463-F465 PolarHBondContact O-N 2.76Å |
| 464 | Q | 29.3 | Very low | 30.7 | Very low | 188 Ų | 188 | 126.3 Ų | 126.3 | 88% | 0.879 | 76% | 0.756 | S | S | * | * | | | trans | -64.8 | 99.2 | 168.9 | -163.5 | 170.9 | 9.7 | 0 | 0 | 105 | G462 A466 | G462-Q464 PolarHBondContact O-N 3.33Å; Q464-A466 PolarHBondContact O-N 2.93Å |
| 465 | F | 32 | Very low | 30.7 | Very low | 182 Ų | 182 | 128.9 Ų | 128.9 | 80% | 0.798 | 77% | 0.766 | S | S | * | * | | | trans | -50.6 | 110.2 | 171.7 | -71.6 | -89.3 | 0 | 0 | 0 | 106.9 | M463 S467 | M463-F465 VanDerWaalsContact C-N 3.28Å; M463-F465 WeakPolarHBondContact O-CD2 3.49Å; M463-F465 PolarHBondContact O-N 2.76Å; F465-S467 PolarHBondContact O-N 2.82Å |
| 466 | A | 34 | Very low | 30.5 | Very low | 96 Ų | 96 | 127.5 Ų | 127.5 | 79% | 0.793 | 76% | 0.763 | S | S | * | * | | | trans | -58.6 | 105.2 | 156.7 | 0 | 0 | 0 | 0 | 0 | 104.4 | Q464 | Q464-A466 PolarHBondContact O-N 2.93Š|
| 467 | S | 28.6 | Very low | 30.8 | Very low | 78 Ų | 78 | 129.3 Ų | 129.3 | 55% | 0.545 | 77% | 0.772 | S | S | . | * | | | trans | -45.9 | 142.2 | -177.9 | 48.1 | 0 | 0 | 0 | 0 | 111.3 | F465 Q469 | F465-S467 PolarHBondContact O-N 2.82Å; S467-Q469 PolarHBondContact O-N 3.04Å |
| 468 | D | 35.6 | Very low | 30.8 | Very low | 167 Ų | 167 | 130.6 Ų | 130.6 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | | | trans | -63.8 | 53 | 166.8 | -65.7 | -40.6 | 0 | 0 | 0 | 112 | Q470 | D468-Q470 PolarHBondContact O-N 3.08Š|
| 469 | Q | 32.1 | Very low | 31 | Very low | 159 Ų | 159 | 128.4 Ų | 128.4 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | | | trans | -72.4 | 85.2 | 166.8 | -87.9 | -174.4 | -6.3 | 0 | 0 | 108.1 | S467 L471 | S467-Q469 PolarHBondContact O-N 3.04Å; Q469-L471 PolarHBondContact O-N 3.29Å |
| 470 | Q | 29.8 | Very low | 31.3 | Very low | 166 Ų | 166 | 129.3 Ų | 129.3 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | | | | 26.7 | 74.3 | 127.3 | -67.8 | 177.8 | -11.6 | 0 | 0 | 114.7 | D468 T472 | D468-Q470 PolarHBondContact O-N 3.08Å; Q470-T472 PolarHBondContact O-N 2.92Å |
| 471 | L | 35.6 | Very low | 31.5 | Very low | 174 Ų | 174 | 129.2 Ų | 129.2 | 91% | 0.911 | 78% | 0.777 | S | S | * | * | | | trans | -93.1 | 57.1 | 149.5 | -67.7 | 176.6 | 0 | 0 | 0 | 108.4 | Q469 G473 | Q469-L471 PolarHBondContact O-N 3.29Å; L471-G473 VanDerWaalsContact C-N 3.29Å; L471-G473 PolarHBondContact O-N 3.35Å |
| 472 | T | 32.2 | Very low | 31.5 | Very low | 131 Ų | 131 | 130.1 Ų | 130.1 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | trans | -83.1 | 80.2 | 157.6 | 47.1 | 0 | 0 | 0 | 0 | 107.2 | Q470 | Q470-T472 PolarHBondContact O-N 2.92Š|
| 473 | G | 26.9 | Very low | 32.1 | Very low | 73 Ų | 73 | 132.9 Ų | 132.9 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | | | trans | -172.8 | 106.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | L471 | L471-G473 VanDerWaalsContact C-N 3.29Å; L471-G473 PolarHBondContact O-N 3.35Å |
| 474 | G | 28.3 | Very low | 32.3 | Very low | 71 Ų | 71 | 134.2 Ų | 134.2 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | | | trans | 121.4 | 55.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | E476 | G474-E476 PolarHBondContact O-N 3.29Å; G474-E476 VanDerWaalsContact O-N 3.14Å |
| 475 | V | 31.1 | Very low | 32.4 | Very low | 156 Ų | 156 | 129.7 Ų | 129.7 | 95% | 0.945 | 78% | 0.78 | S | S | * | * | | | trans | -76.4 | 81.2 | 148 | 179.9 | 0 | 0 | 0 | 0 | 105.8 | | |
| 476 | E | 33.6 | Very low | 32.4 | Very low | 179 Ų | 179 | 125.9 Ų | 125.9 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | | | trans | -123.6 | 119.9 | 168.6 | -91.5 | -166 | 162.7 | 0 | 0 | 110.5 | G474 | G474-E476 PolarHBondContact O-N 3.29Å; G474-E476 VanDerWaalsContact O-N 3.14Å |
| 477 | A | 34.3 | Very low | 32.1 | Very low | 90 Ų | 90 | 129.4 Ų | 129.4 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | | | trans | 57.3 | 96.9 | 153.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | P479 | A477-P479 VanDerWaalsContact O-CD 3.29Å; A477-P479 WeakPolarHBondContact O-CD 3.42Å |
| 478 | V | 28.4 | Very low | 32.5 | Very low | 132 Ų | 132 | 132 Ų | 132 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | | | trans | -61 | 132 | 142.7 | 172.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 479 | P | 37.6 | Very low | 32.4 | Very low | 110 Ų | 110 | 127.7 Ų | 127.7 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | | | trans | -119 | 106.8 | 133.2 | 28 | -17.5 | 0 | 0 | 0 | 109 | A477 S481 | A477-P479 VanDerWaalsContact O-CD 3.29Å; A477-P479 WeakPolarHBondContact O-CD 3.42Å; P479-S481 PolarHBondContact O-N 2.78Å |
| 480 | S | 31.8 | Very low | 32.2 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | | | trans | -64.1 | 93.6 | 162.5 | 49.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 481 | S | 33.7 | Very low | 32 | Very low | 104 Ų | 104 | 128 Ų | 128 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | trans | -111.9 | 78.6 | 163.1 | 47.7 | 0 | 0 | 0 | 0 | 108.7 | P479 P483 | P479-S481 PolarHBondContact O-N 2.78Å; S481-P483 WeakPolarHBondContact O-CD 3.45Å |
| 482 | L | 33.5 | Very low | 31.6 | Very low | 153 Ų | 153 | 123.2 Ų | 123.2 | 80% | 0.801 | 79% | 0.788 | S | S | * | * | | | trans | -60.4 | 124.2 | 155.4 | -74.7 | 166.1 | 0 | 0 | 0 | 107.3 | M484 | L482-M484 VanDerWaalsContact C-N 3.29Å; L482-M484 PolarHBondContact O-N 2.79Å |
| 483 | P | 39 | Very low | 31.6 | Very low | 114 Ų | 114 | 124.3 Ų | 124.3 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | | | trans | -68.4 | 96.4 | 162.4 | 27.4 | -29.3 | 0 | 0 | 0 | 107.8 | S481 S485 | S481-P483 WeakPolarHBondContact O-CD 3.45Å; P483-S485 PolarHBondContact O-N 3.36Å |
| 484 | M | 30.4 | Very low | 32 | Very low | 188 Ų | 188 | 129 Ų | 129 | 93% | 0.926 | 79% | 0.794 | S | S | * | * | | | trans | -68.3 | 70.7 | 159.8 | -78.5 | -90.5 | -74.1 | 0 | 0 | 108.4 | L482 | L482-M484 VanDerWaalsContact C-N 3.29Å; L482-M484 PolarHBondContact O-N 2.79Å |
| 485 | S | 32.1 | Very low | 32.5 | Very low | 93 Ų | 93 | 131.8 Ų | 131.8 | 65% | 0.65 | 79% | 0.792 | S | S | * | * | | | trans | -106.7 | 96.6 | 169.9 | 61.3 | 0 | 0 | 0 | 0 | 109.6 | P483 | P483-S485 PolarHBondContact O-N 3.36Š|
| 486 | S | 33 | Very low | 32.8 | Very low | 103 Ų | 103 | 130.9 Ų | 130.9 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | | | trans | 45.1 | 101.2 | 149 | 60.2 | 0 | 0 | 0 | 0 | 117.4 | P488 | S486-P488 WeakPolarHBondContact O-CD 3.19Š|
| 487 | M | 26.3 | Very low | 33.1 | Very low | 170 Ų | 170 | 133.1 Ų | 133.1 | 84% | 0.837 | 79% | 0.79 | S | S | * | * | | | trans | -52.3 | 125.8 | 147.6 | -67.8 | -171.1 | -40.3 | 0 | 0 | 109.3 | A489 | M487-A489 VanDerWaalsContact C-N 3.26Å; M487-A489 PolarHBondContact O-N 2.98Å |
