| 1 | M | 52.8 | Low | 57.5 | Low | 194 Ų | 194 | 126.7 Ų | 126.7 | 96% | 0.956 | 64% | 0.643 | S | S | * | * | | | | 0 | -70.8 | 0 | -67.7 | -55.2 | -98.4 | 0 | 0 | 112.2 | T3 L4 | M1-T3 VanDerWaalsContact C-N 3.27Å; M1-T3 PolarHBondContact O-N 3.47Å; M1-T3 VanDerWaalsContact O-N 3.09Å; M1-L4 PolarHBondContact O-N 3.42Å |
| 2 | Q | 53.6 | Low | 57.7 | Low | 167 Ų | 167 | 125.3 Ų | 125.3 | 78% | 0.78 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -50.1 | -39.2 | -174.3 | -70.9 | 167.9 | -21.7 | 0 | 0 | 115 | L4 Q5 A6 | Q2-L4 VanDerWaalsContact C-N 3.33Å; Q2-L4 PolarHBondContact O-N 3.21Å; Q2-Q5 PolarHBondContact O-N 3.05Å; Q2-A6 PolarHBondContact O-N 3.49Å; Q2-A6 VanDerWaalsContact O-N 3.11Å |
| 3 | T | 56 | Low | 57.6 | Low | 103 Ų | 103 | 127.5 Ų | 127.5 | 63% | 0.632 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -59.6 | -35.5 | 177.6 | 45.6 | 0 | 0 | 0 | 0 | 114.4 | M1 N7 | M1-T3 VanDerWaalsContact C-N 3.27Å; M1-T3 PolarHBondContact O-N 3.47Å; M1-T3 VanDerWaalsContact O-N 3.09Å; T3-N7 PolarHBondContact O-N 3.27Å |
| 4 | L | 56.9 | Low | 57.7 | Low | 103 Ų | 103 | 123.4 Ų | 123.4 | 54% | 0.539 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -70.7 | -40.5 | 176.2 | -71.4 | 167.5 | 0 | 0 | 0 | 111.1 | M1 Q2 A6 N7 F8 | M1-L4 PolarHBondContact O-N 3.42Å; Q2-L4 VanDerWaalsContact C-N 3.33Å; Q2-L4 PolarHBondContact O-N 3.21Å; L4-A6 VanDerWaalsContact C-N 3.33Å; L4-A6 PolarHBondContact O-N 3.44Å; L4-N7 PolarHBondContact O-N 2.98Å; L4-F8 VanDerWaalsContact O-CD2 3.31Å; L4-F8 WeakPolarHBondContact O-CD2 3.35Å; L4-F8 PolarHBondContact O-N 3.31Å |
| 5 | Q | 56.7 | Low | 57.7 | Low | 147 Ų | 147 | 126.1 Ų | 126.1 | 69% | 0.687 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -64.2 | -37.7 | 179.9 | -167.1 | 175 | 4.6 | 0 | 0 | 111.9 | Q2 S9 | Q2-Q5 PolarHBondContact O-N 3.05Å; Q5-S9 WeakPolarHBondContact O-CB 3.2Å; Q5-S9 PolarHBondContact O-N 2.77Å; Q5-S9 VanDerWaalsContact O-N 3.07Å |
| 6 | A | 59.2 | Low | 57.4 | Low | 56 Ų | 56 | 127.9 Ų | 127.9 | 46% | 0.463 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -61.2 | -46.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q2 L4 F8 S9 Y10 | Q2-A6 PolarHBondContact O-N 3.49Å; Q2-A6 VanDerWaalsContact O-N 3.11Å; L4-A6 VanDerWaalsContact C-N 3.33Å; L4-A6 PolarHBondContact O-N 3.44Å; A6-F8 PolarHBondContact O-N 2.9Å; A6-S9 WeakPolarHBondContact O-CB 3.22Å; A6-S9 PolarHBondContact O-N 3.41Å; A6-Y10 PolarHBondContact O-N 3.41Å |
| 7 | N | 58.6 | Low | 57.4 | Low | 110 Ų | 110 | 123.6 Ų | 123.6 | 59% | 0.588 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -64.2 | -41.1 | -179.6 | -69.7 | -10.9 | 0 | 0 | 0 | 112.5 | T3 L4 Y10 L11 | T3-N7 PolarHBondContact O-N 3.27Å; L4-N7 PolarHBondContact O-N 2.98Å; N7-Y10 PolarHBondContact O-N 2.81Å; N7-L11 PolarHBondContact O-N 3.5Å; N7-L11 VanDerWaalsContact O-N 3.08Å |
| 8 | F | 59.5 | Low | 57.4 | Low | 138 Ų | 138 | 126.2 Ų | 126.2 | 61% | 0.605 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -63.3 | -42.4 | 173.2 | -84.1 | -71.9 | 0 | 0 | 0 | 112.4 | L4 A6 Y10 L11 L12 | L4-F8 VanDerWaalsContact O-CD2 3.31Å; L4-F8 WeakPolarHBondContact O-CD2 3.35Å; L4-F8 PolarHBondContact O-N 3.31Å; A6-F8 PolarHBondContact O-N 2.9Å; F8-Y10 VanDerWaalsContact C-N 3.33Å; F8-Y10 PolarHBondContact O-N 2.8Å; F8-L11 PolarHBondContact O-N 2.96Å; F8-L12 VanDerWaalsContact O-CD1 3.23Å; F8-L12 WeakPolarHBondContact O-CD1 3.28Å; F8-L12 PolarHBondContact O-N 3.38Å |
| 9 | S | 59.8 | Low | 57.6 | Low | 60 Ų | 60 | 123.5 Ų | 123.5 | 42% | 0.42 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -59.2 | -42.5 | 176.4 | -173.1 | 0 | 0 | 0 | 0 | 112.1 | Q5 A6 L12 K13 | Q5-S9 WeakPolarHBondContact O-CB 3.2Å; Q5-S9 PolarHBondContact O-N 2.77Å; Q5-S9 VanDerWaalsContact O-N 3.07Å; A6-S9 WeakPolarHBondContact O-CB 3.22Å; A6-S9 PolarHBondContact O-N 3.41Å; S9-L12 PolarHBondContact O-N 3.5Å; S9-K13 WeakPolarHBondContact O-CG 3.28Å; S9-K13 PolarHBondContact O-N 2.99Å |
| 10 | Y | 60.2 | Low | 58 | Low | 190 Ų | 190 | 119.3 Ų | 119.3 | 75% | 0.745 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.2 | -40.3 | 176.9 | -138 | -85.5 | 0 | 0 | 0 | 112.3 | A6 N7 F8 S14 | A6-Y10 PolarHBondContact O-N 3.41Å; N7-Y10 PolarHBondContact O-N 2.81Å; F8-Y10 VanDerWaalsContact C-N 3.33Å; F8-Y10 PolarHBondContact O-N 2.8Å; Y10-S14 VanDerWaalsContact O-CB 3.31Å; Y10-S14 WeakPolarHBondContact O-CB 3.48Å; Y10-S14 PolarHBondContact O-N 3.26Å |
| 11 | L | 59 | Low | 58.9 | Low | 126 Ų | 126 | 117.4 Ų | 117.4 | 66% | 0.66 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.8 | -42.5 | 178 | -133.1 | 76 | 0 | 0 | 0 | 112.4 | N7 F8 K15 | N7-L11 PolarHBondContact O-N 3.5Å; N7-L11 VanDerWaalsContact O-N 3.08Å; F8-L11 PolarHBondContact O-N 2.96Å; L11-K15 WeakPolarHBondContact O-CB 3.46Å; L11-K15 PolarHBondContact O-N 3.39Å; L11-K15 VanDerWaalsContact O-N 3.1Å |
| 12 | L | 59.7 | Low | 60.3 | Low | 109 Ų | 109 | 113.2 Ų | 113.2 | 57% | 0.571 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.7 | -43.9 | 177.3 | -89.5 | 78.6 | 0 | 0 | 0 | 111.9 | F8 S9 K15 F16 | F8-L12 VanDerWaalsContact O-CD1 3.23Å; F8-L12 WeakPolarHBondContact O-CD1 3.28Å; F8-L12 PolarHBondContact O-N 3.38Å; S9-L12 PolarHBondContact O-N 3.5Å; L12-K15 PolarHBondContact O-N 3.2Å; L12-F16 PolarHBondContact O-N 3.09Å |
| 13 | K | 56.8 | Low | 61.9 | Low | 155 Ų | 155 | 108.7 Ų | 108.7 | 67% | 0.674 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.8 | -42.8 | 177.4 | -73.9 | -176.4 | 178.8 | -173.4 | 0 | 112.2 | S9 K15 F16 G17 | S9-K13 WeakPolarHBondContact O-CG 3.28Å; S9-K13 PolarHBondContact O-N 2.99Å; K13-K15 VanDerWaalsContact C-N 3.33Å; K13-K15 PolarHBondContact O-N 3.1Å; K13-F16 PolarHBondContact O-N 2.95Å; K13-G17 PolarHBondContact O-N 3.05Å; K13-G17 VanDerWaalsContact O-N 3.11Å |
| 14 | S | 59 | Low | 63.5 | Low | 69 Ų | 69 | 108.7 Ų | 108.7 | 48% | 0.483 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -57 | -46.1 | 173.2 | -178.7 | 0 | 0 | 0 | 0 | 111.6 | Y10 F16 G17 Y18 | Y10-S14 VanDerWaalsContact O-CB 3.31Å; Y10-S14 WeakPolarHBondContact O-CB 3.48Å; Y10-S14 PolarHBondContact O-N 3.26Å; S14-F16 PolarHBondContact O-N 2.8Å; S14-G17 PolarHBondContact O-N 3.2Å; S14-Y18 WeakPolarHBondContact O-CD2 3.46Å |
| 15 | K | 57.1 | Low | 65.1 | Low | 164 Ų | 164 | 108.5 Ų | 108.5 | 71% | 0.713 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.1 | -35.2 | -179.5 | -158.7 | 171 | -174.6 | 178.3 | 0 | 113.4 | L11 L12 K13 | L11-K15 WeakPolarHBondContact O-CB 3.46Å; L11-K15 PolarHBondContact O-N 3.39Å; L11-K15 VanDerWaalsContact O-N 3.1Å; L12-K15 PolarHBondContact O-N 3.2Å; K13-K15 VanDerWaalsContact C-N 3.33Å; K13-K15 PolarHBondContact O-N 3.1Å |
| 16 | F | 54.2 | Low | 66.9 | Low | 156 Ų | 156 | 108.6 Ų | 108.6 | 68% | 0.684 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -72.3 | -31.5 | 175.2 | -100.9 | -88.8 | 0 | 0 | 0 | 113.8 | L12 K13 S14 Y18 T19 | L12-F16 PolarHBondContact O-N 3.09Å; K13-F16 PolarHBondContact O-N 2.95Å; S14-F16 PolarHBondContact O-N 2.8Å; F16-Y18 VanDerWaalsContact C-N 3.27Å; F16-Y18 PolarHBondContact O-N 3.29Å; F16-T19 PolarHBondContact O-N 2.89Å; F16-T19 VanDerWaalsContact O-N 3.15Å; F16-T19 PolarHBondContact O-OG1 2.74Å |
| 17 | G | 57.3 | Low | 68.6 | Low | 54 Ų | 54 | 110.7 Ų | 110.7 | 56% | 0.557 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -57.7 | -39.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | K13 S14 | K13-G17 PolarHBondContact O-N 3.05Å; K13-G17 VanDerWaalsContact O-N 3.11Å; S14-G17 PolarHBondContact O-N 3.2Å |
| 18 | Y | 56.2 | Low | 70.4 | Confident | 170 Ų | 170 | 110.1 Ų | 110.1 | 67% | 0.667 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -70.2 | -30.7 | 177.2 | -80.5 | -89.7 | 0 | 0 | 0 | 113.8 | S14 F16 G20 N21 L22 | S14-Y18 WeakPolarHBondContact O-CD2 3.46Å; F16-Y18 VanDerWaalsContact C-N 3.27Å; F16-Y18 PolarHBondContact O-N 3.29Å; Y18-G20 PolarHBondContact O-N 3.08Å; Y18-N21 PolarHBondContact O-N 3.39Å; Y18-L22 WeakPolarHBondContact O-CG 3.34Å; Y18-L22 PolarHBondContact O-N 2.87Å |
| 19 | T | 61 | Low | 72.1 | Confident | 76 Ų | 76 | 109.2 Ų | 109.2 | 47% | 0.466 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.8 | -33 | -177.6 | 51.6 | 0 | 0 | 0 | 0 | 113.1 | F16 L22 E23 | F16-T19 PolarHBondContact O-N 2.89Å; F16-T19 VanDerWaalsContact O-N 3.15Å; F16-T19 PolarHBondContact O-OG1 2.74Å; T19-L22 PolarHBondContact O-N 2.83Å; T19-E23 PolarHBondContact O-N 2.88Å |
| 20 | G | 67.4 | Low | 73.9 | Confident | 38 Ų | 38 | 109.9 Ų | 109.9 | 39% | 0.392 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y18 N24 | Y18-G20 PolarHBondContact O-N 3.08Å; G20-N24 VanDerWaalsContact O-CG 3.24Å; G20-N24 PolarHBondContact O-N 2.82Å; G20-N24 VanDerWaalsContact O-N 3.13Å; G20-N24 PolarHBondContact O-ND2 2.74Å |
| 21 | N | 75.6 | Confident | 75.7 | Confident | 81 Ų | 81 | 106.8 Ų | 106.8 | 43% | 0.433 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 176.7 | -174.5 | 71.8 | 0 | 0 | 0 | 112.3 | Y18 E23 N24 E25 | Y18-N21 PolarHBondContact O-N 3.39Å; N21-E23 PolarHBondContact O-N 3.43Å; N21-N24 PolarHBondContact O-N 3.35Å; N21-E25 PolarHBondContact ND2-OE1 2.89Å; N21-E25 WeakPolarHBondContact O-CG 3.29Å; N21-E25 PolarHBondContact O-N 3.41Å |
| 22 | L | 81.6 | Confident | 77.5 | Confident | 106 Ų | 106 | 104.9 Ų | 104.9 | 56% | 0.555 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.9 | -37.9 | -179.6 | -70.8 | 169.8 | 0 | 0 | 0 | 113.3 | Y18 T19 R26 | Y18-L22 WeakPolarHBondContact O-CG 3.34Å; Y18-L22 PolarHBondContact O-N 2.87Å; T19-L22 PolarHBondContact O-N 2.83Å; L22-R26 WeakPolarHBondContact O-CB 3.25Å; L22-R26 PolarHBondContact O-N 2.99Å |
| 23 | E | 88.4 | Confident | 79.3 | Confident | 71 Ų | 71 | 105 Ų | 105 | 33% | 0.332 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -72.9 | -34.6 | 175.3 | -172.9 | 57.2 | -144.7 | 0 | 0 | 111.6 | T19 N21 R26 Q27 | T19-E23 PolarHBondContact O-N 2.88Å; N21-E23 PolarHBondContact O-N 3.43Å; E23-R26 WeakPolarHBondContact O-CB 3.37Å; E23-R26 PolarHBondContact O-N 2.92Å; E23-R26 IonicContact OE1-NH1 2.67Å; E23-R26 PolarHBondContact OE1-NH1 2.97Å; E23-R26 WeakPolarHBondContact OE2-CD 3.46Å; E23-R26 IonicContact OE2-CZ 3.28Å; E23-R26 IonicContact OE2-NE 3.24Å; E23-R26 IonicContact OE2-NH1 2.65Å; E23-R26 PolarHBondContact OE2-NH1 3.09Å; E23-Q27 WeakPolarHBondContact O-CG 3.32Å; E23-Q27 PolarHBondContact O-N 2.87Å |
| 24 | N | 89.8 | Confident | 81.3 | Confident | 103 Ų | 103 | 104.2 Ų | 104.2 | 55% | 0.551 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.6 | -44.5 | 171.5 | -70.3 | -16.4 | 0 | 0 | 0 | 111.9 | G20 N21 R26 Q27 H28 | G20-N24 VanDerWaalsContact O-CG 3.24Å; G20-N24 PolarHBondContact O-N 2.82Å; G20-N24 VanDerWaalsContact O-N 3.13Å; G20-N24 PolarHBondContact O-ND2 2.74Å; N21-N24 PolarHBondContact O-N 3.35Å; N24-R26 VanDerWaalsContact C-N 3.35Å; N24-R26 PolarHBondContact O-N 3.37Å; N24-Q27 PolarHBondContact O-N 3.4Å; N24-H28 WeakPolarHBondContact O-CB 3.38Å; N24-H28 PolarHBondContact O-N 3.32Å |
| 25 | E | 90.9 | Very high | 83.2 | Confident | 99 Ų | 99 | 104.9 Ų | 104.9 | 46% | 0.463 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61 | -42.1 | 173.7 | -76 | 178 | -170.3 | 0 | 0 | 111.7 | N21 H28 L29 | N21-E25 PolarHBondContact ND2-OE1 2.89Å; N21-E25 WeakPolarHBondContact O-CG 3.29Å; N21-E25 PolarHBondContact O-N 3.41Å; E25-H28 PolarHBondContact O-N 2.88Å; E25-L29 WeakPolarHBondContact O-CB 3.24Å; E25-L29 VanDerWaalsContact O-CG 3.32Å; E25-L29 WeakPolarHBondContact O-CG 3.34Å; E25-L29 PolarHBondContact O-N 3.08Å |
| 26 | R | 93.8 | Very high | 85.1 | Confident | 150 Ų | 150 | 100.5 Ų | 100.5 | 57% | 0.566 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.7 | -44.2 | 175.4 | -173.4 | -164.9 | -175.8 | -167 | -0.2 | 111.8 | L22 E23 N24 L29 I30 | L22-R26 WeakPolarHBondContact O-CB 3.25Å; L22-R26 PolarHBondContact O-N 2.99Å; E23-R26 WeakPolarHBondContact O-CB 3.37Å; E23-R26 PolarHBondContact O-N 2.92Å; E23-R26 IonicContact OE1-NH1 2.67Å; E23-R26 PolarHBondContact OE1-NH1 2.97Å; E23-R26 WeakPolarHBondContact OE2-CD 3.46Å; E23-R26 IonicContact OE2-CZ 3.28Å; E23-R26 IonicContact OE2-NE 3.24Å; E23-R26 IonicContact OE2-NH1 2.65Å; E23-R26 PolarHBondContact OE2-NH1 3.09Å; N24-R26 VanDerWaalsContact C-N 3.35Å; N24-R26 PolarHBondContact O-N 3.37Å; R26-L29 PolarHBondContact O-N 3.37Å; R26-I30 HydrophobicContact CG-CD1 4.27Å; R26-I30 VanDerWaalsContact O-CG1 3.3Å; R26-I30 WeakPolarHBondContact O-CG1 3.42Å; R26-I30 PolarHBondContact O-N 3.38Å |
| 27 | Q | 94.9 | Very high | 87.2 | Confident | 99 Ų | 99 | 98.6 Ų | 98.6 | 46% | 0.463 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 175.9 | -72 | -179 | 29.5 | 0 | 0 | 111.6 | E23 N24 L29 I30 Q31 | E23-Q27 WeakPolarHBondContact O-CG 3.32Å; E23-Q27 PolarHBondContact O-N 2.87Å; N24-Q27 PolarHBondContact O-N 3.4Å; Q27-L29 PolarHBondContact O-N 3.25Å; Q27-I30 PolarHBondContact O-N 2.93Å; Q27-Q31 WeakPolarHBondContact O-CG 3.39Å; Q27-Q31 PolarHBondContact O-N 3.37Å |
| 28 | H | 95.6 | Very high | 89.2 | Confident | 98 Ų | 98 | 98.4 Ų | 98.4 | 45% | 0.454 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.7 | -44.8 | 173.5 | -171.6 | 85.2 | 0 | 0 | 0 | 111.6 | N24 E25 I30 Q31 Q32 | N24-H28 WeakPolarHBondContact O-CB 3.38Å; N24-H28 PolarHBondContact O-N 3.32Å; E25-H28 PolarHBondContact O-N 2.88Å; H28-I30 VanDerWaalsContact C-N 3.32Å; H28-I30 PolarHBondContact O-N 2.79Å; H28-Q31 WeakPolarHBondContact O-CB 3.26Å; H28-Q31 PolarHBondContact O-N 3.48Å; H28-Q31 VanDerWaalsContact O-N 3.17Å; H28-Q32 PolarHBondContact NE2-NE2 3Å; H28-Q32 WeakPolarHBondContact O-CG 3.29Å; H28-Q32 PolarHBondContact O-N 2.9Å |
| 29 | L | 96.6 | Very high | 91.2 | Very high | 120 Ų | 120 | 96.8 Ų | 96.8 | 63% | 0.628 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.8 | -37.4 | 175.1 | -73.2 | 169.1 | 0 | 0 | 0 | 112.4 | E25 R26 Q27 Q33 | E25-L29 WeakPolarHBondContact O-CB 3.24Å; E25-L29 VanDerWaalsContact O-CG 3.32Å; E25-L29 WeakPolarHBondContact O-CG 3.34Å; E25-L29 PolarHBondContact O-N 3.08Å; R26-L29 PolarHBondContact O-N 3.37Å; Q27-L29 PolarHBondContact O-N 3.25Å; L29-Q33 WeakPolarHBondContact O-CB 3.45Å; L29-Q33 PolarHBondContact O-N 3.36Å |
| 30 | I | 97.3 | Very high | 92.9 | Very high | 74 Ų | 74 | 96 Ų | 96 | 38% | 0.379 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.7 | -41.9 | 173.4 | -70.3 | 164 | 0 | 0 | 0 | 111 | R26 Q27 H28 Q33 K34 | R26-I30 HydrophobicContact CG-CD1 4.27Å; R26-I30 VanDerWaalsContact O-CG1 3.3Å; R26-I30 WeakPolarHBondContact O-CG1 3.42Å; R26-I30 PolarHBondContact O-N 3.38Å; Q27-I30 PolarHBondContact O-N 2.93Å; H28-I30 VanDerWaalsContact C-N 3.32Å; H28-I30 PolarHBondContact O-N 2.79Å; I30-Q33 PolarHBondContact O-N 3.44Å; I30-K34 HydrophobicContact CG2-CD 4.33Å; I30-K34 WeakPolarHBondContact O-CG 3.3Å; I30-K34 PolarHBondContact O-N 3.37Å |
| 31 | Q | 97.5 | Very high | 94.4 | Very high | 125 Ų | 125 | 102.8 Ų | 102.8 | 58% | 0.584 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.4 | -46.2 | 174.8 | -72 | 179.2 | -5.3 | 0 | 0 | 111.7 | Q27 H28 Q33 K34 L35 | Q27-Q31 WeakPolarHBondContact O-CG 3.39Å; Q27-Q31 PolarHBondContact O-N 3.37Å; H28-Q31 WeakPolarHBondContact O-CB 3.26Å; H28-Q31 PolarHBondContact O-N 3.48Å; H28-Q31 VanDerWaalsContact O-N 3.17Å; Q31-Q33 VanDerWaalsContact C-N 3.33Å; Q31-Q33 PolarHBondContact O-N 2.96Å; Q31-K34 WeakPolarHBondContact O-CB 3.49Å; Q31-K34 PolarHBondContact O-N 2.94Å; Q31-L35 WeakPolarHBondContact O-CB 3.21Å; Q31-L35 PolarHBondContact O-N 3.41Å |
| 32 | Q | 96.9 | Very high | 95.5 | Very high | 86 Ų | 86 | 106.1 Ų | 106.1 | 40% | 0.402 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.4 | -42.8 | 174.2 | -68.2 | -67.7 | -3.3 | 0 | 0 | 111.4 | H28 K34 L35 C36 | H28-Q32 PolarHBondContact NE2-NE2 3Å; H28-Q32 WeakPolarHBondContact O-CG 3.29Å; H28-Q32 PolarHBondContact O-N 2.9Å; Q32-K34 PolarHBondContact O-N 2.89Å; Q32-L35 PolarHBondContact O-N 2.79Å; Q32-C36 WeakPolarHBondContact O-CB 3.22Å; Q32-C36 PolarHBondContact O-N 2.89Å; Q32-C36 PolarHBondContact O-SG 2.89Å; Q32-C36 VanDerWaalsContact O-SG 3.39Å |
| 33 | Q | 98 | Very high | 96.3 | Very high | 110 Ų | 110 | 108.2 Ų | 108.2 | 51% | 0.514 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.6 | -40.3 | 176.7 | -160 | -158.8 | 69.8 | 0 | 0 | 112 | L29 I30 Q31 K37 | L29-Q33 WeakPolarHBondContact O-CB 3.45Å; L29-Q33 PolarHBondContact O-N 3.36Å; I30-Q33 PolarHBondContact O-N 3.44Å; Q31-Q33 VanDerWaalsContact C-N 3.33Å; Q31-Q33 PolarHBondContact O-N 2.96Å; Q33-K37 HydrophobicContact CG-CD 4.35Å; Q33-K37 WeakPolarHBondContact O-CB 3.36Å; Q33-K37 VanDerWaalsContact O-CG 3.27Å; Q33-K37 WeakPolarHBondContact O-CG 3.4Å; Q33-K37 PolarHBondContact O-N 3.4Å |
| 34 | K | 98.2 | Very high | 96.7 | Very high | 139 Ų | 139 | 109.7 Ų | 109.7 | 60% | 0.604 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.4 | -46.3 | 172.7 | -74.8 | 172.8 | 178.7 | -179.3 | 0 | 111 | I30 Q31 Q32 K37 A38 | I30-K34 HydrophobicContact CG2-CD 4.33Å; I30-K34 WeakPolarHBondContact O-CG 3.3Å; I30-K34 PolarHBondContact O-N 3.37Å; Q31-K34 WeakPolarHBondContact O-CB 3.49Å; Q31-K34 PolarHBondContact O-N 2.94Å; Q32-K34 PolarHBondContact O-N 2.89Å; K34-K37 PolarHBondContact O-N 3.11Å; K34-A38 WeakPolarHBondContact O-CB 3.32Å; K34-A38 PolarHBondContact O-N 3.01Å |
| 35 | L | 98.1 | Very high | 97.1 | Very high | 84 Ų | 84 | 110.5 Ų | 110.5 | 44% | 0.44 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.1 | -42.5 | 179.5 | -173.6 | 146.8 | 0 | 0 | 0 | 112.2 | Q31 Q32 A38 R39 | Q31-L35 WeakPolarHBondContact O-CB 3.21Å; Q31-L35 PolarHBondContact O-N 3.41Å; Q32-L35 PolarHBondContact O-N 2.79Å; L35-A38 PolarHBondContact O-N 3.31Å; L35-R39 WeakPolarHBondContact O-CB 3.44Å; L35-R39 PolarHBondContact O-N 2.75Å |
| 36 | C | 98.1 | Very high | 97.5 | Very high | 71 Ų | 71 | 108.8 Ų | 108.8 | 48% | 0.48 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 173.4 | -75 | 0 | 0 | 0 | 0 | 112.2 | Q32 A38 R39 A40 | Q32-C36 WeakPolarHBondContact O-CB 3.22Å; Q32-C36 PolarHBondContact O-N 2.89Å; Q32-C36 PolarHBondContact O-SG 2.89Å; Q32-C36 VanDerWaalsContact O-SG 3.39Å; C36-A38 PolarHBondContact O-N 3.01Å; C36-R39 PolarHBondContact O-N 2.88Å; C36-A40 WeakPolarHBondContact O-CB 3.4Å; C36-A40 PolarHBondContact O-N 3.25Å |
| 37 | K | 98.4 | Very high | 97.7 | Very high | 117 Ų | 117 | 105.1 Ų | 105.1 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 174.3 | -76 | 168.7 | 172.1 | 175.3 | 0 | 111.8 | Q33 K34 R41 | Q33-K37 HydrophobicContact CG-CD 4.35Å; Q33-K37 WeakPolarHBondContact O-CB 3.36Å; Q33-K37 VanDerWaalsContact O-CG 3.27Å; Q33-K37 WeakPolarHBondContact O-CG 3.4Å; Q33-K37 PolarHBondContact O-N 3.4Å; K34-K37 PolarHBondContact O-N 3.11Å; K37-R41 WeakPolarHBondContact O-CG 3.39Å; K37-R41 PolarHBondContact O-N 3.3Å |
| 38 | A | 98.3 | Very high | 97.9 | Very high | 50 Ų | 50 | 103.3 Ų | 103.3 | 41% | 0.413 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.6 | -42.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | K34 L35 C36 R41 K42 | K34-A38 WeakPolarHBondContact O-CB 3.32Å; K34-A38 PolarHBondContact O-N 3.01Å; L35-A38 PolarHBondContact O-N 3.31Å; C36-A38 PolarHBondContact O-N 3.01Å; A38-R41 PolarHBondContact O-N 3.37Å; A38-K42 PolarHBondContact O-N 3.42Å |
| 39 | R | 98.1 | Very high | 98 | Very high | 135 Ų | 135 | 107.2 Ų | 107.2 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 176.4 | -168.8 | -175.8 | -69.3 | 179.2 | -2.3 | 111.5 | L35 C36 R41 K42 Y43 | L35-R39 WeakPolarHBondContact O-CB 3.44Å; L35-R39 PolarHBondContact O-N 2.75Å; C36-R39 PolarHBondContact O-N 2.88Å; R39-R41 PolarHBondContact O-N 3.04Å; R39-K42 PolarHBondContact O-N 3.5Å; R39-Y43 HydrophobicContact CG-CD2 4.2Å; R39-Y43 HydrophobicContact CG-CE2 3.56Å; R39-Y43 WeakPolarHBondContact O-CD2 3.4Å; R39-Y43 PolarHBondContact O-N 2.81Å |
| 40 | A | 98 | Very high | 98.1 | Very high | 59 Ų | 59 | 109 Ų | 109 | 49% | 0.488 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | C36 Y43 L44 | C36-A40 WeakPolarHBondContact O-CB 3.4Å; C36-A40 PolarHBondContact O-N 3.25Å; A40-Y43 PolarHBondContact O-N 3Å; A40-L44 PolarHBondContact O-N 3.33Å |
| 41 | R | 98.3 | Very high | 98.1 | Very high | 182 Ų | 182 | 112 Ų | 112 | 69% | 0.687 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.1 | -44 | 173.5 | -73.8 | 174.5 | 177.3 | -170.8 | -2.4 | 112.1 | K37 A38 R39 L44 Q45 | K37-R41 WeakPolarHBondContact O-CG 3.39Å; K37-R41 PolarHBondContact O-N 3.3Å; A38-R41 PolarHBondContact O-N 3.37Å; R39-R41 PolarHBondContact O-N 3.04Å; R41-L44 PolarHBondContact O-N 3.26Å; R41-Q45 WeakPolarHBondContact O-CG 3.16Å; R41-Q45 PolarHBondContact O-N 2.91Å |
| 42 | K | 98.3 | Very high | 98.1 | Very high | 151 Ų | 151 | 113.5 Ų | 113.5 | 66% | 0.657 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.8 | -44.3 | 175.5 | -72.8 | -171.1 | 175 | -171.4 | 0 | 112.1 | A38 R39 L44 Q45 E46 | A38-K42 PolarHBondContact O-N 3.42Å; R39-K42 PolarHBondContact O-N 3.5Å; K42-L44 PolarHBondContact O-N 3.41Å; K42-Q45 PolarHBondContact O-N 2.97Å; K42-E46 WeakPolarHBondContact O-CB 3.33Å; K42-E46 PolarHBondContact O-N 2.89Å |
| 43 | Y | 98.2 | Very high | 98.2 | Very high | 149 Ų | 149 | 111.4 Ų | 111.4 | 58% | 0.584 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.9 | -35.1 | 175.9 | -64.5 | -39.9 | 0 | 0 | 0 | 113.4 | R39 A40 T47 | R39-Y43 HydrophobicContact CG-CD2 4.2Å; R39-Y43 HydrophobicContact CG-CE2 3.56Å; R39-Y43 WeakPolarHBondContact O-CD2 3.4Å; R39-Y43 PolarHBondContact O-N 2.81Å; A40-Y43 PolarHBondContact O-N 3Å; Y43-T47 WeakPolarHBondContact O-CB 3.48Å; Y43-T47 PolarHBondContact O-N 3.32Å; Y43-T47 PolarHBondContact O-OG1 3.28Å |
| 44 | L | 98.3 | Very high | 98.2 | Very high | 102 Ų | 102 | 111.7 Ų | 111.7 | 53% | 0.534 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.3 | -45.5 | 174 | 178.3 | 60.2 | 0 | 0 | 0 | 111.8 | A40 R41 K42 E46 T47 N48 | A40-L44 PolarHBondContact O-N 3.33Å; R41-L44 PolarHBondContact O-N 3.26Å; K42-L44 PolarHBondContact O-N 3.41Å; L44-E46 VanDerWaalsContact C-N 3.34Å; L44-E46 PolarHBondContact O-N 3.18Å; L44-T47 PolarHBondContact O-N 3.1Å; L44-N48 WeakPolarHBondContact O-CB 3.27Å; L44-N48 PolarHBondContact O-N 3.39Å; L44-N48 PolarHBondContact O-ND2 3.15Å |
| 45 | Q | 98.2 | Very high | 98.2 | Very high | 120 Ų | 120 | 109.4 Ų | 109.4 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -57.9 | -46.1 | 174.3 | -74.4 | 172.1 | -28.9 | 0 | 0 | 111.3 | R41 K42 N48 R49 | R41-Q45 WeakPolarHBondContact O-CG 3.16Å; R41-Q45 PolarHBondContact O-N 2.91Å; K42-Q45 PolarHBondContact O-N 2.97Å; Q45-N48 PolarHBondContact O-N 3.32Å; Q45-R49 WeakPolarHBondContact O-CG 3.18Å; Q45-R49 PolarHBondContact O-N 3.18Å |
| 46 | E | 98.1 | Very high | 98.1 | Very high | 64 Ų | 64 | 109.9 Ų | 109.9 | 30% | 0.299 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.3 | -39.6 | 178.7 | 179.9 | 57.2 | -166.6 | 0 | 0 | 112.6 | K42 L44 N48 R49 R50 | K42-E46 WeakPolarHBondContact O-CB 3.33Å; K42-E46 PolarHBondContact O-N 2.89Å; L44-E46 VanDerWaalsContact C-N 3.34Å; L44-E46 PolarHBondContact O-N 3.18Å; E46-N48 VanDerWaalsContact C-N 3.3Å; E46-N48 PolarHBondContact O-N 2.79Å; E46-R49 PolarHBondContact O-N 2.97Å; E46-R50 WeakPolarHBondContact O-CG 3.39Å; E46-R50 PolarHBondContact O-N 3.48Å; E46-R50 IonicContact OE1-CZ 3.33Å; E46-R50 IonicContact OE1-NE 2.91Å; E46-R50 PolarHBondContact OE1-NE 3.45Å; E46-R50 IonicContact OE1-NH2 2.68Å; E46-R50 PolarHBondContact OE1-NH2 2.69Å |
| 47 | T | 98.3 | Very high | 98.1 | Very high | 73 Ų | 73 | 114.5 Ų | 114.5 | 45% | 0.448 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 173.4 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | Y43 L44 R51 | Y43-T47 WeakPolarHBondContact O-CB 3.48Å; Y43-T47 PolarHBondContact O-N 3.32Å; Y43-T47 PolarHBondContact O-OG1 3.28Å; L44-T47 PolarHBondContact O-N 3.1Å; T47-R51 PolarHBondContact O-N 2.76Å |
| 48 | N | 98.4 | Very high | 98.1 | Very high | 61 Ų | 61 | 116.7 Ų | 116.7 | 33% | 0.326 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.9 | -39.2 | 176.6 | -69.6 | -13.6 | 0 | 0 | 0 | 112.1 | L44 Q45 E46 R51 K52 | L44-N48 WeakPolarHBondContact O-CB 3.27Å; L44-N48 PolarHBondContact O-N 3.39Å; L44-N48 PolarHBondContact O-ND2 3.15Å; Q45-N48 PolarHBondContact O-N 3.32Å; E46-N48 VanDerWaalsContact C-N 3.3Å; E46-N48 PolarHBondContact O-N 2.79Å; N48-R51 PolarHBondContact O-N 3.41Å; N48-R51 PolarHBondContact OD1-NH1 3.09Å; N48-R51 PolarHBondContact OD1-NH2 3.45Å; N48-K52 PolarHBondContact O-N 2.74Å |
| 49 | R | 98.4 | Very high | 98.1 | Very high | 179 Ų | 179 | 119.8 Ų | 119.8 | 68% | 0.675 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -57.9 | -50 | 171.3 | -75.9 | 174.1 | 171.5 | -177.5 | -5.9 | 111.3 | Q45 E46 R51 K52 A53 | Q45-R49 WeakPolarHBondContact O-CG 3.18Å; Q45-R49 PolarHBondContact O-N 3.18Å; E46-R49 PolarHBondContact O-N 2.97Å; R49-R51 VanDerWaalsContact C-N 3.34Å; R49-R51 PolarHBondContact O-N 3.08Å; R49-K52 PolarHBondContact O-N 2.85Å; R49-A53 PolarHBondContact O-N 2.97Å |
| 50 | R | 98.1 | Very high | 98.1 | Very high | 158 Ų | 158 | 121 Ų | 121 | 60% | 0.596 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61 | -39.8 | 177.1 | -68.5 | 173.5 | -167.4 | -168.9 | 2.3 | 112.4 | E46 A53 L54 | E46-R50 WeakPolarHBondContact O-CG 3.39Å; E46-R50 PolarHBondContact O-N 3.48Å; E46-R50 IonicContact OE1-CZ 3.33Å; E46-R50 IonicContact OE1-NE 2.91Å; E46-R50 PolarHBondContact OE1-NE 3.45Å; E46-R50 IonicContact OE1-NH2 2.68Å; E46-R50 PolarHBondContact OE1-NH2 2.69Å; R50-A53 PolarHBondContact O-N 2.94Å; R50-L54 WeakPolarHBondContact O-CG 3.28Å; R50-L54 PolarHBondContact O-N 2.79Å |
| 51 | R | 98.1 | Very high | 98 | Very high | 137 Ų | 137 | 126.7 Ų | 126.7 | 52% | 0.517 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.9 | -47.8 | 175.5 | -163.4 | -174.9 | -55.1 | 102.8 | 4.9 | 111.5 | T47 N48 R49 A53 L54 E55 | T47-R51 PolarHBondContact O-N 2.76Å; N48-R51 PolarHBondContact O-N 3.41Å; N48-R51 PolarHBondContact OD1-NH1 3.09Å; N48-R51 PolarHBondContact OD1-NH2 3.45Å; R49-R51 VanDerWaalsContact C-N 3.34Å; R49-R51 PolarHBondContact O-N 3.08Å; R51-A53 PolarHBondContact O-N 3.27Å; R51-L54 PolarHBondContact O-N 3.37Å; R51-E55 WeakPolarHBondContact O-CB 3.48Å; R51-E55 PolarHBondContact O-N 3.44Å |
| 52 | K | 98.2 | Very high | 98 | Very high | 156 Ų | 156 | 121.7 Ų | 121.7 | 68% | 0.678 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -58.3 | -46.9 | 175.6 | -75.6 | -168.3 | 173.1 | -165.3 | 0 | 111.8 | N48 R49 L54 E55 E56 | N48-K52 PolarHBondContact O-N 2.74Å; R49-K52 PolarHBondContact O-N 2.85Å; K52-L54 VanDerWaalsContact C-N 3.32Å; K52-L54 PolarHBondContact O-N 3.32Å; K52-E55 PolarHBondContact O-N 3.08Å; K52-E56 WeakPolarHBondContact O-CB 3.45Å; K52-E56 PolarHBondContact O-N 2.9Å |
| 53 | A | 97.9 | Very high | 98 | Very high | 43 Ų | 43 | 118.5 Ų | 118.5 | 36% | 0.355 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.9 | -34.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R49 R50 R51 R57 | R49-A53 PolarHBondContact O-N 2.97Å; R50-A53 PolarHBondContact O-N 2.94Å; R51-A53 PolarHBondContact O-N 3.27Å; A53-R57 WeakPolarHBondContact O-CB 3.48Å; A53-R57 VanDerWaalsContact O-CG 3.26Å; A53-R57 WeakPolarHBondContact O-CG 3.47Å; A53-R57 PolarHBondContact O-N 2.9Å |
| 54 | L | 97.7 | Very high | 98 | Very high | 115 Ų | 115 | 117 Ų | 117 | 60% | 0.602 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -73.2 | -37.1 | 173.8 | -71.8 | 172.3 | 0 | 0 | 0 | 112.7 | R50 R51 K52 R58 | R50-L54 WeakPolarHBondContact O-CG 3.28Å; R50-L54 PolarHBondContact O-N 2.79Å; R51-L54 PolarHBondContact O-N 3.37Å; K52-L54 VanDerWaalsContact C-N 3.32Å; K52-L54 PolarHBondContact O-N 3.32Å; L54-R58 WeakPolarHBondContact O-CB 3.2Å; L54-R58 PolarHBondContact O-N 2.81Å |
| 55 | E | 97.9 | Very high | 98 | Very high | 91 Ų | 91 | 116.4 Ų | 116.4 | 43% | 0.425 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.9 | -40.1 | 174.7 | -167.8 | -166.8 | 131.3 | 0 | 0 | 111.7 | R51 K52 R58 K59 | R51-E55 WeakPolarHBondContact O-CB 3.48Å; R51-E55 PolarHBondContact O-N 3.44Å; K52-E55 PolarHBondContact O-N 3.08Å; E55-R58 WeakPolarHBondContact O-CB 3.37Å; E55-R58 PolarHBondContact O-N 2.85Å; E55-K59 WeakPolarHBondContact O-CG 3.27Å; E55-K59 PolarHBondContact O-N 3.01Å; E55-K59 WeakPolarHBondContact OE1-CE 3.2Å; E55-K59 IonicContact OE1-NZ 2.86Å; E55-K59 PolarHBondContact OE1-NZ 3.44Å |
| 56 | E | 97.8 | Very high | 98 | Very high | 95 Ų | 95 | 114.4 Ų | 114.4 | 44% | 0.444 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.9 | -45.1 | 175.9 | -164 | -156.7 | 140.3 | 0 | 0 | 111.7 | K52 R58 K59 R60 | K52-E56 WeakPolarHBondContact O-CB 3.45Å; K52-E56 PolarHBondContact O-N 2.9Å; E56-R58 VanDerWaalsContact C-N 3.27Å; E56-R58 PolarHBondContact O-N 3.36Å; E56-K59 PolarHBondContact O-N 2.89Å; E56-K59 VanDerWaalsContact O-N 3.14Å; E56-R60 WeakPolarHBondContact O-CG 3.46Å; E56-R60 PolarHBondContact O-N 2.8Å; E56-R60 IonicContact OE1-CZ 3.83Å; E56-R60 VanDerWaalsContact OE1-CZ 3.24Å; E56-R60 IonicContact OE1-NE 3.38Å; E56-R60 PolarHBondContact OE1-NE 2.92Å; E56-R60 IonicContact OE1-NH2 3.99Å; E56-R60 PolarHBondContact OE1-NH2 2.86Å |
| 57 | R | 97.9 | Very high | 98 | Very high | 167 Ų | 167 | 117 Ų | 117 | 63% | 0.63 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -56.4 | -42.2 | 171.3 | -76.5 | 174.7 | -174.7 | -166.5 | 1.2 | 111.5 | A53 R60 W61 | A53-R57 WeakPolarHBondContact O-CB 3.48Å; A53-R57 VanDerWaalsContact O-CG 3.26Å; A53-R57 WeakPolarHBondContact O-CG 3.47Å; A53-R57 PolarHBondContact O-N 2.9Å; R57-R60 PolarHBondContact O-N 3.19Å; R57-W61 VanDerWaalsContact O-CD1 3.26Å; R57-W61 PolarHBondContact O-N 3.15Å |
| 58 | R | 97.8 | Very high | 98 | Very high | 164 Ų | 164 | 118.3 Ų | 118.3 | 62% | 0.619 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.6 | -50.6 | 173.6 | 169.6 | 173.9 | -59.2 | -70.4 | -0.8 | 111.2 | L54 E55 E56 R60 W61 D62 | L54-R58 WeakPolarHBondContact O-CB 3.2Å; L54-R58 PolarHBondContact O-N 2.81Å; E55-R58 WeakPolarHBondContact O-CB 3.37Å; E55-R58 PolarHBondContact O-N 2.85Å; E56-R58 VanDerWaalsContact C-N 3.27Å; E56-R58 PolarHBondContact O-N 3.36Å; R58-R60 VanDerWaalsContact C-N 3.32Å; R58-R60 PolarHBondContact O-N 3.18Å; R58-W61 CarbonylContact O-C 3.35Å; R58-W61 WeakPolarHBondContact O-CA 3.3Å; R58-W61 WeakPolarHBondContact O-CB 3.49Å; R58-W61 PolarHBondContact O-N 2.69Å; R58-W61 VanDerWaalsContact O-N 3.07Å; R58-D62 WeakPolarHBondContact CG-OD2 3.15Å; R58-D62 PolarHBondContact O-N 3.49Å |
| 59 | K | 98.4 | Very high | 98 | Very high | 115 Ų | 115 | 121 Ų | 121 | 50% | 0.5 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -57.1 | -41.6 | 177.7 | -74 | 166.6 | 172.5 | 171.3 | 0 | 112.6 | E55 E56 D62 T63 | E55-K59 WeakPolarHBondContact O-CG 3.27Å; E55-K59 PolarHBondContact O-N 3.01Å; E55-K59 WeakPolarHBondContact OE1-CE 3.2Å; E55-K59 IonicContact OE1-NZ 2.86Å; E55-K59 PolarHBondContact OE1-NZ 3.44Å; E56-K59 PolarHBondContact O-N 2.89Å; E56-K59 VanDerWaalsContact O-N 3.14Å; K59-D62 PolarHBondContact O-N 3.08Å; K59-T63 WeakPolarHBondContact O-CB 3.33Å; K59-T63 PolarHBondContact O-N 3.35Å; K59-T63 PolarHBondContact O-OG1 3.3Å; K59-T63 VanDerWaalsContact O-OG1 3.09Å |
| 60 | R | 97.7 | Very high | 98 | Very high | 160 Ų | 160 | 115.6 Ų | 115.6 | 60% | 0.604 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.5 | -45.2 | 174 | -67.2 | 178 | -174 | -140.8 | 5.7 | 111.7 | E56 R57 R58 Q64 | E56-R60 WeakPolarHBondContact O-CG 3.46Å; E56-R60 PolarHBondContact O-N 2.8Å; E56-R60 IonicContact OE1-CZ 3.83Å; E56-R60 VanDerWaalsContact OE1-CZ 3.24Å; E56-R60 IonicContact OE1-NE 3.38Å; E56-R60 PolarHBondContact OE1-NE 2.92Å; E56-R60 IonicContact OE1-NH2 3.99Å; E56-R60 PolarHBondContact OE1-NH2 2.86Å; R57-R60 PolarHBondContact O-N 3.19Å; R58-R60 VanDerWaalsContact C-N 3.32Å; R58-R60 PolarHBondContact O-N 3.18Å; R60-Q64 WeakPolarHBondContact O-CG 3.41Å; R60-Q64 PolarHBondContact O-N 3.29Å |
| 61 | W | 96.6 | Very high | 98 | Very high | 179 Ų | 179 | 115.1 Ų | 115.1 | 68% | 0.678 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.1 | -45 | 174.7 | -86 | 108.1 | 0 | 0 | 0 | 113 | R57 R58 T63 Q64 E65 | R57-W61 VanDerWaalsContact O-CD1 3.26Å; R57-W61 PolarHBondContact O-N 3.15Å; R58-W61 CarbonylContact O-C 3.35Å; R58-W61 WeakPolarHBondContact O-CA 3.3Å; R58-W61 WeakPolarHBondContact O-CB 3.49Å; R58-W61 PolarHBondContact O-N 2.69Å; R58-W61 VanDerWaalsContact O-N 3.07Å; W61-T63 VanDerWaalsContact C-N 3.32Å; W61-T63 PolarHBondContact O-N 3.18Å; W61-Q64 PolarHBondContact O-N 2.96Å; W61-E65 PolarHBondContact O-N 2.97Å |
| 62 | D | 97.9 | Very high | 98.1 | Very high | 77 Ų | 77 | 111.7 Ų | 111.7 | 41% | 0.412 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.1 | -40.4 | 179.9 | -60.5 | -24.5 | 0 | 0 | 0 | 110.5 | R58 K59 E65 Q66 | R58-D62 WeakPolarHBondContact CG-OD2 3.15Å; R58-D62 PolarHBondContact O-N 3.49Å; K59-D62 PolarHBondContact O-N 3.08Å; D62-E65 PolarHBondContact O-N 2.77Å; D62-Q66 WeakPolarHBondContact O-CB 3.43Å; D62-Q66 PolarHBondContact O-N 3.21Å |
| 63 | T | 98.4 | Very high | 98.1 | Very high | 84 Ų | 84 | 108 Ų | 108 | 52% | 0.515 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 172.8 | -62.4 | 0 | 0 | 0 | 0 | 112.4 | K59 W61 Q66 L67 | K59-T63 WeakPolarHBondContact O-CB 3.33Å; K59-T63 PolarHBondContact O-N 3.35Å; K59-T63 PolarHBondContact O-OG1 3.3Å; K59-T63 VanDerWaalsContact O-OG1 3.09Å; W61-T63 VanDerWaalsContact C-N 3.32Å; W61-T63 PolarHBondContact O-N 3.18Å; T63-Q66 PolarHBondContact O-N 2.86Å; T63-L67 HydrophobicContact CG2-CD1 4.2Å; T63-L67 WeakPolarHBondContact O-CG 3.43Å; T63-L67 PolarHBondContact O-N 3.33Å |