| 488 | P | 36.5 | Very low | 32.9 | Very low | 132 Ų | 132 | 132.8 Ų | 132.8 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | | | trans | -72.1 | 94.8 | 151.3 | 3.4 | 14.9 | 0 | 0 | 0 | 106 | S486 | S486-P488 WeakPolarHBondContact O-CD 3.19Š|
| 489 | A | 33.9 | Very low | 33 | Very low | 77 Ų | 77 | 128.8 Ų | 128.8 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | | | trans | -64.9 | 134.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | M487 | M487-A489 VanDerWaalsContact C-N 3.26Å; M487-A489 PolarHBondContact O-N 2.98Å |
| 490 | R | 27.8 | Very low | 33.2 | Very low | 244 Ų | 244 | 129.6 Ų | 129.6 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 80.8 | 105.2 | 146.7 | -145.3 | 173.3 | -166.9 | 167.6 | 2 | 117.1 | | |
| 491 | G | 26 | Very low | 33.5 | Very low | 88 Ų | 88 | 132 Ų | 132 | 91% | 0.907 | 79% | 0.789 | S | S | * | * | | | trans | 42.2 | 87.3 | 134.5 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 492 | G | 28.2 | Very low | 34.1 | Very low | 73 Ų | 73 | 132.7 Ų | 132.7 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | | | trans | -132.6 | 114.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 493 | I | 31.7 | Very low | 34.4 | Very low | 154 Ų | 154 | 130.6 Ų | 130.6 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | | | trans | -37.1 | 130.8 | 173.8 | -69 | 143.5 | 0 | 0 | 0 | 112.8 | D495 | I493-D495 VanDerWaalsContact C-N 3.28Å; I493-D495 PolarHBondContact O-N 2.95Å |
| 494 | L | 35.5 | Very low | 34.6 | Very low | 170 Ų | 170 | 129.5 Ų | 129.5 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | | | trans | 6.9 | 60.1 | 140.9 | -146.4 | 91.4 | 0 | 0 | 0 | 118 | T496 | L494-T496 PolarHBondContact O-N 2.97Š|
| 495 | D | 38.1 | Very low | 35 | Very low | 130 Ų | 130 | 128.9 Ų | 128.9 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | | | trans | -85.6 | 110.4 | 163.1 | -83.1 | -24.3 | 0 | 0 | 0 | 108.6 | I493 Y497 | I493-D495 VanDerWaalsContact C-N 3.28Å; I493-D495 PolarHBondContact O-N 2.95Å; D495-Y497 VanDerWaalsContact O-CD2 3.31Å; D495-Y497 WeakPolarHBondContact O-CD2 3.29Å; D495-Y497 PolarHBondContact O-N 3.26Å |
| 496 | T | 38 | Very low | 35.4 | Very low | 138 Ų | 138 | 128.8 Ų | 128.8 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | | | trans | -25.6 | 90 | 157.3 | 21.1 | 0 | 0 | 0 | 0 | 113.3 | L494 G498 | L494-T496 PolarHBondContact O-N 2.97Å; T496-G498 PolarHBondContact O-N 3.23Å |
| 497 | Y | 40 | Very low | 35.9 | Very low | 226 Ų | 226 | 131.6 Ų | 131.6 | 89% | 0.886 | 79% | 0.791 | S | S | * | * | | | trans | -75.3 | 82.2 | 158.1 | -79 | -85.5 | 0 | 0 | 0 | 108.1 | D495 G499 | D495-Y497 VanDerWaalsContact O-CD2 3.31Å; D495-Y497 WeakPolarHBondContact O-CD2 3.29Å; D495-Y497 PolarHBondContact O-N 3.26Å; Y497-G499 PolarHBondContact O-N 3.21Å |
| 498 | G | 29.5 | Very low | 36.4 | Very low | 82 Ų | 82 | 129.6 Ų | 129.6 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | | | trans | -69.8 | 67 | 154.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | T496 | T496-G498 PolarHBondContact O-N 3.23Š|
| 499 | G | 30.8 | Very low | 36.8 | Very low | 48 Ų | 48 | 129 Ų | 129 | 50% | 0.495 | 78% | 0.778 | S | S | . | * | P | Polyproline II helix | trans | -90.8 | 134.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y497 L501 | Y497-G499 PolarHBondContact O-N 3.21Å; G499-L501 PolarHBondContact O-N 3.48Å |
| 500 | P | 41.1 | Very low | 37.3 | Very low | 127 Ų | 127 | 131.9 Ų | 131.9 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -56 | 127.6 | 174.8 | 22.5 | -30.6 | 0 | 0 | 0 | 109 | | |
| 501 | L | 39 | Very low | 38 | Very low | 158 Ų | 158 | 129.6 Ų | 129.6 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 128.1 | 174.6 | -84 | 107.2 | 0 | 0 | 0 | 108 | G499 S503 | G499-L501 PolarHBondContact O-N 3.48Å; L501-S503 PolarHBondContact O-N 3.4Å |
| 502 | P | 44.7 | Very low | 38.9 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 116.7 | 175.9 | 22.4 | -30.5 | 0 | 0 | 0 | 107 | A504 | P502-A504 PolarHBondContact O-N 3.45Š|
| 503 | S | 41.1 | Very low | 39.6 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | | | trans | -55.7 | 89.9 | 164 | -45.1 | 0 | 0 | 0 | 0 | 105.7 | L501 E505 | L501-S503 PolarHBondContact O-N 3.4Å; S503-E505 PolarHBondContact O-N 3.16Å |
| 504 | A | 42.4 | Very low | 40.2 | Very low | 91 Ų | 91 | 139.4 Ų | 139.4 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | | | trans | -69.2 | 80 | 165.2 | 0 | 0 | 0 | 0 | 0 | 104.9 | P502 S506 | P502-A504 PolarHBondContact O-N 3.45Å; A504-S506 PolarHBondContact O-N 2.93Å |
| 505 | E | 40.1 | Very low | 40.6 | Very low | 176 Ų | 176 | 135.4 Ų | 135.4 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | | | trans | -54.8 | 85.6 | 150.5 | -74.7 | 176.6 | 158.3 | 0 | 0 | 104.7 | S503 D507 | S503-E505 PolarHBondContact O-N 3.16Å; E505-D507 VanDerWaalsContact C-N 3.32Å; E505-D507 PolarHBondContact O-N 2.91Å |
| 506 | S | 40.4 | Very low | 40.8 | Very low | 90 Ų | 90 | 134.6 Ų | 134.6 | 63% | 0.629 | 77% | 0.77 | S | S | * | * | | | trans | -63.2 | 107.2 | 167 | 66.1 | 0 | 0 | 0 | 0 | 104.5 | A504 M508 | A504-S506 PolarHBondContact O-N 2.93Å; S506-M508 PolarHBondContact O-N 3.02Å |
| 507 | D | 42.7 | Very low | 41.3 | Very low | 162 Ų | 162 | 134.1 Ų | 134.1 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | | | trans | -57.9 | 70.9 | 158 | -88 | -28.1 | 0 | 0 | 0 | 107.8 | E505 P509 | E505-D507 VanDerWaalsContact C-N 3.32Å; E505-D507 PolarHBondContact O-N 2.91Å; D507-P509 WeakPolarHBondContact O-CD 3.44Å |
| 508 | M | 37.3 | Very low | 41.5 | Very low | 128 Ų | 128 | 127.6 Ų | 127.6 | 63% | 0.631 | 76% | 0.762 | S | S | * | * | | | trans | -63.6 | 124.6 | 162.8 | -146.3 | -164.7 | -40.6 | 0 | 0 | 103.8 | S506 L510 | S506-M508 PolarHBondContact O-N 3.02Å; M508-L510 PolarHBondContact O-N 2.8Å |
| 509 | P | 44.6 | Very low | 42 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | | | trans | -66.5 | 76.9 | 180 | 26.1 | -33.7 | 0 | 0 | 0 | 109.8 | D507 | D507-P509 WeakPolarHBondContact O-CD 3.44Š|
| 510 | L | 44.1 | Very low | 42.7 | Very low | 137 Ų | 137 | 136.5 Ų | 136.5 | 72% | 0.717 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 130.6 | 166.6 | -73.9 | 158.4 | 0 | 0 | 0 | 105.5 | M508 | M508-L510 PolarHBondContact O-N 2.8Š|
| 511 | K | 42.7 | Very low | 42.7 | Very low | 196 Ų | 196 | 135.4 Ų | 135.4 | 85% | 0.852 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84.1 | 44.9 | 173.8 | -43.1 | 174 | -173.5 | 178.7 | 0 | 116.4 | S513 | K511-S513 PolarHBondContact O-N 2.85Š|
| 512 | R | 44.2 | Very low | 42.5 | Very low | 225 Ų | 225 | 131.6 Ų | 131.6 | 85% | 0.849 | 77% | 0.771 | S | S | * | * | | | | -83.4 | 81.4 | 129.6 | -83.6 | -172.8 | 174.2 | 160.7 | 0 | 107.4 | F514 | R512-F514 VanDerWaalsContact C-N 3.34Å; R512-F514 PolarHBondContact O-N 2.85Å |