| 64 | Q | 98.1 | Very high | 98.1 | Very high | 116 Ų | 116 | 111.8 Ų | 111.8 | 54% | 0.542 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.7 | -40.2 | 176.3 | -77.3 | -179.9 | -25.2 | 0 | 0 | 112 | R60 W61 Q66 L68 | R60-Q64 WeakPolarHBondContact O-CG 3.41Å; R60-Q64 PolarHBondContact O-N 3.29Å; W61-Q64 PolarHBondContact O-N 2.96Å; Q64-Q66 VanDerWaalsContact C-N 3.35Å; Q64-L68 WeakPolarHBondContact O-CB 3.38Å; Q64-L68 PolarHBondContact O-N 3.22Å |
| 65 | E | 97.8 | Very high | 98.1 | Very high | 90 Ų | 90 | 111.2 Ų | 111.2 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.7 | -39.3 | 174.9 | -153.1 | -154.9 | 152.2 | 0 | 0 | 111.1 | W61 D62 L68 R69 | W61-E65 PolarHBondContact O-N 2.97Å; D62-E65 PolarHBondContact O-N 2.77Å; E65-L68 PolarHBondContact O-N 2.87Å; E65-R69 VanDerWaalsContact CD-CZ 3.46Å; E65-R69 VanDerWaalsContact CD-NE 3.34Å; E65-R69 WeakPolarHBondContact O-CB 3.16Å; E65-R69 WeakPolarHBondContact O-CG 3.38Å; E65-R69 PolarHBondContact O-N 2.98Å; E65-R69 IonicContact OE1-CZ 3.45Å; E65-R69 IonicContact OE1-NE 2.76Å; E65-R69 PolarHBondContact OE1-NE 3.44Å; E65-R69 IonicContact OE1-NH2 3.14Å; E65-R69 PolarHBondContact OE1-NH2 2.97Å; E65-R69 IonicContact OE2-CZ 3.87Å; E65-R69 IonicContact OE2-NE 2.69Å; E65-R69 IonicContact OE2-NH2 3.69Å; E65-R69 PolarHBondContact OE2-NH2 2.66Å |
| 66 | Q | 98 | Very high | 98.1 | Very high | 79 Ų | 79 | 114.3 Ų | 114.3 | 37% | 0.369 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.1 | -46 | 177 | -172.2 | 55.5 | 35 | 0 | 0 | 112.1 | D62 T63 Q64 L68 R69 D70 | D62-Q66 WeakPolarHBondContact O-CB 3.43Å; D62-Q66 PolarHBondContact O-N 3.21Å; T63-Q66 PolarHBondContact O-N 2.86Å; Q64-Q66 VanDerWaalsContact C-N 3.35Å; Q66-L68 VanDerWaalsContact C-N 3.29Å; Q66-L68 PolarHBondContact O-N 2.72Å; Q66-R69 WeakPolarHBondContact O-CB 3.4Å; Q66-R69 PolarHBondContact O-N 2.86Å; Q66-D70 VanDerWaalsContact NE2-CG 3.25Å; Q66-D70 PolarHBondContact NE2-OD1 3.37Å; Q66-D70 PolarHBondContact NE2-OD2 2.82Å; Q66-D70 PolarHBondContact O-N 2.85Å |
| 67 | L | 98.6 | Very high | 98.2 | Very high | 118 Ų | 118 | 117 Ų | 117 | 62% | 0.618 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.2 | -39.2 | 173.9 | -70.5 | 170.9 | 0 | 0 | 0 | 112.1 | T63 K71 | T63-L67 HydrophobicContact CG2-CD1 4.2Å; T63-L67 WeakPolarHBondContact O-CG 3.43Å; T63-L67 PolarHBondContact O-N 3.33Å; L67-K71 VanDerWaalsContact O-CB 3.3Å; L67-K71 WeakPolarHBondContact O-CB 3.36Å; L67-K71 PolarHBondContact O-N 3.38Å |
| 68 | L | 98.5 | Very high | 98.2 | Very high | 101 Ų | 101 | 115.1 Ų | 115.1 | 53% | 0.529 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.1 | -44.2 | 174.8 | 178.5 | 60.7 | 0 | 0 | 0 | 112 | Q64 E65 Q66 K71 I72 | Q64-L68 WeakPolarHBondContact O-CB 3.38Å; Q64-L68 PolarHBondContact O-N 3.22Å; E65-L68 PolarHBondContact O-N 2.87Å; Q66-L68 VanDerWaalsContact C-N 3.29Å; Q66-L68 PolarHBondContact O-N 2.72Å; L68-K71 PolarHBondContact O-N 3.43Å; L68-I72 HydrophobicContact CD1-CD1 4.03Å; L68-I72 HydrophobicContact CD1-CG1 4.41Å; L68-I72 HydrophobicContact CG-CD1 4Å; L68-I72 WeakPolarHBondContact O-CD1 3.46Å; L68-I72 VanDerWaalsContact O-CG1 3.27Å; L68-I72 WeakPolarHBondContact O-CG1 3.33Å; L68-I72 PolarHBondContact O-N 3.05Å |
| 69 | R | 98.6 | Very high | 98.1 | Very high | 117 Ų | 117 | 112.4 Ų | 112.4 | 44% | 0.442 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.9 | -46.9 | 175.4 | -72.3 | 163.8 | 179.6 | -178.1 | 2.7 | 111 | E65 Q66 I72 L73 | E65-R69 VanDerWaalsContact CD-CZ 3.46Å; E65-R69 VanDerWaalsContact CD-NE 3.34Å; E65-R69 WeakPolarHBondContact O-CB 3.16Å; E65-R69 WeakPolarHBondContact O-CG 3.38Å; E65-R69 PolarHBondContact O-N 2.98Å; E65-R69 IonicContact OE1-CZ 3.45Å; E65-R69 IonicContact OE1-NE 2.76Å; E65-R69 PolarHBondContact OE1-NE 3.44Å; E65-R69 IonicContact OE1-NH2 3.14Å; E65-R69 PolarHBondContact OE1-NH2 2.97Å; E65-R69 IonicContact OE2-CZ 3.87Å; E65-R69 IonicContact OE2-NE 2.69Å; E65-R69 IonicContact OE2-NH2 3.69Å; E65-R69 PolarHBondContact OE2-NH2 2.66Å; Q66-R69 WeakPolarHBondContact O-CB 3.4Å; Q66-R69 PolarHBondContact O-N 2.86Å; R69-I72 PolarHBondContact O-N 2.91Å; R69-L73 WeakPolarHBondContact O-CG 3.39Å; R69-L73 PolarHBondContact O-N 3.17Å |
| 70 | D | 98.3 | Very high | 98.1 | Very high | 65 Ų | 65 | 111.6 Ų | 111.6 | 35% | 0.348 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68 | -36.7 | -179 | -71.8 | -35.4 | 0 | 0 | 0 | 112.3 | Q66 L73 Q74 | Q66-D70 VanDerWaalsContact NE2-CG 3.25Å; Q66-D70 PolarHBondContact NE2-OD1 3.37Å; Q66-D70 PolarHBondContact NE2-OD2 2.82Å; Q66-D70 PolarHBondContact O-N 2.85Å; D70-L73 PolarHBondContact O-N 2.76Å; D70-Q74 WeakPolarHBondContact O-CB 3.37Å; D70-Q74 PolarHBondContact O-N 3.47Å |
| 71 | K | 98.6 | Very high | 98.1 | Very high | 148 Ų | 148 | 109.5 Ų | 109.5 | 64% | 0.643 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.7 | -42.5 | 170.2 | -173.7 | 173.8 | -177.5 | 175.3 | 0 | 112.1 | L67 L68 Q74 Q75 | L67-K71 VanDerWaalsContact O-CB 3.3Å; L67-K71 WeakPolarHBondContact O-CB 3.36Å; L67-K71 PolarHBondContact O-N 3.38Å; L68-K71 PolarHBondContact O-N 3.43Å; K71-Q74 PolarHBondContact O-N 3.01Å; K71-Q75 WeakPolarHBondContact O-CB 3.39Å; K71-Q75 PolarHBondContact O-N 2.98Å |
| 72 | I | 98.6 | Very high | 98.1 | Very high | 66 Ų | 66 | 105 Ų | 105 | 34% | 0.338 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.3 | -39.2 | 175.2 | -69.5 | 164.6 | 0 | 0 | 0 | 111.2 | L68 R69 R76 | L68-I72 HydrophobicContact CD1-CD1 4.03Å; L68-I72 HydrophobicContact CD1-CG1 4.41Å; L68-I72 HydrophobicContact CG-CD1 4Å; L68-I72 WeakPolarHBondContact O-CD1 3.46Å; L68-I72 VanDerWaalsContact O-CG1 3.27Å; L68-I72 WeakPolarHBondContact O-CG1 3.33Å; L68-I72 PolarHBondContact O-N 3.05Å; R69-I72 PolarHBondContact O-N 2.91Å; I72-R76 WeakPolarHBondContact O-CB 3.03Å; I72-R76 VanDerWaalsContact O-CG 3.27Å; I72-R76 WeakPolarHBondContact O-CG 3.2Å; I72-R76 PolarHBondContact O-N 3.24Å |
| 73 | L | 98.4 | Very high | 98 | Very high | 77 Ų | 77 | 104 Ų | 104 | 40% | 0.403 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.6 | -37 | 175.2 | -70.4 | 172.7 | 0 | 0 | 0 | 111.9 | R69 D70 R76 R77 | R69-L73 WeakPolarHBondContact O-CG 3.39Å; R69-L73 PolarHBondContact O-N 3.17Å; D70-L73 PolarHBondContact O-N 2.76Å; L73-R76 PolarHBondContact O-N 2.9Å; L73-R77 WeakPolarHBondContact O-CG 3.31Å; L73-R77 PolarHBondContact O-N 2.82Å |
| 74 | Q | 98.4 | Very high | 97.9 | Very high | 123 Ų | 123 | 103.1 Ų | 103.1 | 58% | 0.575 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.4 | -49 | 173.9 | -175.4 | 172.8 | -0.7 | 0 | 0 | 111.5 | D70 K71 R76 R77 E78 | D70-Q74 WeakPolarHBondContact O-CB 3.37Å; D70-Q74 PolarHBondContact O-N 3.47Å; K71-Q74 PolarHBondContact O-N 3.01Å; Q74-R76 PolarHBondContact O-N 2.98Å; Q74-R77 WeakPolarHBondContact O-CB 3.18Å; Q74-R77 PolarHBondContact O-N 3.3Å; Q74-R77 VanDerWaalsContact O-N 3.08Å; Q74-E78 PolarHBondContact O-N 3.05Å |
| 75 | Q | 98.3 | Very high | 97.7 | Very high | 104 Ų | 104 | 100.5 Ų | 100.5 | 49% | 0.486 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.9 | -36.8 | 175.6 | -171.8 | -177.9 | 21.3 | 0 | 0 | 112 | K71 Q79 | K71-Q75 WeakPolarHBondContact O-CB 3.39Å; K71-Q75 PolarHBondContact O-N 2.98Å; Q75-Q79 WeakPolarHBondContact O-CB 3.49Å; Q75-Q79 VanDerWaalsContact O-CG 3.28Å; Q75-Q79 WeakPolarHBondContact O-CG 3.41Å; Q75-Q79 PolarHBondContact O-N 3.38Å |
| 76 | R | 98.3 | Very high | 97.6 | Very high | 156 Ų | 156 | 103.3 Ų | 103.3 | 59% | 0.589 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -69.9 | -39 | 174.7 | -75.7 | 171.9 | 175.1 | -168.6 | -2.8 | 113.1 | I72 L73 Q74 Q79 V80 | I72-R76 WeakPolarHBondContact O-CB 3.03Å; I72-R76 VanDerWaalsContact O-CG 3.27Å; I72-R76 WeakPolarHBondContact O-CG 3.2Å; I72-R76 PolarHBondContact O-N 3.24Å; L73-R76 PolarHBondContact O-N 2.9Å; Q74-R76 PolarHBondContact O-N 2.98Å; R76-Q79 PolarHBondContact O-N 3.36Å; R76-V80 VanDerWaalsContact O-CG2 3.32Å; R76-V80 WeakPolarHBondContact O-CG2 3.49Å; R76-V80 PolarHBondContact O-N 3.44Å |
| 77 | R | 98.3 | Very high | 97.4 | Very high | 150 Ų | 150 | 105.9 Ų | 105.9 | 57% | 0.566 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.6 | -46.5 | 173.1 | -75.3 | -179.3 | -68.5 | -107.9 | 2.1 | 110.6 | L73 Q74 V80 E81 | L73-R77 WeakPolarHBondContact O-CG 3.31Å; L73-R77 PolarHBondContact O-N 2.82Å; Q74-R77 WeakPolarHBondContact O-CB 3.18Å; Q74-R77 PolarHBondContact O-N 3.3Å; Q74-R77 VanDerWaalsContact O-N 3.08Å; R77-V80 PolarHBondContact O-N 3.29Å; R77-E81 PolarHBondContact O-N 2.98Å |
| 78 | E | 97.9 | Very high | 97.2 | Very high | 129 Ų | 129 | 105.9 Ų | 105.9 | 60% | 0.603 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.6 | -44.4 | 175.8 | -175.2 | 179 | -165.8 | 0 | 0 | 112 | Q74 V80 E81 E82 | Q74-E78 PolarHBondContact O-N 3.05Å; E78-V80 PolarHBondContact O-N 2.84Å; E78-E81 PolarHBondContact O-N 3.43Å; E78-E82 WeakPolarHBondContact O-CB 3.35Å; E78-E82 PolarHBondContact O-N 3.49Å |
| 79 | Q | 97.6 | Very high | 96.7 | Very high | 107 Ų | 107 | 107.4 Ų | 107.4 | 50% | 0.5 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.5 | -37.5 | 175.6 | -77.8 | 175.2 | -9 | 0 | 0 | 113.3 | Q75 R76 A83 | Q75-Q79 WeakPolarHBondContact O-CB 3.49Å; Q75-Q79 VanDerWaalsContact O-CG 3.28Å; Q75-Q79 WeakPolarHBondContact O-CG 3.41Å; Q75-Q79 PolarHBondContact O-N 3.38Å; R76-Q79 PolarHBondContact O-N 3.36Å; Q79-A83 VanDerWaalsContact O-CB 3.26Å; Q79-A83 WeakPolarHBondContact O-CB 3.38Å; Q79-A83 PolarHBondContact O-N 3.48Å |
| 80 | V | 98 | Very high | 96.1 | Very high | 98 Ų | 98 | 104.5 Ų | 104.5 | 59% | 0.594 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.5 | -43.6 | 174.5 | 168.5 | 0 | 0 | 0 | 0 | 110.4 | R76 R77 E78 A83 T84 | R76-V80 VanDerWaalsContact O-CG2 3.32Å; R76-V80 WeakPolarHBondContact O-CG2 3.49Å; R76-V80 PolarHBondContact O-N 3.44Å; R77-V80 PolarHBondContact O-N 3.29Å; E78-V80 PolarHBondContact O-N 2.84Å; V80-A83 PolarHBondContact O-N 3.28Å; V80-T84 PolarHBondContact O-N 2.96Å; V80-T84 PolarHBondContact O-OG1 2.99Å |
| 81 | E | 96.9 | Very high | 95.6 | Very high | 116 Ų | 116 | 107.9 Ų | 107.9 | 54% | 0.542 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64 | -44.7 | 175.7 | -162.2 | -167.7 | 142.9 | 0 | 0 | 111.6 | R77 E78 A83 T84 Q85 | R77-E81 PolarHBondContact O-N 2.98Å; E78-E81 PolarHBondContact O-N 3.43Å; E81-A83 VanDerWaalsContact C-N 3.32Å; E81-A83 PolarHBondContact O-N 2.93Å; E81-T84 CarbonylContact O-C 3.53Å; E81-T84 PolarHBondContact O-N 3.27Å; E81-T84 VanDerWaalsContact O-N 3.15Å; E81-Q85 HydrophobicContact CG-CG 4.49Å; E81-Q85 WeakPolarHBondContact O-CG 3.49Å; E81-Q85 PolarHBondContact O-N 3.26Å; E81-Q85 PolarHBondContact OE1-NE2 3.45Å |
| 82 | E | 96.8 | Very high | 95 | Very high | 84 Ų | 84 | 104.1 Ų | 104.1 | 39% | 0.393 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 176.9 | -156.3 | -152.5 | 168.6 | 0 | 0 | 111.1 | E78 Q85 R86 | E78-E82 WeakPolarHBondContact O-CB 3.35Å; E78-E82 PolarHBondContact O-N 3.49Å; E82-Q85 PolarHBondContact O-N 2.78Å; E82-R86 VanDerWaalsContact CD-NE 3.26Å; E82-R86 HydrophobicContact CG-CG 4.49Å; E82-R86 WeakPolarHBondContact O-CB 3.49Å; E82-R86 WeakPolarHBondContact O-CG 3.39Å; E82-R86 PolarHBondContact O-N 3.07Å; E82-R86 IonicContact OE1-CZ 3.68Å; E82-R86 IonicContact OE1-NE 3.42Å; E82-R86 PolarHBondContact OE1-NE 2.95Å; E82-R86 IonicContact OE1-NH2 2.74Å; E82-R86 PolarHBondContact OE1-NH2 3.5Å; E82-R86 IonicContact OE2-CZ 2.74Å; E82-R86 IonicContact OE2-NE 3.76Å; E82-R86 IonicContact OE2-NH2 2.74Å; E82-R86 PolarHBondContact OE2-NH2 2.8Å |
| 83 | A | 95.6 | Very high | 94.1 | Very high | 56 Ų | 56 | 103.9 Ų | 103.9 | 46% | 0.463 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -42.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q79 V80 E81 R86 F87 | Q79-A83 VanDerWaalsContact O-CB 3.26Å; Q79-A83 WeakPolarHBondContact O-CB 3.38Å; Q79-A83 PolarHBondContact O-N 3.48Å; V80-A83 PolarHBondContact O-N 3.28Å; E81-A83 VanDerWaalsContact C-N 3.32Å; E81-A83 PolarHBondContact O-N 2.93Å; A83-R86 PolarHBondContact O-N 3.07Å; A83-F87 WeakPolarHBondContact O-CB 3.36Å; A83-F87 PolarHBondContact O-N 3.46Å |
| 84 | T | 96.1 | Very high | 92.7 | Very high | 66 Ų | 66 | 105 Ų | 105 | 41% | 0.405 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.1 | -45.3 | 175.3 | -57.7 | 0 | 0 | 0 | 0 | 112 | V80 E81 R86 F87 Q88 | V80-T84 PolarHBondContact O-N 2.96Å; V80-T84 PolarHBondContact O-OG1 2.99Å; E81-T84 CarbonylContact O-C 3.53Å; E81-T84 PolarHBondContact O-N 3.27Å; E81-T84 VanDerWaalsContact O-N 3.15Å; T84-R86 PolarHBondContact O-N 3.22Å; T84-F87 PolarHBondContact O-N 2.84Å; T84-Q88 VanDerWaalsContact O-CG 3.32Å; T84-Q88 WeakPolarHBondContact O-CG 3.29Å; T84-Q88 PolarHBondContact O-N 3.02Å |
| 85 | Q | 95.2 | Very high | 91.5 | Very high | 61 Ų | 61 | 104.2 Ų | 104.2 | 29% | 0.285 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.7 | -38.8 | 175 | -69.5 | -173.2 | 23.9 | 0 | 0 | 111.7 | E81 E82 R89 | E81-Q85 HydrophobicContact CG-CG 4.49Å; E81-Q85 WeakPolarHBondContact O-CG 3.49Å; E81-Q85 PolarHBondContact O-N 3.26Å; E81-Q85 PolarHBondContact OE1-NE2 3.45Å; E82-Q85 PolarHBondContact O-N 2.78Å; Q85-R89 WeakPolarHBondContact O-CB 3.37Å; Q85-R89 VanDerWaalsContact O-CG 3.24Å; Q85-R89 WeakPolarHBondContact O-CG 3.49Å; Q85-R89 PolarHBondContact O-N 3.36Å |
| 86 | R | 94.2 | Very high | 90 | Very high | 149 Ų | 149 | 105.1 Ų | 105.1 | 56% | 0.562 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.2 | -43.6 | 175.6 | -79.2 | 172.5 | 176.8 | -142.9 | 12.1 | 111.6 | E82 A83 T84 R89 A90 | E82-R86 VanDerWaalsContact CD-NE 3.26Å; E82-R86 HydrophobicContact CG-CG 4.49Å; E82-R86 WeakPolarHBondContact O-CB 3.49Å; E82-R86 WeakPolarHBondContact O-CG 3.39Å; E82-R86 PolarHBondContact O-N 3.07Å; E82-R86 IonicContact OE1-CZ 3.68Å; E82-R86 IonicContact OE1-NE 3.42Å; E82-R86 PolarHBondContact OE1-NE 2.95Å; E82-R86 IonicContact OE1-NH2 2.74Å; E82-R86 PolarHBondContact OE1-NH2 3.5Å; E82-R86 IonicContact OE2-CZ 2.74Å; E82-R86 IonicContact OE2-NE 3.76Å; E82-R86 IonicContact OE2-NH2 2.74Å; E82-R86 PolarHBondContact OE2-NH2 2.8Å; A83-R86 PolarHBondContact O-N 3.07Å; T84-R86 PolarHBondContact O-N 3.22Å; R86-R89 PolarHBondContact O-N 3Å; R86-A90 WeakPolarHBondContact O-CB 3.4Å; R86-A90 PolarHBondContact O-N 2.68Å |
| 87 | F | 94.9 | Very high | 88.6 | Confident | 132 Ų | 132 | 103.8 Ų | 103.8 | 58% | 0.579 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58 | -53.3 | 173.7 | 175.8 | -96.7 | 0 | 0 | 0 | 110.7 | A83 T84 R89 A90 H91 | A83-F87 WeakPolarHBondContact O-CB 3.36Å; A83-F87 PolarHBondContact O-N 3.46Å; T84-F87 PolarHBondContact O-N 2.84Å; F87-R89 PolarHBondContact O-N 2.91Å; F87-A90 WeakPolarHBondContact O-CB 3.39Å; F87-A90 PolarHBondContact O-N 2.78Å; F87-A90 VanDerWaalsContact O-N 3.1Å; F87-H91 AromaticContact CD2-NE2 3.76Å; F87-H91 AromaticContact CE1-CD2 3.82Å; F87-H91 AromaticContact CE1-NE2 3.99Å; F87-H91 AromaticContact CE2-CD2 3.8Å; F87-H91 AromaticContact CE2-NE2 3.22Å; F87-H91 WeakPolarHBondContact CE2-NE2 3.45Å; F87-H91 AromaticContact CZ-CD2 3.69Å; F87-H91 AromaticContact CZ-NE2 3.35Å; F87-H91 WeakPolarHBondContact CZ-NE2 3.35Å; F87-H91 PolarHBondContact O-CD2 3.23Å; F87-H91 PolarHBondContact O-N 3.28Å |
| 88 | Q | 92.9 | Very high | 86.9 | Confident | 119 Ų | 119 | 106 Ų | 106 | 56% | 0.556 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -56.3 | -46.6 | 176.2 | -70.5 | 170.3 | -2.7 | 0 | 0 | 112.3 | T84 A90 H91 L92 | T84-Q88 VanDerWaalsContact O-CG 3.32Å; T84-Q88 WeakPolarHBondContact O-CG 3.29Å; T84-Q88 PolarHBondContact O-N 3.02Å; Q88-A90 VanDerWaalsContact C-N 3.33Å; Q88-A90 PolarHBondContact O-N 3.1Å; Q88-H91 PolarHBondContact O-N 2.91Å; Q88-L92 PolarHBondContact O-N 2.94Å |
| 89 | R | 88.6 | Confident | 85.2 | Confident | 133 Ų | 133 | 110 Ų | 110 | 50% | 0.502 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.4 | -31.4 | 176.4 | -73.8 | 174.4 | -172.5 | 133.6 | 12 | 113.5 | Q85 R86 F87 H91 L92 | Q85-R89 WeakPolarHBondContact O-CB 3.37Å; Q85-R89 VanDerWaalsContact O-CG 3.24Å; Q85-R89 WeakPolarHBondContact O-CG 3.49Å; Q85-R89 PolarHBondContact O-N 3.36Å; R86-R89 PolarHBondContact O-N 3Å; F87-R89 PolarHBondContact O-N 2.91Å; R89-H91 VanDerWaalsContact C-N 3.34Å; R89-L92 PolarHBondContact O-N 2.92Å |
| 90 | A | 87.3 | Confident | 83.2 | Confident | 55 Ų | 55 | 110.5 Ų | 110.5 | 46% | 0.455 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.9 | -34.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | R86 F87 Q88 L92 R97 | R86-A90 WeakPolarHBondContact O-CB 3.4Å; R86-A90 PolarHBondContact O-N 2.68Å; F87-A90 WeakPolarHBondContact O-CB 3.39Å; F87-A90 PolarHBondContact O-N 2.78Å; F87-A90 VanDerWaalsContact O-N 3.1Å; Q88-A90 VanDerWaalsContact C-N 3.33Å; Q88-A90 PolarHBondContact O-N 3.1Å; A90-L92 VanDerWaalsContact C-N 3.31Å; A90-L92 PolarHBondContact O-N 3.49Å; A90-R97 VanDerWaalsContact O-CZ 3.29Å; A90-R97 PolarHBondContact O-NE 3.17Å; A90-R97 PolarHBondContact O-NH2 3.19Å |
| 91 | H | 87.4 | Confident | 81 | Confident | 136 Ų | 136 | 112.3 Ų | 112.3 | 63% | 0.63 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -77.6 | -9.7 | 175.9 | -71.9 | -67.4 | 0 | 0 | 0 | 114.5 | F87 Q88 R89 | F87-H91 AromaticContact CD2-NE2 3.76Å; F87-H91 AromaticContact CE1-CD2 3.82Å; F87-H91 AromaticContact CE1-NE2 3.99Å; F87-H91 AromaticContact CE2-CD2 3.8Å; F87-H91 AromaticContact CE2-NE2 3.22Å; F87-H91 WeakPolarHBondContact CE2-NE2 3.45Å; F87-H91 AromaticContact CZ-CD2 3.69Å; F87-H91 AromaticContact CZ-NE2 3.35Å; F87-H91 WeakPolarHBondContact CZ-NE2 3.35Å; F87-H91 PolarHBondContact O-CD2 3.23Å; F87-H91 PolarHBondContact O-N 3.28Å; Q88-H91 PolarHBondContact O-N 2.91Å; R89-H91 VanDerWaalsContact C-N 3.34Å |
| 92 | L | 84.4 | Confident | 78.9 | Confident | 69 Ų | 69 | 113.7 Ų | 113.7 | 36% | 0.361 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -70 | 150.2 | 168.4 | -63.6 | 179.4 | 0 | 0 | 0 | 111.4 | Q88 R89 A90 Q96 R97 | Q88-L92 PolarHBondContact O-N 2.94Å; R89-L92 PolarHBondContact O-N 2.92Å; A90-L92 VanDerWaalsContact C-N 3.31Å; A90-L92 PolarHBondContact O-N 3.49Å; L92-Q96 HydrophobicContact CB-CB 4.3Å; L92-R97 HydrophobicContact CB-CG 4.49Å; L92-R97 PolarHBondContact O-NE 3.39Å; L92-R97 PolarHBondContact O-NH2 2.9Å; L92-R97 VanDerWaalsContact O-NH2 3.09Å |
| 93 | P | 79.8 | Confident | 76.8 | Confident | 62 Ų | 62 | 119 Ų | 119 | 40% | 0.403 | 59% | 0.585 | S | S | . | * | | | trans | -62.4 | 148.3 | 174.8 | 26.3 | -34.7 | 0 | 0 | 0 | 111.2 | S95 Q96 R97 | P93-S95 PolarHBondContact O-N 3.45Å; P93-Q96 HydrophobicContact CG-CB 4.27Å; P93-Q96 HydrophobicContact CG-CG 4.06Å; P93-Q96 PolarHBondContact O-N 3.35Å; P93-R97 PolarHBondContact O-N 2.93Å |
| 94 | P | 70.5 | Confident | 74.3 | Confident | 99 Ų | 99 | 126.4 Ų | 126.4 | 64% | 0.643 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -52.3 | -34.8 | -172.7 | -30.2 | 36.3 | 0 | 0 | 0 | 115.6 | Q96 R97 | P94-Q96 PolarHBondContact O-N 3Å; P94-R97 PolarHBondContact O-N 3.1Å; P94-R97 VanDerWaalsContact O-N 3.11Å |
| 95 | S | 72.4 | Confident | 71.8 | Confident | 107 Ų | 107 | 134.7 Ų | 134.7 | 75% | 0.748 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -62.6 | -25.2 | 176.1 | 50.1 | 0 | 0 | 0 | 0 | 114.3 | P93 | P93-S95 PolarHBondContact O-N 3.45Š|
| 96 | Q | 67.3 | Low | 69.5 | Low | 123 Ų | 123 | 138.6 Ų | 138.6 | 58% | 0.575 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -96 | -8.7 | 175.9 | -66.4 | 179.3 | -3.1 | 0 | 0 | 112.9 | L92 P93 P94 Y98 | L92-Q96 HydrophobicContact CB-CB 4.3Å; P93-Q96 HydrophobicContact CG-CB 4.27Å; P93-Q96 HydrophobicContact CG-CG 4.06Å; P93-Q96 PolarHBondContact O-N 3.35Å; P94-Q96 PolarHBondContact O-N 3Å; Q96-Y98 PolarHBondContact O-N 3.38Å |
| 97 | R | 68.1 | Low | 67.5 | Low | 129 Ų | 129 | 142.5 Ų | 142.5 | 49% | 0.487 | 66% | 0.663 | S | S | . | * | | | trans | -77.7 | 34.8 | 175.5 | -57.3 | -175 | -164.6 | 156.7 | 4.3 | 112.7 | A90 L92 P93 P94 R99 | A90-R97 VanDerWaalsContact O-CZ 3.29Å; A90-R97 PolarHBondContact O-NE 3.17Å; A90-R97 PolarHBondContact O-NH2 3.19Å; L92-R97 HydrophobicContact CB-CG 4.49Å; L92-R97 PolarHBondContact O-NE 3.39Å; L92-R97 PolarHBondContact O-NH2 2.9Å; L92-R97 VanDerWaalsContact O-NH2 3.09Å; P93-R97 PolarHBondContact O-N 2.93Å; P94-R97 PolarHBondContact O-N 3.1Å; P94-R97 VanDerWaalsContact O-N 3.11Å; R97-R99 PolarHBondContact O-N 2.9Å |
| 98 | Y | 62.7 | Low | 65.5 | Low | 195 Ų | 195 | 140.5 Ų | 140.5 | 77% | 0.765 | 66% | 0.658 | S | S | * | * | | | trans | -63.8 | 102 | 177.8 | -154.1 | -88.2 | 0 | 0 | 0 | 108.3 | Q96 | Q96-Y98 PolarHBondContact O-N 3.38Š|
| 99 | R | 61.8 | Low | 64.1 | Low | 213 Ų | 213 | 141.3 Ų | 141.3 | 80% | 0.804 | 66% | 0.663 | S | S | * | * | | | trans | -54.6 | 142.2 | 171 | -73.6 | -169.9 | 179.2 | -149.6 | 3.3 | 107.3 | R97 L101 | R97-R99 PolarHBondContact O-N 2.9Å; R99-L101 PolarHBondContact O-N 3.34Å |
| 100 | P | 57.3 | Low | 63.1 | Low | 118 Ų | 118 | 141.9 Ų | 141.9 | 77% | 0.766 | 67% | 0.672 | S | S | * | * | | | trans | -51 | 111.7 | 156.9 | -21.6 | 32.9 | 0 | 0 | 0 | 106.7 | I102 | P100-I102 PolarHBondContact O-N 3.08Š|
| 101 | L | 50.1 | Low | 62 | Low | 137 Ų | 137 | 144.9 Ų | 144.9 | 72% | 0.717 | 68% | 0.676 | S | S | * | * | | | trans | -51.7 | 130.1 | 172 | -173.9 | 77.2 | 0 | 0 | 0 | 105.4 | R99 K103 | R99-L101 PolarHBondContact O-N 3.34Å; L101-K103 PolarHBondContact O-N 2.79Å |
| 102 | I | 52.9 | Low | 60.7 | Low | 144 Ų | 144 | 140.9 Ų | 140.9 | 74% | 0.738 | 67% | 0.667 | S | S | * | * | | | trans | -65.7 | 91.3 | 180 | -59.3 | 175.3 | 0 | 0 | 0 | 106.4 | P100 R104 | P100-I102 PolarHBondContact O-N 3.08Å; I102-R104 PolarHBondContact O-N 3.37Å |
| 103 | K | 52.3 | Low | 59.7 | Low | 196 Ų | 196 | 141.9 Ų | 141.9 | 85% | 0.852 | 67% | 0.672 | S | S | * | * | | | trans | -58.7 | 90.2 | 157 | -74.2 | -171.7 | 176.3 | -175.4 | 0 | 104 | L101 R105 | L101-K103 PolarHBondContact O-N 2.79Å; K103-R105 PolarHBondContact O-N 2.83Å |
| 104 | R | 44.6 | Very low | 58.8 | Low | 211 Ų | 211 | 140.9 Ų | 140.9 | 80% | 0.796 | 67% | 0.673 | S | S | * | * | | | trans | -44 | 118.2 | 161.2 | -75.6 | -179.7 | 170.7 | 174.9 | -2.7 | 103.9 | I102 N106 | I102-R104 PolarHBondContact O-N 3.37Å; R104-N106 VanDerWaalsContact C-N 3.28Å; R104-N106 PolarHBondContact O-N 3.02Å; R104-N106 PolarHBondContact O-OD1 3.49Å |
| 105 | R | 42.5 | Very low | 58.3 | Low | 240 Ų | 240 | 143.1 Ų | 143.1 | 91% | 0.906 | 68% | 0.675 | S | S | * | * | | | trans | -58.6 | 102.3 | 177.2 | -177.3 | 176.5 | -174.6 | 156.5 | -0.1 | 104.9 | K103 R107 | K103-R105 PolarHBondContact O-N 2.83Å; R105-R107 PolarHBondContact O-N 3.29Å |
| 106 | N | 46.7 | Very low | 57.7 | Low | 143 Ų | 143 | 143.7 Ų | 143.7 | 77% | 0.765 | 67% | 0.669 | S | S | * | * | | | trans | -54.2 | 117.2 | -175.3 | -75.5 | -11.7 | 0 | 0 | 0 | 105.6 | R104 N108 | R104-N106 VanDerWaalsContact C-N 3.28Å; R104-N106 PolarHBondContact O-N 3.02Å; R104-N106 PolarHBondContact O-OD1 3.49Å; N106-N108 PolarHBondContact O-N 3.42Å |
| 107 | R | 53.3 | Low | 57.2 | Low | 232 Ų | 232 | 145 Ų | 145 | 88% | 0.875 | 68% | 0.675 | S | S | * | * | | | trans | -55.8 | 129.3 | 167 | -75.8 | -177.3 | 174.4 | 171.2 | -3.7 | 105.1 | R105 M109 | R105-R107 PolarHBondContact O-N 3.29Å; R107-M109 PolarHBondContact O-N 3.4Å |
| 108 | N | 53.3 | Low | 56.3 | Low | 89 Ų | 89 | 142 Ų | 142 | 48% | 0.476 | 68% | 0.684 | S | S | . | * | | | trans | -63.5 | 102.9 | -166.4 | -173.6 | 14.4 | 0 | 0 | 0 | 108.9 | N106 E110 E111 A112 | N106-N108 PolarHBondContact O-N 3.42Å; N108-E110 PolarHBondContact O-N 3.02Å; N108-E110 VanDerWaalsContact OD1-CB 3.31Å; N108-E110 WeakPolarHBondContact OD1-CB 3.32Å; N108-E111 HydrophobicContact CB-CB 3.81Å; N108-E111 WeakPolarHBondContact CB-OE2 3.35Å; N108-E111 WeakPolarHBondContact ND2-CB 3.48Å; N108-E111 PolarHBondContact ND2-OE2 3.21Å; N108-E111 WeakPolarHBondContact O-CB 3.33Å; N108-E111 PolarHBondContact O-N 2.77Å; N108-A112 PolarHBondContact O-N 3.34Å; N108-A112 VanDerWaalsContact O-N 3.12Å |
| 109 | M | 63.5 | Low | 55.4 | Low | 136 Ų | 136 | 138.3 Ų | 138.3 | 67% | 0.67 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -63 | -33.5 | -176.8 | -67.8 | -88 | -72.3 | 0 | 0 | 109.6 | R107 E111 A112 L113 | R107-M109 PolarHBondContact O-N 3.4Å; M109-E111 VanDerWaalsContact C-N 3.28Å; M109-E111 PolarHBondContact O-N 3.11Å; M109-A112 PolarHBondContact O-N 3.01Å; M109-L113 VanDerWaalsContact O-CB 3.29Å; M109-L113 WeakPolarHBondContact O-CB 3.49Å; M109-L113 WeakPolarHBondContact O-CG 3.2Å; M109-L113 PolarHBondContact O-N 3.22Å |
| 110 | E | 66.2 | Low | 54.5 | Low | 146 Ų | 146 | 138.3 Ų | 138.3 | 68% | 0.682 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -56.6 | -38.4 | 172.1 | -134.3 | 67.7 | -159.9 | 0 | 0 | 113 | N108 G114 | N108-E110 PolarHBondContact O-N 3.02Å; N108-E110 VanDerWaalsContact OD1-CB 3.31Å; N108-E110 WeakPolarHBondContact OD1-CB 3.32Å; E110-G114 PolarHBondContact O-N 3Å |
| 111 | E | 64.2 | Low | 53.4 | Low | 117 Ų | 117 | 139.6 Ų | 139.6 | 55% | 0.547 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -79.8 | -34.5 | -178.5 | -172.5 | 179.4 | 163.6 | 0 | 0 | 111.7 | N108 M109 Q115 | N108-E111 HydrophobicContact CB-CB 3.81Å; N108-E111 WeakPolarHBondContact CB-OE2 3.35Å; N108-E111 WeakPolarHBondContact ND2-CB 3.48Å; N108-E111 PolarHBondContact ND2-OE2 3.21Å; N108-E111 WeakPolarHBondContact O-CB 3.33Å; N108-E111 PolarHBondContact O-N 2.77Å; M109-E111 VanDerWaalsContact C-N 3.28Å; M109-E111 PolarHBondContact O-N 3.11Å; E111-Q115 WeakPolarHBondContact O-CG 3.41Å; E111-Q115 PolarHBondContact O-N 2.86Å; E111-Q115 VanDerWaalsContact O-N 3.17Å |
| 112 | A | 61.5 | Low | 52.4 | Low | 53 Ų | 53 | 143.1 Ų | 143.1 | 44% | 0.438 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -69.7 | -38.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | N108 M109 I116 | N108-A112 PolarHBondContact O-N 3.34Å; N108-A112 VanDerWaalsContact O-N 3.12Å; M109-A112 PolarHBondContact O-N 3.01Å; A112-I116 WeakPolarHBondContact O-CD1 3.42Å; A112-I116 WeakPolarHBondContact O-CG1 3.3Å; A112-I116 PolarHBondContact O-N 2.92Å |
| 113 | L | 61.8 | Low | 51.5 | Low | 89 Ų | 89 | 145.2 Ų | 145.2 | 47% | 0.466 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -72 | -42 | 175.7 | -70.9 | 169.6 | 0 | 0 | 0 | 111.2 | M109 Q115 I116 Q117 | M109-L113 VanDerWaalsContact O-CB 3.29Å; M109-L113 WeakPolarHBondContact O-CB 3.49Å; M109-L113 WeakPolarHBondContact O-CG 3.2Å; M109-L113 PolarHBondContact O-N 3.22Å; L113-Q115 VanDerWaalsContact C-N 3.27Å; L113-Q115 PolarHBondContact O-N 2.89Å; L113-I116 CarbonylContact O-C 3.54Å; L113-I116 WeakPolarHBondContact O-CA 3.39Å; L113-I116 PolarHBondContact O-N 2.86Å; L113-Q117 VanDerWaalsContact O-CB 3.29Å; L113-Q117 WeakPolarHBondContact O-CB 3.45Å; L113-Q117 PolarHBondContact O-N 3.2Å |
| 114 | G | 61.9 | Low | 50.6 | Low | 41 Ų | 41 | 140.9 Ų | 140.9 | 42% | 0.423 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -57.6 | -37.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | E110 I116 Q117 G118 | E110-G114 PolarHBondContact O-N 3Å; G114-I116 VanDerWaalsContact C-N 3.31Å; G114-I116 PolarHBondContact O-N 2.97Å; G114-Q117 PolarHBondContact O-N 3.45Å; G114-G118 PolarHBondContact O-N 3.41Å |
| 115 | Q | 60.5 | Low | 50 | Low | 146 Ų | 146 | 138.8 Ų | 138.8 | 68% | 0.682 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -70.4 | -22.1 | 173.5 | -75.4 | 178.4 | 50.8 | 0 | 0 | 114.2 | E111 L113 | E111-Q115 WeakPolarHBondContact O-CG 3.41Å; E111-Q115 PolarHBondContact O-N 2.86Å; E111-Q115 VanDerWaalsContact O-N 3.17Å; L113-Q115 VanDerWaalsContact C-N 3.27Å; L113-Q115 PolarHBondContact O-N 2.89Å |
| 116 | I | 59.6 | Low | 49.5 | Very low | 120 Ų | 120 | 133 Ų | 133 | 62% | 0.615 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -87 | -33.7 | 174.1 | -67.4 | 166 | 0 | 0 | 0 | 110.9 | A112 L113 G114 | A112-I116 WeakPolarHBondContact O-CD1 3.42Å; A112-I116 WeakPolarHBondContact O-CG1 3.3Å; A112-I116 PolarHBondContact O-N 2.92Å; L113-I116 CarbonylContact O-C 3.54Å; L113-I116 WeakPolarHBondContact O-CA 3.39Å; L113-I116 PolarHBondContact O-N 2.86Å; G114-I116 VanDerWaalsContact C-N 3.31Å; G114-I116 PolarHBondContact O-N 2.97Å |
| 117 | Q | 56.8 | Low | 48.6 | Very low | 150 Ų | 150 | 131.9 Ų | 131.9 | 70% | 0.701 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -88.4 | -18.9 | -172.3 | -158.8 | 162.5 | 12 | 0 | 0 | 113.3 | L113 G114 T119 | L113-Q117 VanDerWaalsContact O-CB 3.29Å; L113-Q117 WeakPolarHBondContact O-CB 3.45Å; L113-Q117 PolarHBondContact O-N 3.2Å; G114-Q117 PolarHBondContact O-N 3.45Å; Q117-T119 PolarHBondContact O-N 2.72Å |
| 118 | G | 47.9 | Very low | 47.5 | Very low | 66 Ų | 66 | 125.4 Ų | 125.4 | 68% | 0.68 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 11 | -178.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | G114 | G114-G118 PolarHBondContact O-N 3.41Š|
| 119 | T | 44.3 | Very low | 46.6 | Very low | 117 Ų | 117 | 127.3 Ų | 127.3 | 72% | 0.718 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.2 | 22.8 | -175.9 | -30.7 | 0 | 0 | 0 | 0 | 113.5 | Q117 | Q117-T119 PolarHBondContact O-N 2.72Š|
| 120 | W | 43.1 | Very low | 45.2 | Very low | 213 Ų | 213 | 126.8 Ų | 126.8 | 81% | 0.807 | 68% | 0.679 | S | S | * | * | | | trans | -131.4 | 50.4 | -175.7 | -72 | 84.9 | 0 | 0 | 0 | 114 | | |
| 121 | D | 33.8 | Very low | 43.7 | Very low | 145 Ų | 145 | 125.1 Ų | 125.1 | 78% | 0.775 | 68% | 0.684 | S | S | * | * | | | trans | -107.1 | 90.3 | 158.8 | -99.6 | -44.1 | 0 | 0 | 0 | 109.7 | | |
| 122 | W | 29.7 | Very low | 42.8 | Very low | 212 Ų | 212 | 124.8 Ų | 124.8 | 80% | 0.803 | 69% | 0.692 | S | S | * | * | | | trans | -107.9 | 112.9 | 147.5 | 92.2 | -93.8 | 0 | 0 | 0 | 106.5 | | |
| 123 | Y | 32.9 | Very low | 41.4 | Very low | 188 Ų | 188 | 127.5 Ų | 127.5 | 74% | 0.737 | 70% | 0.703 | S | S | * | * | | | trans | -77.2 | 146 | -167.9 | -138 | -101.2 | 0 | 0 | 0 | 111.5 | | |
| 124 | T | 33.8 | Very low | 39.9 | Very low | 104 Ų | 104 | 130 Ų | 130 | 64% | 0.638 | 72% | 0.717 | S | S | * | * | | | trans | -66.6 | 145 | -175.7 | 53.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 125 | Q | 32.8 | Very low | 38.7 | Very low | 167 Ų | 167 | 134.3 Ų | 134.3 | 78% | 0.78 | 74% | 0.735 | S | S | * | * | | | trans | 154 | 149.2 | 141.1 | -86.4 | 173 | 34.2 | 0 | 0 | 110.1 | | |
| 126 | T | 31.5 | Very low | 38.4 | Very low | 120 Ų | 120 | 133 Ų | 133 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | | | cis | -141.3 | 161.7 | 13.9 | 58.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 127 | S | 27.1 | Very low | 37 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | | | trans | 63.3 | 150 | 141.6 | -160.7 | 0 | 0 | 0 | 0 | 120.5 | | |
| 128 | S | 31.8 | Very low | 35.8 | Very low | 97 Ų | 97 | 137.3 Ų | 137.3 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | | | cis | -172.8 | 173.5 | -30.1 | -172.3 | 0 | 0 | 0 | 0 | 109 | | |
| 129 | V | 34.6 | Very low | 36.3 | Very low | 128 Ų | 128 | 139.1 Ų | 139.1 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | | | trans | 71.9 | 149.5 | 161.6 | -137.9 | 0 | 0 | 0 | 0 | 119.9 | | |
| 130 | V | 33.2 | Very low | 36.2 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 76% | 0.758 | 77% | 0.766 | S | S | * | * | | | trans | 76.2 | 95.3 | 161.7 | -166.8 | 0 | 0 | 0 | 0 | 118.9 | | |
| 131 | S | 33.7 | Very low | 35.8 | Very low | 112 Ų | 112 | 134.2 Ų | 134.2 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | | | trans | -72.1 | 154.6 | 142.4 | -25.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 132 | P | 46.1 | Very low | 35.7 | Very low | 110 Ų | 110 | 133.8 Ų | 133.8 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | | | | -142.9 | -163 | 61.4 | 34.9 | -10.7 | 0 | 0 | 0 | 112.1 | | |
| 133 | T | 31.3 | Very low | 36 | Very low | 109 Ų | 109 | 131.1 Ų | 131.1 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | | | cis | -155.1 | 173.4 | 12.7 | -26.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 134 | D | 32.3 | Very low | 36.5 | Very low | 142 Ų | 142 | 127.8 Ų | 127.8 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | | | trans | 78.4 | 159.6 | 153.7 | -63.3 | -43.2 | 0 | 0 | 0 | 120.4 | | |
| 135 | T | 35.9 | Very low | 36.9 | Very low | 131 Ų | 131 | 128.2 Ų | 128.2 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | trans | -136 | -155.4 | -145.9 | 62.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 136 | P | 53.7 | Low | 37.4 | Very low | 120 Ų | 120 | 126.9 Ų | 126.9 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | | | | -112.1 | 156.3 | -127.8 | 29.9 | -9 | 0 | 0 | 0 | 115.8 | | |
| 137 | S | 30 | Very low | 37.4 | Very low | 131 Ų | 131 | 126.1 Ų | 126.1 | 92% | 0.916 | 78% | 0.775 | S | S | * | * | | | trans | -152 | 164.5 | 165.9 | 60.6 | 0 | 0 | 0 | 0 | 114.5 | | |
| 138 | R | 32.9 | Very low | 38 | Very low | 229 Ų | 229 | 126.5 Ų | 126.5 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | | | trans | -155.6 | 159.5 | -168.9 | 167.1 | -172.5 | 177.3 | -121.7 | -0.6 | 107.6 | | |
| 139 | P | 57 | Low | 38.3 | Very low | 103 Ų | 103 | 131 Ų | 131 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | | | cis | -99.8 | -86.6 | -9.8 | 15.4 | 6.7 | 0 | 0 | 0 | 112.7 | | |
| 140 | P | 42.8 | Very low | 38.3 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | | | cis | -103.7 | -139.4 | -6.1 | 30.4 | -10.2 | 0 | 0 | 0 | 112.8 | | |