| 513 | S | 42.7 | Very low | 41.8 | Very low | 105 Ų | 105 | 129.1 Ų | 129.1 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | | | trans | -50.8 | 101.8 | 159.9 | 48 | 0 | 0 | 0 | 0 | 107.6 | K511 A515 | K511-S513 PolarHBondContact O-N 2.85Å; S513-A515 VanDerWaalsContact C-N 3.33Å; S513-A515 PolarHBondContact O-N 3.43Å |
| 514 | F | 45.1 | Very low | 41.3 | Very low | 191 Ų | 191 | 128 Ų | 128 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | | | trans | -63.7 | 105.5 | 160 | -74.1 | -85.3 | 0 | 0 | 0 | 105.3 | R512 | R512-F514 VanDerWaalsContact C-N 3.34Å; R512-F514 PolarHBondContact O-N 2.85Å |
| 515 | A | 44.6 | Very low | 41 | Very low | 85 Ų | 85 | 132.8 Ų | 132.8 | 70% | 0.702 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 128.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 106.4 | S513 | S513-A515 VanDerWaalsContact C-N 3.33Å; S513-A515 PolarHBondContact O-N 3.43Å |
| 516 | P | 41.4 | Very low | 40.9 | Very low | 113 Ų | 113 | 129.3 Ų | 129.3 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 140.9 | 174.3 | 22.3 | -30.9 | 0 | 0 | 0 | 108.5 | A518 | P516-A518 PolarHBondContact O-N 3.18Š|
| 517 | P | 47.8 | Very low | 40.7 | Very low | 128 Ų | 128 | 128.5 Ų | 128.5 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 133.8 | 178.8 | 20.1 | -30.4 | 0 | 0 | 0 | 109.4 | D519 | P517-D519 PolarHBondContact O-N 2.8Š|
| 518 | A | 44.2 | Very low | 40.1 | Very low | 90 Ų | 90 | 129.3 Ų | 129.3 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 131.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111 | P516 I520 | P516-A518 PolarHBondContact O-N 3.18Å; A518-I520 PolarHBondContact O-N 2.8Å |
| 519 | D | 41.2 | Very low | 40 | Very low | 149 Ų | 149 | 128.2 Ų | 128.2 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | | | trans | -45.2 | 103.3 | 172.6 | -109.3 | -27.7 | 0 | 0 | 0 | 110 | P517 S521 | P517-D519 PolarHBondContact O-N 2.8Å; D519-S521 PolarHBondContact O-N 2.85Å |
| 520 | I | 46 | Very low | 39.5 | Very low | 167 Ų | 167 | 131.3 Ų | 131.3 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | | | trans | -81.2 | 56.6 | 161.3 | 42.9 | 168.1 | 0 | 0 | 0 | 108.2 | A518 G522 | A518-I520 PolarHBondContact O-N 2.8Å; I520-G522 PolarHBondContact O-N 2.92Å |
| 521 | S | 40.7 | Very low | 38.9 | Very low | 104 Ų | 104 | 136 Ų | 136 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | trans | -77 | 6.4 | 168.8 | 58.7 | 0 | 0 | 0 | 0 | 112.4 | D519 | D519-S521 PolarHBondContact O-N 2.85Š|
| 522 | G | 33.7 | Very low | 38.3 | Very low | 78 Ų | 78 | 135.2 Ų | 135.2 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | -105.1 | 77.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | I520 | I520-G522 PolarHBondContact O-N 2.92Š|
| 523 | G | 30.2 | Very low | 37.8 | Very low | 68 Ų | 68 | 130.1 Ų | 130.1 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | | | trans | -173.2 | 35 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 524 | G | 30.8 | Very low | 37.3 | Very low | 85 Ų | 85 | 129 Ų | 129 | 88% | 0.876 | 79% | 0.792 | S | S | * | * | | | trans | -85.6 | 8.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 525 | E | 36.5 | Very low | 36.5 | Very low | 190 Ų | 190 | 125.4 Ų | 125.4 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -123.9 | 127.4 | -179.9 | -80.2 | -174.6 | 148.6 | 0 | 0 | 111.5 | | |
| 526 | A | 37 | Very low | 35.9 | Very low | 103 Ų | 103 | 127 Ų | 127 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | S | Bend | trans | 98.9 | 52.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 527 | A | 37 | Very low | 35.3 | Very low | 74 Ų | 74 | 126 Ų | 126 | 61% | 0.612 | 79% | 0.792 | S | S | * | * | | | trans | -143.5 | 36.1 | 150.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S529 | A527-S529 VanDerWaalsContact C-N 3.28Å; A527-S529 PolarHBondContact O-N 2.92Å |
| 528 | N | 31 | Very low | 34.3 | Very low | 178 Ų | 178 | 127.4 Ų | 127.4 | 95% | 0.952 | 79% | 0.793 | S | S | * | * | | | trans | -95.6 | 34.2 | 171.8 | -121.4 | 6 | 0 | 0 | 0 | 112.6 | | |
| 529 | S | 34.6 | Very low | 33.6 | Very low | 106 Ų | 106 | 127 Ų | 127 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | | | trans | -136.9 | 37.8 | 176.6 | 50.6 | 0 | 0 | 0 | 0 | 111.8 | A527 R531 | A527-S529 VanDerWaalsContact C-N 3.28Å; A527-S529 PolarHBondContact O-N 2.92Å; S529-R531 PolarHBondContact O-N 3.01Å; S529-R531 VanDerWaalsContact O-N 3.11Å |
| 530 | F | 33 | Very low | 33.1 | Very low | 186 Ų | 186 | 128.8 Ų | 128.8 | 82% | 0.816 | 80% | 0.798 | S | S | * | * | | | trans | -79.8 | 73.3 | 155.3 | -88.5 | -85.8 | 0 | 0 | 0 | 108.5 | Q532 | F530-Q532 PolarHBondContact O-N 2.94Š|
| 531 | R | 33 | Very low | 32.1 | Very low | 234 Ų | 234 | 124.8 Ų | 124.8 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | | | trans | -67.1 | 113 | 152.6 | -97.2 | -167.2 | 175.2 | -166.1 | -0.3 | 105.6 | S529 P533 | S529-R531 PolarHBondContact O-N 3.01Å; S529-R531 VanDerWaalsContact O-N 3.11Å; R531-P533 WeakPolarHBondContact O-CD 3.47Å; R531-P533 VanDerWaalsContact O-N 3.12Å |
| 532 | Q | 28.9 | Very low | 31.4 | Very low | 181 Ų | 181 | 123.3 Ų | 123.3 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 117.9 | 171 | -69.6 | 176 | -33.1 | 0 | 0 | 108.4 | F530 A534 | F530-Q532 PolarHBondContact O-N 2.94Å; Q532-A534 PolarHBondContact O-N 3.1Å; Q532-A534 VanDerWaalsContact O-N 3.12Å |
| 533 | P | 35.2 | Very low | 31.2 | Very low | 117 Ų | 117 | 126.1 Ų | 126.1 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 120.1 | 171 | 22.4 | -28.5 | 0 | 0 | 0 | 107.4 | R531 | R531-P533 WeakPolarHBondContact O-CD 3.47Å; R531-P533 VanDerWaalsContact O-N 3.12Å |
| 534 | A | 31.5 | Very low | 31.1 | Very low | 82 Ų | 82 | 130.4 Ų | 130.4 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -55 | 138.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q532 V536 | Q532-A534 PolarHBondContact O-N 3.1Å; Q532-A534 VanDerWaalsContact O-N 3.12Å; A534-V536 WeakPolarHBondContact O-CG2 3.49Å; A534-V536 PolarHBondContact O-N 2.89Å; A534-V536 VanDerWaalsContact O-N 3.09Å |
| 535 | S | 28.7 | Very low | 31.2 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | -31.3 | 104.4 | 176 | 53.2 | 0 | 0 | 0 | 0 | 114 | A537 | S535-A537 PolarHBondContact O-N 3.12Š|
| 536 | V | 31.5 | Very low | 31 | Very low | 119 Ų | 119 | 133 Ų | 133 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | | | trans | -93.3 | 80.1 | 171.4 | -171.8 | 0 | 0 | 0 | 0 | 107.9 | A534 N538 A539 | A534-V536 WeakPolarHBondContact O-CG2 3.49Å; A534-V536 PolarHBondContact O-N 2.89Å; A534-V536 VanDerWaalsContact O-N 3.09Å; V536-N538 VanDerWaalsContact C-N 3.32Å; V536-A539 HydrophobicContact CG1-CB 4.45Å |
| 537 | A | 27.8 | Very low | 30.5 | Very low | 91 Ų | 91 | 139.1 Ų | 139.1 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | | | trans | -87.4 | 8.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S535 | S535-A537 PolarHBondContact O-N 3.12Š|
| 538 | N | 27.6 | Very low | 30.3 | Very low | 159 Ų | 159 | 141.5 Ų | 141.5 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | | | trans | -124.2 | 40.4 | -169.4 | -73.8 | -4.8 | 0 | 0 | 0 | 114.6 | V536 | V536-N538 VanDerWaalsContact C-N 3.32Š|
| 539 | A | 30.1 | Very low | 30.2 | Very low | 82 Ų | 82 | 136.9 Ų | 136.9 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | | | trans | -116 | 7.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | V536 | V536-A539 HydrophobicContact CG1-CB 4.45Š|
| 540 | L | 29.8 | Very low | 30.1 | Very low | 185 Ų | 185 | 138 Ų | 138 | 97% | 0.969 | 80% | 0.795 | S | S | * | * | | | trans | -113.7 | 82.4 | -179.3 | -70.5 | 167.7 | 0 | 0 | 0 | 110.3 | | |
| 541 | G | 25.1 | Very low | 30.2 | Very low | 83 Ų | 83 | 135.9 Ų | 135.9 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -172.6 | 77.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 542 | G | 26.8 | Very low | 30 | Very low | 73 Ų | 73 | 127.7 Ų | 127.7 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | | | trans | 151.3 | 71.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 543 | L | 29.5 | Very low | 29.9 | Very low | 138 Ų | 138 | 128.8 Ų | 128.8 | 72% | 0.723 | 79% | 0.791 | S | S | * | * | | | trans | -149.5 | 44.4 | 174.2 | -113.9 | 150.4 | 0 | 0 | 0 | 111.8 | F546 | L543-F546 HydrophobicContact CD2-CD2 4.11Å; L543-F546 HydrophobicContact CD2-CE2 3.4Å; L543-F546 VanDerWaalsContact CD2-CE2 3.4Å; L543-F546 HydrophobicContact CD2-CZ 4.3Å |
| 544 | D | 27.5 | Very low | 29.6 | Very low | 157 Ų | 157 | 127.9 Ų | 127.9 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | | | trans | -106.4 | 94.2 | 163 | -78 | -40.5 | 0 | 0 | 0 | 108.3 | | |
| 545 | D | 32.9 | Very low | 29.4 | Very low | 152 Ų | 152 | 134.5 Ų | 134.5 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | | | trans | 178.9 | 60.2 | 150.4 | -96.7 | -21.7 | 0 | 0 | 0 | 111.1 | | |
| 546 | F | 32.2 | Very low | 29.3 | Very low | 178 Ų | 178 | 134 Ų | 134 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | | | trans | -100.9 | 80.9 | 162.2 | -76.9 | -68 | 0 | 0 | 0 | 109.5 | L543 P548 | L543-F546 HydrophobicContact CD2-CD2 4.11Å; L543-F546 HydrophobicContact CD2-CE2 3.4Å; L543-F546 VanDerWaalsContact CD2-CE2 3.4Å; L543-F546 HydrophobicContact CD2-CZ 4.3Å; F546-P548 VanDerWaalsContact O-CD 3.32Å; F546-P548 WeakPolarHBondContact O-CD 3.41Å |
| 547 | R | 27.7 | Very low | 29.3 | Very low | 231 Ų | 231 | 134 Ų | 134 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | | | trans | -68.7 | 118.5 | 162.5 | -96.1 | -178.3 | 175.1 | -179.7 | -0.1 | 108.8 | A549 | R547-A549 PolarHBondContact O-N 3.39Š|
| 548 | P | 31.9 | Very low | 29.3 | Very low | 124 Ų | 124 | 132.8 Ų | 132.8 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | | | trans | -71.6 | 114.4 | -179.9 | 27.3 | -31.9 | 0 | 0 | 0 | 110.1 | F546 | F546-P548 VanDerWaalsContact O-CD 3.32Å; F546-P548 WeakPolarHBondContact O-CD 3.41Å |
| 549 | A | 29.7 | Very low | 29.4 | Very low | 81 Ų | 81 | 132.4 Ų | 132.4 | 67% | 0.669 | 80% | 0.802 | S | S | * | * | | | trans | -70.9 | 137.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110 | R547 V551 | R547-A549 PolarHBondContact O-N 3.39Å; A549-V551 PolarHBondContact O-N 3.1Å |
| 550 | P | 31.5 | Very low | 29.4 | Very low | 129 Ų | 129 | 138 Ų | 138 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | | | trans | -72.3 | 101.4 | -178.5 | 27.9 | -32.2 | 0 | 0 | 0 | 110.1 | G552 | P550-G552 PolarHBondContact O-N 3.17Š|
| 551 | V | 34.7 | Very low | 29.7 | Very low | 143 Ų | 143 | 133.4 Ų | 133.4 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | | | trans | -73.9 | 115.5 | 173.2 | -174.3 | 0 | 0 | 0 | 0 | 108.5 | A549 | A549-V551 PolarHBondContact O-N 3.1Š|
| 552 | G | 29.6 | Very low | 29.9 | Very low | 62 Ų | 62 | 133 Ų | 133 | 64% | 0.639 | 79% | 0.79 | S | S | * | * | | | trans | -57.9 | 140.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114 | P550 S554 | P550-G552 PolarHBondContact O-N 3.17Å; G552-S554 PolarHBondContact O-N 3.43Å |
| 553 | Q | 26 | Very low | 30.1 | Very low | 203 Ų | 203 | 137.9 Ų | 137.9 | 95% | 0.949 | 79% | 0.791 | S | S | * | * | | | trans | -67 | 108.3 | 166.8 | -65.1 | 175.8 | -5.2 | 0 | 0 | 109.1 | | |
| 554 | S | 29.5 | Very low | 30.4 | Very low | 99 Ų | 99 | 139.5 Ų | 139.5 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | | | trans | -136.3 | 106.4 | 165.2 | 59.1 | 0 | 0 | 0 | 0 | 110.5 | G552 | G552-S554 PolarHBondContact O-N 3.43Š|
| 555 | Y | 28.1 | Very low | 30.8 | Very low | 220 Ų | 220 | 141 Ų | 141 | 86% | 0.863 | 79% | 0.794 | S | S | * | * | | | trans | 50.5 | 109.5 | 149.3 | -66.9 | -87.4 | 0 | 0 | 0 | 118.7 | P557 | Y555-P557 WeakPolarHBondContact O-CD 3.35Š|
| 556 | A | 24.7 | Very low | 30.8 | Very low | 105 Ų | 105 | 140.5 Ų | 140.5 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 119.2 | 162.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 557 | P | 32.6 | Very low | 31.2 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 143.1 | 151.4 | 5.1 | 18 | 0 | 0 | 0 | 108.3 | Y555 | Y555-P557 WeakPolarHBondContact O-CD 3.35Š|
| 558 | G | 27 | Very low | 31.6 | Very low | 66 Ų | 66 | 131.6 Ų | 131.6 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 137.5 | -167.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | K560 | G558-K560 PolarHBondContact O-N 2.75Š|
| 559 | V | 30 | Very low | 31.8 | Very low | 151 Ų | 151 | 131.2 Ų | 131.2 | 92% | 0.915 | 78% | 0.778 | S | S | * | * | | | trans | -17.9 | 96.2 | 141.3 | -86.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 560 | K | 31.1 | Very low | 32.1 | Very low | 198 Ų | 198 | 131.5 Ų | 131.5 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | | | trans | -92.4 | 109.4 | 146.1 | -79.3 | -173.5 | 175.5 | -174.2 | 0 | 106 | G558 G562 | G558-K560 PolarHBondContact O-N 2.75Å; K560-G562 PolarHBondContact O-N 3.13Å; K560-G562 VanDerWaalsContact O-N 3.13Å |
| 561 | S | 35.1 | Very low | 32.7 | Very low | 90 Ų | 90 | 134.7 Ų | 134.7 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | | | trans | -51.9 | 117.9 | 172.3 | 55.6 | 0 | 0 | 0 | 0 | 108.8 | F563 | S561-F563 PolarHBondContact O-N 2.91Š|
| 562 | G | 30.5 | Very low | 33 | Very low | 74 Ų | 74 | 132.3 Ų | 132.3 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -68.9 | 39.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | K560 E564 | K560-G562 PolarHBondContact O-N 3.13Å; K560-G562 VanDerWaalsContact O-N 3.13Å; G562-E564 VanDerWaalsContact C-N 3.26Å; G562-E564 PolarHBondContact O-N 2.8Å |