| 141 | S | 35 | Very low | 38.2 | Very low | 103 Ų | 103 | 129.7 Ų | 129.7 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | | | trans | -153.4 | 140.4 | -178.4 | 161.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 142 | T | 30.9 | Very low | 38.5 | Very low | 136 Ų | 136 | 129.7 Ų | 129.7 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | | | | -177.4 | 146.3 | 129.3 | 27.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 143 | N | 36.6 | Very low | 38.2 | Very low | 156 Ų | 156 | 135.6 Ų | 135.6 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | | | trans | -85.8 | 171.2 | 159.2 | -67.8 | -41.6 | 0 | 0 | 0 | 108.9 | | |
| 144 | P | 42.4 | Very low | 38.8 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | | | cis | -142.1 | -146.1 | 23.7 | 46.8 | -25.4 | 0 | 0 | 0 | 111.5 | | |
| 145 | P | 42.9 | Very low | 39.5 | Very low | 112 Ų | 112 | 137.9 Ų | 137.9 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | cis | -126.7 | 174.3 | -19.1 | 40.1 | -24.7 | 0 | 0 | 0 | 114.9 | | |
| 146 | T | 44.3 | Very low | 40.3 | Very low | 140 Ų | 140 | 135.2 Ų | 135.2 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | | | trans | -68.3 | 135.3 | 165.8 | 44.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 147 | S | 31.5 | Very low | 41.1 | Very low | 104 Ų | 104 | 133.8 Ų | 133.8 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | trans | -139 | 131.1 | 152.2 | 69.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 148 | S | 39.9 | Very low | 42.6 | Very low | 125 Ų | 125 | 131.5 Ų | 131.5 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | | | trans | -84.4 | 120.1 | -175.5 | -57.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 149 | K | 38.1 | Very low | 43.9 | Very low | 192 Ų | 192 | 127.8 Ų | 127.8 | 84% | 0.835 | 75% | 0.75 | S | S | * | * | | | trans | -125.3 | 94.4 | 164.4 | -71.3 | -170.1 | 178.8 | -178.9 | 0 | 110.2 | S151 | K149-S151 PolarHBondContact O-N 3.22Š|
| 150 | S | 34.1 | Very low | 44.7 | Very low | 116 Ų | 116 | 126.6 Ų | 126.6 | 81% | 0.811 | 74% | 0.736 | S | S | * | * | | | trans | -61.5 | 112.2 | 165.2 | 49.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 151 | S | 30.4 | Very low | 46.2 | Very low | 109 Ų | 109 | 123 Ų | 123 | 76% | 0.762 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 131.4 | 172.7 | -172.1 | 0 | 0 | 0 | 0 | 109.5 | K149 R153 | K149-S151 PolarHBondContact O-N 3.22Å; S151-R153 PolarHBondContact O-N 2.96Å |
| 152 | P | 40.3 | Very low | 48.2 | Very low | 112 Ų | 112 | 125.2 Ų | 125.2 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 131.9 | -176.8 | 26.5 | -33.9 | 0 | 0 | 0 | 110.3 | Q154 | P152-Q154 PolarHBondContact O-N 2.77Š|
| 153 | R | 40.9 | Very low | 50.6 | Low | 234 Ų | 234 | 122.3 Ų | 122.3 | 88% | 0.883 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 120.4 | 160.9 | -81.3 | -175.2 | 167.9 | -157 | -1.6 | 107.6 | S151 T155 | S151-R153 PolarHBondContact O-N 2.96Å; R153-T155 VanDerWaalsContact C-N 3.29Å; R153-T155 PolarHBondContact O-N 2.93Å |
| 154 | Q | 43.1 | Very low | 52.8 | Low | 174 Ų | 174 | 120 Ų | 120 | 81% | 0.813 | 68% | 0.675 | S | S | * | * | | | trans | -64.6 | 94.7 | 163.6 | -73.4 | 177 | -22.8 | 0 | 0 | 108.2 | P152 L156 | P152-Q154 PolarHBondContact O-N 2.77Å; Q154-L156 PolarHBondContact O-N 3.32Å; Q154-L156 VanDerWaalsContact O-N 3.1Å |
| 155 | T | 46.4 | Very low | 54.5 | Low | 125 Ų | 125 | 119.1 Ų | 119.1 | 77% | 0.767 | 66% | 0.663 | S | S | * | * | | | trans | -72.6 | 98.2 | 170.6 | -57.6 | 0 | 0 | 0 | 0 | 107.2 | R153 T157 | R153-T155 VanDerWaalsContact C-N 3.29Å; R153-T155 PolarHBondContact O-N 2.93Å; T155-T157 PolarHBondContact O-N 3.01Å |
| 156 | L | 53.8 | Low | 56 | Low | 76 Ų | 76 | 118.1 Ų | 118.1 | 40% | 0.398 | 65% | 0.651 | S | S | . | * | | | trans | -58.6 | 130.2 | -176.8 | -63.7 | 173.2 | 0 | 0 | 0 | 110.6 | Q154 E160 K164 | Q154-L156 PolarHBondContact O-N 3.32Å; Q154-L156 VanDerWaalsContact O-N 3.1Å; L156-E160 WeakPolarHBondContact CA-OE2 3.42Å; L156-E160 HydrophobicContact CB-CB 4.2Å; L156-E160 HydrophobicContact CD2-CB 4.33Å; L156-K164 HydrophobicContact CD1-CD 4.05Å; L156-K164 VanDerWaalsContact CD1-NZ 3.28Å |
| 157 | T | 70.7 | Confident | 57.2 | Low | 89 Ų | 89 | 117 Ų | 117 | 55% | 0.546 | 64% | 0.636 | S | S | . | * | | | trans | -64.7 | 152.7 | 176.8 | -51.6 | 0 | 0 | 0 | 0 | 109.7 | T155 E159 E160 A161 | T155-T157 PolarHBondContact O-N 3.01Å; T157-E159 PolarHBondContact O-N 2.65Å; T157-E159 VanDerWaalsContact O-N 3.08Å; T157-E160 PolarHBondContact N-OE2 3.31Å; T157-E160 WeakPolarHBondContact O-CA 3.49Å; T157-E160 WeakPolarHBondContact O-CB 3.44Å; T157-E160 PolarHBondContact O-N 2.9Å; T157-E160 PolarHBondContact OG1-OE2 3.09Å; T157-A161 PolarHBondContact O-N 3.4Å |
| 158 | A | 61 | Low | 59 | Low | 83 Ų | 83 | 116.3 Ų | 116.3 | 69% | 0.686 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -54.4 | -32.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A161 Y162 | A158-A161 PolarHBondContact O-N 3.02Å; A158-Y162 WeakPolarHBondContact O-CB 3.49Å; A158-Y162 PolarHBondContact O-N 3.07Å |
| 159 | E | 60.7 | Low | 60.1 | Low | 151 Ų | 151 | 115 Ų | 115 | 71% | 0.706 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -70.8 | -35.8 | 174.9 | -169.9 | 168.7 | -163.6 | 0 | 0 | 113.2 | T157 A161 Y162 T163 | T157-E159 PolarHBondContact O-N 2.65Å; T157-E159 VanDerWaalsContact O-N 3.08Å; E159-A161 VanDerWaalsContact C-N 3.32Å; E159-Y162 PolarHBondContact O-N 3.33Å; E159-T163 WeakPolarHBondContact O-CB 3.41Å; E159-T163 WeakPolarHBondContact O-CG2 3.49Å; E159-T163 PolarHBondContact O-N 3.07Å; E159-T163 PolarHBondContact O-OG1 3.42Å |
| 160 | E | 72.6 | Confident | 61.5 | Low | 79 Ų | 79 | 114 Ų | 114 | 37% | 0.369 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.5 | -32.3 | 171.3 | -62.8 | -179.1 | 92.7 | 0 | 0 | 111.9 | L156 T157 T163 K164 | L156-E160 WeakPolarHBondContact CA-OE2 3.42Å; L156-E160 HydrophobicContact CB-CB 4.2Å; L156-E160 HydrophobicContact CD2-CB 4.33Å; T157-E160 PolarHBondContact N-OE2 3.31Å; T157-E160 WeakPolarHBondContact O-CA 3.49Å; T157-E160 WeakPolarHBondContact O-CB 3.44Å; T157-E160 PolarHBondContact O-N 2.9Å; T157-E160 PolarHBondContact OG1-OE2 3.09Å; E160-T163 VanDerWaalsContact CA-OG1 3.31Å; E160-T163 WeakPolarHBondContact CA-OG1 3.2Å; E160-T163 PolarHBondContact O-OG1 3.01Å; E160-K164 VanDerWaalsContact O-CB 3.28Å; E160-K164 WeakPolarHBondContact O-CB 3.33Å; E160-K164 WeakPolarHBondContact O-CD 3.23Å; E160-K164 WeakPolarHBondContact O-CG 3.48Å; E160-K164 PolarHBondContact O-N 2.91Å; E160-K164 VanDerWaalsContact O-N 3.09Å |
| 161 | A | 74.6 | Confident | 63.1 | Low | 48 Ų | 48 | 112.5 Ų | 112.5 | 40% | 0.397 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -70.2 | -41.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T157 A158 E159 K164 L165 | T157-A161 PolarHBondContact O-N 3.4Å; A158-A161 PolarHBondContact O-N 3.02Å; E159-A161 VanDerWaalsContact C-N 3.32Å; A161-K164 PolarHBondContact O-N 3.14Å; A161-L165 PolarHBondContact O-N 2.96Å |
| 162 | Y | 77.9 | Confident | 64.6 | Low | 151 Ų | 151 | 113.3 Ų | 113.3 | 59% | 0.592 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.9 | -44.9 | 177.6 | -175.9 | -113.2 | 0 | 0 | 0 | 112.5 | A158 E159 K164 L165 L166 | A158-Y162 WeakPolarHBondContact O-CB 3.49Å; A158-Y162 PolarHBondContact O-N 3.07Å; E159-Y162 PolarHBondContact O-N 3.33Å; Y162-K164 PolarHBondContact O-N 3.35Å; Y162-L165 WeakPolarHBondContact O-CB 3.4Å; Y162-L165 PolarHBondContact O-N 3.22Å; Y162-L166 HydrophobicContact CD1-CD1 3.98Å; Y162-L166 HydrophobicContact CE1-CD1 3.57Å; Y162-L166 HydrophobicContact CE1-CG 4.34Å; Y162-L166 PolarHBondContact O-N 2.96Å |
| 163 | T | 80.4 | Confident | 65.5 | Low | 75 Ų | 75 | 113.2 Ų | 113.2 | 46% | 0.46 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.4 | -37.7 | 174.7 | 48.6 | 0 | 0 | 0 | 0 | 112.2 | E159 E160 L166 H167 | E159-T163 WeakPolarHBondContact O-CB 3.41Å; E159-T163 WeakPolarHBondContact O-CG2 3.49Å; E159-T163 PolarHBondContact O-N 3.07Å; E159-T163 PolarHBondContact O-OG1 3.42Å; E160-T163 VanDerWaalsContact CA-OG1 3.31Å; E160-T163 WeakPolarHBondContact CA-OG1 3.2Å; E160-T163 PolarHBondContact O-OG1 3.01Å; T163-L166 PolarHBondContact O-N 2.85Å; T163-H167 WeakPolarHBondContact O-CB 3.35Å; T163-H167 PolarHBondContact O-N 3.25Å |
| 164 | K | 81.9 | Confident | 66.1 | Low | 107 Ų | 107 | 105.6 Ų | 105.6 | 47% | 0.465 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.2 | -39.4 | 171.6 | -76.8 | 169.7 | -176 | 170.4 | 0 | 112.6 | L156 E160 A161 Y162 H167 E168 | L156-K164 HydrophobicContact CD1-CD 4.05Å; L156-K164 VanDerWaalsContact CD1-NZ 3.28Å; E160-K164 VanDerWaalsContact O-CB 3.28Å; E160-K164 WeakPolarHBondContact O-CB 3.33Å; E160-K164 WeakPolarHBondContact O-CD 3.23Å; E160-K164 WeakPolarHBondContact O-CG 3.48Å; E160-K164 PolarHBondContact O-N 2.91Å; E160-K164 VanDerWaalsContact O-N 3.09Å; A161-K164 PolarHBondContact O-N 3.14Å; Y162-K164 PolarHBondContact O-N 3.35Å; K164-H167 PolarHBondContact O-N 2.92Å; K164-E168 WeakPolarHBondContact O-CB 3.42Å; K164-E168 PolarHBondContact O-N 3.44Å |
| 165 | L | 78.9 | Confident | 66.9 | Low | 100 Ų | 100 | 103.2 Ų | 103.2 | 52% | 0.524 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 172.5 | -93.5 | 169.3 | 0 | 0 | 0 | 112.6 | A161 Y162 E168 H169 | A161-L165 PolarHBondContact O-N 2.96Å; Y162-L165 WeakPolarHBondContact O-CB 3.4Å; Y162-L165 PolarHBondContact O-N 3.22Å; L165-E168 PolarHBondContact O-N 2.81Å; L165-H169 WeakPolarHBondContact O-CB 3.48Å; L165-H169 PolarHBondContact O-N 3.39Å |
| 166 | L | 73.8 | Confident | 67.2 | Low | 90 Ų | 90 | 103.5 Ų | 103.5 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 174.6 | -75.2 | 172.5 | 0 | 0 | 0 | 112.2 | Y162 T163 H169 R170 | Y162-L166 HydrophobicContact CD1-CD1 3.98Å; Y162-L166 HydrophobicContact CE1-CD1 3.57Å; Y162-L166 HydrophobicContact CE1-CG 4.34Å; Y162-L166 PolarHBondContact O-N 2.96Å; T163-L166 PolarHBondContact O-N 2.85Å; L166-H169 PolarHBondContact O-N 2.91Å; L166-R170 PolarHBondContact O-N 3.33Å |
| 167 | H | 70.9 | Confident | 67 | Low | 118 Ų | 118 | 104.8 Ų | 104.8 | 55% | 0.546 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.5 | -44.6 | 176.2 | -174.3 | 53.4 | 0 | 0 | 0 | 111.8 | T163 K164 H169 R170 I171 | T163-H167 WeakPolarHBondContact O-CB 3.35Å; T163-H167 PolarHBondContact O-N 3.25Å; K164-H167 PolarHBondContact O-N 2.92Å; H167-H169 VanDerWaalsContact C-N 3.33Å; H167-H169 PolarHBondContact O-N 3.46Å; H167-R170 WeakPolarHBondContact O-CB 3.25Å; H167-R170 PolarHBondContact O-N 3.46Å; H167-I171 WeakPolarHBondContact O-CG1 3.45Å; H167-I171 PolarHBondContact O-N 2.98Å |
| 168 | E | 69 | Low | 65.6 | Low | 88 Ų | 88 | 106.1 Ų | 106.1 | 41% | 0.411 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64 | -38.4 | 175.4 | -158.8 | -164.9 | 168.7 | 0 | 0 | 111.6 | K164 L165 R170 I171 R172 | K164-E168 WeakPolarHBondContact O-CB 3.42Å; K164-E168 PolarHBondContact O-N 3.44Å; L165-E168 PolarHBondContact O-N 2.81Å; E168-R170 VanDerWaalsContact C-N 3.32Å; E168-R170 PolarHBondContact O-N 3.22Å; E168-I171 PolarHBondContact O-N 3.37Å; E168-R172 WeakPolarHBondContact O-CB 3.38Å; E168-R172 VanDerWaalsContact O-CG 3.25Å; E168-R172 WeakPolarHBondContact O-CG 3.2Å; E168-R172 PolarHBondContact O-N 2.73Å; E168-R172 IonicContact OE1-CZ 3.16Å; E168-R172 IonicContact OE1-NE 3.86Å; E168-R172 PolarHBondContact OE1-NE 3.45Å; E168-R172 IonicContact OE1-NH2 2.72Å; E168-R172 PolarHBondContact OE1-NH2 3.46Å; E168-R172 IonicContact OE2-CZ 3.55Å; E168-R172 IonicContact OE2-NH2 2.87Å; E168-R172 PolarHBondContact OE2-NH2 2.87Å |
| 169 | H | 62.8 | Low | 64.6 | Low | 97 Ų | 97 | 104.9 Ų | 104.9 | 45% | 0.449 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.9 | -25.7 | 175.8 | -170.2 | -116.2 | 0 | 0 | 0 | 113.2 | L165 L166 H167 K173 | L165-H169 WeakPolarHBondContact O-CB 3.48Å; L165-H169 PolarHBondContact O-N 3.39Å; L166-H169 PolarHBondContact O-N 2.91Å; H167-H169 VanDerWaalsContact C-N 3.33Å; H167-H169 PolarHBondContact O-N 3.46Å; H169-K173 WeakPolarHBondContact O-CG 3.39Å; H169-K173 PolarHBondContact O-N 2.86Å |
| 170 | R | 66.8 | Low | 63.6 | Low | 173 Ų | 173 | 105.5 Ų | 105.5 | 65% | 0.653 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.3 | -54.6 | 166.1 | 173.9 | 174.4 | -77 | 165.9 | -4 | 110.4 | L166 H167 E168 R172 K173 D174 | L166-R170 PolarHBondContact O-N 3.33Å; H167-R170 WeakPolarHBondContact O-CB 3.25Å; H167-R170 PolarHBondContact O-N 3.46Å; E168-R170 VanDerWaalsContact C-N 3.32Å; E168-R170 PolarHBondContact O-N 3.22Å; R170-R172 VanDerWaalsContact C-N 3.26Å; R170-R172 PolarHBondContact O-N 3.19Å; R170-K173 WeakPolarHBondContact O-CA 3.28Å; R170-K173 WeakPolarHBondContact O-CB 3.31Å; R170-K173 PolarHBondContact O-N 3.49Å; R170-D174 VanDerWaalsContact CG-OD2 3.25Å; R170-D174 WeakPolarHBondContact CG-OD2 3.2Å; R170-D174 VanDerWaalsContact O-CG 3.27Å; R170-D174 PolarHBondContact O-N 3.36Å |
| 171 | I | 68.4 | Low | 62.1 | Low | 84 Ų | 84 | 107.3 Ų | 107.3 | 43% | 0.431 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -53.9 | -41.8 | 178.8 | -68.2 | 166.7 | 0 | 0 | 0 | 112 | H167 E168 K173 D174 L175 | H167-I171 WeakPolarHBondContact O-CG1 3.45Å; H167-I171 PolarHBondContact O-N 2.98Å; E168-I171 PolarHBondContact O-N 3.37Å; I171-K173 VanDerWaalsContact C-N 3.35Å; I171-K173 PolarHBondContact O-N 2.86Å; I171-D174 PolarHBondContact O-N 2.92Å; I171-L175 VanDerWaalsContact O-CB 3.3Å; I171-L175 WeakPolarHBondContact O-CB 3.49Å; I171-L175 PolarHBondContact O-N 3.09Å |
| 172 | R | 61.6 | Low | 60.3 | Low | 126 Ų | 126 | 108.2 Ų | 108.2 | 48% | 0.475 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 176.3 | -72.8 | 171 | -169.6 | 167.3 | 0.5 | 112.5 | E168 R170 E176 | E168-R172 WeakPolarHBondContact O-CB 3.38Å; E168-R172 VanDerWaalsContact O-CG 3.25Å; E168-R172 WeakPolarHBondContact O-CG 3.2Å; E168-R172 PolarHBondContact O-N 2.73Å; E168-R172 IonicContact OE1-CZ 3.16Å; E168-R172 IonicContact OE1-NE 3.86Å; E168-R172 PolarHBondContact OE1-NE 3.45Å; E168-R172 IonicContact OE1-NH2 2.72Å; E168-R172 PolarHBondContact OE1-NH2 3.46Å; E168-R172 IonicContact OE2-CZ 3.55Å; E168-R172 IonicContact OE2-NH2 2.87Å; E168-R172 PolarHBondContact OE2-NH2 2.87Å; R170-R172 VanDerWaalsContact C-N 3.26Å; R170-R172 PolarHBondContact O-N 3.19Å; R172-E176 VanDerWaalsContact O-CB 3.3Å; R172-E176 WeakPolarHBondContact O-CB 3.24Å; R172-E176 PolarHBondContact O-N 3.18Å |
| 173 | K | 58.2 | Low | 58.3 | Low | 110 Ų | 110 | 107.2 Ų | 107.2 | 48% | 0.478 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.2 | -41.7 | 176.3 | -75.8 | -176.3 | 174 | -169.3 | 0 | 112.4 | H169 R170 I171 L175 E176 I177 | H169-K173 WeakPolarHBondContact O-CG 3.39Å; H169-K173 PolarHBondContact O-N 2.86Å; R170-K173 WeakPolarHBondContact O-CA 3.28Å; R170-K173 WeakPolarHBondContact O-CB 3.31Å; R170-K173 PolarHBondContact O-N 3.49Å; I171-K173 VanDerWaalsContact C-N 3.35Å; I171-K173 PolarHBondContact O-N 2.86Å; K173-L175 VanDerWaalsContact C-N 3.29Å; K173-L175 PolarHBondContact O-N 3.34Å; K173-E176 PolarHBondContact O-N 2.92Å; K173-I177 WeakPolarHBondContact O-CG1 3.47Å; K173-I177 PolarHBondContact O-N 2.89Å |
| 174 | D | 55.3 | Low | 56.4 | Low | 74 Ų | 74 | 111.2 Ų | 111.2 | 40% | 0.396 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.8 | -38.3 | 179 | -55.1 | -28.2 | 0 | 0 | 0 | 110.3 | R170 I171 I177 H178 | R170-D174 VanDerWaalsContact CG-OD2 3.25Å; R170-D174 WeakPolarHBondContact CG-OD2 3.2Å; R170-D174 VanDerWaalsContact O-CG 3.27Å; R170-D174 PolarHBondContact O-N 3.36Å; I171-D174 PolarHBondContact O-N 2.92Å; D174-I177 PolarHBondContact O-N 3.3Å; D174-H178 PolarHBondContact O-CD2 3.02Å; D174-H178 PolarHBondContact O-N 3.17Å; D174-H178 VanDerWaalsContact O-N 3.13Å |
| 175 | L | 58.4 | Low | 54.4 | Low | 123 Ų | 123 | 113.5 Ų | 113.5 | 64% | 0.644 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -69.4 | -35.7 | 172.9 | -166 | 69 | 0 | 0 | 0 | 113.1 | I171 K173 H178 S179 | I171-L175 VanDerWaalsContact O-CB 3.3Å; I171-L175 WeakPolarHBondContact O-CB 3.49Å; I171-L175 PolarHBondContact O-N 3.09Å; K173-L175 VanDerWaalsContact C-N 3.29Å; K173-L175 PolarHBondContact O-N 3.34Å; L175-H178 PolarHBondContact O-N 2.82Å; L175-S179 WeakPolarHBondContact O-CB 3.34Å; L175-S179 PolarHBondContact O-N 3.12Å |
| 176 | E | 52.3 | Low | 52.3 | Low | 132 Ų | 132 | 112.6 Ų | 112.6 | 62% | 0.617 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.3 | -37.9 | 175.4 | -169.6 | 167.4 | -133.2 | 0 | 0 | 111.4 | R172 K173 S179 | R172-E176 VanDerWaalsContact O-CB 3.3Å; R172-E176 WeakPolarHBondContact O-CB 3.24Å; R172-E176 PolarHBondContact O-N 3.18Å; K173-E176 PolarHBondContact O-N 2.92Å; E176-S179 PolarHBondContact O-N 2.89Å; E176-S179 PolarHBondContact O-OG 3.03Å |
| 177 | I | 51.3 | Low | 50.3 | Low | 103 Ų | 103 | 115.2 Ų | 115.2 | 53% | 0.528 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.8 | -52.7 | 171.7 | -68.8 | 163.1 | 0 | 0 | 0 | 110.5 | K173 D174 S179 F180 | K173-I177 WeakPolarHBondContact O-CG1 3.47Å; K173-I177 PolarHBondContact O-N 2.89Å; D174-I177 PolarHBondContact O-N 3.3Å; I177-S179 PolarHBondContact O-N 3.44Å; I177-F180 WeakPolarHBondContact O-CB 3.37Å; I177-F180 PolarHBondContact O-N 3.46Å |
| 178 | H | 40.9 | Very low | 48.5 | Very low | 116 Ų | 116 | 117.3 Ų | 117.3 | 54% | 0.537 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.3 | -27.8 | 179.1 | -71 | -48.9 | 0 | 0 | 0 | 113.5 | D174 L175 F180 E181 A182 | D174-H178 PolarHBondContact O-CD2 3.02Å; D174-H178 PolarHBondContact O-N 3.17Å; D174-H178 VanDerWaalsContact O-N 3.13Å; L175-H178 PolarHBondContact O-N 2.82Å; H178-F180 PolarHBondContact O-N 2.76Å; H178-E181 IonicContact ND1-OE2 2.83Å; H178-E181 PolarHBondContact O-N 3.48Å; H178-A182 WeakPolarHBondContact O-CB 3.49Å; H178-A182 PolarHBondContact O-N 2.97Å |
| 179 | S | 39.9 | Very low | 46.7 | Very low | 58 Ų | 58 | 118.4 Ų | 118.4 | 41% | 0.406 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -65.3 | -23.4 | 173.9 | 82.7 | 0 | 0 | 0 | 0 | 113.8 | L175 E176 I177 N183 | L175-S179 WeakPolarHBondContact O-CB 3.34Å; L175-S179 PolarHBondContact O-N 3.12Å; E176-S179 PolarHBondContact O-N 2.89Å; E176-S179 PolarHBondContact O-OG 3.03Å; I177-S179 PolarHBondContact O-N 3.44Å; S179-N183 PolarHBondContact O-ND2 2.83Å |
| 180 | F | 39.8 | Very low | 45.3 | Very low | 163 Ų | 163 | 121.3 Ų | 121.3 | 72% | 0.715 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -85.1 | -24.9 | 177.3 | -109.3 | -86.7 | 0 | 0 | 0 | 113.4 | I177 H178 | I177-F180 WeakPolarHBondContact O-CB 3.37Å; I177-F180 PolarHBondContact O-N 3.46Å; H178-F180 PolarHBondContact O-N 2.76Å |
| 181 | E | 41.2 | Very low | 43.6 | Very low | 118 Ų | 118 | 118.4 Ų | 118.4 | 55% | 0.551 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -86.4 | -41 | 175.7 | -67.3 | -175.4 | 128.7 | 0 | 0 | 112.1 | H178 N183 Q184 | H178-E181 IonicContact ND1-OE2 2.83Å; H178-E181 PolarHBondContact O-N 3.48Å; E181-N183 PolarHBondContact O-N 3.27Å; E181-N183 VanDerWaalsContact O-N 3.11Å; E181-Q184 PolarHBondContact O-N 3.18Å; E181-Q184 VanDerWaalsContact O-N 3.09Å |
| 182 | A | 35.8 | Very low | 41.8 | Very low | 67 Ų | 67 | 123.5 Ų | 123.5 | 55% | 0.554 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -59.5 | -27.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | H178 | H178-A182 WeakPolarHBondContact O-CB 3.49Å; H178-A182 PolarHBondContact O-N 2.97Å |
| 183 | N | 37.6 | Very low | 40.5 | Very low | 130 Ų | 130 | 122.7 Ų | 122.7 | 70% | 0.695 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | 14.9 | -180 | -68.6 | -69.8 | 0 | 0 | 0 | 114.2 | S179 E181 | S179-N183 PolarHBondContact O-ND2 2.83Å; E181-N183 PolarHBondContact O-N 3.27Å; E181-N183 VanDerWaalsContact O-N 3.11Å |
| 184 | Q | 40.5 | Very low | 39.3 | Very low | 158 Ų | 158 | 125.5 Ų | 125.5 | 74% | 0.738 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119 | 12.4 | 173.1 | -68.8 | -166.7 | 104.9 | 0 | 0 | 113.9 | E181 | E181-Q184 PolarHBondContact O-N 3.18Å; E181-Q184 VanDerWaalsContact O-N 3.09Å |
| 185 | L | 38.1 | Very low | 38.1 | Very low | 155 Ų | 155 | 129.3 Ų | 129.3 | 81% | 0.812 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -121.3 | 9.1 | -175.4 | -70.2 | 172.5 | 0 | 0 | 0 | 114.8 | | |
| 186 | S | 36.6 | Very low | 36.9 | Very low | 82 Ų | 82 | 127.5 Ų | 127.5 | 57% | 0.573 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -96.3 | -13 | -175.4 | 55 | 0 | 0 | 0 | 0 | 116.5 | | |
| 187 | D | 30.9 | Very low | 35.9 | Very low | 145 Ų | 145 | 130.1 Ų | 130.1 | 78% | 0.775 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -131.3 | 29.2 | -165.5 | -71.3 | -77.7 | 0 | 0 | 0 | 114.5 | | |
| 188 | I | 32.6 | Very low | 34.7 | Very low | 161 Ų | 161 | 133.2 Ų | 133.2 | 83% | 0.826 | 72% | 0.724 | S | S | * | * | | | trans | -133.1 | 85.2 | 170 | -51.6 | -179 | 0 | 0 | 0 | 110.3 | | |
| 189 | S | 32.3 | Very low | 34.7 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | | | trans | -144.3 | 47.4 | 171.8 | 59.1 | 0 | 0 | 0 | 0 | 113 | | |
| 190 | I | 31.9 | Very low | 34.4 | Very low | 159 Ų | 159 | 137.2 Ų | 137.2 | 82% | 0.815 | 75% | 0.751 | S | S | * | * | | | trans | -114.7 | 114.4 | 155.8 | -58.9 | -179.4 | 0 | 0 | 0 | 107.3 | | |
| 191 | S | 32.6 | Very low | 34.2 | Very low | 112 Ų | 112 | 138.5 Ų | 138.5 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | | | trans | -94.8 | 117.9 | 178.9 | -56.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 192 | E | 29.6 | Very low | 33.8 | Very low | 191 Ų | 191 | 137.6 Ų | 137.6 | 89% | 0.893 | 76% | 0.759 | S | S | * | * | | | trans | -121.1 | 128.1 | 155.5 | -77.5 | -159.8 | 131 | 0 | 0 | 109.8 | | |
| 193 | S | 35.3 | Very low | 33.8 | Very low | 109 Ų | 109 | 141.7 Ų | 141.7 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | | | trans | -109.5 | 96.4 | -169.9 | -66.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 194 | L | 31.8 | Very low | 33.5 | Very low | 169 Ų | 169 | 140.2 Ų | 140.2 | 89% | 0.885 | 76% | 0.759 | S | S | * | * | | | trans | -140.5 | 123.4 | 161.8 | -68.2 | 178.5 | 0 | 0 | 0 | 107.1 | | |
| 195 | L | 29.8 | Very low | 33.2 | Very low | 153 Ų | 153 | 137.6 Ų | 137.6 | 80% | 0.801 | 76% | 0.758 | S | S | * | * | | | cis | 57 | 105 | 17.3 | -152.7 | 75.3 | 0 | 0 | 0 | 112.3 | | |
| 196 | S | 34.7 | Very low | 32.8 | Very low | 85 Ų | 85 | 136.4 Ų | 136.4 | 59% | 0.594 | 75% | 0.752 | S | S | * | * | | | cis | -157.1 | 172.3 | 13.2 | -139.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 197 | K | 30.8 | Very low | 32.6 | Very low | 187 Ų | 187 | 141.7 Ų | 141.7 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | | | trans | 49.6 | 119 | 153.2 | -64.4 | 166.1 | -178.7 | 178.7 | 0 | 118.3 | | |
| 198 | D | 27 | Very low | 32.4 | Very low | 168 Ų | 168 | 139.8 Ų | 139.8 | 90% | 0.898 | 77% | 0.766 | S | S | * | * | | | | -128.9 | 139.4 | 109.2 | -155 | -10.5 | 0 | 0 | 0 | 108.6 | | |
| 199 | S | 39.4 | Very low | 32.3 | Very low | 96 Ų | 96 | 138 Ų | 138 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | | | trans | -164.5 | 77 | -164.4 | 177.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 200 | L | 34.7 | Very low | 32.1 | Very low | 162 Ų | 162 | 142.7 Ų | 142.7 | 85% | 0.848 | 77% | 0.77 | S | S | * | * | | | trans | -145.6 | 150.2 | 150.7 | -92.2 | 124.9 | 0 | 0 | 0 | 107.2 | | |
| 201 | E | 35.7 | Very low | 32 | Very low | 190 Ų | 190 | 140 Ų | 140 | 89% | 0.888 | 77% | 0.765 | S | S | * | * | | | cis | -112.5 | 150.4 | 13.3 | -65 | 170.1 | 137.2 | 0 | 0 | 113.3 | | |
| 202 | N | 32.7 | Very low | 32.1 | Very low | 100 Ų | 100 | 140.5 Ų | 140.5 | 54% | 0.535 | 77% | 0.765 | S | S | . | * | | | trans | -109.5 | 143.3 | 165.8 | 137.6 | 95 | 0 | 0 | 0 | 107.6 | N204 | N202-N204 PolarHBondContact OD1-ND2 3.35Š|
| 203 | E | 35.8 | Very low | 32.1 | Very low | 153 Ų | 153 | 142.3 Ų | 142.3 | 72% | 0.715 | 76% | 0.764 | S | S | * | * | | | | -155.2 | 155 | 128.7 | -109.1 | -42.8 | 121.5 | 0 | 0 | 112.1 | | |
| 204 | N | 31.2 | Very low | 31.6 | Very low | 99 Ų | 99 | 142.3 Ų | 142.3 | 53% | 0.529 | 76% | 0.764 | S | S | . | * | | | trans | -89.1 | 167.4 | -164.2 | -57.5 | -86.2 | 0 | 0 | 0 | 110.5 | N202 | N202-N204 PolarHBondContact OD1-ND2 3.35Š|
| 205 | S | 34.6 | Very low | 31.6 | Very low | 103 Ų | 103 | 141.2 Ų | 141.2 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | | | | -167 | 122.4 | 80.5 | -77.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 206 | N | 29.6 | Very low | 31.4 | Very low | 129 Ų | 129 | 143.4 Ų | 143.4 | 69% | 0.69 | 76% | 0.757 | S | S | * | * | | | | 48.2 | 102.3 | 121.2 | -53.5 | -36.3 | 0 | 0 | 0 | 119.9 | | |
| 207 | Q | 31.9 | Very low | 30.9 | Very low | 193 Ų | 193 | 143.8 Ų | 143.8 | 90% | 0.902 | 76% | 0.76 | S | S | * | * | | | | -155.8 | 108.8 | 125.3 | -107.3 | 158.1 | 78 | 0 | 0 | 107.9 | | |
| 208 | S | 25.9 | Very low | 30.8 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | | | | 78 | 88.3 | 84.2 | -173 | 0 | 0 | 0 | 0 | 113.3 | | |
| 209 | T | 31.7 | Very low | 30.9 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | | | trans | 18.4 | 110 | 138.8 | -47.9 | 0 | 0 | 0 | 0 | 117.8 | | |
| 210 | F | 27.9 | Very low | 30.5 | Very low | 210 Ų | 210 | 143.9 Ų | 143.9 | 92% | 0.921 | 75% | 0.746 | S | S | * | * | | | | -156.1 | 133.9 | 124.2 | -102.5 | -67.5 | 0 | 0 | 0 | 110.4 | | |
| 211 | S | 29.6 | Very low | 30.4 | Very low | 103 Ų | 103 | 143.1 Ų | 143.1 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | | | trans | -141.8 | 122.6 | 175.4 | 175.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 212 | P | 34 | Very low | 30 | Very low | 122 Ų | 122 | 140.7 Ų | 140.7 | 79% | 0.792 | 74% | 0.735 | S | S | * | * | | | trans | -109.1 | 94.2 | 161.4 | 33.6 | -23.5 | 0 | 0 | 0 | 110 | S214 | P212-S214 PolarHBondContact O-N 3.42Š|
| 213 | R | 29.8 | Very low | 30 | Very low | 228 Ų | 228 | 145.3 Ų | 145.3 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | | | trans | -71.1 | 104.1 | 161.5 | 178.6 | -175.2 | -176 | 177.6 | 1.9 | 108 | | |
| 214 | S | 24 | Very low | 29.9 | Very low | 109 Ų | 109 | 144.9 Ų | 144.9 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | | | trans | -114 | 123 | 173.3 | -167.8 | 0 | 0 | 0 | 0 | 111.1 | P212 | P212-S214 PolarHBondContact O-N 3.42Š|
| 215 | L | 31.8 | Very low | 29.8 | Very low | 147 Ų | 147 | 147.8 Ų | 147.8 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | | | trans | -131.4 | 106.2 | 171.2 | -93.6 | 168.4 | 0 | 0 | 0 | 106.8 | | |
| 216 | Y | 25.7 | Very low | 29.6 | Very low | 199 Ų | 199 | 150.2 Ų | 150.2 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | | | trans | -164.5 | 154.8 | 164.5 | -125.8 | -112.9 | 0 | 0 | 0 | 105.9 | | |
| 217 | S | 25.8 | Very low | 29.5 | Very low | 92 Ų | 92 | 150.5 Ų | 150.5 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | | | cis | -137.4 | 156.4 | 8.6 | -161.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 218 | S | 26.9 | Very low | 29.3 | Very low | 73 Ų | 73 | 150 Ų | 150 | 51% | 0.51 | 75% | 0.753 | S | S | . | * | | | trans | -113.3 | -161.1 | 153.3 | 57.7 | 0 | 0 | 0 | 0 | 109 | | |
| 219 | Y | 29.5 | Very low | 29.5 | Very low | 184 Ų | 184 | 154 Ų | 154 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | | | trans | 73.9 | 146.5 | 175.2 | -42.6 | -72.4 | 0 | 0 | 0 | 116.8 | | |
| 220 | F | 31.3 | Very low | 29.4 | Very low | 196 Ų | 196 | 155.2 Ų | 155.2 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | | | cis | -164.5 | 168.5 | -40.2 | -134.6 | -90.4 | 0 | 0 | 0 | 106.6 | | |
| 221 | L | 33.3 | Very low | 29.3 | Very low | 147 Ų | 147 | 149.7 Ų | 149.7 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | | | trans | -75.7 | 152.2 | 163.6 | -62.8 | 165.3 | 0 | 0 | 0 | 108.4 | | |
| 222 | D | 27.4 | Very low | 29.5 | Very low | 138 Ų | 138 | 151.6 Ų | 151.6 | 74% | 0.738 | 73% | 0.73 | S | S | * | * | | | | -170.4 | -160.3 | 53.6 | -138 | -32.3 | 0 | 0 | 0 | 112.9 | | |
| 223 | F | 32.4 | Very low | 29.4 | Very low | 197 Ų | 197 | 151.2 Ų | 151.2 | 86% | 0.864 | 73% | 0.725 | S | S | * | * | | | trans | -75.3 | 177.7 | -164.1 | -90.3 | -89.1 | 0 | 0 | 0 | 121.3 | | |
| 224 | E | 32.7 | Very low | 29.9 | Very low | 144 Ų | 144 | 146.2 Ų | 146.2 | 67% | 0.673 | 72% | 0.722 | S | S | * | * | | | trans | -60.2 | 151.8 | -169.3 | -97 | -162.5 | 101 | 0 | 0 | 121.1 | | |
| 225 | K | 30.3 | Very low | 30 | Very low | 160 Ų | 160 | 149.8 Ų | 149.8 | 70% | 0.696 | 72% | 0.724 | S | S | * | * | | | trans | 64.4 | 113.3 | 131.6 | -175.9 | -169.8 | -84.2 | 134.6 | 0 | 120.3 | | |
| 226 | L | 29.5 | Very low | 30 | Very low | 154 Ų | 154 | 147.2 Ų | 147.2 | 81% | 0.806 | 72% | 0.718 | S | S | * | * | | | | -166.8 | 147.5 | 100.7 | -163.9 | 61.4 | 0 | 0 | 0 | 114.8 | | |
| 227 | E | 27.3 | Very low | 30.1 | Very low | 135 Ų | 135 | 142.2 Ų | 142.2 | 63% | 0.631 | 72% | 0.718 | S | S | * | * | | | trans | -33.8 | 149.6 | 175.8 | -118.7 | 173.7 | 121.1 | 0 | 0 | 124.1 | | |
| 228 | K | 28.9 | Very low | 31.1 | Very low | 183 Ų | 183 | 143.3 Ų | 143.3 | 80% | 0.796 | 72% | 0.723 | S | S | * | * | | | trans | 83.9 | 157.1 | 144.2 | -90.3 | 161.3 | -176.4 | 156.7 | 0 | 122.6 | | |
| 229 | R | 29.5 | Very low | 31 | Very low | 189 Ų | 189 | 145.6 Ų | 145.6 | 71% | 0.713 | 73% | 0.734 | S | S | * | * | | | trans | -118 | 179.1 | -165.3 | -84.1 | -179.8 | 166.1 | -131.8 | 6.6 | 110.6 | D231 | R229-D231 WeakPolarHBondContact CD-OD1 3.36Å; R229-D231 WeakPolarHBondContact CG-OD1 3.38Å; R229-D231 IonicContact CZ-OD1 3Å; R229-D231 IonicContact CZ-OD2 2.67Å; R229-D231 IonicContact NE-OD1 2.89Å; R229-D231 PolarHBondContact NE-OD1 3.05Å; R229-D231 IonicContact NH1-OD1 3.46Å; R229-D231 PolarHBondContact NH1-OD1 3.46Å; R229-D231 IonicContact NH1-OD2 3.16Å; R229-D231 PolarHBondContact NH1-OD2 2.96Å |
| 230 | H | 29.1 | Very low | 31.1 | Very low | 150 Ų | 150 | 141.5 Ų | 141.5 | 69% | 0.694 | 73% | 0.733 | S | S | * | * | | | cis | -157.5 | 158.3 | 34.8 | -67.5 | -96.2 | 0 | 0 | 0 | 112.8 | | |
| 231 | D | 26.6 | Very low | 31 | Very low | 94 Ų | 94 | 138.4 Ų | 138.4 | 50% | 0.503 | 73% | 0.729 | S | S | . | * | | | cis | -151.2 | -65.3 | -21.2 | -105.5 | -17.5 | 0 | 0 | 0 | 112.9 | R229 | R229-D231 WeakPolarHBondContact CD-OD1 3.36Å; R229-D231 WeakPolarHBondContact CG-OD1 3.38Å; R229-D231 IonicContact CZ-OD1 3Å; R229-D231 IonicContact CZ-OD2 2.67Å; R229-D231 IonicContact NE-OD1 2.89Å; R229-D231 PolarHBondContact NE-OD1 3.05Å; R229-D231 IonicContact NH1-OD1 3.46Å; R229-D231 PolarHBondContact NH1-OD1 3.46Å; R229-D231 IonicContact NH1-OD2 3.16Å; R229-D231 PolarHBondContact NH1-OD2 2.96Å |
| 232 | L | 33.8 | Very low | 30.8 | Very low | 142 Ų | 142 | 137.2 Ų | 137.2 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | | | cis | -138.8 | -128.7 | -7.5 | -134.7 | 171.6 | 0 | 0 | 0 | 111.4 | | |
| 233 | T | 31.1 | Very low | 30.8 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | | | trans | -149.3 | 167.7 | -170.2 | 57.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 234 | P | 41.8 | Very low | 30.5 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 80% | 0.799 | 74% | 0.736 | S | S | * | * | | | cis | -137.1 | -171.1 | 18.7 | 35.3 | -12.3 | 0 | 0 | 0 | 116.5 | | |
| 235 | K | 25.3 | Very low | 30.5 | Very low | 185 Ų | 185 | 131.6 Ų | 131.6 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | | | cis | -177.6 | 135.4 | -40.6 | -176.9 | -177.8 | 168.6 | -178.8 | 0 | 110.6 | | |
| 236 | S | 31.3 | Very low | 30.6 | Very low | 92 Ų | 92 | 131.8 Ų | 131.8 | 64% | 0.643 | 75% | 0.747 | S | S | * | * | | | trans | 33 | 122.6 | 160.9 | 67.3 | 0 | 0 | 0 | 0 | 121.7 | | |
| 237 | A | 28.7 | Very low | 30.5 | Very low | 94 Ų | 94 | 132.6 Ų | 132.6 | 78% | 0.777 | 75% | 0.747 | S | S | * | * | | | | 75.1 | 169.3 | 76.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 238 | P | 45.8 | Very low | 30.4 | Very low | 115 Ų | 115 | 134.3 Ų | 134.3 | 75% | 0.747 | 76% | 0.755 | S | S | * | * | | | cis | -145.5 | -168.3 | 8.6 | 45.3 | -24.5 | 0 | 0 | 0 | 118.1 | | |
| 239 | T | 26.6 | Very low | 30.5 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | | | trans | 76.4 | 93.1 | 147.3 | -50.4 | 0 | 0 | 0 | 0 | 123.3 | | |
| 240 | S | 30.8 | Very low | 30.3 | Very low | 98 Ų | 98 | 133.1 Ų | 133.1 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | | | trans | 3.6 | 149.8 | 135 | 60.4 | 0 | 0 | 0 | 0 | 124.8 | | |
| 241 | V | 28.1 | Very low | 31.1 | Very low | 131 Ų | 131 | 131.1 Ų | 131.1 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | | | | 156 | 149.4 | 121.3 | 158.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 242 | S | 30.6 | Very low | 30.9 | Very low | 122 Ų | 122 | 131.1 Ų | 131.1 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | | | trans | 86.7 | 156 | 157.3 | -88.4 | 0 | 0 | 0 | 0 | 123 | | |
| 243 | A | 26.3 | Very low | 30.8 | Very low | 94 Ų | 94 | 132.8 Ų | 132.8 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | | | trans | -139.6 | 159.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 244 | V | 27.6 | Very low | 30.6 | Very low | 146 Ų | 146 | 134.7 Ų | 134.7 | 89% | 0.885 | 79% | 0.792 | S | S | * | * | | | trans | -142.5 | 155.9 | 175.8 | 179.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 245 | T | 32.1 | Very low | 29.8 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | | | trans | -132.1 | 170.3 | -179.1 | 50.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 246 | L | 33.1 | Very low | 30 | Very low | 164 Ų | 164 | 139.5 Ų | 139.5 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | | | trans | 91.2 | 156.5 | 161.6 | -60.8 | 176.6 | 0 | 0 | 0 | 120.8 | | |
| 247 | Q | 26.2 | Very low | 29.9 | Very low | 172 Ų | 172 | 144.5 Ų | 144.5 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | 64.9 | 111.4 | 171.6 | -103.8 | 160.1 | -8.1 | 0 | 0 | 118 | | |
| 248 | E | 25.9 | Very low | 29.8 | Very low | 170 Ų | 170 | 147.6 Ų | 147.6 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | | | cis | 87.8 | 103.5 | 34.1 | -170.1 | -175 | -131.7 | 0 | 0 | 114.3 | | |
| 249 | Q | 29.9 | Very low | 29.1 | Very low | 196 Ų | 196 | 150.7 Ų | 150.7 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | | | trans | -155.6 | 143.6 | 143.6 | -120.4 | 169.7 | 52.7 | 0 | 0 | 112.3 | | |
| 250 | N | 25.4 | Very low | 29.4 | Very low | 152 Ų | 152 | 153.6 Ų | 153.6 | 81% | 0.813 | 82% | 0.815 | S | S | * | * | | | trans | -118.2 | 178 | 174.8 | -119.3 | -38.3 | 0 | 0 | 0 | 106.6 | | |
| 251 | P | 45.7 | Very low | 29.3 | Very low | 108 Ų | 108 | 157.7 Ų | 157.7 | 70% | 0.701 | 82% | 0.821 | S | S | * | * | | | cis | -135.2 | -176.6 | -11.9 | 37.5 | -18.1 | 0 | 0 | 0 | 114.2 | | |
| 252 | A | 24 | Very low | 29.2 | Very low | 93 Ų | 93 | 160.4 Ų | 160.4 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | | | trans | 30.2 | 132.4 | 144.3 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 253 | L | 31.6 | Very low | 29.2 | Very low | 178 Ų | 178 | 160.5 Ų | 160.5 | 93% | 0.932 | 81% | 0.811 | S | S | * | * | | | trans | -141.5 | 135 | 134.4 | -116.6 | -179.3 | 0 | 0 | 0 | 112 | | |
| 254 | L | 26.1 | Very low | 29.2 | Very low | 153 Ų | 153 | 166.6 Ų | 166.6 | 80% | 0.801 | 81% | 0.814 | S | S | * | * | | | trans | -119.5 | 113.3 | -177 | 176.3 | 143.9 | 0 | 0 | 0 | 110.1 | | |
| 255 | R | 25.4 | Very low | 29.2 | Very low | 221 Ų | 221 | 171.4 Ų | 171.4 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | | | trans | 172.3 | 151.4 | 168.3 | -98.8 | 162.6 | -162.3 | -140.5 | 9.1 | 108.3 | | |
| 256 | K | 28.5 | Very low | 29.3 | Very low | 189 Ų | 189 | 170.1 Ų | 170.1 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | | | cis | -161.6 | 171.8 | -25.7 | -123.5 | -174.9 | -171.7 | -175 | 0 | 107.5 | | |
| 257 | F | 30 | Very low | 29 | Very low | 197 Ų | 197 | 169.8 Ų | 169.8 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | | | trans | -51.9 | 152.1 | 170.3 | -88.9 | -103.1 | 0 | 0 | 0 | 113.9 | | |
| 258 | D | 27 | Very low | 29.6 | Very low | 158 Ų | 158 | 166.2 Ų | 166.2 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | | | trans | -143.2 | 174 | 142.8 | -142.2 | -26.5 | 0 | 0 | 0 | 112.3 | | |
| 259 | K | 30.8 | Very low | 29.5 | Very low | 181 Ų | 181 | 167.4 Ų | 167.4 | 79% | 0.787 | 81% | 0.814 | S | S | * | * | | | trans | -123.2 | 168.2 | -157.9 | -70.5 | 178.6 | 177.4 | 176 | 0 | 116.1 | | |
| 260 | H | 31.5 | Very low | 29.4 | Very low | 182 Ų | 182 | 168.2 Ų | 168.2 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | | | trans | -48.6 | 146.3 | 170 | -54.2 | -104.1 | 0 | 0 | 0 | 115.6 | | |
| 261 | K | 29.6 | Very low | 29.7 | Very low | 184 Ų | 184 | 166.4 Ų | 166.4 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | | | | 170.7 | 133.7 | 100.9 | -104.1 | -164.4 | 171.2 | -166.2 | 0 | 115.9 | | |
| 262 | Q | 26.9 | Very low | 29 | Very low | 187 Ų | 187 | 167.9 Ų | 167.9 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | | | trans | -172.4 | 153.5 | 146.3 | -110.1 | 172.1 | 13.5 | 0 | 0 | 108.2 | | |
| 263 | E | 29.2 | Very low | 29.4 | Very low | 124 Ų | 124 | 170.2 Ų | 170.2 | 58% | 0.579 | 81% | 0.805 | S | S | * | * | | | cis | 73.3 | 126.6 | 12.8 | -94.6 | -174.4 | 93 | 0 | 0 | 116 | | |
| 264 | R | 26.7 | Very low | 29.2 | Very low | 222 Ų | 222 | 168.1 Ų | 168.1 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | | | cis | -145.8 | -177.5 | 15.8 | -90.3 | -170.3 | -177.3 | 177 | 4.9 | 113.8 | | |
| 265 | R | 28.2 | Very low | 29.4 | Very low | 248 Ų | 248 | 166.3 Ų | 166.3 | 94% | 0.936 | 79% | 0.789 | S | S | * | * | | | trans | -96.5 | 150.6 | 170 | -57.8 | 172 | 174.5 | 171.8 | -4.1 | 113.2 | | |
| 266 | A | 33.4 | Very low | 29.6 | Very low | 93 Ų | 93 | 162.3 Ų | 162.3 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | trans | -170 | 159.3 | 141 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 267 | D | 26.8 | Very low | 29.4 | Very low | 157 Ų | 157 | 160.2 Ų | 160.2 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | | | cis | -146.2 | -172.6 | 22.7 | -126.7 | -40.1 | 0 | 0 | 0 | 113.4 | | |
| 268 | S | 38.9 | Very low | 29.2 | Very low | 98 Ų | 98 | 159 Ų | 159 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | | | trans | -142.6 | 168.3 | -164.9 | 68.7 | 0 | 0 | 0 | 0 | 117.7 | | |
| 269 | K | 24.6 | Very low | 29.3 | Very low | 194 Ų | 194 | 158.6 Ų | 158.6 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | | | trans | -166.6 | 123.6 | 153.2 | -101 | 146.9 | -172.6 | 174.5 | 0 | 109.8 | | |
| 270 | W | 28.1 | Very low | 29 | Very low | 214 Ų | 214 | 156 Ų | 156 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | | | | 70.7 | 129.8 | 85.1 | -128.4 | -93 | 0 | 0 | 0 | 112.5 | H272 | W270-H272 AromaticContact CE2-CD2 3.92Å; W270-H272 AromaticContact CZ2-CD2 3.94Å; W270-H272 AromaticContact NE1-CD2 3.94Å |
| 271 | S | 31.4 | Very low | 29 | Very low | 114 Ų | 114 | 152.9 Ų | 152.9 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | | | cis | -147.4 | 179.2 | 49.1 | 59.5 | 0 | 0 | 0 | 0 | 118.2 | | |
| 272 | H | 29.6 | Very low | 29.6 | Very low | 138 Ų | 138 | 150.1 Ų | 150.1 | 64% | 0.639 | 78% | 0.778 | S | S | * | * | | | trans | -109.6 | 165.2 | -170.4 | -82.3 | -81 | 0 | 0 | 0 | 114.8 | W270 | W270-H272 AromaticContact CE2-CD2 3.92Å; W270-H272 AromaticContact CZ2-CD2 3.94Å; W270-H272 AromaticContact NE1-CD2 3.94Å |
| 273 | N | 32.2 | Very low | 29.6 | Very low | 143 Ų | 143 | 151.6 Ų | 151.6 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | | | | 160.8 | 147 | 128.4 | -81.9 | -3.9 | 0 | 0 | 0 | 110.1 | | |
| 274 | N | 28.1 | Very low | 29.6 | Very low | 134 Ų | 134 | 151.6 Ų | 151.6 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | | | cis | -153.6 | 147.2 | 19.2 | -101.9 | -23.5 | 0 | 0 | 0 | 114.1 | | |
| 275 | V | 30 | Very low | 29.7 | Very low | 114 Ų | 114 | 145.9 Ų | 145.9 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | | | trans | 59.1 | 106.7 | 137.3 | -172.7 | 0 | 0 | 0 | 0 | 123.2 | | |
| 276 | D | 29.6 | Very low | 29.7 | Very low | 138 Ų | 138 | 138 Ų | 138 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | | | | 33 | 140.7 | 126.8 | -46.7 | -31.9 | 0 | 0 | 0 | 125.8 | | |
| 277 | V | 25.3 | Very low | 29.4 | Very low | 144 Ų | 144 | 141.3 Ų | 141.3 | 87% | 0.873 | 76% | 0.756 | S | S | * | * | | | | -170.8 | 158 | 110.1 | 146.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 278 | F | 26.2 | Very low | 29.4 | Very low | 171 Ų | 171 | 141 Ų | 141 | 75% | 0.75 | 75% | 0.75 | S | S | * | * | | | trans | -92.8 | 148 | -164 | -70.5 | -94.5 | 0 | 0 | 0 | 117.5 | | |
| 279 | L | 27.7 | Very low | 28.8 | Very low | 151 Ų | 151 | 143.6 Ų | 143.6 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | | | trans | 49.3 | 164.4 | 131 | -57.3 | 175.7 | 0 | 0 | 0 | 120.8 | | |
| 280 | T | 25.6 | Very low | 28.7 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | | | cis | -142 | 163.5 | 21.6 | 45.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 281 | S | 30.2 | Very low | 29.4 | Very low | 115 Ų | 115 | 134.8 Ų | 134.8 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | | | trans | -102.2 | 164.2 | 165.8 | -47.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 282 | P | 42.8 | Very low | 29.1 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 83% | 0.825 | 74% | 0.741 | S | S | * | * | | | trans | -139.2 | 160.8 | 141.7 | 38.3 | -26.7 | 0 | 0 | 0 | 112.4 | | |
| 283 | R | 27.3 | Very low | 28.9 | Very low | 217 Ų | 217 | 135.2 Ų | 135.2 | 82% | 0.819 | 75% | 0.745 | S | S | * | * | | | cis | -156 | 159 | -24.9 | 165.4 | 170.9 | 175.1 | 162 | 1.9 | 106.6 | | |
| 284 | V | 29.7 | Very low | 28.5 | Very low | 124 Ų | 124 | 135.9 Ų | 135.9 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | | | trans | -118.3 | 155.9 | 172.6 | -174.3 | 0 | 0 | 0 | 0 | 112 | | |
| 285 | T | 27.1 | Very low | 28.4 | Very low | 102 Ų | 102 | 134.2 Ų | 134.2 | 63% | 0.626 | 75% | 0.747 | S | S | * | * | | | trans | -144.4 | 112.2 | 156.2 | 45.9 | 0 | 0 | 0 | 0 | 106.7 | | |
| 286 | S | 29.4 | Very low | 28.1 | Very low | 84 Ų | 84 | 135.8 Ų | 135.8 | 59% | 0.587 | 75% | 0.751 | S | S | * | * | | | | 95.2 | 136.1 | 89 | -65.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 287 | E | 26.9 | Very low | 27.8 | Very low | 161 Ų | 161 | 133.5 Ų | 133.5 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | | | cis | -162.2 | -162.7 | -11.1 | -135.9 | 69.2 | -92.8 | 0 | 0 | 105.7 | | |
| 288 | E | 26.6 | Very low | 27.7 | Very low | 150 Ų | 150 | 132.2 Ų | 132.2 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | | | cis | -165.7 | 174.3 | -1.5 | 154.9 | 169.3 | -178.3 | 0 | 0 | 108.2 | | |
| 289 | Q | 26.1 | Very low | 28.1 | Very low | 153 Ų | 153 | 131.5 Ų | 131.5 | 72% | 0.715 | 74% | 0.742 | S | S | * | * | | | trans | 67.7 | 92.2 | 160.9 | -85.8 | 167 | 53.8 | 0 | 0 | 121.7 | | |
| 290 | T | 23.2 | Very low | 28.7 | Very low | 124 Ų | 124 | 130 Ų | 130 | 76% | 0.761 | 74% | 0.74 | S | S | * | * | | | | 18.5 | 161.6 | 111.6 | 52.3 | 0 | 0 | 0 | 0 | 122.3 | | |
| 291 | P | 43.3 | Very low | 28.7 | Very low | 99 Ų | 99 | 130.1 Ų | 130.1 | 64% | 0.643 | 74% | 0.737 | S | S | * | * | | | cis | -140.9 | -174.7 | -17.7 | 37.3 | -17 | 0 | 0 | 0 | 115.6 | | |
| 292 | D | 24.8 | Very low | 28.7 | Very low | 157 Ų | 157 | 132.8 Ų | 132.8 | 84% | 0.84 | 74% | 0.736 | S | S | * | * | | | trans | 63.5 | 165.8 | 151.1 | -62.5 | -26.9 | 0 | 0 | 0 | 119.2 | | |
| 293 | S | 25.2 | Very low | 28.2 | Very low | 104 Ų | 104 | 133 Ų | 133 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | | | cis | -142.6 | 169.3 | 9.2 | 72.2 | 0 | 0 | 0 | 0 | 115 | | |
| 294 | L | 23.3 | Very low | 28.5 | Very low | 157 Ų | 157 | 126.6 Ų | 126.6 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | | | trans | -95.4 | 167.2 | 151.9 | -77.6 | 166 | 0 | 0 | 0 | 109.5 | | |
| 295 | S | 25.4 | Very low | 28.8 | Very low | 99 Ų | 99 | 128.3 Ų | 128.3 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | | | trans | 76.3 | 175.2 | 160.4 | -34.1 | 0 | 0 | 0 | 0 | 114.9 | | |
| 296 | L | 23.7 | Very low | 29 | Very low | 147 Ų | 147 | 131.3 Ų | 131.3 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | | | cis | -155.5 | 166.4 | 12.1 | -165.4 | 70.7 | 0 | 0 | 0 | 110.9 | | |
| 297 | S | 23.8 | Very low | 29 | Very low | 90 Ų | 90 | 135.7 Ų | 135.7 | 63% | 0.629 | 73% | 0.732 | S | S | * | * | | | trans | 59.1 | 127.2 | 148 | 45 | 0 | 0 | 0 | 0 | 120.4 | | |
| 298 | T | 23.6 | Very low | 28.9 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 72% | 0.724 | 73% | 0.733 | S | S | * | * | | | cis | 97.4 | 96.9 | 49.9 | -64 | 0 | 0 | 0 | 0 | 112.7 | | |
| 299 | L | 34.6 | Very low | 28.9 | Very low | 156 Ų | 156 | 130.9 Ų | 130.9 | 82% | 0.817 | 73% | 0.731 | S | S | * | * | | | trans | 58.3 | -172.4 | 153.5 | -61.3 | 173.7 | 0 | 0 | 0 | 115.5 | | |
| 300 | P | 39.3 | Very low | 29.2 | Very low | 118 Ų | 118 | 132.8 Ų | 132.8 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | | | cis | -87.9 | 164.4 | -28.6 | -0.8 | 24.2 | 0 | 0 | 0 | 111.6 | | |
| 301 | N | 26.8 | Very low | 29.4 | Very low | 131 Ų | 131 | 131.9 Ų | 131.9 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | | | | 79.5 | 136.9 | 53.4 | -153.9 | 57 | 0 | 0 | 0 | 114.2 | | |
| 302 | E | 30.4 | Very low | 28.7 | Very low | 170 Ų | 170 | 134.9 Ų | 134.9 | 79% | 0.794 | 74% | 0.744 | S | S | * | * | | | trans | 67 | 145.7 | 174.2 | -74.5 | 163.7 | -132.5 | 0 | 0 | 118.6 | | |
| 303 | D | 32.8 | Very low | 28.8 | Very low | 133 Ų | 133 | 134.6 Ų | 134.6 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | | | cis | -163.4 | 179 | -25.4 | -164.1 | 14 | 0 | 0 | 0 | 110.8 | | |
| 304 | S | 32.8 | Very low | 28.9 | Very low | 81 Ų | 81 | 135.8 Ų | 135.8 | 57% | 0.566 | 74% | 0.739 | S | S | * | * | | | trans | 88.3 | 86.4 | 143.6 | -165.8 | 0 | 0 | 0 | 0 | 122.1 | | |
| 305 | K | 35.8 | Very low | 29.2 | Very low | 161 Ų | 161 | 132.8 Ų | 132.8 | 70% | 0.7 | 73% | 0.73 | S | S | * | * | | | | 59 | 119.8 | 117.6 | -61.7 | 155.9 | -173.3 | 149.5 | 0 | 122.7 | | |
| 306 | H | 32 | Very low | 29.5 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | | | trans | 64.7 | 163 | 133.9 | -75.4 | -104.6 | 0 | 0 | 0 | 119.6 | | |
| 307 | F | 27.7 | Very low | 29.9 | Very low | 177 Ų | 177 | 133.8 Ų | 133.8 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | | | cis | -152.8 | 175.8 | 16.8 | -137.5 | -71.7 | 0 | 0 | 0 | 111.3 | | |
| 308 | V | 24.9 | Very low | 30.2 | Very low | 129 Ų | 129 | 137.7 Ų | 137.7 | 78% | 0.782 | 74% | 0.736 | S | S | * | * | | | trans | 78.7 | 156.9 | 165.2 | -159 | 0 | 0 | 0 | 0 | 116.7 | | |
| 309 | A | 27.5 | Very low | 30.7 | Very low | 80 Ų | 80 | 139.3 Ų | 139.3 | 66% | 0.661 | 74% | 0.739 | S | S | * | * | | | | 174.7 | 143.9 | -76.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 310 | K | 33.3 | Very low | 30.5 | Very low | 194 Ų | 194 | 138.9 Ų | 138.9 | 84% | 0.843 | 74% | 0.736 | S | S | * | * | | | trans | 69 | 102.5 | 156.6 | -68.1 | -178.9 | 178.4 | -179 | 0 | 122.1 | | |
| 311 | S | 27.4 | Very low | 30.3 | Very low | 105 Ų | 105 | 140.8 Ų | 140.8 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | | | | 89.8 | 154 | 109.6 | 77.4 | 0 | 0 | 0 | 0 | 124 | | |
| 312 | M | 27.6 | Very low | 30.6 | Very low | 162 Ų | 162 | 141.2 Ų | 141.2 | 80% | 0.798 | 74% | 0.742 | S | S | * | * | | | trans | 98.8 | 138.8 | 144.1 | -99.8 | -173.9 | 169.6 | 0 | 0 | 121.9 | | |
| 313 | I | 28 | Very low | 30.6 | Very low | 151 Ų | 151 | 139.3 Ų | 139.3 | 77% | 0.774 | 74% | 0.742 | S | S | * | * | | | trans | 72.6 | 142 | 149.5 | -70.3 | 165.3 | 0 | 0 | 0 | 116.8 | | |
| 314 | N | 25.5 | Very low | 30.6 | Very low | 129 Ų | 129 | 140.2 Ų | 140.2 | 69% | 0.69 | 75% | 0.746 | S | S | * | * | | | cis | -172.5 | 162.3 | -19.4 | 178.9 | 33.3 | 0 | 0 | 0 | 109.4 | | |
| 315 | S | 29.6 | Very low | 30.5 | Very low | 93 Ų | 93 | 144.6 Ų | 144.6 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | | | trans | 62.2 | 166.4 | 152.7 | 47.8 | 0 | 0 | 0 | 0 | 119.8 | | |
| 316 | Q | 33.1 | Very low | 30.4 | Very low | 158 Ų | 158 | 142.6 Ų | 142.6 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | | | cis | 172.1 | 165.3 | -29.1 | -174.7 | 72.8 | 3.4 | 0 | 0 | 105.6 | | |
| 317 | T | 32 | Very low | 30.4 | Very low | 109 Ų | 109 | 142 Ų | 142 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | | | trans | 73.1 | 152.1 | 163.5 | 76 | 0 | 0 | 0 | 0 | 117.6 | | |
| 318 | H | 28.7 | Very low | 31 | Very low | 173 Ų | 173 | 137.7 Ų | 137.7 | 80% | 0.801 | 76% | 0.758 | S | S | * | * | | | cis | -152 | -170.4 | -21.4 | -111.5 | -42.9 | 0 | 0 | 0 | 111.6 | | |
| 319 | L | 35.3 | Very low | 31.3 | Very low | 152 Ų | 152 | 139.4 Ų | 139.4 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | | | trans | -105.6 | -173.5 | -170.7 | -70.7 | 164.2 | 0 | 0 | 0 | 113.3 | | |
| 320 | I | 29.8 | Very low | 31.5 | Very low | 147 Ų | 147 | 143.3 Ų | 143.3 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | | | trans | 92.3 | 119.2 | 169.7 | -53.7 | 158.7 | 0 | 0 | 0 | 111.8 | | |
| 321 | L | 36.3 | Very low | 31.5 | Very low | 157 Ų | 157 | 139 Ų | 139 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | | | cis | 92.7 | 161.5 | 35.8 | -68 | 176.3 | 0 | 0 | 0 | 114.8 | | |
| 322 | D | 31.3 | Very low | 31.7 | Very low | 141 Ų | 141 | 143.4 Ų | 143.4 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | | | trans | 78 | 138.4 | -175.7 | -52.9 | -19.8 | 0 | 0 | 0 | 114.6 | | |
| 323 | T | 31.6 | Very low | 31.8 | Very low | 129 Ų | 129 | 141.1 Ų | 141.1 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | | | cis | -154.9 | 164.1 | 2.6 | -2.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 324 | D | 31.7 | Very low | 32 | Very low | 152 Ų | 152 | 141.5 Ų | 141.5 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | | | trans | -71.5 | -176.2 | 167.9 | -40.8 | -88.6 | 0 | 0 | 0 | 111.8 | | |
| 325 | E | 30.8 | Very low | 32.2 | Very low | 173 Ų | 173 | 143.5 Ų | 143.5 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | | | cis | -156 | 161.8 | 9.9 | -142.8 | -173.5 | -166.6 | 0 | 0 | 105.6 | | |
| 326 | V | 33.9 | Very low | 32.4 | Very low | 119 Ų | 119 | 145.5 Ų | 145.5 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | | | cis | -122.1 | -124.5 | 8.1 | -154.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 327 | D | 32.1 | Very low | 32.2 | Very low | 153 Ų | 153 | 145.5 Ų | 145.5 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | cis | -148.4 | 169.3 | 0 | -154.4 | -10.1 | 0 | 0 | 0 | 110.1 | | |
| 328 | A | 39.8 | Very low | 32.1 | Very low | 85 Ų | 85 | 145 Ų | 145 | 70% | 0.702 | 80% | 0.798 | S | S | * | * | | | trans | -116.8 | 151.4 | -159.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 329 | D | 31.7 | Very low | 32.4 | Very low | 165 Ų | 165 | 143 Ų | 143 | 88% | 0.882 | 80% | 0.798 | S | S | * | * | | | trans | -160.6 | 167.4 | 144.7 | -123.4 | -23.2 | 0 | 0 | 0 | 113.5 | | |
| 330 | D | 32.3 | Very low | 32.3 | Very low | 163 Ų | 163 | 144.4 Ų | 144.4 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | | | trans | -64 | 140.7 | -167.3 | -95.1 | -38.7 | 0 | 0 | 0 | 117.7 | | |
| 331 | A | 33.8 | Very low | 32.6 | Very low | 104 Ų | 104 | 145 Ų | 145 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | | | trans | -153.5 | 161.6 | 151.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 332 | K | 30.7 | Very low | 32.7 | Very low | 197 Ų | 197 | 144.8 Ų | 144.8 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | | | trans | -144.7 | 149 | -166.3 | -124.5 | -170.2 | -178 | 176.3 | 0 | 113.4 | | |
| 333 | V | 29.9 | Very low | 32.9 | Very low | 113 Ų | 113 | 145.4 Ų | 145.4 | 69% | 0.685 | 81% | 0.808 | S | S | * | * | | | trans | 80 | 149.4 | 148.4 | 169.2 | 0 | 0 | 0 | 0 | 119.1 | | |
| 334 | E | 31.2 | Very low | 33.1 | Very low | 160 Ų | 160 | 147.5 Ų | 147.5 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | | | trans | 75.3 | 79.6 | 164.7 | -86.6 | 156.2 | -136.7 | 0 | 0 | 119.9 | | |
| 335 | D | 30 | Very low | 33.2 | Very low | 170 Ų | 170 | 148.7 Ų | 148.7 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | | | trans | -71.4 | 130 | 134 | -93 | -41 | 0 | 0 | 0 | 109.3 | | |
| 336 | L | 34.2 | Very low | 33.2 | Very low | 135 Ų | 135 | 146.5 Ų | 146.5 | 71% | 0.707 | 82% | 0.821 | S | S | * | * | | | trans | -146.1 | 105.1 | 163.5 | -94.5 | 178.6 | 0 | 0 | 0 | 111.6 | A338 | L336-A338 PolarHBondContact O-N 2.96Š|
| 337 | D | 29.5 | Very low | 33.1 | Very low | 159 Ų | 159 | 152.5 Ų | 152.5 | 85% | 0.85 | 83% | 0.831 | S | S | * | * | | | trans | 25.9 | 88.9 | 146.3 | -58.2 | -11.3 | 0 | 0 | 0 | 118 | | |
| 338 | A | 30.6 | Very low | 33 | Very low | 97 Ų | 97 | 150.9 Ų | 150.9 | 80% | 0.802 | 83% | 0.831 | S | S | * | * | | | trans | -93.6 | 143.6 | 155.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | L336 | L336-A338 PolarHBondContact O-N 2.96Š|
| 339 | T | 34.5 | Very low | 32.5 | Very low | 132 Ų | 132 | 155.6 Ų | 155.6 | 81% | 0.81 | 84% | 0.838 | S | S | * | * | | | trans | -83.2 | 115.8 | -171.4 | 47.3 | 0 | 0 | 0 | 0 | 113.6 | D341 | T339-D341 PolarHBondContact O-N 3.28Š|
| 340 | E | 33.3 | Very low | 32.5 | Very low | 182 Ų | 182 | 155.5 Ų | 155.5 | 85% | 0.85 | 84% | 0.836 | S | S | * | * | | | trans | -79.5 | 84.6 | 170.4 | -67.3 | -170.6 | 138.4 | 0 | 0 | 112.4 | | |
| 341 | D | 36.6 | Very low | 32.4 | Very low | 158 Ų | 158 | 155.2 Ų | 155.2 | 85% | 0.845 | 83% | 0.833 | S | S | * | * | | | trans | -112.3 | 2.6 | 167.7 | -97.1 | -42.1 | 0 | 0 | 0 | 113.1 | T339 | T339-D341 PolarHBondContact O-N 3.28Š|
| 342 | D | 37.1 | Very low | 32 | Very low | 153 Ų | 153 | 155.8 Ų | 155.8 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -132.2 | 21 | -157.5 | -132.1 | -8.4 | 0 | 0 | 0 | 116.2 | | |
| 343 | L | 36.6 | Very low | 31.9 | Very low | 155 Ų | 155 | 154 Ų | 154 | 81% | 0.812 | 83% | 0.831 | S | S | * | * | | | trans | -135.7 | 40.6 | -173.9 | -79.4 | -178.7 | 0 | 0 | 0 | 117.2 | | |
| 344 | L | 34.8 | Very low | 31.7 | Very low | 173 Ų | 173 | 155.7 Ų | 155.7 | 91% | 0.906 | 84% | 0.836 | S | S | * | * | | | trans | -130.6 | 13.8 | 169.3 | -80.4 | -179.6 | 0 | 0 | 0 | 116.8 | C346 | L344-C346 PolarHBondContact O-N 3.06Š|
| 345 | L | 34 | Very low | 31.7 | Very low | 177 Ų | 177 | 152.1 Ų | 152.1 | 93% | 0.927 | 83% | 0.828 | S | S | * | * | | | trans | -78.2 | 56.6 | 173.9 | -169.3 | 65.4 | 0 | 0 | 0 | 112.6 | | |
| 346 | C | 30.3 | Very low | 31.7 | Very low | 127 Ų | 127 | 152.2 Ų | 152.2 | 86% | 0.858 | 82% | 0.823 | S | S | * | * | | | trans | -154.1 | 44.2 | -173.2 | -122.8 | 0 | 0 | 0 | 0 | 117.3 | L344 | L344-C346 PolarHBondContact O-N 3.06Š|
| 347 | R | 31.4 | Very low | 31.4 | Very low | 245 Ų | 245 | 152.9 Ų | 152.9 | 93% | 0.925 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -152.7 | 31.9 | 167.5 | -139.8 | -177.6 | 174.3 | 144.4 | 3.5 | 119.7 | | |
| 348 | S | 29.9 | Very low | 31.3 | Very low | 118 Ų | 118 | 151.5 Ų | 151.5 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -134.2 | 36.2 | -176.4 | -53.5 | 0 | 0 | 0 | 0 | 115.4 | | |
| 349 | Q | 30.3 | Very low | 31.2 | Very low | 184 Ų | 184 | 157.4 Ų | 157.4 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | | | trans | -149.3 | 62.5 | -173 | -157.7 | 75.8 | 49.3 | 0 | 0 | 115.4 | | |
| 350 | I | 30.7 | Very low | 31.3 | Very low | 164 Ų | 164 | 157.3 Ų | 157.3 | 84% | 0.841 | 83% | 0.829 | S | S | * | * | | | trans | -142.9 | 145 | 157.9 | -41.4 | 178 | 0 | 0 | 0 | 109.3 | | |
| 351 | I | 30.1 | Very low | 31 | Very low | 156 Ų | 156 | 154.2 Ų | 154.2 | 80% | 0.8 | 83% | 0.828 | S | S | * | * | | | trans | 75.4 | 89.9 | 175.2 | -41.9 | -176.7 | 0 | 0 | 0 | 115.4 | | |
| 352 | S | 26.5 | Very low | 30.6 | Very low | 117 Ų | 117 | 151.6 Ų | 151.6 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | | | trans | -153 | 103.4 | 144.9 | -75 | 0 | 0 | 0 | 0 | 107.6 | | |
| 353 | D | 27.6 | Very low | 30.4 | Very low | 159 Ų | 159 | 153.4 Ų | 153.4 | 85% | 0.85 | 83% | 0.828 | S | S | * | * | | | trans | -145.5 | 146.9 | 171.1 | -85.6 | -49.7 | 0 | 0 | 0 | 108.4 | | |
| 354 | D | 26.6 | Very low | 30 | Very low | 149 Ų | 149 | 152.7 Ų | 152.7 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | | | trans | 26.1 | 124.2 | 178.2 | -75.7 | -36.3 | 0 | 0 | 0 | 121.2 | | |
| 355 | S | 31 | Very low | 30 | Very low | 84 Ų | 84 | 152 Ų | 152 | 59% | 0.587 | 82% | 0.821 | S | S | * | * | | | cis | 114.1 | 146.6 | 15.8 | 84.6 | 0 | 0 | 0 | 0 | 114.5 | | |
| 356 | Q | 30.1 | Very low | 30.2 | Very low | 172 Ų | 172 | 148 Ų | 148 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | 98.5 | 148.8 | 162.8 | -60.4 | 179.8 | 69.7 | 0 | 0 | 121.3 | | |
| 357 | L | 29 | Very low | 29.9 | Very low | 149 Ų | 149 | 151.4 Ų | 151.4 | 78% | 0.78 | 81% | 0.806 | S | S | * | * | | | trans | 87.2 | 74.7 | 165 | -50.4 | -170.6 | 0 | 0 | 0 | 121.1 | | |
| 358 | T | 27.1 | Very low | 29.6 | Very low | 131 Ų | 131 | 144.7 Ų | 144.7 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | | 65.2 | 118.5 | 115.4 | -48.5 | 0 | 0 | 0 | 0 | 122.3 | | |
| 359 | Y | 27.1 | Very low | 29.5 | Very low | 220 Ų | 220 | 143.5 Ų | 143.5 | 86% | 0.863 | 79% | 0.789 | S | S | * | * | | | trans | -76.6 | 162.1 | 165.6 | -82.5 | -76.3 | 0 | 0 | 0 | 112.9 | | |
| 360 | P | 37.8 | Very low | 29.4 | Very low | 130 Ų | 130 | 142.1 Ų | 142.1 | 84% | 0.844 | 78% | 0.782 | S | S | * | * | | | | -153.8 | -170.6 | 67.1 | 41.7 | -18.7 | 0 | 0 | 0 | 118 | | |
| 361 | S | 25.7 | Very low | 29.5 | Very low | 118 Ų | 118 | 141.3 Ų | 141.3 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | | | trans | -113.4 | 157.1 | -174 | 68.6 | 0 | 0 | 0 | 0 | 114.8 | | |
| 362 | A | 28.8 | Very low | 29.4 | Very low | 102 Ų | 102 | 137.2 Ų | 137.2 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | | | trans | -155.8 | 178.2 | 158 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 363 | K | 32.3 | Very low | 29.4 | Very low | 191 Ų | 191 | 138.8 Ų | 138.8 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | | | trans | -129.1 | 163.1 | -179.2 | -62.2 | 179.9 | 178.2 | 176.3 | 0 | 112.6 | | |
| 364 | N | 29.7 | Very low | 29.3 | Very low | 141 Ų | 141 | 138.4 Ų | 138.4 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | | | trans | 86.1 | 110.1 | 153.7 | -56.9 | -25.3 | 0 | 0 | 0 | 121.2 | | |
| 365 | I | 34 | Very low | 29.4 | Very low | 157 Ų | 157 | 137.6 Ų | 137.6 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | | | trans | 1 | 148.1 | 131.1 | 14.4 | 176.1 | 0 | 0 | 0 | 118.1 | | |
| 366 | P | 37.5 | Very low | 29.1 | Very low | 94 Ų | 94 | 141.3 Ų | 141.3 | 61% | 0.61 | 77% | 0.774 | S | S | * | * | | | | -158.3 | 178.3 | 54.5 | 44.5 | -23.5 | 0 | 0 | 0 | 121 | | |
| 367 | F | 24.1 | Very low | 28.8 | Very low | 198 Ų | 198 | 138.6 Ų | 138.6 | 87% | 0.868 | 77% | 0.769 | S | S | * | * | | | trans | 66.3 | 162.8 | 154.1 | -63.4 | -45 | 0 | 0 | 0 | 120.9 | | |
| 368 | S | 25.5 | Very low | 29.3 | Very low | 105 Ų | 105 | 136.8 Ų | 136.8 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | | | cis | -173.4 | -179.6 | -30.5 | -166.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 369 | S | 29.1 | Very low | 29.1 | Very low | 92 Ų | 92 | 137.8 Ų | 137.8 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | | | trans | 74.1 | 156.1 | 168.2 | 118.3 | 0 | 0 | 0 | 0 | 117.3 | | |
| 370 | E | 27.7 | Very low | 29.3 | Very low | 155 Ų | 155 | 135 Ų | 135 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | | | cis | -153.8 | 130.4 | -4.8 | -119 | 154.6 | 132.3 | 0 | 0 | 109.2 | | |
| 371 | N | 32.2 | Very low | 28.7 | Very low | 148 Ų | 148 | 139.5 Ų | 139.5 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | | | | 73 | 138.5 | 94.6 | -68.9 | -16.6 | 0 | 0 | 0 | 118.9 | | |
| 372 | G | 27.3 | Very low | 28.7 | Very low | 69 Ų | 69 | 138.4 Ų | 138.4 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | | | trans | 128 | 73.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 373 | I | 28.2 | Very low | 28.7 | Very low | 151 Ų | 151 | 140.1 Ų | 140.1 | 77% | 0.774 | 75% | 0.748 | S | S | * | * | | | | 70.2 | 108.9 | 69.3 | -56.8 | 167.5 | 0 | 0 | 0 | 114.5 | | |
| 374 | L | 25.1 | Very low | 28.4 | Very low | 150 Ų | 150 | 134.7 Ų | 134.7 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | | | | -162.8 | 135.5 | 126.1 | -149.6 | 64.5 | 0 | 0 | 0 | 113.5 | | |
| 375 | L | 27.2 | Very low | 28.4 | Very low | 133 Ų | 133 | 134.7 Ų | 134.7 | 70% | 0.696 | 74% | 0.739 | S | S | * | * | | | trans | 9.6 | 150.3 | 151.8 | -51.7 | 172.6 | 0 | 0 | 0 | 121 | | |
| 376 | E | 24.8 | Very low | 28.3 | Very low | 161 Ų | 161 | 134.2 Ų | 134.2 | 75% | 0.752 | 74% | 0.738 | S | S | * | * | | | cis | -154.8 | -170.9 | 6 | -134.4 | 164.9 | 171.7 | 0 | 0 | 116.2 | | |
| 377 | T | 24.3 | Very low | 27.9 | Very low | 116 Ų | 116 | 139.6 Ų | 139.6 | 71% | 0.712 | 75% | 0.747 | S | S | * | * | | | trans | -90.6 | -164.9 | -161.1 | 63.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 378 | P | 39.1 | Very low | 28.3 | Very low | 110 Ų | 110 | 137.4 Ų | 137.4 | 71% | 0.714 | 74% | 0.744 | S | S | * | * | | | cis | -148.2 | 173.6 | 6.4 | 43.2 | -21.3 | 0 | 0 | 0 | 121.6 | | |
| 379 | M | 24.3 | Very low | 28.5 | Very low | 153 Ų | 153 | 138.7 Ų | 138.7 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | | | trans | 72 | 90.6 | 142.9 | -149.6 | 70.3 | 89.6 | 0 | 0 | 125.6 | | |
| 380 | K | 31.2 | Very low | 28.4 | Very low | 160 Ų | 160 | 141.8 Ų | 141.8 | 70% | 0.696 | 75% | 0.752 | S | S | * | * | | | | 35.3 | 137 | 119.4 | -57.6 | 179 | -168.7 | 161.3 | 0 | 124.2 | | |
| 381 | R | 24.7 | Very low | 28.5 | Very low | 226 Ų | 226 | 142.6 Ų | 142.6 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | | | trans | 73.7 | 157.1 | 140.6 | -75.3 | 172.6 | 179.8 | 172.1 | -3.2 | 119.8 | | |
| 382 | S | 25.4 | Very low | 28.5 | Very low | 94 Ų | 94 | 141.3 Ų | 141.3 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | | | cis | -179.4 | 158 | -27.2 | 58.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 383 | V | 28.3 | Very low | 28.6 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 84% | 0.836 | 76% | 0.755 | S | S | * | * | | | trans | 83.7 | 142.1 | 147 | 160.8 | 0 | 0 | 0 | 0 | 122 | | |
| 384 | A | 27.3 | Very low | 28.7 | Very low | 77 Ų | 77 | 143.8 Ų | 143.8 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | | | trans | 81.5 | 109.7 | 154.5 | 0 | 0 | 0 | 0 | 0 | 124.2 | | |
| 385 | N | 28.6 | Very low | 29.1 | Very low | 141 Ų | 141 | 146 Ų | 146 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | | | | 24.2 | 129.4 | 124.4 | -45.9 | -5.4 | 0 | 0 | 0 | 121.6 | | |
| 386 | N | 32 | Very low | 29 | Very low | 148 Ų | 148 | 144 Ų | 144 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | | | | 174.7 | 170.8 | 100.1 | -94 | -45 | 0 | 0 | 0 | 115.5 | | |
| 387 | Y | 29.3 | Very low | 28.9 | Very low | 206 Ų | 206 | 142.2 Ų | 142.2 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | | | trans | -63.9 | 152.5 | 177.6 | -57.3 | -105.5 | 0 | 0 | 0 | 115.3 | | |
| 388 | L | 31.8 | Very low | 29.6 | Very low | 153 Ų | 153 | 144.9 Ų | 144.9 | 80% | 0.801 | 75% | 0.751 | S | S | * | * | | | | -166.8 | -178.8 | 100.3 | -137.2 | 84.8 | 0 | 0 | 0 | 112.4 | | |
| 389 | N | 29.9 | Very low | 29.1 | Very low | 132 Ų | 132 | 148.5 Ų | 148.5 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | | | trans | -94.7 | 173.6 | -179.1 | -31.8 | -67.4 | 0 | 0 | 0 | 111.7 | | |
| 390 | D | 27.6 | Very low | 29.1 | Very low | 156 Ų | 156 | 147.3 Ų | 147.3 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | | | | -169 | 168.5 | 105.1 | -96.6 | -10.8 | 0 | 0 | 0 | 113 | | |
| 391 | E | 30.4 | Very low | 29 | Very low | 173 Ų | 173 | 145.6 Ų | 145.6 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | | | trans | -129.3 | 170.7 | -166.1 | -163.2 | -175.8 | -162.8 | 0 | 0 | 110.6 | | |
| 392 | V | 31.4 | Very low | 29.4 | Very low | 121 Ų | 121 | 141.6 Ų | 141.6 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | | | trans | 63.8 | 140.7 | 171.6 | -113.8 | 0 | 0 | 0 | 0 | 115.1 | | |
| 393 | L | 30 | Very low | 29.4 | Very low | 144 Ų | 144 | 146.5 Ų | 146.5 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | | | | -167.2 | 164.1 | 65.5 | -148.9 | 77 | 0 | 0 | 0 | 112.7 | | |
| 394 | L | 30.9 | Very low | 29.4 | Very low | 128 Ų | 128 | 147.2 Ų | 147.2 | 67% | 0.67 | 75% | 0.746 | S | S | * | * | | | trans | 63.7 | 82 | 158.7 | -73.8 | 180 | 0 | 0 | 0 | 120.6 | T396 | L394-T396 HydrophobicContact CD2-CG2 4.17Å; L394-T396 PolarHBondContact O-N 3.49Å |
| 395 | H | 32.6 | Very low | 29.6 | Very low | 196 Ų | 196 | 147.7 Ų | 147.7 | 91% | 0.907 | 75% | 0.745 | S | S | * | * | | | trans | -57.2 | 108.9 | 133.7 | -176.2 | 51.5 | 0 | 0 | 0 | 110.7 | | |
| 396 | T | 24.2 | Very low | 29.7 | Very low | 91 Ų | 91 | 147.4 Ų | 147.4 | 56% | 0.558 | 74% | 0.739 | S | S | * | * | | | trans | -148.2 | 114.6 | 170.5 | 12 | 0 | 0 | 0 | 0 | 112.7 | L394 | L394-T396 HydrophobicContact CD2-CG2 4.17Å; L394-T396 PolarHBondContact O-N 3.49Å |
| 397 | V | 24.3 | Very low | 29.6 | Very low | 124 Ų | 124 | 148 Ų | 148 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | | | | 64.8 | 151.3 | 121.1 | 172.5 | 0 | 0 | 0 | 0 | 119.5 | | |
| 398 | K | 37.3 | Very low | 29.6 | Very low | 172 Ų | 172 | 144.9 Ų | 144.9 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | | | trans | 64.3 | 93.1 | -173.2 | -77.9 | 175.1 | 174.9 | 174.1 | 0 | 112.5 | | |
| 399 | E | 29.7 | Very low | 29.4 | Very low | 186 Ų | 186 | 141 Ų | 141 | 87% | 0.869 | 73% | 0.726 | S | S | * | * | | | cis | 53.5 | 62.6 | 21.3 | -159.6 | -176.6 | -124.7 | 0 | 0 | 112.6 | | |
| 400 | N | 25.1 | Very low | 29.5 | Very low | 128 Ų | 128 | 139.6 Ų | 139.6 | 68% | 0.684 | 73% | 0.727 | S | S | * | * | | | trans | -165.7 | 132.6 | 153.2 | -94.8 | -68.6 | 0 | 0 | 0 | 104.2 | | |
| 401 | L | 28.9 | Very low | 29.5 | Very low | 124 Ų | 124 | 140.1 Ų | 140.1 | 65% | 0.649 | 73% | 0.728 | S | S | * | * | | | cis | -150.2 | 132.3 | 36.6 | -154.7 | 72.9 | 0 | 0 | 0 | 110.7 | | |
| 402 | Q | 32.8 | Very low | 29.4 | Very low | 142 Ų | 142 | 136.3 Ų | 136.3 | 66% | 0.664 | 72% | 0.721 | S | S | * | * | | | trans | 61.5 | 152.5 | 144.9 | -72.6 | 170.7 | 16 | 0 | 0 | 119.9 | | |
| 403 | R | 25.3 | Very low | 29.5 | Very low | 197 Ų | 197 | 138 Ų | 138 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | | | cis | -169.7 | 146.4 | -20.4 | -123.7 | 177.3 | -178 | 172.3 | -2.1 | 107 | | |
| 404 | L | 28.9 | Very low | 29.5 | Very low | 152 Ų | 152 | 137.3 Ų | 137.3 | 80% | 0.796 | 72% | 0.721 | S | S | * | * | | | trans | 64.1 | 133.9 | 156.9 | -94.6 | 74 | 0 | 0 | 0 | 115.7 | | |
| 405 | S | 30.2 | Very low | 29.6 | Very low | 87 Ų | 87 | 138.3 Ų | 138.3 | 61% | 0.608 | 73% | 0.727 | S | S | * | * | | | | 89.3 | 137.3 | 95.5 | 178.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 406 | E | 31.5 | Very low | 29.5 | Very low | 135 Ų | 135 | 136 Ų | 136 | 63% | 0.631 | 72% | 0.72 | S | S | * | * | | | cis | -149.7 | 135.4 | -15.8 | -107.4 | 173.3 | 112.7 | 0 | 0 | 106.5 | | |