| 563 | F | 30.8 | Very low | 33.5 | Very low | 175 Ų | 175 | 137.8 Ų | 137.8 | 77% | 0.768 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 22.9 | 177.5 | -94.2 | -78 | 0 | 0 | 0 | 113.1 | S561 | S561-F563 PolarHBondContact O-N 2.91Š|
| 564 | E | 35.2 | Very low | 34 | Very low | 173 Ų | 173 | 132.4 Ų | 132.4 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | 3.6 | 178.9 | -76.2 | -176.8 | 174.5 | 0 | 0 | 114.6 | G562 | G562-E564 VanDerWaalsContact C-N 3.26Å; G562-E564 PolarHBondContact O-N 2.8Å |
| 565 | F | 35.9 | Very low | 34.5 | Very low | 188 Ų | 188 | 133.3 Ų | 133.3 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | | | trans | -118.6 | 31.1 | -178.8 | -71.9 | -77.9 | 0 | 0 | 0 | 114.9 | | |
| 566 | L | 33 | Very low | 34.8 | Very low | 142 Ų | 142 | 126.3 Ų | 126.3 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -86.7 | 120.4 | 155.3 | -71.4 | 177.2 | 0 | 0 | 0 | 107.5 | S568 | L566-S568 PolarHBondContact O-N 3.34Š|
| 567 | P | 39.5 | Very low | 35.7 | Very low | 111 Ų | 111 | 128.1 Ų | 128.1 | 72% | 0.721 | 76% | 0.756 | S | S | * | * | | | trans | -53.8 | 121.9 | 173.4 | 22 | -30.7 | 0 | 0 | 0 | 107.4 | V569 | P567-V569 PolarHBondContact O-N 2.92Š|
| 568 | S | 37.3 | Very low | 35.8 | Very low | 111 Ų | 111 | 125.5 Ų | 125.5 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | | | trans | -44 | 111 | 171.4 | 46.4 | 0 | 0 | 0 | 0 | 108 | L566 P570 | L566-S568 PolarHBondContact O-N 3.34Å; S568-P570 VanDerWaalsContact O-N 3.15Å |
| 569 | V | 35.7 | Very low | 36.5 | Very low | 115 Ų | 115 | 125.8 Ų | 125.8 | 70% | 0.697 | 75% | 0.746 | S | S | * | * | | | trans | -53.7 | 122.4 | 171.9 | 176 | 0 | 0 | 0 | 0 | 105.7 | P567 E571 | P567-V569 PolarHBondContact O-N 2.92Å; V569-E571 PolarHBondContact O-N 2.62Å |
| 570 | P | 35.9 | Very low | 36.9 | Very low | 87 Ų | 87 | 123.5 Ų | 123.5 | 57% | 0.565 | 74% | 0.737 | S | S | * | * | | | trans | -57.3 | 126.3 | -175.5 | 19.3 | -29.8 | 0 | 0 | 0 | 109.3 | S568 S572 | S568-P570 VanDerWaalsContact O-N 3.15Å; P570-S572 PolarHBondContact O-N 2.94Å |
| 571 | E | 43.9 | Very low | 37.4 | Very low | 197 Ų | 197 | 120.4 Ų | 120.4 | 92% | 0.921 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | 15.9 | 179.9 | -72.6 | -177.2 | 148.8 | 0 | 0 | 113.9 | V569 F573 | V569-E571 PolarHBondContact O-N 2.62Å; E571-F573 VanDerWaalsContact C-N 3.33Å; E571-F573 PolarHBondContact O-N 3.03Å |
| 572 | S | 42 | Very low | 37.6 | Very low | 93 Ų | 93 | 122.3 Ų | 122.3 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | 2.9 | -173.5 | 50.2 | 0 | 0 | 0 | 0 | 115.1 | P570 A574 | P570-S572 PolarHBondContact O-N 2.94Å; S572-A574 PolarHBondContact O-N 2.99Å; S572-A574 VanDerWaalsContact O-N 3.1Å |
| 573 | F | 38.8 | Very low | 37.9 | Very low | 176 Ų | 176 | 126.8 Ų | 126.8 | 77% | 0.772 | 74% | 0.738 | S | S | * | * | | | trans | -85.9 | 73 | 161.9 | -64 | -75 | 0 | 0 | 0 | 108.8 | E571 V575 | E571-F573 VanDerWaalsContact C-N 3.33Å; E571-F573 PolarHBondContact O-N 3.03Å; F573-V575 VanDerWaalsContact C-N 3.29Å; F573-V575 PolarHBondContact O-N 2.92Å |
| 574 | A | 38.1 | Very low | 38.2 | Very low | 91 Ų | 91 | 127.3 Ų | 127.3 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | | | trans | -56 | 101.1 | 158.7 | 0 | 0 | 0 | 0 | 0 | 107 | S572 A576 | S572-A574 PolarHBondContact O-N 2.99Å; S572-A574 VanDerWaalsContact O-N 3.1Å; A574-A576 PolarHBondContact O-N 2.8Å; A574-A576 VanDerWaalsContact O-N 3.12Å |
| 575 | V | 38.3 | Very low | 38.4 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 71% | 0.709 | 75% | 0.745 | S | S | * | * | | | trans | -54.2 | 118.9 | 169.5 | 175.5 | 0 | 0 | 0 | 0 | 106.2 | F573 A579 | F573-V575 VanDerWaalsContact C-N 3.29Å; F573-V575 PolarHBondContact O-N 2.92Å; V575-A579 HydrophobicContact CG1-CB 4.19Å |
| 576 | A | 36.3 | Very low | 38.6 | Very low | 73 Ų | 73 | 125.4 Ų | 125.4 | 60% | 0.603 | 74% | 0.743 | S | S | * | * | | | trans | -50.5 | 134.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | A574 G578 | A574-A576 PolarHBondContact O-N 2.8Å; A574-A576 VanDerWaalsContact O-N 3.12Å; A576-G578 PolarHBondContact O-N 3.04Å |
| 577 | P | 42.6 | Very low | 38.6 | Very low | 144 Ų | 144 | 128.9 Ų | 128.9 | 94% | 0.935 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | 107.3 | 175.1 | 4 | 5 | 0 | 0 | 0 | 107.6 | | |
| 578 | G | 34.7 | Very low | 38.8 | Very low | 64 Ų | 64 | 129 Ų | 129 | 66% | 0.66 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 157.2 | -16.1 | -176 | 0 | 0 | 0 | 0 | 0 | 114.7 | A576 S580 | A576-G578 PolarHBondContact O-N 3.04Å; G578-S580 VanDerWaalsContact C-N 3.34Å |
| 579 | A | 41.4 | Very low | 38.8 | Very low | 71 Ų | 71 | 130.7 Ų | 130.7 | 59% | 0.587 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -84.6 | 0.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | V575 | V575-A579 HydrophobicContact CG1-CB 4.19Š|
| 580 | S | 39.7 | Very low | 38.9 | Very low | 104 Ų | 104 | 131.9 Ų | 131.9 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -82.5 | -8.2 | -174.5 | 55.3 | 0 | 0 | 0 | 0 | 115.6 | G578 | G578-S580 VanDerWaalsContact C-N 3.34Š|
| 581 | D | 40.8 | Very low | 38.9 | Very low | 133 Ų | 133 | 133.8 Ų | 133.8 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -106.5 | 27.1 | -171.2 | -75.7 | 11.1 | 0 | 0 | 0 | 114 | Q583 | D581-Q583 PolarHBondContact O-N 3.05Š|
| 582 | V | 40.3 | Very low | 38.3 | Very low | 129 Ų | 129 | 127.9 Ų | 127.9 | 78% | 0.782 | 74% | 0.738 | S | S | * | * | | | trans | -75 | 78.5 | 161.3 | -169.3 | 0 | 0 | 0 | 0 | 107.3 | K584 | V582-K584 PolarHBondContact O-N 3.11Å; V582-K584 VanDerWaalsContact O-N 3.1Å |
| 583 | Q | 36.2 | Very low | 38.1 | Very low | 168 Ų | 168 | 128.9 Ų | 128.9 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | | | trans | -43.8 | 119.2 | 165.5 | -74.7 | 179.4 | -7.9 | 0 | 0 | 107.4 | D581 L585 | D581-Q583 PolarHBondContact O-N 3.05Å; Q583-L585 PolarHBondContact O-N 3.16Å |
| 584 | K | 37.4 | Very low | 38 | Very low | 186 Ų | 186 | 128.4 Ų | 128.4 | 81% | 0.809 | 75% | 0.748 | S | S | * | * | | | trans | -52.3 | 111.4 | 168.3 | -66.4 | 175.7 | -178.5 | 177.1 | 0 | 105.6 | V582 D586 | V582-K584 PolarHBondContact O-N 3.11Å; V582-K584 VanDerWaalsContact O-N 3.1Å; K584-D586 PolarHBondContact O-N 3.11Å |
| 585 | L | 38.8 | Very low | 37.8 | Very low | 176 Ų | 176 | 128.2 Ų | 128.2 | 92% | 0.921 | 74% | 0.741 | S | S | * | * | | | trans | -62.7 | 88.4 | 166.1 | -95.4 | 149.9 | 0 | 0 | 0 | 105.9 | Q583 R587 | Q583-L585 PolarHBondContact O-N 3.16Å; L585-R587 PolarHBondContact O-N 2.87Å |
| 586 | D | 40.1 | Very low | 37.5 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 78% | 0.781 | 75% | 0.749 | S | S | * | * | | | trans | -57.4 | 109.3 | 173.4 | -93.3 | -26.5 | 0 | 0 | 0 | 107.3 | K584 | K584-D586 PolarHBondContact O-N 3.11Š|