| 407 | K | 28.6 | Very low | 29.8 | Very low | 162 Ų | 162 | 138.8 Ų | 138.8 | 70% | 0.704 | 73% | 0.732 | S | S | * | * | | | | 68.9 | 133 | 75.9 | 179.1 | -157.9 | -180 | -164.7 | 0 | 112.4 | | |
| 408 | V | 31.2 | Very low | 30.2 | Very low | 140 Ų | 140 | 141.9 Ų | 141.9 | 85% | 0.848 | 74% | 0.735 | S | S | * | * | | | trans | 68.4 | 141.5 | 167.7 | 152.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 409 | A | 27.6 | Very low | 29.8 | Very low | 71 Ų | 71 | 140.1 Ų | 140.1 | 59% | 0.587 | 74% | 0.738 | S | S | * | * | | | cis | -152.2 | 146.5 | -13.8 | 0 | 0 | 0 | 0 | 0 | 106.1 | | |
| 410 | S | 31.6 | Very low | 29.7 | Very low | 102 Ų | 102 | 136.6 Ų | 136.6 | 71% | 0.713 | 73% | 0.734 | S | S | * | * | | | | 55.9 | 147.5 | 64.6 | 86.5 | 0 | 0 | 0 | 0 | 114.9 | | |
| 411 | I | 26.5 | Very low | 29.8 | Very low | 168 Ų | 168 | 137.5 Ų | 137.5 | 86% | 0.862 | 74% | 0.739 | S | S | * | * | | | trans | 75.3 | 141.1 | 179.5 | -54.1 | 167.6 | 0 | 0 | 0 | 113.2 | | |
| 412 | S | 29.2 | Very low | 29.8 | Very low | 93 Ų | 93 | 138 Ų | 138 | 65% | 0.65 | 74% | 0.742 | S | S | * | * | | | cis | -169.7 | -155.3 | -22.1 | -173.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 413 | I | 32.6 | Very low | 29.5 | Very low | 156 Ų | 156 | 137.7 Ų | 137.7 | 80% | 0.8 | 74% | 0.742 | S | S | * | * | | | trans | 77.4 | 100.6 | 172.9 | -48 | 167 | 0 | 0 | 0 | 112.6 | | |
| 414 | N | 30.2 | Very low | 29.8 | Very low | 130 Ų | 130 | 138.3 Ų | 138.3 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | | | | 75 | 135.7 | 53.8 | -72.4 | -20.2 | 0 | 0 | 0 | 116.4 | | |
| 415 | N | 33.1 | Very low | 29.8 | Very low | 148 Ų | 148 | 138.3 Ų | 138.3 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | | | trans | 71.3 | 149.8 | 165.3 | -66.6 | -32 | 0 | 0 | 0 | 116.8 | | |
| 416 | L | 30.9 | Very low | 29.9 | Very low | 148 Ų | 148 | 139.4 Ų | 139.4 | 78% | 0.775 | 75% | 0.745 | S | S | * | * | | | cis | -150.4 | 160.1 | 4.5 | -130.5 | 166.3 | 0 | 0 | 0 | 111.3 | | |
| 417 | N | 30.9 | Very low | 29.8 | Very low | 150 Ų | 150 | 142.1 Ų | 142.1 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | | | trans | -79.2 | 140.7 | 169.4 | -77.9 | -38 | 0 | 0 | 0 | 112.4 | | |
| 418 | K | 31.7 | Very low | 30.3 | Very low | 189 Ų | 189 | 143.5 Ų | 143.5 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | | | trans | -167 | 129.1 | 149 | -102 | 151 | -176.1 | -178.9 | 0 | 107.7 | | |
| 419 | V | 28.4 | Very low | 30.8 | Very low | 134 Ų | 134 | 142.5 Ų | 142.5 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | | | | 60.5 | 123.4 | 89.5 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 420 | S | 28.5 | Very low | 31 | Very low | 112 Ų | 112 | 145.9 Ų | 145.9 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | | | cis | -150.5 | -179.9 | 37.1 | -151.6 | 0 | 0 | 0 | 0 | 115.9 | | |
| 421 | N | 27 | Very low | 31 | Very low | 148 Ų | 148 | 148.4 Ų | 148.4 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | | | trans | -82.6 | 145.3 | 169.3 | -64.7 | -62.6 | 0 | 0 | 0 | 112.5 | | |
| 422 | L | 28.4 | Very low | 31.1 | Very low | 134 Ų | 134 | 144.6 Ų | 144.6 | 70% | 0.702 | 77% | 0.766 | S | S | * | * | | | trans | -161.8 | 112 | 137.6 | -133.5 | 65.7 | 0 | 0 | 0 | 107.1 | Y424 | L422-Y424 HydrophobicContact CD2-CE2 4.16Š|
| 423 | M | 27 | Very low | 31.1 | Very low | 135 Ų | 135 | 144.9 Ų | 144.9 | 67% | 0.665 | 77% | 0.774 | S | S | * | * | | | | 48.1 | 100.8 | 70.2 | -89 | -59.4 | -57.5 | 0 | 0 | 114.4 | Q425 | M423-Q425 HydrophobicContact CE-CB 4.48Å; M423-Q425 HydrophobicContact CE-CG 4.33Å |
| 424 | Y | 32.3 | Very low | 30.9 | Very low | 210 Ų | 210 | 142.4 Ų | 142.4 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | | | trans | -136.1 | 122.3 | 148 | -80.1 | -74.1 | 0 | 0 | 0 | 108.8 | L422 | L422-Y424 HydrophobicContact CD2-CE2 4.16Š|
| 425 | Q | 28.7 | Very low | 30.9 | Very low | 153 Ų | 153 | 142.6 Ų | 142.6 | 72% | 0.715 | 78% | 0.777 | S | S | * | * | | | trans | -101.3 | 145.2 | 160.3 | -95.4 | -143.6 | 63 | 0 | 0 | 108.9 | M423 | M423-Q425 HydrophobicContact CE-CB 4.48Å; M423-Q425 HydrophobicContact CE-CG 4.33Å |
| 426 | T | 31.7 | Very low | 31 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | | | trans | 36.6 | 114.7 | 133.6 | -45 | 0 | 0 | 0 | 0 | 118.7 | | |
| 427 | E | 29.3 | Very low | 31 | Very low | 191 Ų | 191 | 138.2 Ų | 138.2 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | | | | -158.5 | 162.5 | 125.1 | -115.4 | 162.9 | -146.5 | 0 | 0 | 112.9 | | |
| 428 | K | 38.7 | Very low | 30.9 | Very low | 192 Ų | 192 | 136.9 Ų | 136.9 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | | | trans | -131.3 | 143.6 | 176.7 | -67.5 | -179.1 | 179.6 | 179.4 | 0 | 109.2 | | |
| 429 | P | 41.8 | Very low | 30.7 | Very low | 119 Ų | 119 | 132.8 Ų | 132.8 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | | | | -128.3 | 138.9 | 125.5 | 0.6 | 21.8 | 0 | 0 | 0 | 110.8 | | |
| 430 | I | 32 | Very low | 30.6 | Very low | 142 Ų | 142 | 134 Ų | 134 | 73% | 0.728 | 77% | 0.768 | S | S | * | * | | | | 108.1 | 145.9 | 56.4 | -82.7 | 168.9 | 0 | 0 | 0 | 110.5 | | |
| 431 | N | 31.3 | Very low | 30.7 | Very low | 155 Ų | 155 | 132.9 Ų | 132.9 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | | | trans | 72.2 | 157.1 | 177.3 | -60.8 | -23 | 0 | 0 | 0 | 118.7 | | |
| 432 | A | 30 | Very low | 30.8 | Very low | 87 Ų | 87 | 132 Ų | 132 | 72% | 0.719 | 76% | 0.755 | S | S | * | * | | | cis | -172.3 | 149.5 | -35.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 433 | A | 27.9 | Very low | 30.8 | Very low | 100 Ų | 100 | 132.5 Ų | 132.5 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | | | trans | 59.7 | 145.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 434 | S | 28.9 | Very low | 30.8 | Very low | 104 Ų | 104 | 136.3 Ų | 136.3 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | cis | 106.1 | 147.3 | 11.2 | -163.1 | 0 | 0 | 0 | 0 | 115.1 | | |
| 435 | T | 30.8 | Very low | 30.5 | Very low | 134 Ų | 134 | 131 Ų | 131 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | | | trans | 70.9 | 148.2 | -175.5 | 73.2 | 0 | 0 | 0 | 0 | 115.4 | | |
| 436 | S | 35.2 | Very low | 30.5 | Very low | 111 Ų | 111 | 130.9 Ų | 130.9 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | | | cis | -157.4 | 148.6 | -2.6 | 48.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 437 | A | 30 | Very low | 30.3 | Very low | 92 Ų | 92 | 131.9 Ų | 131.9 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | | | trans | 60.8 | 176.1 | 145.3 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 438 | T | 28.5 | Very low | 30.3 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | cis | -171.6 | 167 | -49.4 | -68.2 | 0 | 0 | 0 | 0 | 106.4 | | |
| 439 | C | 27.7 | Very low | 29.9 | Very low | 103 Ų | 103 | 131.2 Ų | 131.2 | 70% | 0.696 | 76% | 0.757 | S | S | * | * | | | trans | 77.3 | 136.4 | 174.8 | -65.3 | 0 | 0 | 0 | 0 | 115.9 | | |
| 440 | L | 27.8 | Very low | 29.1 | Very low | 160 Ų | 160 | 134.9 Ų | 134.9 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | | | cis | 75.7 | 134.6 | 48 | -64.1 | 166.9 | 0 | 0 | 0 | 112.5 | | |
| 441 | S | 28.9 | Very low | 29.1 | Very low | 88 Ų | 88 | 134.7 Ų | 134.7 | 62% | 0.615 | 76% | 0.763 | S | S | * | * | | | cis | -166.6 | 174.9 | -3.5 | 56.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 442 | N | 29.9 | Very low | 28.9 | Very low | 129 Ų | 129 | 137.1 Ų | 137.1 | 69% | 0.69 | 77% | 0.766 | S | S | * | * | | | trans | 61.3 | 114 | 144.8 | -67.4 | -4.5 | 0 | 0 | 0 | 124.2 | | |
| 443 | N | 29 | Very low | 29 | Very low | 145 Ų | 145 | 141.5 Ų | 141.5 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | | | | 77.4 | 127.9 | 116.1 | -60.9 | -16 | 0 | 0 | 0 | 125 | | |
| 444 | R | 25.9 | Very low | 29.1 | Very low | 214 Ų | 214 | 146.2 Ų | 146.2 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | | | | 88.7 | 94.3 | 128 | -164.5 | 173.6 | -171.7 | 162 | 3.8 | 122.4 | | |
| 445 | S | 27.3 | Very low | 29.3 | Very low | 99 Ų | 99 | 148.9 Ų | 148.9 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | | | | 64.4 | 150.3 | 116.3 | -48.2 | 0 | 0 | 0 | 0 | 125.6 | | |
| 446 | E | 28.8 | Very low | 29.3 | Very low | 151 Ų | 151 | 149.2 Ų | 149.2 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | | | trans | 78.3 | 111.5 | 144.5 | -76.5 | 158.1 | 128.4 | 0 | 0 | 122.3 | | |
| 447 | T | 27.7 | Very low | 28.8 | Very low | 130 Ų | 130 | 151.1 Ų | 151.1 | 80% | 0.798 | 76% | 0.764 | S | S | * | * | | | | -176.6 | 124.8 | 116.6 | 22.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 448 | M | 28.3 | Very low | 28.9 | Very low | 150 Ų | 150 | 152 Ų | 152 | 74% | 0.739 | 76% | 0.76 | S | S | * | * | | | | 67.7 | 131.4 | 96.1 | -66.2 | -74 | 154.5 | 0 | 0 | 114.7 | | |
| 449 | R | 29.7 | Very low | 29.2 | Very low | 219 Ų | 219 | 152.1 Ų | 152.1 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | | | cis | -160 | 162.8 | 0.5 | -88.6 | 163.5 | -164.6 | -177.1 | 4.5 | 109.3 | | |
| 450 | E | 26.3 | Very low | 29.3 | Very low | 196 Ų | 196 | 157.8 Ų | 157.8 | 92% | 0.916 | 77% | 0.772 | S | S | * | * | | | | -174.1 | 173.4 | 118.5 | -165.1 | 139.8 | -135.4 | 0 | 0 | 110.3 | | |
| 451 | I | 30.8 | Very low | 29.8 | Very low | 138 Ų | 138 | 155.8 Ų | 155.8 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | | | trans | -131.3 | 142.5 | -157.7 | -64.8 | 162.2 | 0 | 0 | 0 | 112.1 | | |
| 452 | K | 27.8 | Very low | 29.6 | Very low | 207 Ų | 207 | 160.5 Ų | 160.5 | 90% | 0.9 | 78% | 0.783 | S | S | * | * | | | trans | -168.6 | 154 | 139.2 | -106.7 | 160.6 | -172.9 | 178.2 | 0 | 112.5 | | |
| 453 | E | 31.6 | Very low | 29.5 | Very low | 179 Ų | 179 | 162 Ų | 162 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | | | trans | -116.6 | 149 | -172.7 | -59.4 | 166.1 | 120.3 | 0 | 0 | 111 | | |
| 454 | E | 30.6 | Very low | 29.4 | Very low | 198 Ų | 198 | 159.7 Ų | 159.7 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | | | | 176.3 | 173.4 | 129.6 | -99.2 | -171.1 | 137.3 | 0 | 0 | 110.2 | | |
| 455 | E | 32 | Very low | 29.6 | Very low | 160 Ų | 160 | 154.1 Ų | 154.1 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | trans | -111.3 | -157.7 | -175.5 | -47.6 | -178.3 | 80.7 | 0 | 0 | 112.2 | | |
| 456 | K | 30.9 | Very low | 29.8 | Very low | 142 Ų | 142 | 158.5 Ų | 158.5 | 62% | 0.617 | 79% | 0.787 | S | S | * | * | | | cis | -158.4 | 166.9 | 2.4 | -132.7 | 178.7 | 179.4 | 66.1 | 0 | 106.3 | | |
| 457 | E | 25.3 | Very low | 30 | Very low | 150 Ų | 150 | 156.7 Ų | 156.7 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | | | cis | -146.3 | -126.7 | -1.8 | -162.6 | 174.7 | 94.2 | 0 | 0 | 108.3 | | |
| 458 | T | 32.3 | Very low | 30.1 | Very low | 110 Ų | 110 | 155.5 Ų | 155.5 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | | | trans | -138.1 | 159.9 | 164.7 | 63.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 459 | P | 35.5 | Very low | 30.3 | Very low | 127 Ų | 127 | 153.5 Ų | 153.5 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | | -146 | 153.5 | 109.7 | 35.6 | -20.2 | 0 | 0 | 0 | 115.5 | | |
| 460 | Y | 28.3 | Very low | 30.2 | Very low | 221 Ų | 221 | 150 Ų | 150 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | | | trans | -76.8 | 154.4 | 165.4 | -88.6 | -85.9 | 0 | 0 | 0 | 111 | | |
| 461 | P | 38.5 | Very low | 30.5 | Very low | 118 Ų | 118 | 146.5 Ų | 146.5 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | | | | -153.2 | 169.1 | 93.4 | 41.2 | -23.6 | 0 | 0 | 0 | 118.2 | | |
| 462 | M | 24.5 | Very low | 30.8 | Very low | 188 Ų | 188 | 151.4 Ų | 151.4 | 93% | 0.926 | 78% | 0.782 | S | S | * | * | | | trans | 88.9 | 142.7 | 145.8 | -137.3 | 166.8 | -164 | 0 | 0 | 120.5 | | |
| 463 | I | 28.6 | Very low | 31.3 | Very low | 160 Ų | 160 | 149.6 Ų | 149.6 | 82% | 0.821 | 78% | 0.781 | S | S | * | * | | | trans | -103.6 | 140.8 | -171.7 | -63.1 | 161.7 | 0 | 0 | 0 | 109.6 | | |
| 464 | S | 25.9 | Very low | 31.6 | Very low | 96 Ų | 96 | 148.4 Ų | 148.4 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | | | trans | -141.3 | 126 | 156.2 | -169.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 465 | A | 31.1 | Very low | 32.5 | Very low | 97 Ų | 97 | 148 Ų | 148 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | | | trans | -111.9 | 115.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 466 | Y | 32.3 | Very low | 32.7 | Very low | 191 Ų | 191 | 144.1 Ų | 144.1 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | | | trans | -139.5 | 126.2 | 169.4 | 39.6 | -92.9 | 0 | 0 | 0 | 111.1 | | |
| 467 | S | 32.9 | Very low | 33.6 | Very low | 113 Ų | 113 | 145.3 Ų | 145.3 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | | | trans | -83.7 | 131.4 | -176.3 | 73.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 468 | V | 29.3 | Very low | 34.1 | Very low | 105 Ų | 105 | 145.9 Ų | 145.9 | 64% | 0.636 | 80% | 0.797 | S | S | * | * | | | trans | -119.6 | 86.2 | 168.8 | -174.6 | 0 | 0 | 0 | 0 | 109.8 | N470 | V468-N470 PolarHBondContact O-N 2.94Š|
| 469 | C | 31.5 | Very low | 34.8 | Very low | 108 Ų | 108 | 149.9 Ų | 149.9 | 73% | 0.73 | 81% | 0.805 | S | S | * | * | | | trans | -74.7 | 89.6 | 170.9 | -78 | 0 | 0 | 0 | 0 | 110.5 | T471 | C469-T471 VanDerWaalsContact C-N 3.28Å; C469-T471 PolarHBondContact O-N 3.4Å |
| 470 | N | 27.7 | Very low | 35.5 | Very low | 147 Ų | 147 | 153 Ų | 153 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | | | trans | -69.9 | 74.7 | 175.7 | -88.6 | -40.9 | 0 | 0 | 0 | 112.8 | V468 R472 | V468-N470 PolarHBondContact O-N 2.94Å; N470-R472 PolarHBondContact O-N 2.86Å |
| 471 | T | 33.4 | Very low | 35.9 | Very low | 122 Ų | 122 | 152 Ų | 152 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | | | trans | -85.4 | 101.8 | 172 | 49.2 | 0 | 0 | 0 | 0 | 111.2 | C469 L473 | C469-T471 VanDerWaalsContact C-N 3.28Å; C469-T471 PolarHBondContact O-N 3.4Å; T471-L473 PolarHBondContact O-N 2.89Å; T471-L473 VanDerWaalsContact O-N 3.07Å |
| 472 | R | 37.8 | Very low | 35.7 | Very low | 241 Ų | 241 | 152 Ų | 152 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | | | trans | -65.4 | 106 | 178.2 | -69.6 | 178.6 | 173.9 | 173.2 | -2.1 | 111.3 | N470 L474 | N470-R472 PolarHBondContact O-N 2.86Å; R472-L474 PolarHBondContact O-N 3.12Å |
| 473 | L | 36.3 | Very low | 36.6 | Very low | 168 Ų | 168 | 151.9 Ų | 151.9 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | | | trans | -68 | 116.7 | 174.8 | -77.1 | 166.4 | 0 | 0 | 0 | 111.9 | T471 | T471-L473 PolarHBondContact O-N 2.89Å; T471-L473 VanDerWaalsContact O-N 3.07Å |
| 474 | L | 38.4 | Very low | 36.8 | Very low | 154 Ų | 154 | 155.6 Ų | 155.6 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | | | trans | -106.1 | 88 | 172.2 | -88.9 | 169.5 | 0 | 0 | 0 | 112.6 | R472 | R472-L474 PolarHBondContact O-N 3.12Š|
| 475 | K | 49 | Very low | 37.1 | Very low | 190 Ų | 190 | 156.3 Ų | 156.3 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | | | trans | 44 | 83.1 | 139.5 | -64.5 | 171.1 | 179.6 | 171.7 | 0 | 117.5 | | |
| 476 | G | 37.5 | Very low | 37.2 | Very low | 79 Ų | 79 | 156.8 Ų | 156.8 | 81% | 0.814 | 81% | 0.81 | S | S | * | * | | | trans | -93.1 | 124.2 | 156.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L478 | G476-L478 PolarHBondContact O-N 3.04Š|
| 477 | I | 50.4 | Low | 37.5 | Very low | 167 Ų | 167 | 156.1 Ų | 156.1 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | | | trans | -75 | 118.6 | -168.7 | -58.9 | 162.3 | 0 | 0 | 0 | 112.3 | | |
| 478 | L | 35.8 | Very low | 37.3 | Very low | 162 Ų | 162 | 159.2 Ų | 159.2 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | | | trans | -141.1 | 103 | 153.6 | -174.5 | 58.3 | 0 | 0 | 0 | 111.5 | G476 | G476-L478 PolarHBondContact O-N 3.04Š|
| 479 | K | 47.2 | Very low | 37.9 | Very low | 194 Ų | 194 | 161.8 Ų | 161.8 | 84% | 0.843 | 83% | 0.826 | S | S | * | * | | | trans | -100.2 | 87.1 | -175.1 | -173.7 | 179 | 178.8 | 179.5 | 0 | 111.2 | | |
| 480 | K | 48.8 | Very low | 37.9 | Very low | 192 Ų | 192 | 160.9 Ų | 160.9 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | | | trans | -127.6 | 130 | 160.3 | -76.6 | -164.8 | 175.1 | -174 | 0 | 110.1 | S482 | K480-S482 PolarHBondContact O-N 3.33Š|
| 481 | K | 37.8 | Very low | 38.8 | Very low | 200 Ų | 200 | 161 Ų | 161 | 87% | 0.87 | 82% | 0.819 | S | S | * | * | | | trans | -80.2 | 105.2 | 175.4 | -65.7 | -175.6 | 177.7 | -174.4 | 0 | 108.6 | | |
| 482 | S | 34.1 | Very low | 39.2 | Very low | 118 Ų | 118 | 163.7 Ų | 163.7 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | | | trans | -76 | 121.3 | 158 | -166.6 | 0 | 0 | 0 | 0 | 107.8 | K480 | K480-S482 PolarHBondContact O-N 3.33Š|
| 483 | K | 42.8 | Very low | 39.1 | Very low | 186 Ų | 186 | 158.9 Ų | 158.9 | 81% | 0.809 | 81% | 0.809 | S | S | * | * | | | trans | -101 | 109.8 | 162.2 | -77.5 | -172.4 | 175.7 | -171 | 0 | 106.5 | | |
| 484 | Y | 33.1 | Very low | 39.6 | Very low | 237 Ų | 237 | 155.3 Ų | 155.3 | 93% | 0.929 | 80% | 0.798 | S | S | * | * | | | trans | -173.7 | 143.8 | 143 | -94.2 | -62.6 | 0 | 0 | 0 | 107.7 | | |
| 485 | S | 31.3 | Very low | 39.9 | Very low | 111 Ų | 111 | 150.1 Ų | 150.1 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | trans | -111 | 126.4 | -178.8 | 47.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 486 | S | 33.1 | Very low | 39.6 | Very low | 107 Ų | 107 | 149.4 Ų | 149.4 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | trans | -155.9 | 122.1 | 150.8 | -147.1 | 0 | 0 | 0 | 0 | 103 | | |
| 487 | E | 38.4 | Very low | 40.2 | Very low | 177 Ų | 177 | 151 Ų | 151 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | | | | 52.7 | 75.5 | 56.2 | -57.9 | -179.3 | 179.1 | 0 | 0 | 110.2 | | |
| 488 | E | 29.9 | Very low | 40.4 | Very low | 179 Ų | 179 | 148.3 Ų | 148.3 | 84% | 0.836 | 75% | 0.749 | S | S | * | * | | | | -159.6 | 143.5 | 108.2 | -168.9 | 159 | -145.2 | 0 | 0 | 109.8 | | |
| 489 | L | 41 | Very low | 41.2 | Very low | 159 Ų | 159 | 146.5 Ų | 146.5 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | | | trans | -105.6 | 95.9 | -177.5 | -169.8 | 86.7 | 0 | 0 | 0 | 110.5 | | |
| 490 | C | 33.2 | Very low | 42.2 | Very low | 88 Ų | 88 | 140.2 Ų | 140.2 | 60% | 0.595 | 72% | 0.721 | S | S | * | * | | | trans | -102.2 | 115.4 | 173.2 | -66.8 | 0 | 0 | 0 | 0 | 112.1 | Y492 | C490-Y492 HydrophobicContact CB-CD2 4.37Å; C490-Y492 HydrophobicContact CB-CE2 4.32Å |
| 491 | L | 46.4 | Very low | 43.1 | Very low | 150 Ų | 150 | 137.9 Ų | 137.9 | 79% | 0.785 | 71% | 0.71 | S | S | * | * | | | trans | -56.4 | 142.3 | 160.8 | -80.2 | 61.4 | 0 | 0 | 0 | 109.3 | | |
| 492 | Y | 41 | Very low | 44.6 | Very low | 179 Ų | 179 | 134.3 Ų | 134.3 | 70% | 0.702 | 70% | 0.697 | S | S | * | * | | | trans | -139.5 | 126.6 | 168.9 | -102.5 | -70 | 0 | 0 | 0 | 112.2 | C490 | C490-Y492 HydrophobicContact CB-CD2 4.37Å; C490-Y492 HydrophobicContact CB-CE2 4.32Å |
| 493 | D | 35.5 | Very low | 46.5 | Very low | 140 Ų | 140 | 132.1 Ų | 132.1 | 75% | 0.749 | 68% | 0.678 | S | S | * | * | | | trans | -70.3 | 155.8 | -166.6 | -89.4 | -61.9 | 0 | 0 | 0 | 116.8 | G495 R496 | D493-G495 PolarHBondContact O-N 3.01Å; D493-R496 PolarHBondContact O-N 3.3Å |
| 494 | S | 46.9 | Very low | 48.1 | Very low | 93 Ų | 93 | 125.8 Ų | 125.8 | 65% | 0.65 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | -22 | 174.7 | -157.6 | 0 | 0 | 0 | 0 | 113.6 | R496 L497 | S494-R496 VanDerWaalsContact C-N 3.29Å; S494-R496 PolarHBondContact O-N 3.4Å; S494-L497 PolarHBondContact O-N 2.96Å |
| 495 | G | 43.9 | Very low | 50 | Low | 45 Ų | 45 | 117.9 Ų | 117.9 | 46% | 0.464 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -57.6 | -30.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | D493 L497 I498 L499 | D493-G495 PolarHBondContact O-N 3.01Å; G495-L497 PolarHBondContact O-N 3.24Å; G495-I498 PolarHBondContact O-N 3.45Å; G495-I498 VanDerWaalsContact O-N 3.1Å; G495-L499 PolarHBondContact O-N 2.7Å |
| 496 | R | 43.8 | Very low | 52 | Low | 175 Ų | 175 | 115.2 Ų | 115.2 | 66% | 0.66 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -61.6 | -27.1 | 178.1 | -87.3 | -173.1 | 178.4 | -97 | 3.8 | 113.2 | D493 S494 S500 | D493-R496 PolarHBondContact O-N 3.3Å; S494-R496 VanDerWaalsContact C-N 3.29Å; S494-R496 PolarHBondContact O-N 3.4Å; R496-S500 PolarHBondContact O-N 2.95Å |
| 497 | L | 50.2 | Low | 54.3 | Low | 111 Ų | 111 | 114.6 Ų | 114.6 | 58% | 0.581 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -75.4 | -25.6 | 177.9 | -66.5 | 176.7 | 0 | 0 | 0 | 113.2 | S494 G495 S500 K501 | S494-L497 PolarHBondContact O-N 2.96Å; G495-L497 PolarHBondContact O-N 3.24Å; L497-S500 WeakPolarHBondContact CA-OG 3.46Å; L497-S500 PolarHBondContact O-OG 3.2Å; L497-S500 VanDerWaalsContact O-OG 3.08Å; L497-K501 WeakPolarHBondContact O-CG 3.43Å; L497-K501 PolarHBondContact O-N 3.45Å |
| 498 | I | 54.6 | Low | 56.7 | Low | 111 Ų | 111 | 112.2 Ų | 112.2 | 57% | 0.569 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -73.4 | -47.5 | 174.9 | -57.9 | 176.3 | 0 | 0 | 0 | 108.8 | G495 S500 K501 Q502 | G495-I498 PolarHBondContact O-N 3.45Å; G495-I498 VanDerWaalsContact O-N 3.1Å; I498-S500 VanDerWaalsContact C-N 3.3Å; I498-S500 PolarHBondContact O-N 3.48Å; I498-K501 PolarHBondContact O-N 2.96Å; I498-K501 VanDerWaalsContact O-N 3.16Å; I498-Q502 PolarHBondContact O-N 3.42Å |
| 499 | L | 51.5 | Low | 59 | Low | 125 Ų | 125 | 108.2 Ų | 108.2 | 65% | 0.654 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -58.5 | -42.1 | 175.6 | -155.9 | 84.5 | 0 | 0 | 0 | 111.7 | G495 K501 Q502 V503 | G495-L499 PolarHBondContact O-N 2.7Å; L499-K501 VanDerWaalsContact C-N 3.35Å; L499-K501 PolarHBondContact O-N 2.93Å; L499-Q502 PolarHBondContact O-N 2.78Å; L499-V503 WeakPolarHBondContact O-CB 3.49Å; L499-V503 VanDerWaalsContact O-CG2 3.3Å; L499-V503 WeakPolarHBondContact O-CG2 3.26Å; L499-V503 PolarHBondContact O-N 3.14Å |
| 500 | S | 68 | Low | 60.8 | Low | 62 Ų | 62 | 103.9 Ų | 103.9 | 43% | 0.434 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.2 | -33.4 | 178.3 | 75.7 | 0 | 0 | 0 | 0 | 113.3 | R496 L497 I498 A504 | R496-S500 PolarHBondContact O-N 2.95Å; L497-S500 WeakPolarHBondContact CA-OG 3.46Å; L497-S500 PolarHBondContact O-OG 3.2Å; L497-S500 VanDerWaalsContact O-OG 3.08Å; I498-S500 VanDerWaalsContact C-N 3.3Å; I498-S500 PolarHBondContact O-N 3.48Å; S500-A504 WeakPolarHBondContact O-CB 3.31Å; S500-A504 PolarHBondContact O-N 3.48Å |
| 501 | K | 68.8 | Low | 63.2 | Low | 142 Ų | 142 | 104 Ų | 104 | 62% | 0.617 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.8 | -46.3 | 171.3 | -74.7 | 171.9 | -177.9 | 176.4 | 0 | 111.6 | L497 I498 L499 V503 A504 L505 | L497-K501 WeakPolarHBondContact O-CG 3.43Å; L497-K501 PolarHBondContact O-N 3.45Å; I498-K501 PolarHBondContact O-N 2.96Å; I498-K501 VanDerWaalsContact O-N 3.16Å; L499-K501 VanDerWaalsContact C-N 3.35Å; L499-K501 PolarHBondContact O-N 2.93Å; K501-V503 VanDerWaalsContact C-N 3.32Å; K501-V503 PolarHBondContact O-N 3.25Å; K501-A504 PolarHBondContact O-N 2.93Å; K501-L505 WeakPolarHBondContact O-CG 3.47Å; K501-L505 PolarHBondContact O-N 2.9Å |
| 502 | Q | 69.4 | Low | 64.7 | Low | 125 Ų | 125 | 102.2 Ų | 102.2 | 58% | 0.584 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -58.8 | -45.5 | 177.9 | -143.9 | 76.5 | 2.9 | 0 | 0 | 111 | I498 L499 L505 A506 | I498-Q502 PolarHBondContact O-N 3.42Å; L499-Q502 PolarHBondContact O-N 2.78Å; Q502-L505 PolarHBondContact O-N 2.8Å; Q502-A506 WeakPolarHBondContact O-CB 3.45Å; Q502-A506 PolarHBondContact O-N 2.97Å |
| 503 | V | 73.2 | Confident | 66.3 | Low | 73 Ų | 73 | 98.3 Ų | 98.3 | 44% | 0.442 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.7 | -40.9 | 177.1 | 170.5 | 0 | 0 | 0 | 0 | 111.7 | L499 K501 L505 A506 I507 | L499-V503 WeakPolarHBondContact O-CB 3.49Å; L499-V503 VanDerWaalsContact O-CG2 3.3Å; L499-V503 WeakPolarHBondContact O-CG2 3.26Å; L499-V503 PolarHBondContact O-N 3.14Å; K501-V503 VanDerWaalsContact C-N 3.32Å; K501-V503 PolarHBondContact O-N 3.25Å; V503-L505 VanDerWaalsContact C-N 3.3Å; V503-L505 PolarHBondContact O-N 2.83Å; V503-A506 PolarHBondContact O-N 2.93Å; V503-I507 HydrophobicContact CG1-CD1 3.63Å; V503-I507 HydrophobicContact CG1-CG1 4.27Å; V503-I507 WeakPolarHBondContact O-CB 3.45Å; V503-I507 VanDerWaalsContact O-CG1 3.22Å; V503-I507 WeakPolarHBondContact O-CG1 3.48Å; V503-I507 PolarHBondContact O-N 3.43Å |
| 504 | A | 76.2 | Confident | 68 | Low | 53 Ų | 53 | 95.6 Ų | 95.6 | 44% | 0.438 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.1 | -27.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S500 K501 R508 | S500-A504 WeakPolarHBondContact O-CB 3.31Å; S500-A504 PolarHBondContact O-N 3.48Å; K501-A504 PolarHBondContact O-N 2.93Å; A504-R508 WeakPolarHBondContact O-CB 3.46Å; A504-R508 PolarHBondContact O-N 3.45Å |
| 505 | L | 74.7 | Confident | 69.1 | Low | 71 Ų | 71 | 98.2 Ų | 98.2 | 37% | 0.372 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -71.7 | -54 | 168.8 | -70 | 169.3 | 0 | 0 | 0 | 110.3 | K501 Q502 V503 I507 R508 D509 | K501-L505 WeakPolarHBondContact O-CG 3.47Å; K501-L505 PolarHBondContact O-N 2.9Å; Q502-L505 PolarHBondContact O-N 2.8Å; V503-L505 VanDerWaalsContact C-N 3.3Å; V503-L505 PolarHBondContact O-N 2.83Å; L505-I507 VanDerWaalsContact C-N 3.26Å; L505-I507 PolarHBondContact O-N 3.37Å; L505-R508 CarbonylContact O-C 3.58Å; L505-R508 WeakPolarHBondContact O-CA 3.4Å; L505-R508 WeakPolarHBondContact O-CB 3.49Å; L505-R508 PolarHBondContact O-N 2.93Å; L505-D509 PolarHBondContact O-N 3.2Å |
| 506 | A | 72.3 | Confident | 70.3 | Confident | 54 Ų | 54 | 97.8 Ų | 97.8 | 45% | 0.446 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -56.9 | -36.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q502 V503 S510 | Q502-A506 WeakPolarHBondContact O-CB 3.45Å; Q502-A506 PolarHBondContact O-N 2.97Å; V503-A506 PolarHBondContact O-N 2.93Å; A506-S510 WeakPolarHBondContact O-CB 3.34Å; A506-S510 PolarHBondContact O-N 2.69Å; A506-S510 PolarHBondContact O-OG 3.24Å |
| 507 | I | 82.2 | Confident | 71.4 | Confident | 94 Ų | 94 | 95.7 Ų | 95.7 | 48% | 0.482 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.5 | -44 | 172.7 | -72 | 169 | 0 | 0 | 0 | 111.2 | V503 L505 S510 I511 | V503-I507 HydrophobicContact CG1-CD1 3.63Å; V503-I507 HydrophobicContact CG1-CG1 4.27Å; V503-I507 WeakPolarHBondContact O-CB 3.45Å; V503-I507 VanDerWaalsContact O-CG1 3.22Å; V503-I507 WeakPolarHBondContact O-CG1 3.48Å; V503-I507 PolarHBondContact O-N 3.43Å; L505-I507 VanDerWaalsContact C-N 3.26Å; L505-I507 PolarHBondContact O-N 3.37Å; I507-S510 PolarHBondContact O-N 2.67Å; I507-I511 HydrophobicContact CG2-CD1 3.74Å; I507-I511 WeakPolarHBondContact O-CB 3.3Å; I507-I511 VanDerWaalsContact O-CG1 3.23Å; I507-I511 WeakPolarHBondContact O-CG1 3.43Å; I507-I511 PolarHBondContact O-N 2.88Å |
| 508 | R | 89 | Confident | 72 | Confident | 128 Ų | 128 | 94 Ų | 94 | 48% | 0.483 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.8 | -49.2 | 175.9 | -174.4 | -169.3 | -52.6 | 145.2 | 11.5 | 110.7 | A504 L505 S510 I511 E512 | A504-R508 WeakPolarHBondContact O-CB 3.46Å; A504-R508 PolarHBondContact O-N 3.45Å; L505-R508 CarbonylContact O-C 3.58Å; L505-R508 WeakPolarHBondContact O-CA 3.4Å; L505-R508 WeakPolarHBondContact O-CB 3.49Å; L505-R508 PolarHBondContact O-N 2.93Å; R508-S510 VanDerWaalsContact C-N 3.32Å; R508-S510 PolarHBondContact O-N 3.19Å; R508-I511 CarbonylContact O-C 3.59Å; R508-I511 PolarHBondContact O-N 3.47Å; R508-I511 VanDerWaalsContact O-N 3.14Å; R508-E512 HydrophobicContact CG-CG 4.46Å; R508-E512 WeakPolarHBondContact CG-OE1 3.49Å; R508-E512 WeakPolarHBondContact O-CB 3.17Å; R508-E512 WeakPolarHBondContact O-CG 3.45Å; R508-E512 PolarHBondContact O-N 3.34Å |
| 509 | D | 77.1 | Confident | 72.7 | Confident | 94 Ų | 94 | 94.5 Ų | 94.5 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.1 | -36.2 | -176.2 | -58 | -15.3 | 0 | 0 | 0 | 110.5 | L505 E512 L513 | L505-D509 PolarHBondContact O-N 3.2Å; D509-E512 PolarHBondContact O-N 3.34Å; D509-L513 WeakPolarHBondContact O-CB 3.3Å; D509-L513 PolarHBondContact O-N 2.95Å |
| 510 | S | 79.1 | Confident | 72.8 | Confident | 68 Ų | 68 | 92.8 Ų | 92.8 | 48% | 0.476 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.9 | -40.4 | 171.7 | -61.7 | 0 | 0 | 0 | 0 | 112.7 | A506 I507 R508 T514 | A506-S510 WeakPolarHBondContact O-CB 3.34Å; A506-S510 PolarHBondContact O-N 2.69Å; A506-S510 PolarHBondContact O-OG 3.24Å; I507-S510 PolarHBondContact O-N 2.67Å; R508-S510 VanDerWaalsContact C-N 3.32Å; R508-S510 PolarHBondContact O-N 3.19Å; S510-T514 WeakPolarHBondContact O-CB 3.22Å; S510-T514 PolarHBondContact O-N 3.46Å; S510-T514 PolarHBondContact O-OG1 3.34Å |
| 511 | I | 83.8 | Confident | 72.4 | Confident | 92 Ų | 92 | 94.4 Ų | 94.4 | 47% | 0.472 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68 | -40.4 | 174.8 | -71.6 | 167.3 | 0 | 0 | 0 | 110.6 | I507 R508 T514 R515 | I507-I511 HydrophobicContact CG2-CD1 3.74Å; I507-I511 WeakPolarHBondContact O-CB 3.3Å; I507-I511 VanDerWaalsContact O-CG1 3.23Å; I507-I511 WeakPolarHBondContact O-CG1 3.43Å; I507-I511 PolarHBondContact O-N 2.88Å; R508-I511 CarbonylContact O-C 3.59Å; R508-I511 PolarHBondContact O-N 3.47Å; R508-I511 VanDerWaalsContact O-N 3.14Å; I511-T514 PolarHBondContact O-N 2.91Å; I511-R515 HydrophobicContact CG2-CG 4.45Å; I511-R515 WeakPolarHBondContact O-CB 3.34Å; I511-R515 WeakPolarHBondContact O-CG 3.19Å; I511-R515 PolarHBondContact O-N 2.67Å |
| 512 | E | 77.4 | Confident | 71.6 | Confident | 111 Ų | 111 | 92.2 Ų | 92.2 | 52% | 0.519 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -71 | -37 | 178.1 | -71.6 | -170.3 | -149.8 | 0 | 0 | 112 | R508 D509 R515 A516 | R508-E512 HydrophobicContact CG-CG 4.46Å; R508-E512 WeakPolarHBondContact CG-OE1 3.49Å; R508-E512 WeakPolarHBondContact O-CB 3.17Å; R508-E512 WeakPolarHBondContact O-CG 3.45Å; R508-E512 PolarHBondContact O-N 3.34Å; D509-E512 PolarHBondContact O-N 3.34Å; E512-R515 CarbonylContact O-C 3.58Å; E512-R515 PolarHBondContact O-N 3Å; E512-A516 PolarHBondContact O-N 2.95Å |
| 513 | L | 75.1 | Confident | 70.8 | Confident | 98 Ų | 98 | 90.9 Ų | 90.9 | 51% | 0.513 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.7 | -40 | 170.5 | -177.4 | 63.2 | 0 | 0 | 0 | 111.9 | D509 R515 A516 K517 | D509-L513 WeakPolarHBondContact O-CB 3.3Å; D509-L513 PolarHBondContact O-N 2.95Å; L513-R515 VanDerWaalsContact C-N 3.35Å; L513-A516 WeakPolarHBondContact O-CB 3.47Å; L513-A516 PolarHBondContact O-N 3.49Å; L513-K517 WeakPolarHBondContact O-CG 3.43Å; L513-K517 PolarHBondContact O-N 2.9Å |
| 514 | T | 69.9 | Low | 69.7 | Low | 83 Ų | 83 | 93.1 Ų | 93.1 | 51% | 0.509 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 172.8 | -56.8 | 0 | 0 | 0 | 0 | 110.6 | S510 I511 A516 K517 T518 | S510-T514 WeakPolarHBondContact O-CB 3.22Å; S510-T514 PolarHBondContact O-N 3.46Å; S510-T514 PolarHBondContact O-OG1 3.34Å; I511-T514 PolarHBondContact O-N 2.91Å; T514-A516 VanDerWaalsContact C-N 3.25Å; T514-A516 PolarHBondContact O-N 3.44Å; T514-K517 PolarHBondContact O-N 2.98Å; T514-T518 WeakPolarHBondContact O-CG2 3.49Å; T514-T518 PolarHBondContact O-N 3.11Å; T514-T518 PolarHBondContact O-OG1 3.17Å; T514-T518 VanDerWaalsContact O-OG1 3.07Å |
| 515 | R | 71.6 | Confident | 68.3 | Low | 148 Ų | 148 | 93.5 Ų | 93.5 | 56% | 0.558 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -75.2 | -6.3 | 175 | -68.1 | 173.8 | 78.5 | -144.7 | 7 | 114.1 | I511 E512 L513 T518 K519 | I511-R515 HydrophobicContact CG2-CG 4.45Å; I511-R515 WeakPolarHBondContact O-CB 3.34Å; I511-R515 WeakPolarHBondContact O-CG 3.19Å; I511-R515 PolarHBondContact O-N 2.67Å; E512-R515 CarbonylContact O-C 3.58Å; E512-R515 PolarHBondContact O-N 3Å; L513-R515 VanDerWaalsContact C-N 3.35Å; R515-T518 WeakPolarHBondContact CA-OG1 3.47Å; R515-K519 WeakPolarHBondContact O-CD 3.42Å; R515-K519 WeakPolarHBondContact O-CE 3.36Å; R515-K519 VanDerWaalsContact O-CG 3.31Å; R515-K519 WeakPolarHBondContact O-CG 3.35Å; R515-K519 PolarHBondContact O-NZ 3.3Å |
| 516 | A | 67.6 | Low | 67 | Low | 35 Ų | 35 | 100.8 Ų | 100.8 | 29% | 0.289 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -86.4 | -59.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | E512 L513 T514 T518 K519 D520 | E512-A516 PolarHBondContact O-N 2.95Å; L513-A516 WeakPolarHBondContact O-CB 3.47Å; L513-A516 PolarHBondContact O-N 3.49Å; T514-A516 VanDerWaalsContact C-N 3.25Å; T514-A516 PolarHBondContact O-N 3.44Å; A516-T518 VanDerWaalsContact C-N 3.26Å; A516-T518 PolarHBondContact O-N 3.04Å; A516-T518 VanDerWaalsContact O-N 3.1Å; A516-K519 WeakPolarHBondContact O-CA 3.4Å; A516-K519 WeakPolarHBondContact O-CB 3.43Å; A516-K519 PolarHBondContact O-N 2.81Å; A516-D520 VanDerWaalsContact C-OD2 3.28Å; A516-D520 VanDerWaalsContact O-CG 3.29Å; A516-D520 PolarHBondContact O-N 2.73Å; A516-D520 VanDerWaalsContact O-OD2 3.13Å |
| 517 | K | 67.6 | Low | 65.9 | Low | 131 Ų | 131 | 103.1 Ų | 103.1 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -49.7 | -41.8 | 178.1 | -71.9 | -179.8 | 176.4 | -176.4 | 0 | 113.3 | L513 T514 K519 D520 V521 | L513-K517 WeakPolarHBondContact O-CG 3.43Å; L513-K517 PolarHBondContact O-N 2.9Å; T514-K517 PolarHBondContact O-N 2.98Å; K517-K519 VanDerWaalsContact C-N 3.34Å; K517-K519 PolarHBondContact O-N 3.31Å; K517-D520 PolarHBondContact O-N 2.74Å; K517-V521 WeakPolarHBondContact O-CB 3.29Å; K517-V521 VanDerWaalsContact O-CG2 3.29Å; K517-V521 WeakPolarHBondContact O-CG2 3.42Å; K517-V521 PolarHBondContact O-N 3.09Å |