| 587 | R | 33.4 | Very low | 37.8 | Very low | 214 Ų | 214 | 135.5 Ų | 135.5 | 81% | 0.808 | 76% | 0.759 | S | S | * | * | | | trans | 46.7 | 123.2 | 167.1 | -69.9 | 178.6 | -177.5 | 174.8 | 1.2 | 116 | L585 L589 | L585-R587 PolarHBondContact O-N 2.87Å; R587-L589 PolarHBondContact O-N 2.84Å |
| 588 | P | 42.6 | Very low | 37.6 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | | | trans | -59.5 | 106.2 | 165.7 | 26.8 | -31.4 | 0 | 0 | 0 | 108 | I590 | P588-I590 HydrophobicContact CB-CG1 4.16Å; P588-I590 PolarHBondContact O-N 3.11Å |
| 589 | L | 38.5 | Very low | 37.3 | Very low | 145 Ų | 145 | 133.5 Ų | 133.5 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | | | trans | -71.3 | 82 | 169.9 | -143.5 | 90.3 | 0 | 0 | 0 | 105.6 | R587 N591 | R587-L589 PolarHBondContact O-N 2.84Å; L589-N591 PolarHBondContact O-N 3.19Å |
| 590 | I | 37.3 | Very low | 37.1 | Very low | 140 Ų | 140 | 136 Ų | 136 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | | | trans | -73.3 | 72.4 | 170.5 | -54.5 | 170.7 | 0 | 0 | 0 | 106.2 | P588 A592 | P588-I590 HydrophobicContact CB-CG1 4.16Å; P588-I590 PolarHBondContact O-N 3.11Å; I590-A592 VanDerWaalsContact C-N 3.32Å; I590-A592 PolarHBondContact O-N 2.84Å |
| 591 | N | 35.5 | Very low | 37.5 | Very low | 128 Ų | 128 | 136.8 Ų | 136.8 | 68% | 0.684 | 76% | 0.761 | S | S | * | * | | | trans | -89.6 | 85.6 | 157.3 | -81.1 | -10.6 | 0 | 0 | 0 | 105.3 | L589 P593 | L589-N591 PolarHBondContact O-N 3.19Å; N591-P593 WeakPolarHBondContact O-CD 3.29Å |
| 592 | A | 32.5 | Very low | 37.2 | Very low | 73 Ų | 73 | 136.1 Ų | 136.1 | 60% | 0.603 | 77% | 0.767 | S | S | * | * | | | trans | -59.9 | 114.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | I590 D594 | I590-A592 VanDerWaalsContact C-N 3.32Å; I590-A592 PolarHBondContact O-N 2.84Å; A592-D594 PolarHBondContact O-N 2.71Å |
| 593 | P | 38.1 | Very low | 37.2 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | | | trans | -76.5 | 105.7 | 169 | 23.7 | -14.1 | 0 | 0 | 0 | 106.7 | N591 S595 | N591-P593 WeakPolarHBondContact O-CD 3.29Å; P593-S595 PolarHBondContact O-N 2.89Å |
| 594 | D | 35.2 | Very low | 37.1 | Very low | 166 Ų | 166 | 136 Ų | 136 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | | | trans | -60.9 | 82.7 | 160.3 | -71.4 | -30.5 | 0 | 0 | 0 | 107.9 | A592 | A592-D594 PolarHBondContact O-N 2.71Š|
| 595 | S | 34 | Very low | 36.9 | Very low | 88 Ų | 88 | 129.9 Ų | 129.9 | 62% | 0.615 | 76% | 0.763 | S | S | * | * | | | trans | -137.9 | 112 | 173.7 | -157.7 | 0 | 0 | 0 | 0 | 110 | P593 L597 | P593-S595 PolarHBondContact O-N 2.89Å; S595-L597 PolarHBondContact O-N 3Å |
| 596 | Q | 33.2 | Very low | 36.9 | Very low | 187 Ų | 187 | 127.3 Ų | 127.3 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | | | trans | -64.3 | 66.8 | 176.6 | -60 | -172.7 | -7.4 | 0 | 0 | 111.6 | S598 | Q596-S598 PolarHBondContact O-N 2.68Š|
| 597 | L | 42 | Very low | 36.8 | Very low | 156 Ų | 156 | 128.1 Ų | 128.1 | 82% | 0.817 | 76% | 0.761 | S | S | * | * | | | trans | -79.1 | 77.5 | 165.1 | -71.2 | 174 | 0 | 0 | 0 | 108.9 | S595 | S595-L597 PolarHBondContact O-N 3Š|
| 598 | S | 37.2 | Very low | 37.1 | Very low | 107 Ų | 107 | 124 Ų | 124 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | | | trans | -26.1 | 125.7 | 140.5 | 51 | 0 | 0 | 0 | 0 | 113 | Q596 | Q596-S598 PolarHBondContact O-N 2.68Š|
| 599 | G | 29.6 | Very low | 37.3 | Very low | 59 Ų | 59 | 123.6 Ų | 123.6 | 61% | 0.608 | 76% | 0.757 | S | S | * | * | | | trans | 111.4 | 103.5 | 158.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | P601 | G599-P601 WeakPolarHBondContact O-CD 3.36Š|
| 600 | P | 37.7 | Very low | 37.8 | Very low | 123 Ų | 123 | 121.6 Ų | 121.6 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | | | trans | -68.7 | 127.2 | 169.6 | 28.3 | -30.9 | 0 | 0 | 0 | 109.6 | S602 | P600-S602 PolarHBondContact O-N 2.95Š|
| 601 | P | 47.1 | Very low | 38.1 | Very low | 121 Ų | 121 | 122.7 Ų | 122.7 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | | | trans | -69.6 | 114.5 | 164.9 | 27 | -28.1 | 0 | 0 | 0 | 107.8 | G599 A603 | G599-P601 WeakPolarHBondContact O-CD 3.36Å; P601-A603 VanDerWaalsContact C-N 3.34Å; P601-A603 PolarHBondContact O-N 2.77Å |
| 602 | S | 35.6 | Very low | 38.6 | Very low | 119 Ų | 119 | 125.3 Ų | 125.3 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | | | trans | -51 | 90.7 | 169.3 | -67.6 | 0 | 0 | 0 | 0 | 111.3 | P600 | P600-S602 PolarHBondContact O-N 2.95Š|
| 603 | A | 40.3 | Very low | 39.4 | Very low | 93 Ų | 93 | 132.4 Ų | 132.4 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | | | trans | -98.3 | 96 | 160.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | P601 G605 | P601-A603 VanDerWaalsContact C-N 3.34Å; P601-A603 PolarHBondContact O-N 2.77Å; A603-G605 PolarHBondContact O-N 2.95Å |
| 604 | Q | 32.3 | Very low | 40 | Very low | 200 Ų | 200 | 134.5 Ų | 134.5 | 94% | 0.935 | 78% | 0.777 | S | S | * | * | | | trans | -61.4 | 83 | 170 | -71.2 | 168.8 | -43.6 | 0 | 0 | 109.2 | | |
| 605 | G | 33.7 | Very low | 40.6 | Very low | 58 Ų | 58 | 133.6 Ų | 133.6 | 60% | 0.598 | 77% | 0.773 | S | S | * | * | | | trans | -87.7 | 138.8 | 159.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | A603 | A603-G605 PolarHBondContact O-N 2.95Š|
| 606 | P | 38.3 | Very low | 41 | Very low | 122 Ų | 122 | 140 Ų | 140 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | | | trans | -62 | 140.6 | -168.4 | 27.5 | -34.2 | 0 | 0 | 0 | 111 | V608 | P606-V608 PolarHBondContact O-N 2.96Š|
| 607 | D | 39.4 | Very low | 42 | Very low | 163 Ų | 163 | 138.4 Ų | 138.4 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | | | trans | -30.6 | 89.7 | 176.7 | -71.7 | -45 | 0 | 0 | 0 | 113.3 | P609 | D607-P609 VanDerWaalsContact O-CD 3.29Å; D607-P609 WeakPolarHBondContact O-CD 3.31Å |
| 608 | V | 39.9 | Very low | 42.4 | Very low | 129 Ų | 129 | 136.1 Ų | 136.1 | 78% | 0.782 | 78% | 0.776 | S | S | * | * | | | trans | -77.7 | 113.9 | 155.4 | -179.8 | 0 | 0 | 0 | 0 | 104 | P606 S610 | P606-V608 PolarHBondContact O-N 2.96Å; V608-S610 PolarHBondContact O-N 3.35Å |
| 609 | P | 47.2 | Very low | 43.2 | Very low | 106 Ų | 106 | 136.4 Ų | 136.4 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | | | trans | -57.6 | 109.2 | 175.2 | -16.7 | 29.4 | 0 | 0 | 0 | 106.2 | D607 M611 | D607-P609 VanDerWaalsContact O-CD 3.29Å; D607-P609 WeakPolarHBondContact O-CD 3.31Å; P609-M611 PolarHBondContact O-N 2.82Å |
| 610 | S | 47.4 | Very low | 44 | Very low | 103 Ų | 103 | 139 Ų | 139 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | | | trans | -63 | 94.6 | 166.3 | 52.1 | 0 | 0 | 0 | 0 | 105 | V608 K612 | V608-S610 PolarHBondContact O-N 3.35Å; S610-K612 PolarHBondContact O-N 2.83Å |