| 518 | T | 63.8 | Low | 64.4 | Low | 76 Ų | 76 | 107.5 Ų | 107.5 | 47% | 0.466 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68 | -29.5 | 176.3 | 55 | 0 | 0 | 0 | 0 | 113.6 | T514 R515 A516 V522 | T514-T518 WeakPolarHBondContact O-CG2 3.49Å; T514-T518 PolarHBondContact O-N 3.11Å; T514-T518 PolarHBondContact O-OG1 3.17Å; T514-T518 VanDerWaalsContact O-OG1 3.07Å; R515-T518 WeakPolarHBondContact CA-OG1 3.47Å; A516-T518 VanDerWaalsContact C-N 3.26Å; A516-T518 PolarHBondContact O-N 3.04Å; A516-T518 VanDerWaalsContact O-N 3.1Å; T518-V522 WeakPolarHBondContact O-CB 3.49Å; T518-V522 WeakPolarHBondContact O-CG2 3.37Å; T518-V522 PolarHBondContact O-N 3.36Å |
| 519 | K | 68.5 | Low | 63 | Low | 121 Ų | 121 | 110.1 Ų | 110.1 | 53% | 0.526 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -73.2 | -42.1 | 172.9 | -66.8 | 169.3 | -167.6 | 140.2 | 0 | 110.6 | R515 A516 K517 V521 V522 V523 | R515-K519 WeakPolarHBondContact O-CD 3.42Å; R515-K519 WeakPolarHBondContact O-CE 3.36Å; R515-K519 VanDerWaalsContact O-CG 3.31Å; R515-K519 WeakPolarHBondContact O-CG 3.35Å; R515-K519 PolarHBondContact O-NZ 3.3Å; A516-K519 WeakPolarHBondContact O-CA 3.4Å; A516-K519 WeakPolarHBondContact O-CB 3.43Å; A516-K519 PolarHBondContact O-N 2.81Å; K517-K519 VanDerWaalsContact C-N 3.34Å; K517-K519 PolarHBondContact O-N 3.31Å; K519-V521 VanDerWaalsContact C-N 3.32Å; K519-V521 PolarHBondContact O-N 3.36Å; K519-V522 CarbonylContact O-C 3.58Å; K519-V522 WeakPolarHBondContact O-CA 3.34Å; K519-V522 PolarHBondContact O-N 2.82Å; K519-V522 VanDerWaalsContact O-N 3.07Å; K519-V523 WeakPolarHBondContact O-CG2 3.46Å; K519-V523 PolarHBondContact O-N 3.22Å |
| 520 | D | 54.5 | Low | 61.5 | Low | 90 Ų | 90 | 115.7 Ų | 115.7 | 48% | 0.481 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.7 | -40.8 | 179.7 | -50.6 | -33.9 | 0 | 0 | 0 | 110.5 | A516 K517 V523 N524 | A516-D520 VanDerWaalsContact C-OD2 3.28Å; A516-D520 VanDerWaalsContact O-CG 3.29Å; A516-D520 PolarHBondContact O-N 2.73Å; A516-D520 VanDerWaalsContact O-OD2 3.13Å; K517-D520 PolarHBondContact O-N 2.74Å; D520-V523 PolarHBondContact O-N 3.42Å; D520-N524 WeakPolarHBondContact O-CB 3.22Å; D520-N524 PolarHBondContact O-N 3.43Å |
| 521 | V | 59.2 | Low | 59.7 | Low | 95 Ų | 95 | 120 Ų | 120 | 58% | 0.576 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.4 | -37.4 | 170.7 | 171 | 0 | 0 | 0 | 0 | 112.4 | K517 K519 S525 | K517-V521 WeakPolarHBondContact O-CB 3.29Å; K517-V521 VanDerWaalsContact O-CG2 3.29Å; K517-V521 WeakPolarHBondContact O-CG2 3.42Å; K517-V521 PolarHBondContact O-N 3.09Å; K519-V521 VanDerWaalsContact C-N 3.32Å; K519-V521 PolarHBondContact O-N 3.36Å; V521-S525 WeakPolarHBondContact O-CB 3.37Å; V521-S525 PolarHBondContact O-N 3.4Å; V521-S525 PolarHBondContact O-OG 3.19Å |
| 522 | V | 51.8 | Low | 58.1 | Low | 96 Ų | 96 | 126.5 Ų | 126.5 | 58% | 0.582 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -70.6 | -30.3 | 175.4 | 163.9 | 0 | 0 | 0 | 0 | 112.9 | T518 K519 S525 | T518-V522 WeakPolarHBondContact O-CB 3.49Å; T518-V522 WeakPolarHBondContact O-CG2 3.37Å; T518-V522 PolarHBondContact O-N 3.36Å; K519-V522 CarbonylContact O-C 3.58Å; K519-V522 WeakPolarHBondContact O-CA 3.34Å; K519-V522 PolarHBondContact O-N 2.82Å; K519-V522 VanDerWaalsContact O-N 3.07Å; V522-S525 WeakPolarHBondContact CA-OG 3.16Å; V522-S525 PolarHBondContact O-OG 3.13Å |
| 523 | V | 52.6 | Low | 56 | Low | 97 Ų | 97 | 132.4 Ų | 132.4 | 59% | 0.588 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -71.6 | -51.3 | 171.2 | 171.6 | 0 | 0 | 0 | 0 | 110 | K519 D520 S525 R526 | K519-V523 WeakPolarHBondContact O-CG2 3.46Å; K519-V523 PolarHBondContact O-N 3.22Å; D520-V523 PolarHBondContact O-N 3.42Å; V523-S525 VanDerWaalsContact C-N 3.34Å; V523-S525 PolarHBondContact O-N 2.91Å; V523-R526 WeakPolarHBondContact O-CB 3.25Å; V523-R526 PolarHBondContact O-N 2.89Å; V523-R526 VanDerWaalsContact O-N 3.15Å |
| 524 | N | 49.5 | Very low | 54.2 | Low | 121 Ų | 121 | 137.1 Ų | 137.1 | 65% | 0.647 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -66.3 | -31.5 | -177.7 | -73.1 | -7 | 0 | 0 | 0 | 113.4 | D520 R526 T527 | D520-N524 WeakPolarHBondContact O-CB 3.22Å; D520-N524 PolarHBondContact O-N 3.43Å; N524-R526 PolarHBondContact O-N 2.84Å; N524-T527 PolarHBondContact O-OG1 3.36Å |
| 525 | S | 48 | Very low | 52.5 | Low | 61 Ų | 61 | 140.3 Ų | 140.3 | 43% | 0.427 | 67% | 0.665 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.9 | -7.9 | 176.8 | 57.2 | 0 | 0 | 0 | 0 | 114.4 | V521 V522 V523 | V521-S525 WeakPolarHBondContact O-CB 3.37Å; V521-S525 PolarHBondContact O-N 3.4Å; V521-S525 PolarHBondContact O-OG 3.19Å; V522-S525 WeakPolarHBondContact CA-OG 3.16Å; V522-S525 PolarHBondContact O-OG 3.13Å; V523-S525 VanDerWaalsContact C-N 3.34Å; V523-S525 PolarHBondContact O-N 2.91Å |
| 526 | R | 46.1 | Very low | 50.8 | Low | 224 Ų | 224 | 142.3 Ų | 142.3 | 85% | 0.845 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -11.4 | 179.3 | -137.6 | 175.4 | -169.7 | -166.8 | 1.9 | 113.9 | V523 N524 | V523-R526 WeakPolarHBondContact O-CB 3.25Å; V523-R526 PolarHBondContact O-N 2.89Å; V523-R526 VanDerWaalsContact O-N 3.15Å; N524-R526 PolarHBondContact O-N 2.84Å |
| 527 | T | 50.5 | Low | 49.4 | Very low | 102 Ų | 102 | 146.4 Ų | 146.4 | 63% | 0.626 | 70% | 0.701 | S | S | * | * | | | trans | -103.4 | 43.9 | -177.6 | 51.7 | 0 | 0 | 0 | 0 | 113.1 | N524 K529 | N524-T527 PolarHBondContact O-OG1 3.36Å; T527-K529 PolarHBondContact O-N 2.91Å |
| 528 | K | 49.9 | Very low | 47.8 | Very low | 186 Ų | 186 | 148.2 Ų | 148.2 | 81% | 0.809 | 71% | 0.711 | S | S | * | * | | | trans | -65.1 | 74.6 | 176 | -67.2 | -172.5 | -179.5 | -175.3 | 0 | 113 | K530 | K528-K530 PolarHBondContact O-N 3.35Š|
| 529 | K | 58.5 | Low | 46.6 | Very low | 184 Ų | 184 | 150.1 Ų | 150.1 | 80% | 0.8 | 73% | 0.725 | S | S | * | * | | | trans | -63.8 | 123.9 | 160.7 | -65.8 | 175.4 | -176.3 | 170.2 | 0 | 107.5 | T527 L531 | T527-K529 PolarHBondContact O-N 2.91Å; K529-L531 PolarHBondContact O-N 3.07Å; K529-L531 VanDerWaalsContact O-N 3.1Å |
| 530 | K | 47.3 | Very low | 44.8 | Very low | 211 Ų | 211 | 153.1 Ų | 153.1 | 92% | 0.917 | 74% | 0.741 | S | S | * | * | | | trans | -66.2 | 109.3 | 171.8 | -66.5 | -174.5 | 177.9 | -174.7 | 0 | 108.2 | K528 R532 | K528-K530 PolarHBondContact O-N 3.35Å; K530-R532 PolarHBondContact O-N 3.03Å |
| 531 | L | 40.5 | Very low | 43.8 | Very low | 158 Ų | 158 | 158.3 Ų | 158.3 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | | | trans | -64.4 | 114.6 | 162.2 | -97 | 75 | 0 | 0 | 0 | 107 | K529 | K529-L531 PolarHBondContact O-N 3.07Å; K529-L531 VanDerWaalsContact O-N 3.1Å |
| 532 | R | 49.7 | Very low | 42.5 | Very low | 229 Ų | 229 | 162.8 Ų | 162.8 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 129.6 | 161.8 | -158.6 | 179.8 | -157.6 | -162.1 | 3.6 | 106.3 | K530 | K530-R532 PolarHBondContact O-N 3.03Š|
| 533 | W | 34.7 | Very low | 41.5 | Very low | 234 Ų | 234 | 163.6 Ų | 163.6 | 89% | 0.886 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 146.1 | 171.3 | -70.1 | 45.3 | 0 | 0 | 0 | 108.5 | | |
| 534 | F | 36.3 | Very low | 40.6 | Very low | 198 Ų | 198 | 167.2 Ų | 167.2 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 129.1 | 163 | -81.1 | -89 | 0 | 0 | 0 | 106.8 | E536 | F534-E536 PolarHBondContact O-N 3.25Š|
| 535 | D | 33.5 | Very low | 39.8 | Very low | 150 Ų | 150 | 169.3 Ų | 169.3 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 119.5 | 165.2 | -68.5 | -56 | 0 | 0 | 0 | 108.4 | V537 | D535-V537 VanDerWaalsContact C-N 3.32Å; D535-V537 HydrophobicContact CB-CG2 4.46Å; D535-V537 PolarHBondContact O-N 3.28Å; D535-V537 VanDerWaalsContact O-N 3.09Å |
| 536 | E | 36.6 | Very low | 38.9 | Very low | 189 Ų | 189 | 174.6 Ų | 174.6 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | | | trans | -84.9 | 78.2 | 177.7 | -169.1 | 157.4 | -143.1 | 0 | 0 | 109.5 | F534 H538 | F534-E536 PolarHBondContact O-N 3.25Å; E536-H538 PolarHBondContact O-N 2.94Å |
| 537 | V | 38.6 | Very low | 38.1 | Very low | 121 Ų | 121 | 169.7 Ų | 169.7 | 73% | 0.733 | 81% | 0.806 | S | S | * | * | | | trans | -68.8 | 123.6 | 175.3 | -174.1 | 0 | 0 | 0 | 0 | 109.2 | D535 P539 | D535-V537 VanDerWaalsContact C-N 3.32Å; D535-V537 HydrophobicContact CB-CG2 4.46Å; D535-V537 PolarHBondContact O-N 3.28Å; D535-V537 VanDerWaalsContact O-N 3.09Å; V537-P539 WeakPolarHBondContact O-CD 3.4Å |
| 538 | H | 33.2 | Very low | 37 | Very low | 169 Ų | 169 | 172.1 Ų | 172.1 | 78% | 0.782 | 82% | 0.821 | S | S | * | * | | | trans | -54.8 | 124.3 | 177.7 | -94.3 | -103.3 | 0 | 0 | 0 | 112.1 | E536 E540 | E536-H538 PolarHBondContact O-N 2.94Å; H538-E540 PolarHBondContact O-N 3.29Å |
| 539 | P | 39.1 | Very low | 35.9 | Very low | 116 Ų | 116 | 167.5 Ų | 167.5 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | | | trans | -83.6 | 91.7 | 166.4 | 32.5 | -31 | 0 | 0 | 0 | 109.8 | V537 | V537-P539 WeakPolarHBondContact O-CD 3.4Š|
| 540 | E | 30.1 | Very low | 34.6 | Very low | 185 Ų | 185 | 165.3 Ų | 165.3 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | | | trans | -64.5 | 152.5 | 161.7 | -67.2 | -158.3 | 140.2 | 0 | 0 | 110.7 | H538 | H538-E540 PolarHBondContact O-N 3.29Š|
| 541 | K | 35 | Very low | 33.7 | Very low | 198 Ų | 198 | 163.1 Ų | 163.1 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | | | trans | -105.2 | 101.3 | -168.7 | -62.8 | 171.4 | -174.2 | 166.1 | 0 | 110.8 | | |
| 542 | E | 30.8 | Very low | 33 | Very low | 190 Ų | 190 | 164.3 Ų | 164.3 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | | | trans | -87.5 | 110.2 | 161.4 | -71.5 | -159.2 | 147 | 0 | 0 | 110.8 | | |
| 543 | S | 31.8 | Very low | 31.9 | Very low | 112 Ų | 112 | 161.9 Ų | 161.9 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | | | trans | -114.6 | 121 | 162.5 | 54.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 544 | K | 32.4 | Very low | 31.6 | Very low | 173 Ų | 173 | 156.7 Ų | 156.7 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | | | trans | -80.9 | 136.5 | 179.1 | -70.4 | -162.4 | 172.2 | -162.3 | 0 | 112.3 | | |
| 545 | E | 33.1 | Very low | 31.1 | Very low | 166 Ų | 166 | 152.6 Ų | 152.6 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | | | trans | 52.2 | 110.4 | 146.9 | -63.4 | 165.3 | 121.1 | 0 | 0 | 117.9 | | |
| 546 | Q | 28.7 | Very low | 30.7 | Very low | 171 Ų | 171 | 150.9 Ų | 150.9 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | | | | -167.4 | 145.5 | 99.5 | -100.3 | -175.1 | -86.3 | 0 | 0 | 113.3 | | |
| 547 | D | 29.1 | Very low | 30.1 | Very low | 121 Ų | 121 | 150.2 Ų | 150.2 | 65% | 0.647 | 79% | 0.788 | S | S | * | * | | | trans | 43.9 | 106.7 | 146.5 | -50.4 | -29.8 | 0 | 0 | 0 | 120.9 | | |
| 548 | T | 27.4 | Very low | 30.2 | Very low | 154 Ų | 154 | 149.8 Ų | 149.8 | 95% | 0.945 | 79% | 0.788 | S | S | * | * | | | | -174.3 | 153.3 | 103.4 | 23 | 0 | 0 | 0 | 0 | 111.4 | | |
| 549 | A | 28.5 | Very low | 29.8 | Very low | 89 Ų | 89 | 146.7 Ų | 146.7 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | | | trans | -125.4 | 129.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 550 | N | 30.3 | Very low | 29.1 | Very low | 138 Ų | 138 | 148 Ų | 148 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | | | trans | -170.2 | 125.2 | 155.3 | -92.8 | -38.5 | 0 | 0 | 0 | 106.5 | | |
| 551 | Q | 27.6 | Very low | 29 | Very low | 164 Ų | 164 | 144.8 Ų | 144.8 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | | | | 64.2 | 132.8 | 93.3 | -64.2 | -166.4 | 91.8 | 0 | 0 | 112.7 | | |
| 552 | E | 26.6 | Very low | 28.8 | Very low | 184 Ų | 184 | 140.1 Ų | 140.1 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | | | cis | -134.5 | -179.9 | 25.9 | -72.8 | -174 | 147 | 0 | 0 | 115.6 | | |
| 553 | K | 25.9 | Very low | 28.8 | Very low | 177 Ų | 177 | 138.7 Ų | 138.7 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | | | trans | -100 | 165.3 | 172.6 | -136.1 | 173.5 | -171.7 | 175.9 | 0 | 108.4 | | |
| 554 | P | 28.5 | Very low | 28.6 | Very low | 125 Ų | 125 | 138.8 Ų | 138.8 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | | | | -146 | 162.1 | 82.7 | 36.9 | -19.6 | 0 | 0 | 0 | 115.6 | | |
| 555 | V | 25.6 | Very low | 28.7 | Very low | 113 Ų | 113 | 137 Ų | 137 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | | | trans | -132.4 | 136.5 | 165.7 | 168.3 | 0 | 0 | 0 | 0 | 106.8 | | |
| 556 | S | 25 | Very low | 28.4 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | | | trans | -81 | 138.4 | 169.4 | 35.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 557 | H | 25.6 | Very low | 29.1 | Very low | 175 Ų | 175 | 133.7 Ų | 133.7 | 81% | 0.81 | 74% | 0.737 | S | S | * | * | | | trans | -73.9 | 175.6 | 177.1 | -58.5 | -77.5 | 0 | 0 | 0 | 112.1 | | |
| 558 | P | 40.2 | Very low | 28.9 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | | | cis | -126.9 | -159.8 | 3.3 | 30.8 | -5.5 | 0 | 0 | 0 | 111.8 | | |
| 559 | T | 25.3 | Very low | 28.8 | Very low | 103 Ų | 103 | 137.4 Ų | 137.4 | 63% | 0.632 | 73% | 0.734 | S | S | * | * | | | cis | -164.6 | 153.7 | 19.8 | -22.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 560 | N | 24.4 | Very low | 28.8 | Very low | 143 Ų | 143 | 138.9 Ų | 138.9 | 77% | 0.765 | 73% | 0.734 | S | S | * | * | | | trans | 65.4 | 149.3 | 155.7 | -63.9 | -19.3 | 0 | 0 | 0 | 119.2 | | |
| 561 | V | 27.3 | Very low | 28.7 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 72% | 0.721 | 74% | 0.74 | S | S | * | * | | | cis | -156.8 | 160.8 | -11.8 | 121.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 562 | S | 30.7 | Very low | 28.6 | Very low | 99 Ų | 99 | 139.3 Ų | 139.3 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | | | trans | -1.7 | 150.1 | 162 | -49.1 | 0 | 0 | 0 | 0 | 120.3 | | |
| 563 | K | 31.5 | Very low | 28.6 | Very low | 160 Ų | 160 | 136.8 Ų | 136.8 | 70% | 0.696 | 73% | 0.734 | S | S | * | * | | | cis | -164.1 | -164.3 | 11.8 | -128.7 | 164.1 | 155.8 | -79.1 | 0 | 107.2 | | |
| 564 | D | 27.4 | Very low | 28.6 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 61% | 0.61 | 74% | 0.736 | S | S | * | * | | | cis | -151.2 | -154.7 | 6.9 | -139.7 | -37.6 | 0 | 0 | 0 | 113.3 | | |
| 565 | H | 34.9 | Very low | 28.7 | Very low | 135 Ų | 135 | 134.9 Ų | 134.9 | 63% | 0.625 | 73% | 0.727 | S | S | * | * | | | trans | -132.8 | 143.6 | -158.8 | -78.7 | -80.9 | 0 | 0 | 0 | 117.3 | | |
| 566 | H | 26.7 | Very low | 28.8 | Very low | 163 Ų | 163 | 135.2 Ų | 135.2 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | | | trans | 69 | 178.5 | 136.8 | -67.6 | -44.8 | 0 | 0 | 0 | 120.1 | | |
| 567 | P | 43.4 | Very low | 29.4 | Very low | 106 Ų | 106 | 139.3 Ų | 139.3 | 69% | 0.688 | 74% | 0.738 | S | S | * | * | | | | -142.6 | -166.4 | -66.6 | 44.9 | -29 | 0 | 0 | 0 | 115.8 | | |
| 568 | R | 24 | Very low | 30.3 | Very low | 216 Ų | 216 | 137.5 Ų | 137.5 | 82% | 0.815 | 74% | 0.741 | S | S | * | * | | | trans | 94.2 | 115.4 | 146.3 | -87.2 | -174.4 | 153.7 | -146.8 | -5.1 | 122.4 | | |
| 569 | L | 26.6 | Very low | 29.7 | Very low | 137 Ų | 137 | 135.5 Ų | 135.5 | 72% | 0.717 | 74% | 0.741 | S | S | * | * | | | | 86.6 | 158.2 | 123.2 | -74.5 | 172.1 | 0 | 0 | 0 | 123.6 | | |
| 570 | T | 26.8 | Very low | 30.8 | Very low | 119 Ų | 119 | 136 Ų | 136 | 73% | 0.73 | 75% | 0.746 | S | S | * | * | | | trans | -102.3 | 156.9 | -161.7 | 44 | 0 | 0 | 0 | 0 | 114.5 | | |
| 571 | T | 28.5 | Very low | 30.9 | Very low | 143 Ų | 143 | 140.8 Ų | 140.8 | 88% | 0.877 | 75% | 0.754 | S | S | * | * | | | trans | -137.1 | -176 | 167.1 | 52.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 572 | E | 26.2 | Very low | 31.7 | Very low | 168 Ų | 168 | 142.8 Ų | 142.8 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | | | trans | -160.7 | 164.7 | -144.3 | -108.5 | -175 | -99 | 0 | 0 | 110.9 | | |
| 573 | N | 27.3 | Very low | 32.3 | Very low | 132 Ų | 132 | 143.1 Ų | 143.1 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | | | cis | -158.3 | -149.8 | -4.2 | -156.2 | -39.4 | 0 | 0 | 0 | 108.7 | | |
| 574 | E | 25.6 | Very low | 32.1 | Very low | 172 Ų | 172 | 141.1 Ų | 141.1 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | trans | 83.5 | 143.1 | 159.8 | -61.4 | -160.6 | 177.1 | 0 | 0 | 120.4 | | |
| 575 | S | 29 | Very low | 32 | Very low | 90 Ų | 90 | 140 Ų | 140 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | | | cis | -162.4 | 160.1 | -24.5 | 61.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 576 | S | 29.4 | Very low | 31.7 | Very low | 120 Ų | 120 | 140 Ų | 140 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | | | trans | 80 | 147.8 | 155.9 | 83.7 | 0 | 0 | 0 | 0 | 123 | | |
| 577 | K | 37.2 | Very low | 31.9 | Very low | 200 Ų | 200 | 137.5 Ų | 137.5 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | | | trans | -159.2 | 141.7 | 168.9 | -110.1 | 179.8 | -179.7 | 173.1 | 0 | 105.5 | | |
| 578 | P | 44.3 | Very low | 31.3 | Very low | 136 Ų | 136 | 139 Ų | 139 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | | | | -144.9 | 173.4 | 78.7 | 37.5 | -18.5 | 0 | 0 | 0 | 112.6 | | |
| 579 | G | 28.2 | Very low | 31.5 | Very low | 70 Ų | 70 | 131.8 Ų | 131.8 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | | | | 159.3 | 178.3 | 51.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 580 | P | 48.4 | Very low | 31.8 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | | | trans | -123 | 155.5 | -150.8 | 40.1 | -30 | 0 | 0 | 0 | 118.6 | | |
| 581 | R | 26.5 | Very low | 32.3 | Very low | 244 Ų | 244 | 135.5 Ų | 135.5 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | | | trans | -170.3 | 167.7 | 140.1 | -110.6 | 159.8 | -76.3 | -161.3 | 1.5 | 114.1 | | |
| 582 | I | 43.6 | Very low | 32.6 | Very low | 160 Ų | 160 | 136.6 Ų | 136.6 | 82% | 0.821 | 77% | 0.772 | S | S | * | * | | | trans | -146.5 | 157.3 | -166.9 | -74 | 171.8 | 0 | 0 | 0 | 106.2 | | |
| 583 | P | 43.8 | Very low | 33 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 69% | 0.688 | 77% | 0.765 | S | S | * | * | | | cis | -131.7 | 174.3 | 9.6 | 23.5 | 2 | 0 | 0 | 0 | 118.1 | | |
| 584 | S | 26.3 | Very low | 33.7 | Very low | 118 Ų | 118 | 137.4 Ų | 137.4 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | | | trans | 33.8 | 124.6 | 142.8 | -53.1 | 0 | 0 | 0 | 0 | 123.7 | | |
| 585 | A | 26 | Very low | 34.8 | Very low | 92 Ų | 92 | 135.5 Ų | 135.5 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | | | | 164 | 123.9 | 104.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 586 | T | 28.2 | Very low | 34.9 | Very low | 133 Ų | 133 | 135.8 Ų | 135.8 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | | | trans | 30.6 | 119.9 | 149.3 | 53.3 | 0 | 0 | 0 | 0 | 124.1 | | |
| 587 | S | 30.3 | Very low | 35.2 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | | | | 73.1 | 129.5 | 126.6 | -161.4 | 0 | 0 | 0 | 0 | 122.1 | | |
| 588 | V | 31.3 | Very low | 35 | Very low | 139 Ų | 139 | 133.3 Ų | 133.3 | 84% | 0.842 | 76% | 0.757 | S | S | * | * | | | | -175.1 | 136.8 | 113.7 | 150.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 589 | G | 27.8 | Very low | 34.6 | Very low | 64 Ų | 64 | 133.6 Ų | 133.6 | 66% | 0.66 | 75% | 0.751 | S | S | * | * | | | trans | 89.2 | 152.6 | 161 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 590 | Y | 32.8 | Very low | 34.8 | Very low | 195 Ų | 195 | 136.1 Ų | 136.1 | 77% | 0.765 | 75% | 0.752 | S | S | * | * | | | cis | -159.7 | 125.7 | -3.7 | -146.6 | -123.9 | 0 | 0 | 0 | 111.6 | | |
| 591 | H | 38.5 | Very low | 33.9 | Very low | 139 Ų | 139 | 133.8 Ų | 133.8 | 64% | 0.644 | 75% | 0.749 | S | S | * | * | | | trans | 72.9 | 147.9 | 146.6 | -74.3 | -150.8 | 0 | 0 | 0 | 120.4 | | |
| 592 | F | 34.8 | Very low | 34 | Very low | 165 Ų | 165 | 130.6 Ų | 130.6 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | | | cis | -158.7 | 146.1 | -14.9 | -171.3 | -119.1 | 0 | 0 | 0 | 111.6 | | |
| 593 | T | 34.8 | Very low | 33.2 | Very low | 102 Ų | 102 | 131.8 Ų | 131.8 | 63% | 0.626 | 75% | 0.75 | S | S | * | * | | | trans | 45.8 | 102.8 | 166.5 | 51.4 | 0 | 0 | 0 | 0 | 121.6 | | |
| 594 | K | 41.7 | Very low | 32.5 | Very low | 216 Ų | 216 | 132.9 Ų | 132.9 | 94% | 0.939 | 76% | 0.755 | S | S | * | * | | | | -143.6 | 80.3 | 129.1 | -90.4 | -164.1 | 179 | -179.3 | 0 | 109.6 | | |
| 595 | E | 47.7 | Very low | 32.6 | Very low | 132 Ų | 132 | 132.3 Ų | 132.3 | 62% | 0.617 | 75% | 0.751 | S | S | * | * | | | trans | -158.7 | 130.4 | 175.3 | -161.8 | 159.6 | -140.6 | 0 | 0 | 113.9 | W597 | E595-W597 HydrophobicContact CG-CD2 3.98Å; E595-W597 HydrophobicContact CG-CG 4.12Å; E595-W597 HydrophobicContact CG-CZ2 4.27Å; E595-W597 WeakPolarHBondContact OE2-CZ2 3.43Å |
| 596 | A | 31.4 | Very low | 32.8 | Very low | 96 Ų | 96 | 136 Ų | 136 | 79% | 0.793 | 76% | 0.757 | S | S | * | * | | | trans | -171.4 | 131 | 134.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 597 | W | 35 | Very low | 32.7 | Very low | 195 Ų | 195 | 133.9 Ų | 133.9 | 74% | 0.739 | 75% | 0.753 | S | S | * | * | | | cis | -164.8 | 172 | -24.4 | -116.8 | 111.8 | 0 | 0 | 0 | 107.8 | E595 | E595-W597 HydrophobicContact CG-CD2 3.98Å; E595-W597 HydrophobicContact CG-CG 4.12Å; E595-W597 HydrophobicContact CG-CZ2 4.27Å; E595-W597 WeakPolarHBondContact OE2-CZ2 3.43Å |
| 598 | A | 34.4 | Very low | 32.5 | Very low | 72 Ų | 72 | 136.1 Ų | 136.1 | 60% | 0.595 | 75% | 0.751 | S | S | * | * | | | trans | -121.7 | -164.5 | 157.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 599 | D | 35.8 | Very low | 32.3 | Very low | 142 Ų | 142 | 137.7 Ų | 137.7 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | | | cis | -149.5 | -169.5 | -5.3 | -159.1 | 6.9 | 0 | 0 | 0 | 109.6 | G601 | D599-G601 PolarHBondContact O-N 3.49Š|
| 600 | V | 32.2 | Very low | 32.3 | Very low | 124 Ų | 124 | 146.5 Ų | 146.5 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | | | trans | -1.8 | 116.2 | 144.7 | 172.7 | 0 | 0 | 0 | 0 | 117.1 | | |
| 601 | G | 29 | Very low | 32.1 | Very low | 65 Ų | 65 | 141.2 Ų | 141.2 | 67% | 0.67 | 76% | 0.757 | S | S | * | * | | | | 95.9 | 151 | 122.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | D599 | D599-G601 PolarHBondContact O-N 3.49Š|
| 602 | I | 28 | Very low | 31.5 | Very low | 177 Ų | 177 | 140.7 Ų | 140.7 | 91% | 0.908 | 76% | 0.759 | S | S | * | * | | | trans | -160.1 | 144.8 | 136.9 | -106.6 | 162.4 | 0 | 0 | 0 | 108.7 | | |
| 603 | Q | 27.2 | Very low | 31.3 | Very low | 184 Ų | 184 | 141.1 Ų | 141.1 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | | | trans | -102.7 | 163.4 | 178.7 | -164.6 | 175.2 | 23.5 | 0 | 0 | 111 | | |
| 604 | V | 29.8 | Very low | 31.2 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 78% | 0.782 | 76% | 0.764 | S | S | * | * | | | trans | -47.7 | 146.9 | -179.3 | 168.2 | 0 | 0 | 0 | 0 | 115.4 | | |
| 605 | S | 28.3 | Very low | 30.8 | Very low | 106 Ų | 106 | 141.1 Ų | 141.1 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | | | trans | 101.7 | 112.1 | 151.8 | 67.3 | 0 | 0 | 0 | 0 | 122.7 | | |
| 606 | L | 29.3 | Very low | 29.8 | Very low | 170 Ų | 170 | 139.5 Ų | 139.5 | 89% | 0.89 | 77% | 0.77 | S | S | * | * | | | | 62.2 | 114 | 118.6 | -163.5 | 76.9 | 0 | 0 | 0 | 121.7 | | |
| 607 | A | 25.9 | Very low | 29.8 | Very low | 88 Ų | 88 | 142.3 Ų | 142.3 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | trans | -145.7 | 135.6 | 138.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 608 | Q | 27.7 | Very low | 29.6 | Very low | 159 Ų | 159 | 143.1 Ų | 143.1 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | | | cis | 62.2 | 120.6 | 49.4 | -166.4 | 80.1 | -30.6 | 0 | 0 | 112.8 | | |
| 609 | K | 26.5 | Very low | 29.4 | Very low | 171 Ų | 171 | 145.4 Ų | 145.4 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | | | cis | -180 | 117.4 | -14.6 | 157.6 | -173.6 | 173.4 | -175.9 | 0 | 105.9 | | |
| 610 | R | 26.9 | Very low | 29.2 | Very low | 250 Ų | 250 | 142.8 Ų | 142.8 | 94% | 0.943 | 77% | 0.773 | S | S | * | * | | | trans | -155.7 | 144.3 | 163.6 | -76.3 | -172.4 | 179.4 | 161.3 | -1.2 | 107.9 | | |
| 611 | A | 29.1 | Very low | 29.2 | Very low | 84 Ų | 84 | 143.2 Ų | 143.2 | 69% | 0.694 | 77% | 0.77 | S | S | * | * | | | cis | -154.9 | 165.4 | -24.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 612 | D | 26.5 | Very low | 29.6 | Very low | 128 Ų | 128 | 150.5 Ų | 150.5 | 68% | 0.684 | 78% | 0.777 | S | S | * | * | | | trans | 60.9 | 121.7 | 163 | -86.4 | 27.4 | 0 | 0 | 0 | 122.8 | | |
| 613 | K | 30.4 | Very low | 29.6 | Very low | 174 Ų | 174 | 147.9 Ų | 147.9 | 76% | 0.757 | 77% | 0.769 | S | S | * | * | | | trans | 79.4 | 110.2 | 136 | -67.1 | -174.9 | 177.6 | 95.5 | 0 | 121.8 | | |
| 614 | V | 32.4 | Very low | 29.6 | Very low | 118 Ų | 118 | 142.9 Ų | 142.9 | 72% | 0.715 | 77% | 0.768 | S | S | * | * | | | | 92.4 | 112 | 123.1 | 174.4 | 0 | 0 | 0 | 0 | 120.2 | | |
| 615 | K | 33.4 | Very low | 29.6 | Very low | 200 Ų | 200 | 140.6 Ų | 140.6 | 87% | 0.87 | 77% | 0.77 | S | S | * | * | | | trans | 69.7 | 113 | 147.5 | -70 | 171.5 | -172.9 | 178.8 | 0 | 122.2 | | |
| 616 | A | 26.7 | Very low | 29.9 | Very low | 97 Ų | 97 | 141.1 Ų | 141.1 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | | | trans | -33.6 | 151.3 | 156 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 617 | L | 31.6 | Very low | 30.1 | Very low | 155 Ų | 155 | 142.9 Ų | 142.9 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | | | | -166.2 | 117.3 | 121.7 | -145.7 | 62.8 | 0 | 0 | 0 | 108.6 | | |
| 618 | R | 29.5 | Very low | 30.9 | Very low | 213 Ų | 213 | 145.3 Ų | 145.3 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | | 75.8 | 140 | 72.7 | -133.6 | -170.5 | -159.6 | -122.4 | 5.4 | 115.8 | | |
| 619 | T | 31.5 | Very low | 31.6 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | | | trans | 68.8 | 154 | 158.7 | 33.8 | 0 | 0 | 0 | 0 | 119.2 | | |
| 620 | S | 31.3 | Very low | 31.9 | Very low | 88 Ų | 88 | 146 Ų | 146 | 62% | 0.615 | 79% | 0.786 | S | S | * | * | | | cis | -159.5 | 142.7 | -5.2 | 167.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 621 | I | 32.9 | Very low | 32.3 | Very low | 133 Ų | 133 | 144 Ų | 144 | 68% | 0.682 | 78% | 0.779 | S | S | * | * | | | trans | -1.9 | 135.4 | 134.9 | -9.5 | 166.4 | 0 | 0 | 0 | 116.6 | | |
| 622 | R | 35.7 | Very low | 32.3 | Very low | 218 Ų | 218 | 146.6 Ų | 146.6 | 82% | 0.823 | 78% | 0.781 | S | S | * | * | | | | 173 | 172.5 | 81.9 | -102.6 | 152.8 | 176.3 | -87 | -3.5 | 110.3 | | |
| 623 | T | 28.7 | Very low | 32.4 | Very low | 121 Ų | 121 | 146.2 Ų | 146.2 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | | | cis | 178.9 | 137 | -37.1 | -82.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 624 | G | 27.2 | Very low | 32.2 | Very low | 80 Ų | 80 | 145 Ų | 145 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | | | trans | 95.4 | 162.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 625 | G | 29.4 | Very low | 32.5 | Very low | 81 Ų | 81 | 144.2 Ų | 144.2 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | | | cis | -171.5 | 156.1 | -3.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 626 | S | 35.8 | Very low | 32.3 | Very low | 117 Ų | 117 | 145.3 Ų | 145.3 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -83 | 150 | -166.6 | -33.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 627 | K | 33.7 | Very low | 32.6 | Very low | 207 Ų | 207 | 148.7 Ų | 148.7 | 90% | 0.9 | 79% | 0.79 | S | S | * | * | | | trans | -179.8 | 161.4 | 137.5 | -98.7 | 151.4 | -171.4 | 179.1 | 0 | 113 | | |
| 628 | V | 42.4 | Very low | 32.5 | Very low | 139 Ų | 139 | 145.4 Ų | 145.4 | 84% | 0.842 | 79% | 0.793 | S | S | * | * | | | trans | -130.8 | 137.3 | 174.8 | 173.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 629 | P | 41.3 | Very low | 32.5 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | | | trans | -145.9 | 131.6 | 143.3 | 34.2 | -16.6 | 0 | 0 | 0 | 116.2 | | |
| 630 | R | 33.2 | Very low | 32.5 | Very low | 229 Ų | 229 | 137.2 Ų | 137.2 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | | | trans | 48.1 | 116.6 | 136.4 | -64.8 | -178.5 | 173.5 | 170 | -2.1 | 122 | | |
| 631 | R | 36.2 | Very low | 33 | Very low | 209 Ų | 209 | 138.9 Ų | 138.9 | 79% | 0.789 | 81% | 0.807 | S | S | * | * | | | | 93 | 138.9 | 118.3 | -87.3 | -166.8 | -175.7 | 175.9 | -0.1 | 123.6 | | |
| 632 | D | 28.4 | Very low | 33.1 | Very low | 138 Ų | 138 | 139 Ų | 139 | 74% | 0.738 | 81% | 0.814 | S | S | * | * | | | trans | 86.5 | 140.4 | 139.2 | -58.3 | -11.5 | 0 | 0 | 0 | 124.4 | | |
| 633 | S | 28.4 | Very low | 32.9 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | | | trans | 87.4 | 124.6 | 162.4 | -154.4 | 0 | 0 | 0 | 0 | 122.5 | | |
| 634 | N | 27.3 | Very low | 33.3 | Very low | 147 Ų | 147 | 132.4 Ų | 132.4 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | | | trans | -62.8 | 175.9 | 154.9 | -71.1 | -40.6 | 0 | 0 | 0 | 111.1 | | |
| 635 | P | 37.9 | Very low | 33.6 | Very low | 103 Ų | 103 | 139.3 Ų | 139.3 | 67% | 0.669 | 81% | 0.807 | S | S | * | * | | | cis | -153.2 | -165.2 | 26.9 | 46.3 | -24.8 | 0 | 0 | 0 | 118.4 | | |
| 636 | R | 29.7 | Very low | 33.9 | Very low | 223 Ų | 223 | 141.1 Ų | 141.1 | 84% | 0.842 | 80% | 0.801 | S | S | * | * | | | trans | 73.5 | 118.2 | 159.4 | -69 | 172.8 | -167.9 | -127.7 | -1.1 | 116 | | |
| 637 | L | 31.7 | Very low | 34.1 | Very low | 168 Ų | 168 | 146.4 Ų | 146.4 | 88% | 0.88 | 80% | 0.804 | S | S | * | * | | | | 81.7 | 117.4 | 68.2 | -81.8 | 179.2 | 0 | 0 | 0 | 114.5 | | |
| 638 | G | 29.6 | Very low | 34.6 | Very low | 85 Ų | 85 | 146.7 Ų | 146.7 | 88% | 0.876 | 81% | 0.805 | S | S | * | * | | | trans | 92.4 | 113.5 | 149.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 639 | G | 29.7 | Very low | 34.3 | Very low | 83 Ų | 83 | 144 Ų | 144 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | | | trans | 154.9 | 118.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 640 | G | 31.5 | Very low | 34.3 | Very low | 77 Ų | 77 | 145 Ų | 145 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | | | trans | -92.5 | -167.2 | 155.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 641 | P | 42.6 | Very low | 34.7 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | | | cis | -132.9 | 175.6 | 8.4 | 41.5 | -25.2 | 0 | 0 | 0 | 115.8 | | |
| 642 | V | 35.3 | Very low | 35.2 | Very low | 137 Ų | 137 | 139.4 Ų | 139.4 | 83% | 0.83 | 81% | 0.809 | S | S | * | * | | | trans | 12 | 121.4 | 148.6 | -176 | 0 | 0 | 0 | 0 | 118.9 | | |
| 643 | S | 30.9 | Very low | 35.9 | Very low | 101 Ų | 101 | 142.6 Ų | 142.6 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | | | | -176 | 140 | 109.9 | -167.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 644 | S | 37.2 | Very low | 36.9 | Very low | 99 Ų | 99 | 142.7 Ų | 142.7 | 69% | 0.692 | 81% | 0.808 | S | S | * | * | | | trans | 15.3 | 139.1 | 156.2 | 66.7 | 0 | 0 | 0 | 0 | 123 | | |
| 645 | R | 33.7 | Very low | 37.4 | Very low | 225 Ų | 225 | 144 Ų | 144 | 85% | 0.849 | 81% | 0.81 | S | S | * | * | | | | 174.3 | 117.3 | 107.1 | -175.4 | 167.8 | -72.7 | -127.4 | -0.4 | 115.1 | | |
| 646 | V | 36 | Very low | 37.8 | Very low | 118 Ų | 118 | 144 Ų | 144 | 72% | 0.715 | 81% | 0.812 | S | S | * | * | | | trans | 68.3 | 111.1 | 149.2 | 176.1 | 0 | 0 | 0 | 0 | 121.9 | | |
| 647 | R | 40.2 | Very low | 38.7 | Very low | 229 Ų | 229 | 138.2 Ų | 138.2 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | | | trans | 34.4 | 119 | 135 | -51.4 | 177.3 | -178.3 | 177.3 | -0.2 | 120.9 | | |
| 648 | K | 44.1 | Very low | 39.6 | Very low | 212 Ų | 212 | 136 Ų | 136 | 92% | 0.922 | 81% | 0.806 | S | S | * | * | | | | -154.8 | 155.3 | 118.3 | -106 | 160.5 | -175.5 | 176.7 | 0 | 109.4 | | |
| 649 | G | 36 | Very low | 40.2 | Very low | 82 Ų | 82 | 140 Ų | 140 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | | | trans | -88.7 | 152.3 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 650 | T | 39.8 | Very low | 40.8 | Very low | 136 Ų | 136 | 141.8 Ų | 141.8 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | | | trans | -109.4 | 137.5 | -179.8 | -51.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 651 | I | 43.1 | Very low | 41.5 | Very low | 161 Ų | 161 | 145.6 Ų | 145.6 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | | | trans | -71.8 | 123.7 | 177.3 | -62.6 | 163.4 | 0 | 0 | 0 | 109.2 | R653 | I651-R653 PolarHBondContact O-N 3.41Š|
| 652 | I | 46.1 | Very low | 41.8 | Very low | 160 Ų | 160 | 148.6 Ų | 148.6 | 82% | 0.821 | 80% | 0.8 | S | S | * | * | | | trans | -78.9 | 102.9 | 177.4 | -59 | 178.4 | 0 | 0 | 0 | 109.5 | | |
| 653 | R | 44 | Very low | 42.4 | Very low | 205 Ų | 205 | 148.8 Ų | 148.8 | 77% | 0.774 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 123 | 166.4 | 178.6 | -177.6 | 178.4 | 114 | -6.2 | 109 | I651 Q655 | I651-R653 PolarHBondContact O-N 3.41Å; R653-Q655 PolarHBondContact O-N 2.92Å |
| 654 | P | 49.1 | Very low | 43 | Very low | 123 Ų | 123 | 150.2 Ų | 150.2 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 121.4 | 173.2 | 28.2 | -32.6 | 0 | 0 | 0 | 110.1 | | |
| 655 | Q | 38.3 | Very low | 43.7 | Very low | 173 Ų | 173 | 155.4 Ų | 155.4 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 159.3 | 172.5 | -73.9 | 177.2 | -45.7 | 0 | 0 | 111.1 | R653 | R653-Q655 PolarHBondContact O-N 2.92Š|
| 656 | S | 45.5 | Very low | 44.2 | Very low | 103 Ų | 103 | 151 Ų | 151 | 72% | 0.72 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 141.1 | -173 | 36.3 | 0 | 0 | 0 | 0 | 113.7 | T658 | S656-T658 PolarHBondContact O-N 3.35Š|