| 611 | M | 43.6 | Very low | 44.3 | Very low | 163 Ų | 163 | 139 Ų | 139 | 80% | 0.803 | 78% | 0.782 | S | S | * | * | | | trans | -56.5 | 97.2 | 163.4 | -74 | -74.7 | -69.9 | 0 | 0 | 103.7 | P609 Y613 | P609-M611 PolarHBondContact O-N 2.82Å; M611-Y613 PolarHBondContact O-N 3.07Å |
| 612 | K | 46.9 | Very low | 43.9 | Very low | 182 Ų | 182 | 138.1 Ų | 138.1 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | | | trans | -49.4 | 118.2 | 172.9 | -69.1 | -174.7 | -180 | -179.5 | 0 | 103.9 | S610 E614 | S610-K612 PolarHBondContact O-N 2.83Å; K612-E614 PolarHBondContact O-N 3.45Å |
| 613 | Y | 48.4 | Very low | 44.4 | Very low | 223 Ų | 223 | 137.8 Ų | 137.8 | 88% | 0.875 | 77% | 0.773 | S | S | * | * | | | trans | -59.9 | 91.6 | 163.4 | -78.3 | -91.9 | 0 | 0 | 0 | 103.9 | M611 N615 | M611-Y613 PolarHBondContact O-N 3.07Å; Y613-N615 VanDerWaalsContact C-N 3.29Å; Y613-N615 PolarHBondContact O-N 3.31Å |
| 614 | E | 50.3 | Low | 44.5 | Very low | 156 Ų | 156 | 141.9 Ų | 141.9 | 73% | 0.729 | 78% | 0.776 | S | S | * | * | | | trans | -54.5 | 109.2 | 164 | -73.9 | -170 | 166.4 | 0 | 0 | 103.3 | K612 Y616 | K612-E614 PolarHBondContact O-N 3.45Å; E614-Y616 VanDerWaalsContact C-N 3.25Å; E614-Y616 WeakPolarHBondContact O-CD2 3.29Å; E614-Y616 PolarHBondContact O-N 2.77Å |
| 615 | N | 48.2 | Very low | 44.6 | Very low | 148 Ų | 148 | 138.1 Ų | 138.1 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | | | trans | -52 | 103.4 | 170.5 | -89.9 | -35.3 | 0 | 0 | 0 | 105 | Y613 L617 | Y613-N615 VanDerWaalsContact C-N 3.29Å; Y613-N615 PolarHBondContact O-N 3.31Å; N615-L617 PolarHBondContact O-N 2.72Å |
| 616 | Y | 42.9 | Very low | 44.8 | Very low | 222 Ų | 222 | 141 Ų | 141 | 87% | 0.871 | 78% | 0.781 | S | S | * | * | | | trans | -61.7 | 90.7 | 172.5 | -77.3 | -87.2 | 0 | 0 | 0 | 105.7 | E614 | E614-Y616 VanDerWaalsContact C-N 3.25Å; E614-Y616 WeakPolarHBondContact O-CD2 3.29Å; E614-Y616 PolarHBondContact O-N 2.77Å |
| 617 | L | 53.6 | Low | 44.6 | Very low | 153 Ų | 153 | 137.2 Ų | 137.2 | 80% | 0.801 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 127.9 | 165 | -77.9 | 167 | 0 | 0 | 0 | 105.3 | N615 | N615-L617 PolarHBondContact O-N 2.72Š|
| 618 | P | 51.8 | Low | 44.4 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 140.2 | 175.7 | 21.7 | -31 | 0 | 0 | 0 | 108.4 | | |
| 619 | P | 53.6 | Low | 44 | Very low | 114 Ų | 114 | 137.3 Ų | 137.3 | 74% | 0.74 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 137 | -176.7 | 21.2 | -32 | 0 | 0 | 0 | 109.5 | | |
| 620 | P | 45.2 | Very low | 43.7 | Very low | 114 Ų | 114 | 138 Ų | 138 | 74% | 0.74 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 140 | 177.3 | 23.2 | -32 | 0 | 0 | 0 | 109.1 | S622 | P620-S622 PolarHBondContact O-N 2.94Å; P620-S622 VanDerWaalsContact O-N 3.12Å |
| 621 | P | 44.5 | Very low | 43.2 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 124.2 | 177.5 | 22.7 | -31.6 | 0 | 0 | 0 | 108.3 | | |
| 622 | S | 39.3 | Very low | 42.9 | Very low | 101 Ų | 101 | 139.9 Ų | 139.9 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 131.9 | 179.3 | 57.3 | 0 | 0 | 0 | 0 | 108.4 | P620 E624 | P620-S622 PolarHBondContact O-N 2.94Å; P620-S622 VanDerWaalsContact O-N 3.12Å; S622-E624 PolarHBondContact O-N 3.11Å; S622-E624 VanDerWaalsContact O-N 3.1Å |
| 623 | P | 44.7 | Very low | 42.5 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 125 | 179.9 | 20.9 | -30.8 | 0 | 0 | 0 | 108.1 | C625 | P623-C625 VanDerWaalsContact C-N 3.3Å; P623-C625 PolarHBondContact O-N 2.84Å |
| 624 | E | 43.4 | Very low | 41.9 | Very low | 180 Ų | 180 | 135.2 Ų | 135.2 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | | | trans | -49.3 | 101.6 | 172.2 | -65.6 | 179.1 | 178.7 | 0 | 0 | 106.7 | S622 S626 | S622-E624 PolarHBondContact O-N 3.11Å; S622-E624 VanDerWaalsContact O-N 3.1Å; E624-S626 PolarHBondContact O-N 2.97Å; E624-S626 PolarHBondContact O-OG 3.22Å |
| 625 | C | 34.4 | Very low | 40.9 | Very low | 120 Ų | 120 | 131.2 Ų | 131.2 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | | | trans | -69.6 | 79.7 | 169.8 | -86.2 | 0 | 0 | 0 | 0 | 106.1 | P623 G627 | P623-C625 VanDerWaalsContact C-N 3.3Å; P623-C625 PolarHBondContact O-N 2.84Å; C625-G627 PolarHBondContact O-N 3.36Å |
| 626 | S | 37.2 | Very low | 40 | Very low | 118 Ų | 118 | 135.8 Ų | 135.8 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | trans | -66.3 | 44.5 | 153.1 | 51.3 | 0 | 0 | 0 | 0 | 109.6 | E624 | E624-S626 PolarHBondContact O-N 2.97Å; E624-S626 PolarHBondContact O-OG 3.22Å |
| 627 | G | 34.2 | Very low | 39.8 | Very low | 44 Ų | 44 | 133.5 Ų | 133.5 | 45% | 0.454 | 78% | 0.781 | S | S | . | * | | | trans | -96.8 | 91.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 105.7 | C625 F629 | C625-G627 PolarHBondContact O-N 3.36Å; G627-F629 VanDerWaalsContact C-N 3.31Å; G627-F629 PolarHBondContact O-N 3.14Å |
| 628 | S | 34.7 | Very low | 39 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | -49.2 | 101.4 | 160.1 | 50.3 | 0 | 0 | 0 | 0 | 107.6 | P630 | S628-P630 VanDerWaalsContact O-CD 3.22Å; S628-P630 WeakPolarHBondContact O-CD 3.36Å |
| 629 | F | 33.1 | Very low | 38.2 | Very low | 179 Ų | 179 | 131.2 Ų | 131.2 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | | | trans | -64.4 | 120.4 | 168.6 | -86.7 | -89.5 | 0 | 0 | 0 | 106.5 | G627 V631 | G627-F629 VanDerWaalsContact C-N 3.31Å; G627-F629 PolarHBondContact O-N 3.14Å; F629-V631 VanDerWaalsContact C-N 3.34Å; F629-V631 PolarHBondContact O-N 3.45Å |
| 630 | P | 39.8 | Very low | 37.4 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | | | trans | -65.9 | 100.7 | 169.5 | 25.5 | -29.4 | 0 | 0 | 0 | 107.7 | S628 E632 | S628-P630 VanDerWaalsContact O-CD 3.22Å; S628-P630 WeakPolarHBondContact O-CD 3.36Å; P630-E632 PolarHBondContact O-N 2.96Å |
| 631 | V | 36.9 | Very low | 36.9 | Very low | 136 Ų | 136 | 136.6 Ų | 136.6 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | | | trans | -73.6 | 67.7 | 172.7 | -178.1 | 0 | 0 | 0 | 0 | 108.1 | F629 | F629-V631 VanDerWaalsContact C-N 3.34Å; F629-V631 PolarHBondContact O-N 3.45Å |
| 632 | E | 38.6 | Very low | 36.7 | Very low | 169 Ų | 169 | 136 Ų | 136 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | | | trans | -155.8 | 78.6 | 165.1 | -78.4 | -144.9 | -169.7 | 0 | 0 | 110.2 | P630 | P630-E632 PolarHBondContact O-N 2.96Š|
| 633 | Q | 37.5 | Very low | 36.3 | Very low | 193 Ų | 193 | 134 Ų | 134 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | | | trans | -139.7 | 73 | 148.6 | -72.5 | -161.2 | -13.9 | 0 | 0 | 109.1 | | |
| 634 | S | 35.8 | Very low | 36 | Very low | 115 Ų | 115 | 140.3 Ų | 140.3 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -59.9 | 128.7 | 150.4 | 47 | 0 | 0 | 0 | 0 | 108.6 | | |
| 635 | G | 29 | Very low | 36 | Very low | 71 Ų | 71 | 139 Ų | 139 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | | | trans | 81.2 | 75.3 | 159.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 636 | R | 29.6 | Very low | 36.5 | Very low | 245 Ų | 245 | 138.8 Ų | 138.8 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | | | trans | -153.5 | 98.7 | 138.5 | -105.2 | 162.2 | -157.1 | -101 | 4.5 | 109.5 | | |
| 637 | L | 39.2 | Very low | 36.7 | Very low | 173 Ų | 173 | 139 Ų | 139 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | | | trans | -48.7 | 144.2 | 161.1 | -67.8 | 160.2 | 0 | 0 | 0 | 110.2 | | |
| 638 | A | 35.9 | Very low | 37.1 | Very low | 89 Ų | 89 | 141.8 Ų | 141.8 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | | | trans | 62.5 | 66.9 | 158 | 0 | 0 | 0 | 0 | 0 | 116.9 | S640 | A638-S640 VanDerWaalsContact C-N 3.27Å; A638-S640 PolarHBondContact O-N 3.05Å; A638-S640 VanDerWaalsContact O-N 3.11Å |
| 639 | S | 36.6 | Very low | 37 | Very low | 125 Ų | 125 | 144.5 Ų | 144.5 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | | | trans | -73.9 | 94.6 | 144.9 | -79.1 | 0 | 0 | 0 | 0 | 108.1 | Y641 | S639-Y641 PolarHBondContact O-N 2.87Š|
| 640 | S | 35.5 | Very low | 37.4 | Very low | 100 Ų | 100 | 141.7 Ų | 141.7 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | | | trans | -28.3 | 122.8 | 168.7 | -53 | 0 | 0 | 0 | 0 | 113.4 | A638 S642 | A638-S640 VanDerWaalsContact C-N 3.27Å; A638-S640 PolarHBondContact O-N 3.05Å; A638-S640 VanDerWaalsContact O-N 3.11Å; S640-S642 PolarHBondContact O-N 3.16Å |
| 641 | Y | 34.5 | Very low | 37.4 | Very low | 241 Ų | 241 | 142.5 Ų | 142.5 | 95% | 0.945 | 81% | 0.81 | S | S | * | * | | | trans | -54.1 | 99 | 158.6 | -108.5 | -105.1 | 0 | 0 | 0 | 108.3 | S639 | S639-Y641 PolarHBondContact O-N 2.87Š|
| 642 | S | 39.9 | Very low | 37.5 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | | | trans | -110.1 | 40.6 | 165.1 | 81.5 | 0 | 0 | 0 | 0 | 110.3 | S640 R644 | S640-S642 PolarHBondContact O-N 3.16Å; S642-R644 PolarHBondContact O-N 2.76Å |
| 643 | G | 32 | Very low | 37.5 | Very low | 60 Ų | 60 | 140 Ų | 140 | 62% | 0.619 | 81% | 0.806 | S | S | * | * | | | trans | -79.9 | 95.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | L645 | G643-L645 PolarHBondContact O-N 3.45Š|
| 644 | R | 37.8 | Very low | 37.5 | Very low | 244 Ų | 244 | 133.9 Ų | 133.9 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | | | trans | -48.4 | 110 | 171.9 | -71.1 | 179.3 | 174.8 | -132.1 | 0.2 | 108.4 | S642 | S642-R644 PolarHBondContact O-N 2.76Š|
| 645 | L | 43.6 | Very low | 37.8 | Very low | 154 Ų | 154 | 135.4 Ų | 135.4 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | | | trans | -56.4 | 134.5 | 163.9 | -74.6 | 166.7 | 0 | 0 | 0 | 107 | G643 S647 | G643-L645 PolarHBondContact O-N 3.45Å; L645-S647 PolarHBondContact O-N 2.91Å |
| 646 | P | 44 | Very low | 38.2 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | | | trans | -55.4 | 109.5 | 177.2 | 20.5 | -30 | 0 | 0 | 0 | 108.9 | S648 | P646-S648 PolarHBondContact O-N 3.06Š|
| 647 | S | 42.6 | Very low | 38.8 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -75 | 69.7 | 177.5 | 56.7 | 0 | 0 | 0 | 0 | 109.5 | L645 | L645-S647 PolarHBondContact O-N 2.91Š|
| 648 | S | 41.7 | Very low | 38.7 | Very low | 102 Ų | 102 | 131.2 Ų | 131.2 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | | | trans | -176.1 | 64 | 166.3 | 60.1 | 0 | 0 | 0 | 0 | 109.9 | P646 | P646-S648 PolarHBondContact O-N 3.06Š|
| 649 | M | 32.3 | Very low | 38.6 | Very low | 172 Ų | 172 | 141.3 Ų | 141.3 | 85% | 0.847 | 81% | 0.807 | S | S | * | * | | | trans | -85.6 | 120.2 | 149.5 | -117.5 | 176 | 44.9 | 0 | 0 | 105.4 | V651 | M649-V651 PolarHBondContact O-N 2.91Š|
| 650 | P | 42.2 | Very low | 38.7 | Very low | 119 Ų | 119 | 142.1 Ų | 142.1 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | | | trans | -57.9 | 113 | 178.4 | 23.7 | -31.3 | 0 | 0 | 0 | 107.5 | G652 | P650-G652 VanDerWaalsContact C-N 3.31Å; P650-G652 PolarHBondContact O-N 2.92Å |
| 651 | V | 40.7 | Very low | 38.9 | Very low | 139 Ų | 139 | 144.3 Ų | 144.3 | 84% | 0.842 | 81% | 0.809 | S | S | * | * | | | trans | -60.9 | 105.4 | 164.9 | 175.6 | 0 | 0 | 0 | 0 | 104.1 | M649 E653 | M649-V651 PolarHBondContact O-N 2.91Å; V651-E653 PolarHBondContact O-N 3.2Å |
| 652 | G | 38.9 | Very low | 39.1 | Very low | 62 Ų | 62 | 138.9 Ų | 138.9 | 64% | 0.639 | 80% | 0.802 | S | S | * | * | | | trans | -49 | 125 | 176.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | P650 G654 | P650-G652 VanDerWaalsContact C-N 3.31Å; P650-G652 PolarHBondContact O-N 2.92Å; G652-G654 PolarHBondContact O-N 3.01Å |
| 653 | E | 37.7 | Very low | 39.1 | Very low | 189 Ų | 189 | 140.7 Ų | 140.7 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | | | trans | -43.9 | 110.5 | 172.6 | -91.2 | 160.7 | 138.4 | 0 | 0 | 108.6 | V651 I655 | V651-E653 PolarHBondContact O-N 3.2Å; E653-I655 PolarHBondContact O-N 3.27Å; E653-I655 VanDerWaalsContact O-N 3.11Å |
| 654 | G | 38.8 | Very low | 39.5 | Very low | 65 Ų | 65 | 145.8 Ų | 145.8 | 67% | 0.67 | 82% | 0.816 | S | S | * | * | | | trans | -56.1 | 117.4 | 166 | 0 | 0 | 0 | 0 | 0 | 106.8 | G652 N656 | G652-G654 PolarHBondContact O-N 3.01Å; G654-N656 VanDerWaalsContact C-N 3.29Å; G654-N656 PolarHBondContact O-N 3.43Å |
| 655 | I | 41.2 | Very low | 39.7 | Very low | 147 Ų | 147 | 139.2 Ų | 139.2 | 75% | 0.754 | 81% | 0.809 | S | S | * | * | | | trans | -61 | 98.4 | 172.4 | -38.1 | 169.5 | 0 | 0 | 0 | 104.9 | E653 E657 | E653-I655 PolarHBondContact O-N 3.27Å; E653-I655 VanDerWaalsContact O-N 3.11Å; I655-E657 HydrophobicContact CG2-CG 4.13Å; I655-E657 PolarHBondContact O-N 3.15Å |
| 656 | N | 38 | Very low | 39.4 | Very low | 166 Ų | 166 | 138.1 Ų | 138.1 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | | | trans | -67.4 | 83.1 | 166 | -94.2 | -31.1 | 0 | 0 | 0 | 106.8 | G654 G658 | G654-N656 VanDerWaalsContact C-N 3.29Å; G654-N656 PolarHBondContact O-N 3.43Å; N656-G658 PolarHBondContact O-N 3.45Å |
| 657 | E | 40.6 | Very low | 39 | Very low | 158 Ų | 158 | 139.9 Ų | 139.9 | 74% | 0.738 | 81% | 0.813 | S | S | * | * | | | trans | -76.8 | 102.2 | 157.7 | -75.3 | -173.7 | 172.6 | 0 | 0 | 107 | I655 Y659 | I655-E657 HydrophobicContact CG2-CG 4.13Å; I655-E657 PolarHBondContact O-N 3.15Å; E657-Y659 PolarHBondContact O-N 3.43Å |
| 658 | G | 38.6 | Very low | 38.7 | Very low | 77 Ų | 77 | 141.4 Ų | 141.4 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | | | trans | -59.3 | 125.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | N656 | N656-G658 PolarHBondContact O-N 3.45Š|
| 659 | Y | 34 | Very low | 38.5 | Very low | 301 Ų | 301 | 145 Ų | 145 | 100% | 1.18 | 82% | 0.819 | S | S | * | * | | | trans | -95.5 | 0 | 151.3 | -82.8 | -87.5 | 0 | 0 | 0 | 109.4 | E657 | E657-Y659 PolarHBondContact O-N 3.43Š|