| 657 | A | 48.4 | Very low | 44.7 | Very low | 103 Ų | 103 | 155.3 Ų | 155.3 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | 40 | -167.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 658 | T | 50.3 | Low | 44.6 | Very low | 122 Ų | 122 | 147.3 Ų | 147.3 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | -17.4 | -171.9 | -40.2 | 0 | 0 | 0 | 0 | 113.9 | S656 | S656-T658 PolarHBondContact O-N 3.35Š|
| 659 | E | 42.8 | Very low | 44.9 | Very low | 169 Ų | 169 | 147.1 Ų | 147.1 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | | | trans | -108.9 | 11.3 | -163.8 | -155.7 | 162.8 | -142.4 | 0 | 0 | 115.4 | I661 | E659-I661 VanDerWaalsContact C-N 3.31Å; E659-I661 PolarHBondContact O-N 3.33Å |
| 660 | V | 42.5 | Very low | 45.2 | Very low | 120 Ų | 120 | 150.6 Ų | 150.6 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -7.3 | -172.2 | -177.6 | 0 | 0 | 0 | 0 | 113.7 | | |
| 661 | I | 45.9 | Very low | 45.5 | Very low | 157 Ų | 157 | 152.6 Ų | 152.6 | 81% | 0.805 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -13.6 | -166.4 | -67.7 | 178.1 | 0 | 0 | 0 | 114.5 | E659 | E659-I661 VanDerWaalsContact C-N 3.31Å; E659-I661 PolarHBondContact O-N 3.33Å |
| 662 | Q | 48.9 | Very low | 46.1 | Very low | 185 Ų | 185 | 150.7 Ų | 150.7 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -106.9 | -3.5 | -172.8 | -65.9 | -157.5 | 2.2 | 0 | 0 | 117.4 | | |
| 663 | I | 47 | Very low | 46.2 | Very low | 141 Ų | 141 | 148.6 Ų | 148.6 | 72% | 0.723 | 80% | 0.799 | S | S | * | * | | | trans | -102.7 | 22.4 | -173 | -30.4 | -176.2 | 0 | 0 | 0 | 113.9 | | |
| 664 | V | 44.5 | Very low | 46 | Very low | 131 Ų | 131 | 150.3 Ų | 150.3 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | | | trans | -105.1 | 65.1 | 177.7 | -169.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 665 | K | 51.5 | Low | 46.2 | Very low | 208 Ų | 208 | 149.6 Ų | 149.6 | 90% | 0.904 | 80% | 0.801 | S | S | * | * | | | trans | -160.4 | 32.1 | 174.3 | -119.3 | 164.3 | -168.3 | 177.3 | 0 | 117.4 | | |
| 666 | T | 43.1 | Very low | 46.5 | Very low | 133 Ų | 133 | 146.8 Ų | 146.8 | 82% | 0.816 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -118.8 | 141.5 | 167.9 | 49.9 | 0 | 0 | 0 | 0 | 111.2 | G668 | T666-G668 PolarHBondContact O-N 3.03Š|
| 667 | Q | 47.8 | Very low | 46.5 | Very low | 209 Ų | 209 | 148 Ų | 148 | 98% | 0.977 | 80% | 0.803 | S | S | * | * | | | trans | -81.3 | 105.4 | -178.2 | -71.6 | -179 | -15.2 | 0 | 0 | 110.8 | | |
| 668 | G | 38.8 | Very low | 45.6 | Very low | 60 Ų | 60 | 154.1 Ų | 154.1 | 62% | 0.619 | 80% | 0.804 | S | S | * | * | | | trans | -132.4 | 122.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | T666 I670 | T666-G668 PolarHBondContact O-N 3.03Å; G668-I670 VanDerWaalsContact C-N 3.35Å; G668-I670 PolarHBondContact O-N 2.97Å |
| 669 | K | 49.1 | Very low | 44.9 | Very low | 209 Ų | 209 | 154.8 Ų | 154.8 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | | | trans | -76.8 | 82.1 | 177.1 | -68.9 | -179.8 | -178.8 | 175.7 | 0 | 110.4 | M671 | K669-M671 PolarHBondContact O-N 2.74Š|
| 670 | I | 43.1 | Very low | 44.2 | Very low | 154 Ų | 154 | 154.4 Ų | 154.4 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | | | trans | -69.2 | 113.4 | 171.5 | -60.2 | 176.8 | 0 | 0 | 0 | 108.4 | G668 V672 | G668-I670 VanDerWaalsContact C-N 3.35Å; G668-I670 PolarHBondContact O-N 2.97Å; I670-V672 PolarHBondContact O-N 3.31Å |
| 671 | M | 45.3 | Very low | 43.8 | Very low | 179 Ų | 179 | 154.3 Ų | 154.3 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | | | trans | -75 | 109.1 | 175.2 | -71.8 | 178.3 | 62 | 0 | 0 | 110 | K669 | K669-M671 PolarHBondContact O-N 2.74Š|
| 672 | V | 56.4 | Low | 43 | Very low | 121 Ų | 121 | 152.8 Ų | 152.8 | 73% | 0.733 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 124.9 | 169.3 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | I670 R674 | I670-V672 PolarHBondContact O-N 3.31Å; V672-R674 PolarHBondContact O-N 3.03Å |
| 673 | P | 46.9 | Very low | 42.3 | Very low | 115 Ų | 115 | 152.4 Ų | 152.4 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 131.4 | 172.3 | 27.1 | -33.2 | 0 | 0 | 0 | 109.5 | | |
| 674 | R | 40.3 | Very low | 41.7 | Very low | 241 Ų | 241 | 154.5 Ų | 154.5 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 137.3 | -178.5 | -70.5 | -178.6 | 175.3 | 177.2 | -2.1 | 110.5 | V672 | V672-R674 PolarHBondContact O-N 3.03Š|
| 675 | P | 53.6 | Low | 41.1 | Very low | 108 Ų | 108 | 154.4 Ų | 154.4 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 151.3 | 162.1 | 29.9 | -34.1 | 0 | 0 | 0 | 109.7 | | |
| 676 | P | 45.8 | Very low | 39.9 | Very low | 115 Ų | 115 | 151.4 Ų | 151.4 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 143.1 | 175.1 | 27.7 | -34.3 | 0 | 0 | 0 | 110.5 | | |
| 677 | P | 43.5 | Very low | 39.3 | Very low | 127 Ų | 127 | 149 Ų | 149 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 139.6 | 176.4 | 28.4 | -34.1 | 0 | 0 | 0 | 110.6 | | |
| 678 | R | 30.2 | Very low | 38.5 | Very low | 232 Ų | 232 | 148.5 Ų | 148.5 | 88% | 0.875 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 145 | 166.5 | -78.8 | 179.6 | 164.7 | 173 | -7.1 | 109.6 | | |
| 679 | T | 36.4 | Very low | 38 | Very low | 137 Ų | 137 | 155.1 Ų | 155.1 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | | | trans | -83.3 | 113.7 | 170.2 | 47.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 680 | E | 27.7 | Very low | 36.9 | Very low | 161 Ų | 161 | 149.1 Ų | 149.1 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 136.2 | 162.3 | -60.6 | -61.9 | 154.8 | 0 | 0 | 108.9 | | |
| 681 | P | 33.5 | Very low | 36.5 | Very low | 118 Ų | 118 | 147.4 Ų | 147.4 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 120.4 | 170.1 | 30.9 | -31.1 | 0 | 0 | 0 | 110 | | |
| 682 | T | 30.3 | Very low | 35.6 | Very low | 124 Ų | 124 | 142.9 Ų | 142.9 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 126.1 | 174.2 | -54.9 | 0 | 0 | 0 | 0 | 110.4 | E684 | T682-E684 HydrophobicContact CG2-CG 4.44Å; T682-E684 PolarHBondContact O-N 3.44Å |
| 683 | E | 34.3 | Very low | 34.3 | Very low | 178 Ų | 178 | 142.5 Ų | 142.5 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | | | trans | -75.5 | 115.5 | 166.7 | -63.3 | -179.3 | 160.6 | 0 | 0 | 109.9 | | |
| 684 | E | 34.6 | Very low | 33.3 | Very low | 185 Ų | 185 | 144.4 Ų | 144.4 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | | | trans | -109.9 | 143.4 | 166.4 | -83.5 | -163.5 | 146.7 | 0 | 0 | 111.8 | T682 | T682-E684 HydrophobicContact CG2-CG 4.44Å; T682-E684 PolarHBondContact O-N 3.44Å |
| 685 | N | 30.6 | Very low | 32.8 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 68% | 0.684 | 77% | 0.772 | S | S | * | * | | | trans | -114.7 | 127.5 | -166.6 | -95.8 | -89.3 | 0 | 0 | 0 | 112 | | |
| 686 | N | 27.7 | Very low | 31.4 | Very low | 146 Ų | 146 | 138.7 Ų | 138.7 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | | | trans | 69 | 123.2 | 148.3 | -64.7 | -54.4 | 0 | 0 | 0 | 120.8 | | |
| 687 | A | 28.6 | Very low | 31 | Very low | 81 Ų | 81 | 138.2 Ų | 138.2 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | | | | 111.8 | 116.3 | 123.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 688 | K | 31.6 | Very low | 30.2 | Very low | 200 Ų | 200 | 136.6 Ų | 136.6 | 87% | 0.87 | 75% | 0.754 | S | S | * | * | | | trans | 62.4 | 113.9 | 141.4 | -58 | 167.2 | -176.1 | 177.6 | 0 | 118.3 | | |
| 689 | Q | 28.6 | Very low | 30.1 | Very low | 198 Ų | 198 | 136 Ų | 136 | 93% | 0.925 | 75% | 0.752 | S | S | * | * | | | | -161.3 | 158.6 | 97.2 | -156.2 | 145.9 | -12.1 | 0 | 0 | 111.3 | | |
| 690 | A | 25.5 | Very low | 29.9 | Very low | 84 Ų | 84 | 135 Ų | 135 | 69% | 0.694 | 74% | 0.741 | S | S | * | * | | | trans | -137 | 154 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 691 | P | 34.8 | Very low | 29.9 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 77% | 0.766 | 74% | 0.739 | S | S | * | * | | | | -128.7 | 162 | 104.5 | 39.2 | -30.8 | 0 | 0 | 0 | 111 | | |
| 692 | A | 26.7 | Very low | 29.7 | Very low | 84 Ų | 84 | 133.1 Ų | 133.1 | 69% | 0.694 | 74% | 0.739 | S | S | * | * | | | cis | 67.4 | 139.9 | 45 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 693 | T | 29.3 | Very low | 29.6 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | | | cis | -147.9 | -167.9 | 16 | -25.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 694 | E | 26.7 | Very low | 29.4 | Very low | 156 Ų | 156 | 132 Ų | 132 | 73% | 0.729 | 74% | 0.743 | S | S | * | * | | | trans | 67.8 | 138.3 | 176.8 | -77.6 | 58.5 | -82.4 | 0 | 0 | 117.1 | | |
| 695 | E | 28.3 | Very low | 29 | Very low | 160 Ų | 160 | 129.9 Ų | 129.9 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | | | cis | -157.9 | -158.2 | -16.4 | -135 | -59.5 | 93.4 | 0 | 0 | 110.2 | | |
| 696 | A | 24.1 | Very low | 29 | Very low | 69 Ų | 69 | 133 Ų | 133 | 57% | 0.57 | 75% | 0.746 | S | S | * | * | | | trans | -127.4 | -160.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 697 | P | 38.1 | Very low | 29.5 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | | | cis | -142.5 | 167.2 | 0.1 | 43.4 | -24.9 | 0 | 0 | 0 | 119 | | |
| 698 | S | 26.3 | Very low | 29.2 | Very low | 92 Ų | 92 | 133.2 Ų | 133.2 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | | | trans | 80.6 | 127.6 | 138.2 | 75.7 | 0 | 0 | 0 | 0 | 123.6 | | |
| 699 | R | 29.1 | Very low | 29.6 | Very low | 220 Ų | 220 | 129.1 Ų | 129.1 | 83% | 0.83 | 74% | 0.744 | S | S | * | * | | | | 68.3 | 151.4 | 124.8 | -67.5 | -178.5 | 174.8 | 176.7 | -1.4 | 119.3 | | |
| 700 | N | 30.8 | Very low | 29.7 | Very low | 115 Ų | 115 | 126.9 Ų | 126.9 | 62% | 0.615 | 74% | 0.737 | S | S | * | * | | | cis | -164.8 | 165.1 | -3.1 | -117.6 | 3.3 | 0 | 0 | 0 | 111.9 | | |
| 701 | N | 28.3 | Very low | 29.9 | Very low | 133 Ų | 133 | 127.9 Ų | 127.9 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | | | trans | 61.1 | 133.2 | 151.5 | -58.9 | 2.3 | 0 | 0 | 0 | 119 | | |
| 702 | S | 28.6 | Very low | 29.7 | Very low | 108 Ų | 108 | 129.3 Ų | 129.3 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | | | cis | 102.2 | 106.5 | 22.3 | 77.1 | 0 | 0 | 0 | 0 | 115.6 | | |
| 703 | A | 29.8 | Very low | 29.7 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 88% | 0.876 | 75% | 0.745 | S | S | * | * | | | trans | -163.9 | 144 | 154.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 704 | Q | 28.9 | Very low | 29.8 | Very low | 172 Ų | 172 | 136.6 Ų | 136.6 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | | | trans | -111.4 | 156 | 169.9 | -63.1 | 165.7 | -78.3 | 0 | 0 | 109.8 | | |
| 705 | T | 26.1 | Very low | 29.8 | Very low | 140 Ų | 140 | 135.9 Ų | 135.9 | 86% | 0.859 | 75% | 0.752 | S | S | * | * | | | trans | -169 | 145.6 | 144.2 | -81.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 706 | Y | 30 | Very low | 29.6 | Very low | 195 Ų | 195 | 133.8 Ų | 133.8 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | | | trans | -104 | 177.2 | 178.7 | -78.3 | -84.9 | 0 | 0 | 0 | 110.1 | | |
| 707 | P | 39.3 | Very low | 29.7 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | | | cis | -135.5 | -173.3 | 13.7 | 42.2 | -22.7 | 0 | 0 | 0 | 116.6 | | |
| 708 | C | 22.9 | Very low | 29.2 | Very low | 109 Ų | 109 | 137.8 Ų | 137.8 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | | | trans | -77.6 | 169.8 | -179.4 | -45.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 709 | P | 39.8 | Very low | 29.4 | Very low | 115 Ų | 115 | 140.8 Ų | 140.8 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | | | | -147.9 | 146.1 | 91.2 | 37.1 | -20.1 | 0 | 0 | 0 | 118.1 | | |
| 710 | I | 30.8 | Very low | 29.2 | Very low | 151 Ų | 151 | 134.2 Ų | 134.2 | 77% | 0.774 | 77% | 0.774 | S | S | * | * | | | trans | 70.8 | 125.5 | 141.3 | -64.2 | 170.8 | 0 | 0 | 0 | 121.1 | | |
| 711 | C | 28.5 | Very low | 28.9 | Very low | 104 Ų | 104 | 133.4 Ų | 133.4 | 70% | 0.703 | 78% | 0.782 | S | S | * | * | | | trans | 65.2 | 105.4 | 160.1 | -71.4 | 0 | 0 | 0 | 0 | 120.6 | | |
| 712 | L | 30.7 | Very low | 29 | Very low | 148 Ų | 148 | 133 Ų | 133 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | | | | 76.3 | 75.2 | 85.6 | -70.6 | -170.9 | 0 | 0 | 0 | 113 | | |
| 713 | F | 27.8 | Very low | 28.9 | Very low | 194 Ų | 194 | 132.7 Ų | 132.7 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | | | | 74.9 | 99.6 | 82.9 | -79.9 | -64.4 | 0 | 0 | 0 | 116.3 | | |
| 714 | L | 30.4 | Very low | 28.7 | Very low | 156 Ų | 156 | 132.6 Ų | 132.6 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | | | trans | -149.2 | 164.6 | 142.8 | -144.4 | 76.5 | 0 | 0 | 0 | 109.7 | | |
| 715 | D | 26.2 | Very low | 28.5 | Very low | 140 Ų | 140 | 127.8 Ų | 127.8 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | | | trans | 62 | 173.4 | 171 | -58.8 | -30 | 0 | 0 | 0 | 118.4 | | |
| 716 | C | 25.8 | Very low | 29.1 | Very low | 116 Ų | 116 | 126.9 Ų | 126.9 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | | | | -155.2 | 178.8 | -120.4 | 59.3 | 0 | 0 | 0 | 0 | 117 | | |
| 717 | N | 25.2 | Very low | 28.9 | Very low | 146 Ų | 146 | 126 Ų | 126 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | | | trans | 94.3 | 168.9 | 157.7 | -154.1 | 12.1 | 0 | 0 | 0 | 118.2 | | |
| 718 | V | 28.5 | Very low | 28.3 | Very low | 113 Ų | 113 | 129 Ų | 129 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | | | trans | 93.3 | 88.5 | 171.9 | -166.9 | 0 | 0 | 0 | 0 | 117.7 | | |
| 719 | N | 29.5 | Very low | 28.6 | Very low | 155 Ų | 155 | 131 Ų | 131 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | | | | 47.8 | 122.6 | 128.6 | -51.3 | -14.8 | 0 | 0 | 0 | 121.8 | | |
| 720 | G | 25.1 | Very low | 28 | Very low | 82 Ų | 82 | 133.7 Ų | 133.7 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | | | trans | 175.2 | 141.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 721 | A | 25.2 | Very low | 27.9 | Very low | 97 Ų | 97 | 133.2 Ų | 133.2 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | | | trans | -132.3 | 162.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 722 | S | 29.6 | Very low | 27.8 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | | | trans | 77 | 149.4 | -178.5 | -49.4 | 0 | 0 | 0 | 0 | 114.5 | | |
| 723 | S | 25.8 | Very low | 27.8 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | | | cis | -145.1 | 155.8 | 15.8 | -178.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 724 | S | 27.5 | Very low | 28.1 | Very low | 104 Ų | 104 | 133 Ų | 133 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | trans | 52.2 | 118.8 | 148.8 | 53.9 | 0 | 0 | 0 | 0 | 121.4 | | |
| 725 | G | 24.6 | Very low | 27.9 | Very low | 72 Ų | 72 | 129.4 Ų | 129.4 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | | | trans | -82.4 | -144.7 | 145.3 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 726 | P | 37.1 | Very low | 28.3 | Very low | 121 Ų | 121 | 128.5 Ų | 128.5 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | | | cis | -128.4 | 174.4 | -0.1 | 42.4 | -29 | 0 | 0 | 0 | 113.8 | | |
| 727 | Q | 27 | Very low | 28.4 | Very low | 175 Ų | 175 | 132.7 Ų | 132.7 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | | -175.1 | 132.2 | 129.3 | -107.5 | 169 | -10.7 | 0 | 0 | 112.6 | | |
| 728 | E | 26.7 | Very low | 28.8 | Very low | 185 Ų | 185 | 132.8 Ų | 132.8 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | | | trans | -83 | 135 | 160.8 | -65.8 | 178.7 | 112 | 0 | 0 | 109.4 | | |
| 729 | I | 28 | Very low | 29.2 | Very low | 151 Ų | 151 | 134 Ų | 134 | 77% | 0.774 | 79% | 0.79 | S | S | * | * | | | trans | -131.9 | 91.6 | 161.5 | -56 | -179.6 | 0 | 0 | 0 | 108 | | |
| 730 | H | 28.1 | Very low | 29.4 | Very low | 172 Ų | 172 | 132.8 Ų | 132.8 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | | | trans | -108.5 | 110.8 | 160.5 | -92.6 | -76 | 0 | 0 | 0 | 109.5 | | |
| 731 | N | 28 | Very low | 30.3 | Very low | 141 Ų | 141 | 138.2 Ų | 138.2 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | | | | -167.4 | 149.3 | 127.8 | -102.1 | -47.8 | 0 | 0 | 0 | 113.5 | | |
| 732 | N | 27.3 | Very low | 30.9 | Very low | 139 Ų | 139 | 142.5 Ų | 142.5 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | | | trans | 82.1 | 127.1 | 154.8 | -69.3 | -33.9 | 0 | 0 | 0 | 122.8 | | |
| 733 | I | 31.4 | Very low | 31.2 | Very low | 142 Ų | 142 | 140 Ų | 140 | 73% | 0.728 | 78% | 0.782 | S | S | * | * | | | trans | 86.1 | 97.2 | 146 | -61.6 | 158.8 | 0 | 0 | 0 | 118.9 | | |
| 734 | N | 33.5 | Very low | 32 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | | | trans | 44.2 | 94.4 | 131 | -53.3 | -16.4 | 0 | 0 | 0 | 119.1 | | |
| 735 | G | 26.2 | Very low | 32.7 | Very low | 80 Ų | 80 | 142.2 Ų | 142.2 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | trans | -128.6 | 103 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | R737 | G735-R737 PolarHBondContact O-N 3.46Š|
| 736 | S | 33.3 | Very low | 33.9 | Very low | 122 Ų | 122 | 146.7 Ų | 146.7 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | | | trans | -65.1 | 126.5 | 168.3 | 169 | 0 | 0 | 0 | 0 | 110.8 | | |
| 737 | R | 29.7 | Very low | 34.5 | Very low | 204 Ų | 204 | 149.3 Ų | 149.3 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | | | trans | -164.7 | 125.4 | 149.2 | -112.2 | 169.6 | -171 | -149.9 | 3.7 | 114.7 | G735 | G735-R737 PolarHBondContact O-N 3.46Š|
| 738 | K | 33.3 | Very low | 36.2 | Very low | 147 Ų | 147 | 147 Ų | 147 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | | | trans | 53 | 126 | 138 | -64.9 | 173.8 | -177.4 | -169.3 | 0 | 119.3 | N740 | K738-N740 PolarHBondContact O-N 2.83Š|
| 739 | T | 37.1 | Very low | 38.1 | Very low | 140 Ų | 140 | 144.1 Ų | 144.1 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | | | trans | -57.6 | 100.1 | 151.2 | 46.2 | 0 | 0 | 0 | 0 | 109.5 | E741 | T739-E741 PolarHBondContact O-N 2.96Š|
| 740 | N | 32.7 | Very low | 40.2 | Very low | 129 Ų | 129 | 140.2 Ų | 140.2 | 69% | 0.69 | 76% | 0.761 | S | S | * | * | | | trans | -80.2 | 106.6 | 175.3 | -65.6 | -32.9 | 0 | 0 | 0 | 108.7 | K738 K742 | K738-N740 PolarHBondContact O-N 2.83Å; N740-K742 VanDerWaalsContact C-N 3.31Å; N740-K742 PolarHBondContact O-N 3.44Å |
| 741 | E | 44.8 | Very low | 42.7 | Very low | 195 Ų | 195 | 135.9 Ų | 135.9 | 91% | 0.911 | 75% | 0.747 | S | S | * | * | | | trans | -67.1 | 90 | 171.5 | -67.8 | 176.8 | 172.6 | 0 | 0 | 109.5 | T739 | T739-E741 PolarHBondContact O-N 2.96Š|
| 742 | K | 37.4 | Very low | 45.1 | Very low | 187 Ų | 187 | 135.5 Ų | 135.5 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | | | trans | -113.3 | 132.7 | 161.9 | -70 | -168.9 | 173.5 | -172.3 | 0 | 107.6 | N740 | N740-K742 VanDerWaalsContact C-N 3.31Å; N740-K742 PolarHBondContact O-N 3.44Å |
| 743 | G | 34.9 | Very low | 47.8 | Very low | 74 Ų | 74 | 135 Ų | 135 | 76% | 0.763 | 74% | 0.739 | S | S | * | * | | | trans | -56.9 | 147.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | C745 | G743-C745 PolarHBondContact O-N 3.27Š|
| 744 | L | 43.3 | Very low | 50.5 | Low | 160 Ų | 160 | 133.1 Ų | 133.1 | 84% | 0.838 | 73% | 0.727 | S | S | * | * | | | trans | -60.2 | 101 | 178.2 | -65.5 | 171.3 | 0 | 0 | 0 | 109.8 | L746 | L744-L746 HydrophobicContact CB-CD2 4.42Å; L744-L746 PolarHBondContact O-N 3.06Å |
| 745 | C | 41.8 | Very low | 52.9 | Low | 90 Ų | 90 | 128.2 Ų | 128.2 | 61% | 0.608 | 70% | 0.7 | S | S | * | * | | | trans | -73.8 | 91.1 | 176.2 | -171.8 | 0 | 0 | 0 | 0 | 109.1 | G743 H747 | G743-C745 PolarHBondContact O-N 3.27Å; C745-H747 PolarHBondContact O-N 3.08Å |
| 746 | L | 49.3 | Very low | 55.7 | Low | 167 Ų | 167 | 126 Ų | 126 | 87% | 0.874 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 22.5 | -178.3 | -61.8 | 177.1 | 0 | 0 | 0 | 113.9 | L744 | L744-L746 HydrophobicContact CB-CD2 4.42Å; L744-L746 PolarHBondContact O-N 3.06Å |
| 747 | H | 50.2 | Low | 58.1 | Low | 176 Ų | 176 | 126.5 Ų | 126.5 | 82% | 0.815 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.4 | 23.8 | -177.6 | -153.2 | -74.7 | 0 | 0 | 0 | 113.3 | C745 | C745-H747 PolarHBondContact O-N 3.08Š|
| 748 | I | 63.9 | Low | 61.1 | Low | 125 Ų | 125 | 122.7 Ų | 122.7 | 64% | 0.641 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -118.5 | 125.7 | 162 | -56.7 | -178.7 | 0 | 0 | 0 | 107 | | |
| 749 | T | 66.4 | Low | 63.7 | Low | 126 Ų | 126 | 122.8 Ų | 122.8 | 77% | 0.773 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 120.4 | 166.7 | -55.8 | 0 | 0 | 0 | 0 | 106.7 | T751 | T749-T751 PolarHBondContact O-N 3.36Š|
| 750 | P | 72.1 | Confident | 65.7 | Low | 68 Ų | 68 | 119.9 Ų | 119.9 | 44% | 0.442 | 63% | 0.633 | S | S | . | * | P | Polyproline II helix | trans | -60 | 137.3 | -177.8 | 24.9 | -33.6 | 0 | 0 | 0 | 110.1 | E754 I755 | P750-E754 HydrophobicContact CB-CB 4.45Å; P750-I755 HydrophobicContact CB-CG1 4.15Å; P750-I755 HydrophobicContact CG-CD1 4.24Å; P750-I755 HydrophobicContact CG-CG1 4.13Å; P750-I755 WeakPolarHBondContact O-CD1 3.42Å |
| 751 | T | 79.9 | Confident | 68.3 | Low | 82 Ų | 82 | 115.7 Ų | 115.7 | 50% | 0.503 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -65 | 149.1 | -178.4 | -41.9 | 0 | 0 | 0 | 0 | 109.5 | T749 E753 E754 I755 | T749-T751 PolarHBondContact O-N 3.36Å; T751-E753 HydrophobicContact CG2-CB 4.43Å; T751-E753 PolarHBondContact O-N 3.21Å; T751-E754 VanDerWaalsContact CB-OE2 3.29Å; T751-E754 WeakPolarHBondContact CB-OE2 3.27Å; T751-E754 PolarHBondContact N-OE2 2.9Å; T751-E754 WeakPolarHBondContact O-CB 3.39Å; T751-E754 PolarHBondContact O-N 2.88Å; T751-E754 PolarHBondContact OG1-OE2 2.95Å; T751-I755 WeakPolarHBondContact O-CG1 3.38Å; T751-I755 PolarHBondContact O-N 3.29Å |
| 752 | D | 79.1 | Confident | 70.2 | Confident | 133 Ų | 133 | 109.3 Ų | 109.3 | 71% | 0.711 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -55.4 | -29.1 | 178 | -72.7 | -37.7 | 0 | 0 | 0 | 112.5 | I755 A756 | D752-I755 PolarHBondContact O-N 3.44Å; D752-A756 VanDerWaalsContact O-CB 3.28Å; D752-A756 WeakPolarHBondContact O-CB 3.44Å; D752-A756 PolarHBondContact O-N 3.16Å |
| 753 | E | 83.3 | Confident | 72.4 | Confident | 128 Ų | 128 | 106.1 Ų | 106.1 | 60% | 0.598 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.1 | -41.2 | 173.2 | -145.5 | 64.6 | -143.3 | 0 | 0 | 113.1 | T751 A756 Q757 | T751-E753 HydrophobicContact CG2-CB 4.43Å; T751-E753 PolarHBondContact O-N 3.21Å; E753-A756 PolarHBondContact O-N 3.27Å; E753-Q757 WeakPolarHBondContact O-CB 3.39Å; E753-Q757 VanDerWaalsContact O-CG 3.28Å; E753-Q757 WeakPolarHBondContact O-CG 3.48Å; E753-Q757 PolarHBondContact O-N 2.92Å |
| 754 | E | 87.6 | Confident | 74.3 | Confident | 102 Ų | 102 | 106 Ų | 106 | 48% | 0.477 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -70.1 | -37.5 | 176.3 | -61.5 | 173.7 | 104.4 | 0 | 0 | 110.5 | P750 T751 L758 | P750-E754 HydrophobicContact CB-CB 4.45Å; T751-E754 VanDerWaalsContact CB-OE2 3.29Å; T751-E754 WeakPolarHBondContact CB-OE2 3.27Å; T751-E754 PolarHBondContact N-OE2 2.9Å; T751-E754 WeakPolarHBondContact O-CB 3.39Å; T751-E754 PolarHBondContact O-N 2.88Å; T751-E754 PolarHBondContact OG1-OE2 2.95Å; E754-L758 WeakPolarHBondContact O-CB 3.29Å; E754-L758 PolarHBondContact O-N 3.48Å |
| 755 | I | 84.8 | Confident | 75.7 | Confident | 57 Ų | 57 | 100.7 Ų | 100.7 | 29% | 0.292 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 172.2 | -64.9 | 171.1 | 0 | 0 | 0 | 110 | P750 T751 D752 L758 W759 | P750-I755 HydrophobicContact CB-CG1 4.15Å; P750-I755 HydrophobicContact CG-CD1 4.24Å; P750-I755 HydrophobicContact CG-CG1 4.13Å; P750-I755 WeakPolarHBondContact O-CD1 3.42Å; T751-I755 WeakPolarHBondContact O-CG1 3.38Å; T751-I755 PolarHBondContact O-N 3.29Å; D752-I755 PolarHBondContact O-N 3.44Å; I755-L758 PolarHBondContact O-N 2.89Å; I755-W759 PolarHBondContact O-N 2.96Å |
| 756 | A | 84.8 | Confident | 77 | Confident | 35 Ų | 35 | 101 Ų | 101 | 29% | 0.289 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.1 | -49.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | D752 E753 L758 W759 D760 | D752-A756 VanDerWaalsContact O-CB 3.28Å; D752-A756 WeakPolarHBondContact O-CB 3.44Å; D752-A756 PolarHBondContact O-N 3.16Å; E753-A756 PolarHBondContact O-N 3.27Å; A756-L758 VanDerWaalsContact C-N 3.32Å; A756-L758 PolarHBondContact O-N 3.21Å; A756-W759 CarbonylContact O-C 3.6Å; A756-W759 PolarHBondContact O-N 2.89Å; A756-W759 VanDerWaalsContact O-N 3.08Å; A756-D760 PolarHBondContact O-N 3.33Å |
| 757 | Q | 84.6 | Confident | 77.4 | Confident | 131 Ų | 131 | 99.6 Ų | 99.6 | 61% | 0.612 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.3 | -40.1 | 176.7 | -72.1 | 174.4 | 32.9 | 0 | 0 | 112.5 | E753 D760 G761 | E753-Q757 WeakPolarHBondContact O-CB 3.39Å; E753-Q757 VanDerWaalsContact O-CG 3.28Å; E753-Q757 WeakPolarHBondContact O-CG 3.48Å; E753-Q757 PolarHBondContact O-N 2.92Å; Q757-D760 PolarHBondContact O-N 3.5Å; Q757-G761 PolarHBondContact O-N 2.85Å |
| 758 | L | 91.3 | Very high | 77.7 | Confident | 125 Ų | 125 | 95.7 Ų | 95.7 | 65% | 0.654 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.8 | -44.5 | 173.8 | -175.9 | 67.9 | 0 | 0 | 0 | 111.4 | E754 I755 A756 G761 V762 | E754-L758 WeakPolarHBondContact O-CB 3.29Å; E754-L758 PolarHBondContact O-N 3.48Å; I755-L758 PolarHBondContact O-N 2.89Å; A756-L758 VanDerWaalsContact C-N 3.32Å; A756-L758 PolarHBondContact O-N 3.21Å; L758-G761 PolarHBondContact O-N 2.86Å; L758-V762 WeakPolarHBondContact O-CG2 3.5Å; L758-V762 PolarHBondContact O-N 3.01Å |
| 759 | W | 87.7 | Confident | 77.2 | Confident | 149 Ų | 149 | 97.1 Ų | 97.1 | 56% | 0.564 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.3 | -33.2 | 176.5 | -80.3 | 110.8 | 0 | 0 | 0 | 113.3 | I755 A756 V762 R763 | I755-W759 PolarHBondContact O-N 2.96Å; A756-W759 CarbonylContact O-C 3.6Å; A756-W759 PolarHBondContact O-N 2.89Å; A756-W759 VanDerWaalsContact O-N 3.08Å; W759-V762 HydrophobicContact CE3-CB 4.49Å; W759-V762 HydrophobicContact CE3-CG1 4.36Å; W759-V762 HydrophobicContact CZ3-CG1 4.48Å; W759-V762 PolarHBondContact O-N 3.35Å; W759-R763 WeakPolarHBondContact O-CB 3.3Å; W759-R763 VanDerWaalsContact O-CG 3.29Å; W759-R763 WeakPolarHBondContact O-CG 3.36Å; W759-R763 PolarHBondContact O-N 3.1Å |
| 760 | D | 81 | Confident | 76.5 | Confident | 78 Ų | 78 | 98.8 Ų | 98.8 | 42% | 0.417 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -72.3 | -34.3 | 173.4 | -80.2 | -50.6 | 0 | 0 | 0 | 112.8 | A756 Q757 V762 R763 S764 | A756-D760 PolarHBondContact O-N 3.33Å; Q757-D760 PolarHBondContact O-N 3.5Å; D760-V762 VanDerWaalsContact C-N 3.33Å; D760-R763 PolarHBondContact O-N 3.33Å; D760-R763 IonicContact OD1-CZ 3.22Å; D760-R763 IonicContact OD1-NE 2.74Å; D760-R763 PolarHBondContact OD1-NE 3.28Å; D760-R763 IonicContact OD1-NH2 2.89Å; D760-R763 PolarHBondContact OD1-NH2 3.19Å; D760-R763 IonicContact OD2-CZ 3.87Å; D760-R763 IonicContact OD2-NH2 2.83Å; D760-R763 PolarHBondContact OD2-NH2 3.17Å; D760-S764 VanDerWaalsContact O-CB 3.25Å; D760-S764 WeakPolarHBondContact O-CB 3.38Å; D760-S764 PolarHBondContact O-N 3.39Å; D760-S764 PolarHBondContact O-OG 2.92Å |
| 761 | G | 86.3 | Confident | 75 | Confident | 42 Ų | 42 | 98.9 Ų | 98.9 | 43% | 0.433 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58.1 | -45.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q757 L758 S764 A765 | Q757-G761 PolarHBondContact O-N 2.85Å; L758-G761 PolarHBondContact O-N 2.86Å; G761-S764 PolarHBondContact O-N 3.23Å; G761-A765 WeakPolarHBondContact O-CB 3.32Å; G761-A765 PolarHBondContact O-N 2.74Å |
| 762 | V | 85.3 | Confident | 72.9 | Confident | 61 Ų | 61 | 104 Ų | 104 | 37% | 0.37 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.2 | -46.5 | 175.7 | 170.5 | 0 | 0 | 0 | 0 | 112 | L758 W759 D760 S764 A765 L766 | L758-V762 WeakPolarHBondContact O-CG2 3.5Å; L758-V762 PolarHBondContact O-N 3.01Å; W759-V762 HydrophobicContact CE3-CB 4.49Å; W759-V762 HydrophobicContact CE3-CG1 4.36Å; W759-V762 HydrophobicContact CZ3-CG1 4.48Å; W759-V762 PolarHBondContact O-N 3.35Å; D760-V762 VanDerWaalsContact C-N 3.33Å; V762-S764 VanDerWaalsContact C-N 3.33Å; V762-S764 PolarHBondContact O-N 3.34Å; V762-A765 PolarHBondContact O-N 3.42Å; V762-L766 HydrophobicContact CG1-CD1 3.89Å; V762-L766 VanDerWaalsContact O-CG 3.3Å; V762-L766 WeakPolarHBondContact O-CG 3.32Å; V762-L766 PolarHBondContact O-N 2.88Å |
| 763 | R | 83 | Confident | 70.9 | Confident | 119 Ų | 119 | 104 Ų | 104 | 45% | 0.449 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -57.8 | -45 | 176.4 | -75.2 | -178.1 | -77.8 | -103.8 | 8.4 | 111.2 | W759 D760 L766 N767 | W759-R763 WeakPolarHBondContact O-CB 3.3Å; W759-R763 VanDerWaalsContact O-CG 3.29Å; W759-R763 WeakPolarHBondContact O-CG 3.36Å; W759-R763 PolarHBondContact O-N 3.1Å; D760-R763 PolarHBondContact O-N 3.33Å; D760-R763 IonicContact OD1-CZ 3.22Å; D760-R763 IonicContact OD1-NE 2.74Å; D760-R763 PolarHBondContact OD1-NE 3.28Å; D760-R763 IonicContact OD1-NH2 2.89Å; D760-R763 PolarHBondContact OD1-NH2 3.19Å; D760-R763 IonicContact OD2-CZ 3.87Å; D760-R763 IonicContact OD2-NH2 2.83Å; D760-R763 PolarHBondContact OD2-NH2 3.17Å; R763-L766 PolarHBondContact O-N 3Å; R763-N767 PolarHBondContact O-N 3.3Å |
| 764 | S | 74.9 | Confident | 68.5 | Low | 71 Ų | 71 | 103.9 Ų | 103.9 | 50% | 0.497 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.2 | -39.9 | 177.4 | -56.5 | 0 | 0 | 0 | 0 | 112.7 | D760 G761 V762 L766 T768 | D760-S764 VanDerWaalsContact O-CB 3.25Å; D760-S764 WeakPolarHBondContact O-CB 3.38Å; D760-S764 PolarHBondContact O-N 3.39Å; D760-S764 PolarHBondContact O-OG 2.92Å; G761-S764 PolarHBondContact O-N 3.23Å; V762-S764 VanDerWaalsContact C-N 3.33Å; V762-S764 PolarHBondContact O-N 3.34Å; S764-L766 PolarHBondContact O-N 3.32Å; S764-T768 WeakPolarHBondContact O-CG2 3.44Å; S764-T768 PolarHBondContact O-N 3.49Å; S764-T768 PolarHBondContact O-OG1 2.98Å |
| 765 | A | 73.6 | Confident | 66.2 | Low | 49 Ų | 49 | 106.9 Ų | 106.9 | 41% | 0.405 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -74.9 | -9.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | G761 V762 T768 K769 | G761-A765 WeakPolarHBondContact O-CB 3.32Å; G761-A765 PolarHBondContact O-N 2.74Å; V762-A765 PolarHBondContact O-N 3.42Å; A765-T768 WeakPolarHBondContact CA-OG1 3.4Å; A765-K769 WeakPolarHBondContact O-CE 3.36Å |
| 766 | L | 68.3 | Low | 63.6 | Low | 98 Ų | 98 | 112.6 Ų | 112.6 | 51% | 0.513 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -94.2 | -49.2 | 170.6 | -70 | 170.3 | 0 | 0 | 0 | 110.7 | V762 R763 S764 T768 K769 | V762-L766 HydrophobicContact CG1-CD1 3.89Å; V762-L766 VanDerWaalsContact O-CG 3.3Å; V762-L766 WeakPolarHBondContact O-CG 3.32Å; V762-L766 PolarHBondContact O-N 2.88Å; R763-L766 PolarHBondContact O-N 3Å; S764-L766 PolarHBondContact O-N 3.32Å; L766-T768 PolarHBondContact O-N 3.35Å; L766-T768 VanDerWaalsContact O-N 3.08Å; L766-K769 PolarHBondContact O-N 2.96Å; L766-K769 VanDerWaalsContact O-N 3.09Å |
| 767 | N | 58.6 | Low | 61.3 | Low | 137 Ų | 137 | 119.9 Ų | 119.9 | 73% | 0.733 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -62.4 | -18.3 | 179.2 | -72.8 | -0.5 | 0 | 0 | 0 | 114.1 | R763 | R763-N767 PolarHBondContact O-N 3.3Å |
| 768 | T | 55.6 | Low | 58.8 | Low | 94 Ų | 94 | 123 Ų | 123 | 58% | 0.577 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -5.5 | 176.9 | 41.4 | 0 | 0 | 0 | 0 | 114.7 | S764 A765 L766 | S764-T768 WeakPolarHBondContact O-CG2 3.44Å; S764-T768 PolarHBondContact O-N 3.49Å; S764-T768 PolarHBondContact O-OG1 2.98Å; A765-T768 WeakPolarHBondContact CA-OG1 3.4Å; L766-T768 PolarHBondContact O-N 3.35Å; L766-T768 VanDerWaalsContact O-N 3.08Å |
| 769 | K | 54 | Low | 55.7 | Low | 155 Ų | 155 | 121.9 Ų | 121.9 | 67% | 0.674 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -86.8 | -21.7 | -173.7 | -72.4 | 176.7 | 178.1 | 167 | 0 | 115.7 | A765 L766 | A765-K769 WeakPolarHBondContact O-CE 3.36Å; L766-K769 PolarHBondContact O-N 2.96Å; L766-K769 VanDerWaalsContact O-N 3.09Å |
| 770 | D | 50.5 | Low | 53 | Low | 160 Ų | 160 | 122.5 Ų | 122.5 | 86% | 0.856 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -98.3 | -1.7 | 176.3 | -67.9 | -47.3 | 0 | 0 | 0 | 113.4 | | |
| 771 | A | 40.7 | Very low | 50.5 | Low | 70 Ų | 70 | 127.1 Ų | 127.1 | 58% | 0.579 | 69% | 0.689 | S | S | * | * | | | trans | -86.6 | 111.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 772 | K | 35.5 | Very low | 47.6 | Very low | 189 Ų | 189 | 129.1 Ų | 129.1 | 82% | 0.822 | 70% | 0.696 | S | S | * | * | | | trans | -63.6 | 135.1 | 169.2 | -68.2 | 174 | -178.2 | 171.7 | 0 | 109.7 | V774 | K772-V774 PolarHBondContact O-N 2.9Š|
| 773 | P | 37.8 | Very low | 45 | Very low | 133 Ų | 133 | 136.3 Ų | 136.3 | 86% | 0.864 | 72% | 0.717 | S | S | * | * | | | trans | -71.7 | 101.7 | -175.7 | 28.2 | -34.8 | 0 | 0 | 0 | 111.6 | | |
| 774 | V | 34 | Very low | 42.3 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 76% | 0.764 | 73% | 0.727 | S | S | * | * | | | trans | -85.7 | 118.2 | 167.9 | 177.4 | 0 | 0 | 0 | 0 | 108.7 | K772 Q776 | K772-V774 PolarHBondContact O-N 2.9Å; V774-Q776 PolarHBondContact O-N 3.17Å; V774-Q776 VanDerWaalsContact O-N 3.08Å |
| 775 | L | 38.6 | Very low | 40.1 | Very low | 166 Ų | 166 | 139 Ų | 139 | 87% | 0.869 | 73% | 0.733 | S | S | * | * | | | trans | -69.3 | 99.4 | 170.5 | -88.9 | 164.9 | 0 | 0 | 0 | 110.1 | | |
| 776 | Q | 30.4 | Very low | 37.9 | Very low | 177 Ų | 177 | 146.8 Ų | 146.8 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | | | trans | -112.7 | 97.7 | 165.8 | -165.9 | 166.1 | 11.3 | 0 | 0 | 109.6 | V774 | V774-Q776 PolarHBondContact O-N 3.17Å; V774-Q776 VanDerWaalsContact O-N 3.08Å |
| 777 | K | 35.6 | Very low | 35.9 | Very low | 188 Ų | 188 | 153.2 Ų | 153.2 | 82% | 0.817 | 77% | 0.771 | S | S | * | * | | | trans | -68.2 | 138.1 | 166.8 | -69.7 | -177.1 | 176.1 | -177.5 | 0 | 108.7 | | |
| 778 | Q | 32.5 | Very low | 34.4 | Very low | 195 Ų | 195 | 155.6 Ų | 155.6 | 91% | 0.911 | 78% | 0.775 | S | S | * | * | | | trans | -65.5 | 140.3 | 163.9 | -71.1 | 173.5 | -50.1 | 0 | 0 | 109.8 | | |
| 779 | A | 26.1 | Very low | 33.5 | Very low | 102 Ų | 102 | 156.4 Ų | 156.4 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | | | trans | -113 | 148.6 | 149.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 780 | L | 31.4 | Very low | 32 | Very low | 162 Ų | 162 | 158.6 Ų | 158.6 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | | | trans | -90.7 | 179.4 | -172.2 | -158.4 | 74.9 | 0 | 0 | 0 | 110.8 | | |
| 781 | E | 27.7 | Very low | 31 | Very low | 176 Ų | 176 | 154.6 Ų | 154.6 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | | | trans | 82.5 | 154 | 160.4 | -57.3 | -167.4 | 138.6 | 0 | 0 | 119 | | |
| 782 | S | 26.5 | Very low | 30.2 | Very low | 84 Ų | 84 | 158.8 Ų | 158.8 | 59% | 0.587 | 79% | 0.788 | S | S | * | * | | | cis | -172.3 | 122.2 | -33 | -177.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 783 | R | 29.1 | Very low | 29.9 | Very low | 212 Ų | 212 | 157.9 Ų | 157.9 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | | | trans | 60.3 | 173.7 | 159.1 | -71.1 | 172.7 | 175.8 | -162.4 | -1.6 | 114.3 | | |
| 784 | H | 26.8 | Very low | 29.4 | Very low | 141 Ų | 141 | 156 Ų | 156 | 65% | 0.653 | 78% | 0.777 | S | S | * | * | | | cis | -149.3 | 127.7 | -23.1 | -108.4 | -30.1 | 0 | 0 | 0 | 104.2 | | |
| 785 | V | 28.6 | Very low | 29.2 | Very low | 105 Ų | 105 | 161.6 Ų | 161.6 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | | | | 115.7 | 149.7 | 92.5 | 150.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 786 | Y | 27.4 | Very low | 28.9 | Very low | 213 Ų | 213 | 162.4 Ų | 162.4 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | | | trans | 81.1 | 135.2 | 164.1 | -79.6 | -45.4 | 0 | 0 | 0 | 123.7 | | |
| 787 | R | 26 | Very low | 29.4 | Very low | 233 Ų | 233 | 158.9 Ų | 158.9 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | | | trans | 73.7 | 96 | 153.1 | -72.8 | -175.2 | -178.5 | -147.6 | 0.3 | 121.4 | | |
| 788 | K | 26.9 | Very low | 29.3 | Very low | 186 Ų | 186 | 156.2 Ų | 156.2 | 81% | 0.809 | 78% | 0.778 | S | S | * | * | | | | -45.3 | 158.2 | 124.1 | -87.7 | -178.1 | 177.6 | -179.6 | 0 | 111.2 | | |
| 789 | P | 37 | Very low | 29 | Very low | 111 Ų | 111 | 153.2 Ų | 153.2 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | | | cis | -138.3 | -179.5 | 39.8 | 23.3 | 3 | 0 | 0 | 0 | 117.5 | | |
| 790 | F | 22.4 | Very low | 29.2 | Very low | 201 Ų | 201 | 153.4 Ų | 153.4 | 88% | 0.882 | 78% | 0.775 | S | S | * | * | | | trans | 9.3 | 158.1 | 145.7 | -67 | -101.5 | 0 | 0 | 0 | 120.5 | | |
| 791 | A | 29.6 | Very low | 29 | Very low | 76 Ų | 76 | 149.4 Ų | 149.4 | 63% | 0.628 | 77% | 0.772 | S | S | * | * | | | cis | -151.6 | 145.2 | 8.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 792 | E | 25.3 | Very low | 29.1 | Very low | 158 Ų | 158 | 146 Ų | 146 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | | | | 82.6 | 156.6 | 93.9 | -154.8 | 178.9 | -136 | 0 | 0 | 114.4 | | |
| 793 | H | 28.7 | Very low | 29.4 | Very low | 171 Ų | 171 | 152 Ų | 152 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | | | trans | 70.1 | 158.8 | -179.2 | -45.5 | -21.2 | 0 | 0 | 0 | 115.6 | | |
| 794 | S | 27.1 | Very low | 29.5 | Very low | 94 Ų | 94 | 150.9 Ų | 150.9 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | | | cis | -166.1 | 138.5 | -34.5 | -177.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 795 | R | 30.6 | Very low | 29.5 | Very low | 242 Ų | 242 | 152.2 Ų | 152.2 | 91% | 0.913 | 78% | 0.778 | S | S | * | * | | | trans | 66.8 | 148.6 | 165.1 | -67 | 167.2 | -173.1 | -153.5 | 0.2 | 119.7 | | |
| 796 | Q | 30.7 | Very low | 29.4 | Very low | 183 Ų | 183 | 153.6 Ų | 153.6 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | | | trans | -85.3 | -179.6 | 166.8 | -57.5 | 171.6 | -54.3 | 0 | 0 | 110.2 | | |
| 797 | P | 40.8 | Very low | 29.5 | Very low | 104 Ų | 104 | 151.2 Ų | 151.2 | 68% | 0.675 | 78% | 0.777 | S | S | * | * | | | cis | -124.2 | -163.8 | -48.1 | 35.4 | -19.4 | 0 | 0 | 0 | 109.8 | | |
| 798 | P | 34.6 | Very low | 29.4 | Very low | 132 Ų | 132 | 145 Ų | 145 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | | | | -129.7 | 162.8 | 127.3 | 36.6 | -30.2 | 0 | 0 | 0 | 114.2 | | |
| 799 | V | 26.5 | Very low | 29.4 | Very low | 132 Ų | 132 | 141.2 Ų | 141.2 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | | | trans | -121.2 | 152.3 | -179.6 | 169.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 800 | A | 30.4 | Very low | 28.9 | Very low | 106 Ų | 106 | 144.6 Ų | 144.6 | 88% | 0.876 | 77% | 0.773 | S | S | * | * | | | trans | 71.3 | 146.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 801 | G | 27.3 | Very low | 30 | Very low | 77 Ų | 77 | 140.2 Ų | 140.2 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | | | trans | 158.2 | 49.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 802 | S | 28.7 | Very low | 29.8 | Very low | 106 Ų | 106 | 141.4 Ų | 141.4 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | | | trans | -64.5 | 161.2 | -170.5 | -173.3 | 0 | 0 | 0 | 0 | 115.7 | | |
| 803 | R | 32.7 | Very low | 30 | Very low | 208 Ų | 208 | 142 Ų | 142 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | | | trans | 98.9 | 122.3 | 175.5 | -57.8 | 162.6 | -162.7 | -111.9 | 1.5 | 112.7 | | |
| 804 | R | 31.9 | Very low | 30 | Very low | 189 Ų | 189 | 141.5 Ų | 141.5 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | | | | 65.4 | 128.5 | 69.6 | -72 | -168.4 | -85.1 | 169.1 | -9.3 | 111.4 | | |
| 805 | F | 26.2 | Very low | 29.8 | Very low | 170 Ų | 170 | 144.1 Ų | 144.1 | 75% | 0.746 | 77% | 0.769 | S | S | * | * | | | cis | -155.2 | -164.4 | 9.5 | -121.7 | -39.5 | 0 | 0 | 0 | 112.5 | | |
| 806 | L | 27.1 | Very low | 29.7 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | | | trans | -53.7 | 173.7 | 172.9 | -56.1 | 149.5 | 0 | 0 | 0 | 112.5 | | |
| 807 | Q | 28.6 | Very low | 29.5 | Very low | 162 Ų | 162 | 138 Ų | 138 | 76% | 0.757 | 76% | 0.76 | S | S | * | * | | | cis | -171.8 | 166.1 | 25.2 | -152.5 | 158 | -53 | 0 | 0 | 112.3 | | |
| 808 | S | 24.3 | Very low | 28.8 | Very low | 103 Ų | 103 | 139.2 Ų | 139.2 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | | | trans | 69.5 | 162.8 | 150.8 | -130 | 0 | 0 | 0 | 0 | 117.4 | | |
| 809 | S | 26.5 | Very low | 28.5 | Very low | 107 Ų | 107 | 140.4 Ų | 140.4 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | | | cis | -142.9 | 168.2 | 1.4 | -63.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 810 | Q | 26.6 | Very low | 28.5 | Very low | 181 Ų | 181 | 145.2 Ų | 145.2 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | | | trans | -75.4 | -166.9 | 157.3 | -46.3 | 175.9 | -74.4 | 0 | 0 | 110.2 | | |
| 811 | P | 46.1 | Very low | 28.8 | Very low | 110 Ų | 110 | 145.8 Ų | 145.8 | 71% | 0.714 | 76% | 0.758 | S | S | * | * | | | cis | -123 | -163.2 | -14.9 | 30.2 | -7.9 | 0 | 0 | 0 | 112.4 | | |
| 812 | T | 25.1 | Very low | 28.6 | Very low | 101 Ų | 101 | 145.1 Ų | 145.1 | 62% | 0.62 | 75% | 0.751 | S | S | * | * | | | | 168.6 | 130.2 | 86.9 | -66.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 813 | K | 30.2 | Very low | 29.3 | Very low | 171 Ų | 171 | 146 Ų | 146 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | | | trans | 54 | 141.5 | 149.4 | -65.9 | 167.9 | -172.6 | 177.8 | 0 | 124.2 | | |
| 814 | Q | 27.5 | Very low | 29.1 | Very low | 159 Ų | 159 | 147.1 Ų | 147.1 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | | | trans | 56.9 | 130.8 | 130.1 | -62.5 | 160.9 | -33 | 0 | 0 | 120.1 | | |
| 815 | N | 23.8 | Very low | 28.8 | Very low | 149 Ų | 149 | 145.2 Ų | 145.2 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | | | cis | 89.4 | 142.5 | 40 | -85 | 7.3 | 0 | 0 | 0 | 115.9 | | |
| 816 | T | 28.9 | Very low | 28.9 | Very low | 128 Ų | 128 | 147 Ų | 147 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | | | trans | 70.1 | 143 | 164.7 | 28.6 | 0 | 0 | 0 | 0 | 117.8 | | |
| 817 | E | 25.2 | Very low | 28.8 | Very low | 169 Ų | 169 | 146.6 Ų | 146.6 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | | | cis | -113 | -124 | -4 | -68.2 | -159.6 | 85.7 | 0 | 0 | 112 | | |
| 818 | L | 26.8 | Very low | 28.6 | Very low | 129 Ų | 129 | 144.6 Ų | 144.6 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | | | cis | -160.9 | 152 | -4.6 | -136.7 | 159.4 | 0 | 0 | 0 | 111.7 | | |
| 819 | N | 28.8 | Very low | 28.6 | Very low | 158 Ų | 158 | 145.9 Ų | 145.9 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | | | trans | 79.8 | 153.8 | 159 | -91.8 | -24.1 | 0 | 0 | 0 | 123.3 | | |
| 820 | R | 25.5 | Very low | 28.4 | Very low | 232 Ų | 232 | 145.3 Ų | 145.3 | 88% | 0.875 | 76% | 0.761 | S | S | * | * | | | trans | -104.7 | -178.4 | -169.7 | -110.3 | -168.5 | 178.4 | -175.8 | 3 | 111.5 | | |
| 821 | P | 37.4 | Very low | 28.5 | Very low | 119 Ų | 119 | 147.3 Ų | 147.3 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | | | cis | -131.7 | -177.9 | 15.4 | 34.3 | -12 | 0 | 0 | 0 | 117.2 | | |
| 822 | G | 22.2 | Very low | 27.8 | Very low | 63 Ų | 63 | 146.9 Ų | 146.9 | 65% | 0.649 | 75% | 0.752 | S | S | * | * | | | trans | -92.5 | -172 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 823 | P | 44.8 | Very low | 28.3 | Very low | 125 Ų | 125 | 150.2 Ų | 150.2 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | | | | -123.7 | 166.9 | 66.4 | 3.5 | 21.2 | 0 | 0 | 0 | 114.8 | | |
| 824 | R | 27.3 | Very low | 28.2 | Very low | 230 Ų | 230 | 144.8 Ų | 144.8 | 87% | 0.868 | 75% | 0.754 | S | S | * | * | | | | 41.5 | 139.6 | 89.8 | -75.7 | -173.6 | 180 | -174.5 | 0 | 114.9 | | |
| 825 | N | 25.8 | Very low | 28.2 | Very low | 149 Ų | 149 | 146.8 Ų | 146.8 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | | | cis | -146.7 | -167.2 | 31.8 | -133.3 | 0.7 | 0 | 0 | 0 | 115.4 | | |
| 826 | R | 27.3 | Very low | 28.8 | Very low | 209 Ų | 209 | 146 Ų | 146 | 79% | 0.789 | 75% | 0.752 | S | S | * | * | | | trans | -104.3 | 146.4 | -166.6 | -88.2 | -179.9 | 171.4 | 168.4 | -4.9 | 115.9 | | |
| 827 | N | 25.9 | Very low | 28.9 | Very low | 124 Ų | 124 | 150.6 Ų | 150.6 | 66% | 0.663 | 76% | 0.755 | S | S | * | * | | | trans | 61 | 155.1 | 132 | -60 | 10.8 | 0 | 0 | 0 | 124 | | |
| 828 | T | 25.4 | Very low | 29.1 | Very low | 120 Ų | 120 | 146.9 Ų | 146.9 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | | | trans | 77.9 | 124.4 | 137.1 | 37.9 | 0 | 0 | 0 | 0 | 123.6 | | |
| 829 | V | 23.3 | Very low | 29.2 | Very low | 130 Ų | 130 | 144.6 Ų | 144.6 | 79% | 0.788 | 75% | 0.753 | S | S | * | * | | | | 90.3 | 141.8 | 128.7 | 165.2 | 0 | 0 | 0 | 0 | 120.9 | | |
| 830 | S | 23.2 | Very low | 29.3 | Very low | 95 Ų | 95 | 145.3 Ų | 145.3 | 66% | 0.664 | 75% | 0.751 | S | S | * | * | | | trans | 66.2 | 133.7 | 172 | -106.9 | 0 | 0 | 0 | 0 | 117.5 | | |
| 831 | R | 28.5 | Very low | 29.2 | Very low | 223 Ų | 223 | 143.5 Ų | 143.5 | 84% | 0.842 | 75% | 0.75 | S | S | * | * | | | cis | 68.5 | 122.2 | 22.8 | -162.9 | -154 | 173.1 | 158.6 | 0.4 | 114.2 | | |
| 832 | N | 31.4 | Very low | 29.6 | Very low | 101 Ų | 101 | 142.8 Ų | 142.8 | 54% | 0.54 | 75% | 0.745 | S | S | . | * | | | trans | 144.7 | 149.9 | 151.9 | -78.9 | 13 | 0 | 0 | 0 | 110 | | |
| 833 | E | 35.6 | Very low | 29.9 | Very low | 171 Ų | 171 | 146.8 Ų | 146.8 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | | | cis | -160.3 | 175.1 | -6.7 | -123.2 | 154.6 | 179.5 | 0 | 0 | 112.8 | | |
| 834 | G | 26.9 | Very low | 29.1 | Very low | 58 Ų | 58 | 144.6 Ų | 144.6 | 60% | 0.598 | 75% | 0.749 | S | S | * | * | | | trans | 124.5 | 125.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 835 | F | 28.7 | Very low | 29.1 | Very low | 201 Ų | 201 | 142.2 Ų | 142.2 | 88% | 0.882 | 75% | 0.748 | S | S | * | * | | | cis | -148.1 | -178.2 | -6.6 | -104.3 | -78.5 | 0 | 0 | 0 | 111.1 | | |
| 836 | E | 34.9 | Very low | 29.2 | Very low | 133 Ų | 133 | 141.6 Ų | 141.6 | 62% | 0.621 | 75% | 0.749 | S | S | * | * | | | trans | -56 | 174.5 | -174.8 | -58.2 | 174.2 | -175.4 | 0 | 0 | 115.9 | | |
| 837 | R | 31 | Very low | 29 | Very low | 223 Ų | 223 | 141.8 Ų | 141.8 | 84% | 0.842 | 75% | 0.751 | S | S | * | * | | | cis | -159.4 | 176.3 | 30.4 | -159.8 | 166.6 | -85.9 | -174.1 | -7.3 | 114.2 | | |
| 838 | A | 29.5 | Very low | 30.5 | Very low | 92 Ų | 92 | 140.6 Ų | 140.6 | 76% | 0.76 | 75% | 0.751 | S | S | * | * | | | trans | -68.1 | -177.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 839 | A | 29.5 | Very low | 30.8 | Very low | 81 Ų | 81 | 141.2 Ų | 141.2 | 67% | 0.669 | 75% | 0.749 | S | S | * | * | | | cis | -163.7 | 162.3 | 20.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 840 | Q | 30.5 | Very low | 31 | Very low | 172 Ų | 172 | 140.7 Ų | 140.7 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | | | trans | 57.4 | 114.7 | 144.5 | -66 | 167.8 | 9.1 | 0 | 0 | 124.9 | | |
| 841 | F | 25.1 | Very low | 31.2 | Very low | 194 Ų | 194 | 144.4 Ų | 144.4 | 85% | 0.851 | 75% | 0.747 | S | S | * | * | | | | 40.9 | 166 | 122.3 | -64.4 | -58.6 | 0 | 0 | 0 | 124.9 | | |
| 842 | P | 44.8 | Very low | 31.2 | Very low | 105 Ų | 105 | 140.8 Ų | 140.8 | 68% | 0.682 | 74% | 0.744 | S | S | * | * | | | cis | -143 | -168.2 | -36.2 | 41.5 | -22.4 | 0 | 0 | 0 | 116.2 | | |
| 843 | V | 29 | Very low | 31.2 | Very low | 146 Ų | 146 | 144.4 Ų | 144.4 | 89% | 0.885 | 75% | 0.754 | S | S | * | * | | | trans | 74.2 | 153.7 | 162.5 | 168 | 0 | 0 | 0 | 0 | 116.6 | | |
| 844 | A | 27.8 | Very low | 30.9 | Very low | 79 Ų | 79 | 143.4 Ų | 143.4 | 65% | 0.653 | 75% | 0.75 | S | S | * | * | | | cis | -126.9 | -168.8 | 4.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 845 | E | 27.4 | Very low | 30.9 | Very low | 180 Ų | 180 | 146.4 Ų | 146.4 | 84% | 0.841 | 75% | 0.752 | S | S | * | * | | | cis | 76.1 | 148 | 14.7 | -49.6 | -157.1 | 78.1 | 0 | 0 | 117.8 | | |
| 846 | V | 28.3 | Very low | 30.9 | Very low | 137 Ų | 137 | 145.7 Ų | 145.7 | 83% | 0.83 | 75% | 0.752 | S | S | * | * | | | cis | -133.1 | 163.7 | 16.8 | 176.3 | 0 | 0 | 0 | 0 | 113 | | |
| 847 | Y | 23.2 | Very low | 31.9 | Very low | 212 Ų | 212 | 144.4 Ų | 144.4 | 83% | 0.831 | 75% | 0.754 | S | S | * | * | | | trans | -73.4 | -171.2 | 174.5 | -87 | -72.8 | 0 | 0 | 0 | 115.8 | | |
| 848 | P | 56.1 | Low | 31.5 | Very low | 100 Ų | 100 | 143.1 Ų | 143.1 | 65% | 0.649 | 76% | 0.761 | S | S | * | * | | | cis | -138.3 | -176.7 | -35.4 | 35.9 | -16.4 | 0 | 0 | 0 | 115.7 | | |
| 849 | N | 31.1 | Very low | 31.5 | Very low | 132 Ų | 132 | 142.9 Ų | 142.9 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | | | trans | 70.5 | 132.2 | 140.4 | -83.3 | 33 | 0 | 0 | 0 | 125.9 | | |
| 850 | D | 28.5 | Very low | 31.5 | Very low | 120 Ų | 120 | 147.7 Ų | 147.7 | 64% | 0.642 | 77% | 0.767 | S | S | * | * | | | | 92.3 | 139.5 | 124.9 | -79.1 | -31.4 | 0 | 0 | 0 | 127 | | |
| 851 | F | 27.3 | Very low | 31.5 | Very low | 173 Ų | 173 | 147.5 Ų | 147.5 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | | | trans | 67.2 | 135 | 145.9 | -80.5 | -59 | 0 | 0 | 0 | 125.9 | | |
| 852 | L | 28.5 | Very low | 31.9 | Very low | 147 Ų | 147 | 146.6 Ų | 146.6 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | | | trans | 89.7 | 145.1 | 138.4 | -83 | 167.8 | 0 | 0 | 0 | 123 | | |
| 853 | K | 31.4 | Very low | 31.1 | Very low | 177 Ų | 177 | 149.7 Ų | 149.7 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | | | trans | -67.1 | 172.5 | 170.7 | -45.7 | 162.3 | 176.7 | 169.3 | 0 | 108.8 | | |
| 854 | Q | 29.7 | Very low | 31.4 | Very low | 150 Ų | 150 | 148.8 Ų | 148.8 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | | | | 179.8 | 172.7 | 52.9 | -139.5 | -179.2 | -60.6 | 0 | 0 | 112.2 | | |
| 855 | N | 27.7 | Very low | 31.9 | Very low | 121 Ų | 121 | 153.4 Ų | 153.4 | 65% | 0.647 | 78% | 0.781 | S | S | * | * | | | trans | 63 | 100.8 | 149.8 | -61.3 | -19.1 | 0 | 0 | 0 | 123 | | |
| 856 | Q | 27.2 | Very low | 31.9 | Very low | 186 Ų | 186 | 156 Ų | 156 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | | | | 63.2 | -173.7 | 107.7 | -123.5 | -167 | 30 | 0 | 0 | 119.4 | | |
| 857 | P | 56.5 | Low | 32.1 | Very low | 105 Ų | 105 | 154 Ų | 154 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | | | | -122.7 | 166.9 | -120.5 | 42.4 | -26.2 | 0 | 0 | 0 | 116.2 | | |
| 858 | M | 23.2 | Very low | 32.6 | Very low | 197 Ų | 197 | 153.1 Ų | 153.1 | 97% | 0.97 | 77% | 0.774 | S | S | * | * | | | trans | -150.6 | 174.6 | 156.3 | -130.3 | 178.3 | -179.3 | 0 | 0 | 111.8 | | |
| 859 | A | 29.7 | Very low | 31.8 | Very low | 87 Ų | 87 | 157 Ų | 157 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | | | trans | -137.9 | 174.6 | -162 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 860 | Q | 29.5 | Very low | 32.3 | Very low | 182 Ų | 182 | 153.6 Ų | 153.6 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | | | trans | 78.8 | 124.1 | 153.2 | -157.7 | 176.3 | 1.5 | 0 | 0 | 118.1 | | |
| 861 | I | 29.6 | Very low | 33.2 | Very low | 167 Ų | 167 | 156.1 Ų | 156.1 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | | | | 177.1 | 161.5 | 122.3 | -89.4 | 162.7 | 0 | 0 | 0 | 110.2 | | |
| 862 | Q | 32.9 | Very low | 34.4 | Very low | 176 Ų | 176 | 154.4 Ų | 154.4 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | | | trans | -77.4 | 164.1 | -165.8 | -153.5 | 77.9 | 1.9 | 0 | 0 | 115 | | |
| 863 | M | 29.1 | Very low | 35.3 | Very low | 169 Ų | 169 | 155.7 Ų | 155.7 | 83% | 0.833 | 80% | 0.798 | S | S | * | * | | | trans | -55.9 | 163.4 | 174.7 | -58.1 | -65.9 | -140.7 | 0 | 0 | 115.1 | | |
| 864 | P | 35.4 | Very low | 37 | Very low | 128 Ų | 128 | 150.5 Ų | 150.5 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | | | | -127.3 | 165.9 | 106.1 | 38.3 | -34.5 | 0 | 0 | 0 | 114.6 | | |
| 865 | E | 38.1 | Very low | 39.4 | Very low | 176 Ų | 176 | 146.4 Ų | 146.4 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | | | trans | -95.1 | 135.3 | -168.1 | 179.6 | -176.9 | 174.2 | 0 | 0 | 113.9 | | |
| 866 | R | 26.6 | Very low | 41.7 | Very low | 233 Ų | 233 | 147 Ų | 147 | 88% | 0.879 | 77% | 0.768 | S | S | * | * | | | trans | -159.9 | 110.9 | 141.3 | -137.3 | -176.6 | -63.4 | 167.2 | 1 | 113.7 | | |
| 867 | V | 33.5 | Very low | 43.9 | Very low | 95 Ų | 95 | 143 Ų | 143 | 58% | 0.576 | 75% | 0.75 | S | S | * | * | | | trans | 13.8 | 106.6 | 151.3 | -173.1 | 0 | 0 | 0 | 0 | 117.4 | E869 | V867-E869 HydrophobicContact CG1-CB 4.23Å; V867-E869 HydrophobicContact CG1-CG 4.04Å |
| 868 | Q | 32 | Very low | 45.3 | Very low | 194 Ų | 194 | 142.5 Ų | 142.5 | 91% | 0.907 | 74% | 0.738 | S | S | * | * | | | trans | -120.6 | 83.1 | 138.6 | -78.7 | -166.8 | -12.3 | 0 | 0 | 108.4 | G870 | Q868-G870 PolarHBondContact O-N 3.22Š|
| 869 | E | 40 | Very low | 48.4 | Very low | 183 Ų | 183 | 136.2 Ų | 136.2 | 86% | 0.855 | 71% | 0.708 | S | S | * | * | | | trans | -71.6 | 122.4 | 166.4 | -78.8 | 177.5 | 133.6 | 0 | 0 | 109.6 | V867 | V867-E869 HydrophobicContact CG1-CB 4.23Å; V867-E869 HydrophobicContact CG1-CG 4.04Å |
| 870 | G | 42.7 | Very low | 51.2 | Low | 59 Ų | 59 | 136.9 Ų | 136.9 | 61% | 0.608 | 70% | 0.695 | S | S | * | * | S | Bend | trans | 136.2 | 123.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | Q868 | Q868-G870 PolarHBondContact O-N 3.22Š|
| 871 | I | 47.1 | Very low | 54 | Low | 173 Ų | 173 | 132.3 Ų | 132.3 | 89% | 0.887 | 68% | 0.676 | S | S | * | * | S | Bend | trans | 62.9 | 56.7 | 166.5 | -33.4 | 169.6 | 0 | 0 | 0 | 115.1 | | |
| 872 | N | 52.4 | Low | 56.8 | Low | 138 Ų | 138 | 128.9 Ų | 128.9 | 74% | 0.738 | 66% | 0.657 | S | S | * | * | | | trans | -153.1 | 17.1 | 159.7 | -106.7 | -31.9 | 0 | 0 | 0 | 116.7 | L874 | N872-L874 PolarHBondContact O-N 3.4Š|
| 873 | N | 47.8 | Very low | 59.4 | Low | 173 Ų | 173 | 126.4 Ų | 126.4 | 93% | 0.925 | 65% | 0.649 | S | S | * | * | | | trans | -81.2 | 54 | 176.6 | -71.6 | -7.4 | 0 | 0 | 0 | 112.6 | | |
| 874 | L | 66.9 | Low | 62.3 | Low | 69 Ų | 69 | 121.6 Ų | 121.6 | 36% | 0.361 | 63% | 0.632 | S | S | . | * | | | trans | -84 | 134.7 | 167.1 | -69.1 | 177 | 0 | 0 | 0 | 109.8 | N872 E878 N879 M882 | N872-L874 PolarHBondContact O-N 3.4Å; L874-E878 HydrophobicContact CB-CB 4.19Å; L874-E878 HydrophobicContact CD2-CB 4.22Å; L874-N879 PolarHBondContact O-ND2 3.07Å; L874-M882 HydrophobicContact CD1-SD 3.58Å; L874-M882 VanDerWaalsContact CD1-SD 3.58Å |
| 875 | S | 78.8 | Confident | 64.9 | Low | 64 Ų | 64 | 119.9 Ų | 119.9 | 45% | 0.448 | 62% | 0.615 | S | S | . | * | | | trans | -57.3 | 154.6 | 173 | 178.6 | 0 | 0 | 0 | 0 | 111.6 | E877 E878 N879 | S875-E877 PolarHBondContact O-N 3.43Å; S875-E877 VanDerWaalsContact O-N 3.12Å; S875-E877 PolarHBondContact OG-N 3.37Å; S875-E878 WeakPolarHBondContact CB-OE2 3.3Å; S875-E878 PolarHBondContact N-OE2 3Å; S875-E878 PolarHBondContact O-N 2.87Å; S875-N879 PolarHBondContact O-N 3.41Å; S875-N879 PolarHBondContact O-ND2 3.5Å |
| 876 | L | 77.4 | Confident | 67.3 | Low | 133 Ų | 133 | 115.7 Ų | 115.7 | 70% | 0.696 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -50.7 | -36.4 | 171.3 | -171.5 | 88.9 | 0 | 0 | 0 | 111.4 | K880 | L876-K880 WeakPolarHBondContact O-CG 3.33Å; L876-K880 PolarHBondContact O-N 2.86Å |
| 877 | E | 73.4 | Confident | 70.3 | Confident | 102 Ų | 102 | 112.6 Ų | 112.6 | 48% | 0.477 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -76.5 | -34.5 | 179.2 | -155.9 | 60.8 | -153 | 0 | 0 | 112.7 | S875 K880 I881 | S875-E877 PolarHBondContact O-N 3.43Å; S875-E877 VanDerWaalsContact O-N 3.12Å; S875-E877 PolarHBondContact OG-N 3.37Å; E877-K880 WeakPolarHBondContact O-CB 3.44Å; E877-K880 PolarHBondContact O-N 3.15Å; E877-K880 WeakPolarHBondContact OE2-CD 3.46Å; E877-K880 WeakPolarHBondContact OE2-CE 3.46Å; E877-K880 IonicContact OE2-NZ 3.64Å; E877-K880 PolarHBondContact OE2-NZ 3.26Å; E877-I881 WeakPolarHBondContact O-CD1 3.48Å; E877-I881 VanDerWaalsContact O-CG1 3.24Å; E877-I881 WeakPolarHBondContact O-CG1 3.32Å; E877-I881 PolarHBondContact O-N 3.47Å |
| 878 | E | 84.7 | Confident | 73.1 | Confident | 94 Ų | 94 | 112.7 Ų | 112.7 | 44% | 0.439 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -69.1 | -38 | 176.4 | -67.8 | 170.1 | 137.8 | 0 | 0 | 111.1 | L874 S875 I881 M882 | L874-E878 HydrophobicContact CB-CB 4.19Å; L874-E878 HydrophobicContact CD2-CB 4.22Å; S875-E878 WeakPolarHBondContact CB-OE2 3.3Å; S875-E878 PolarHBondContact N-OE2 3Å; S875-E878 PolarHBondContact O-N 2.87Å; E878-I881 WeakPolarHBondContact O-CB 3.49Å; E878-I881 PolarHBondContact O-N 2.84Å; E878-M882 PolarHBondContact O-N 3.13Å |
| 879 | N | 88.3 | Confident | 75.8 | Confident | 65 Ų | 65 | 107.8 Ų | 107.8 | 35% | 0.348 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.9 | -41.6 | 170.7 | -75.5 | -62.7 | 0 | 0 | 0 | 112.3 | L874 S875 I881 M882 L883 | L874-N879 PolarHBondContact O-ND2 3.07Å; S875-N879 PolarHBondContact O-N 3.41Å; S875-N879 PolarHBondContact O-ND2 3.5Å; N879-I881 VanDerWaalsContact C-N 3.34Å; N879-M882 PolarHBondContact O-N 3.27Å; N879-L883 WeakPolarHBondContact O-CB 3.45Å; N879-L883 WeakPolarHBondContact O-CG 3.36Å; N879-L883 PolarHBondContact O-N 2.9Å |
| 880 | K | 88.3 | Confident | 78 | Confident | 102 Ų | 102 | 105.2 Ų | 105.2 | 44% | 0.443 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.1 | -41 | 171.4 | -71 | 175 | -150.7 | 161.6 | 0 | 111.9 | L876 E877 L883 S884 | L876-K880 WeakPolarHBondContact O-CG 3.33Å; L876-K880 PolarHBondContact O-N 2.86Å; E877-K880 WeakPolarHBondContact O-CB 3.44Å; E877-K880 PolarHBondContact O-N 3.15Å; E877-K880 WeakPolarHBondContact OE2-CD 3.46Å; E877-K880 WeakPolarHBondContact OE2-CE 3.46Å; E877-K880 IonicContact OE2-NZ 3.64Å; E877-K880 PolarHBondContact OE2-NZ 3.26Å; K880-L883 PolarHBondContact O-N 3.31Å; K880-S884 WeakPolarHBondContact O-CB 3.09Å; K880-S884 PolarHBondContact O-N 3.37Å |
| 881 | I | 89.3 | Confident | 80.2 | Confident | 86 Ų | 86 | 107.1 Ų | 107.1 | 44% | 0.441 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.5 | -47.5 | 177.3 | -71.8 | 162.4 | 0 | 0 | 0 | 110.1 | E877 E878 N879 S884 L885 | E877-I881 WeakPolarHBondContact O-CD1 3.48Å; E877-I881 VanDerWaalsContact O-CG1 3.24Å; E877-I881 WeakPolarHBondContact O-CG1 3.32Å; E877-I881 PolarHBondContact O-N 3.47Å; E878-I881 WeakPolarHBondContact O-CB 3.49Å; E878-I881 PolarHBondContact O-N 2.84Å; N879-I881 VanDerWaalsContact C-N 3.34Å; I881-S884 PolarHBondContact O-N 3.19Å; I881-S884 PolarHBondContact O-OG 3.45Å; I881-L885 HydrophobicContact CG2-CD1 3.91Å; I881-L885 HydrophobicContact CG2-CG 4.49Å; I881-L885 WeakPolarHBondContact O-CG 3.45Å; I881-L885 PolarHBondContact O-N 2.89Å |
| 882 | M | 89.1 | Confident | 81.8 | Confident | 95 Ų | 95 | 104 Ų | 104 | 47% | 0.468 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.6 | -51 | 174.6 | -80.8 | -173.4 | 57.6 | 0 | 0 | 112.5 | L874 E878 N879 S884 L885 D886 | L874-M882 HydrophobicContact CD1-SD 3.58Å; L874-M882 VanDerWaalsContact CD1-SD 3.58Å; E878-M882 PolarHBondContact O-N 3.13Å; N879-M882 PolarHBondContact O-N 3.27Å; M882-S884 PolarHBondContact O-N 2.76Å; M882-L885 WeakPolarHBondContact O-CB 3.35Å; M882-L885 PolarHBondContact O-N 3.04Å; M882-D886 PolarHBondContact O-N 3.48Å |
| 883 | L | 86.4 | Confident | 83 | Confident | 124 Ų | 124 | 102.7 Ų | 102.7 | 65% | 0.649 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.7 | -33 | 177.1 | -69.4 | 169.4 | 0 | 0 | 0 | 112.5 | N879 K880 R887 | N879-L883 WeakPolarHBondContact O-CB 3.45Å; N879-L883 WeakPolarHBondContact O-CG 3.36Å; N879-L883 PolarHBondContact O-N 2.9Å; K880-L883 PolarHBondContact O-N 3.31Å; L883-R887 VanDerWaalsContact O-CB 3.3Å; L883-R887 WeakPolarHBondContact O-CB 3.34Å; L883-R887 PolarHBondContact O-N 3.03Å; L883-R887 VanDerWaalsContact O-N 3.11Å |
| 884 | S | 89.4 | Confident | 84.1 | Confident | 68 Ų | 68 | 97.5 Ų | 97.5 | 48% | 0.476 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.2 | -38.7 | 173.9 | 83.7 | 0 | 0 | 0 | 0 | 112.6 | K880 I881 M882 L888 | K880-S884 WeakPolarHBondContact O-CB 3.09Å; K880-S884 PolarHBondContact O-N 3.37Å; I881-S884 PolarHBondContact O-N 3.19Å; I881-S884 PolarHBondContact O-OG 3.45Å; M882-S884 PolarHBondContact O-N 2.76Å; S884-L888 WeakPolarHBondContact O-CB 3.45Å; S884-L888 PolarHBondContact O-N 3.02Å |
| 885 | L | 90.4 | Very high | 84.3 | Confident | 91 Ų | 91 | 99.4 Ų | 99.4 | 48% | 0.476 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.5 | -43 | 177.9 | -74.4 | 167.7 | 0 | 0 | 0 | 111.3 | I881 M882 L888 N889 | I881-L885 HydrophobicContact CG2-CD1 3.91Å; I881-L885 HydrophobicContact CG2-CG 4.49Å; I881-L885 WeakPolarHBondContact O-CG 3.45Å; I881-L885 PolarHBondContact O-N 2.89Å; M882-L885 WeakPolarHBondContact O-CB 3.35Å; M882-L885 PolarHBondContact O-N 3.04Å; L885-L888 PolarHBondContact O-N 3.34Å; L885-N889 WeakPolarHBondContact O-CB 3.48Å; L885-N889 VanDerWaalsContact O-CG 3.26Å; L885-N889 PolarHBondContact O-N 3.24Å; L885-N889 PolarHBondContact O-ND2 3.38Å |
| 886 | D | 88.5 | Confident | 83.8 | Confident | 89 Ų | 89 | 104 Ų | 104 | 48% | 0.476 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 176.2 | -73.9 | -29.6 | 0 | 0 | 0 | 111.7 | M882 L888 N889 H890 | M882-D886 PolarHBondContact O-N 3.48Å; D886-L888 VanDerWaalsContact C-N 3.31Å; D886-L888 PolarHBondContact O-N 3.44Å; D886-N889 PolarHBondContact O-N 2.81Å; D886-H890 WeakPolarHBondContact O-CB 3.44Å; D886-H890 PolarHBondContact O-N 3.49Å |
| 887 | R | 90.1 | Very high | 83 | Confident | 168 Ų | 168 | 101 Ų | 101 | 63% | 0.634 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.1 | -40.4 | 172.1 | -174.2 | 174.8 | -177.5 | -88.6 | 5.7 | 112 | L883 H890 Q891 | L883-R887 VanDerWaalsContact O-CB 3.3Å; L883-R887 WeakPolarHBondContact O-CB 3.34Å; L883-R887 PolarHBondContact O-N 3.03Å; L883-R887 VanDerWaalsContact O-N 3.11Å; R887-H890 PolarHBondContact O-N 3.1Å; R887-Q891 WeakPolarHBondContact O-CG 3.5Å; R887-Q891 PolarHBondContact O-N 3.29Å |
| 888 | L | 91.7 | Very high | 82.1 | Confident | 97 Ų | 97 | 103.1 Ų | 103.1 | 51% | 0.508 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71.8 | -39.7 | 178.6 | -160 | 156 | 0 | 0 | 0 | 111.5 | S884 L885 D886 H890 Q891 L892 | S884-L888 WeakPolarHBondContact O-CB 3.45Å; S884-L888 PolarHBondContact O-N 3.02Å; L885-L888 PolarHBondContact O-N 3.34Å; D886-L888 VanDerWaalsContact C-N 3.31Å; D886-L888 PolarHBondContact O-N 3.44Å; L888-H890 VanDerWaalsContact C-N 3.34Å; L888-H890 PolarHBondContact O-N 3.44Å; L888-Q891 PolarHBondContact O-N 3.11Å; L888-L892 WeakPolarHBondContact O-CB 3.31Å; L888-L892 PolarHBondContact O-N 3.44Å |
| 889 | N | 88.4 | Confident | 80.4 | Confident | 90 Ų | 90 | 108.6 Ų | 108.6 | 48% | 0.481 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 171.6 | -76.6 | -30 | 0 | 0 | 0 | 111.5 | L885 D886 L892 H893 | L885-N889 WeakPolarHBondContact O-CB 3.48Å; L885-N889 VanDerWaalsContact O-CG 3.26Å; L885-N889 PolarHBondContact O-N 3.24Å; L885-N889 PolarHBondContact O-ND2 3.38Å; D886-N889 PolarHBondContact O-N 2.81Å; N889-L892 PolarHBondContact O-N 3.32Å; N889-H893 WeakPolarHBondContact O-CB 3.23Å; N889-H893 PolarHBondContact O-N 3.07Å |
| 890 | H | 87.4 | Confident | 78.3 | Confident | 130 Ų | 130 | 114.5 Ų | 114.5 | 60% | 0.602 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.3 | -43.5 | 175.9 | -137.3 | 99.5 | 0 | 0 | 0 | 111.5 | D886 R887 L888 L892 H893 C894 | D886-H890 WeakPolarHBondContact O-CB 3.44Å; D886-H890 PolarHBondContact O-N 3.49Å; R887-H890 PolarHBondContact O-N 3.1Å; L888-H890 VanDerWaalsContact C-N 3.34Å; L888-H890 PolarHBondContact O-N 3.44Å; H890-L892 PolarHBondContact O-N 3.2Å; H890-H893 PolarHBondContact O-N 3.24Å; H890-C894 PolarHBondContact O-N 3.23Å; H890-C894 PolarHBondContact O-SG 3.41Å; H890-C894 VanDerWaalsContact O-SG 3.32Å |
| 891 | Q | 88.1 | Confident | 76.1 | Confident | 98 Ų | 98 | 112.5 Ų | 112.5 | 46% | 0.458 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.7 | -42 | 173.1 | -73.5 | -179.2 | -36.5 | 0 | 0 | 112.1 | R887 L888 H893 C894 L895 | R887-Q891 WeakPolarHBondContact O-CG 3.5Å; R887-Q891 PolarHBondContact O-N 3.29Å; L888-Q891 PolarHBondContact O-N 3.11Å; Q891-H893 VanDerWaalsContact C-N 3.34Å; Q891-C894 PolarHBondContact O-N 3.2Å; Q891-L895 WeakPolarHBondContact O-CG 3.44Å; Q891-L895 PolarHBondContact O-N 2.97Å |
| 892 | L | 82.1 | Confident | 74.1 | Confident | 108 Ų | 108 | 116.8 Ų | 116.8 | 57% | 0.565 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.3 | -38.1 | 176.8 | -157.5 | 79.1 | 0 | 0 | 0 | 111.6 | L888 N889 H890 L895 K896 | L888-L892 WeakPolarHBondContact O-CB 3.31Å; L888-L892 PolarHBondContact O-N 3.44Å; N889-L892 PolarHBondContact O-N 3.32Å; H890-L892 PolarHBondContact O-N 3.2Å; L892-L895 PolarHBondContact O-N 3.01Å; L892-K896 WeakPolarHBondContact O-CB 3.38Å; L892-K896 PolarHBondContact O-N 3.02Å |
| 893 | H | 75.9 | Confident | 72 | Confident | 111 Ų | 111 | 117.4 Ų | 117.4 | 51% | 0.514 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.4 | -47.7 | 175.1 | -174.4 | -107.5 | 0 | 0 | 0 | 111.6 | N889 H890 Q891 L895 K896 T897 | N889-H893 WeakPolarHBondContact O-CB 3.23Å; N889-H893 PolarHBondContact O-N 3.07Å; H890-H893 PolarHBondContact O-N 3.24Å; Q891-H893 VanDerWaalsContact C-N 3.34Å; H893-L895 VanDerWaalsContact C-N 3.32Å; H893-L895 PolarHBondContact O-N 3.49Å; H893-K896 WeakPolarHBondContact O-CA 3.14Å; H893-K896 WeakPolarHBondContact O-CB 3.44Å; H893-K896 PolarHBondContact O-N 2.83Å; H893-T897 PolarHBondContact O-N 2.89Å; H893-T897 PolarHBondContact O-OG1 3.07Å |
| 894 | C | 71.6 | Confident | 70 | Confident | 63 Ų | 63 | 117.1 Ų | 117.1 | 43% | 0.426 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -59.5 | -39.7 | 175.2 | -68.5 | 0 | 0 | 0 | 0 | 112.5 | H890 Q891 K896 T897 Q898 | H890-C894 PolarHBondContact O-N 3.23Å; H890-C894 PolarHBondContact O-SG 3.41Å; H890-C894 VanDerWaalsContact O-SG 3.32Å; Q891-C894 PolarHBondContact O-N 3.2Å; C894-K896 VanDerWaalsContact C-N 3.31Å; C894-K896 PolarHBondContact O-N 3.46Å; C894-T897 PolarHBondContact O-OG1 3.42Å; C894-T897 VanDerWaalsContact O-OG1 3.05Å; C894-Q898 WeakPolarHBondContact O-CB 3.31Å; C894-Q898 PolarHBondContact O-N 3.08Å |
| 895 | L | 70.9 | Confident | 67.8 | Low | 110 Ų | 110 | 120.2 Ų | 120.2 | 58% | 0.576 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -67.5 | -30.8 | 173.7 | -70.3 | 169.9 | 0 | 0 | 0 | 112.7 | Q891 L892 H893 R899 | Q891-L895 WeakPolarHBondContact O-CG 3.44Å; Q891-L895 PolarHBondContact O-N 2.97Å; L892-L895 PolarHBondContact O-N 3.01Å; H893-L895 VanDerWaalsContact C-N 3.32Å; H893-L895 PolarHBondContact O-N 3.49Å; L895-R899 WeakPolarHBondContact O-CB 3.44Å; L895-R899 PolarHBondContact O-N 3.19Å; L895-R899 VanDerWaalsContact O-N 3.17Å |
| 896 | K | 69.2 | Low | 65.2 | Low | 160 Ų | 160 | 123.9 Ų | 123.9 | 70% | 0.696 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -74.7 | -40.5 | 178 | -166.2 | 176.2 | -176.9 | -179.2 | 0 | 112 | L892 H893 C894 R900 | L892-K896 WeakPolarHBondContact O-CB 3.38Å; L892-K896 PolarHBondContact O-N 3.02Å; H893-K896 WeakPolarHBondContact O-CA 3.14Å; H893-K896 WeakPolarHBondContact O-CB 3.44Å; H893-K896 PolarHBondContact O-N 2.83Å; C894-K896 VanDerWaalsContact C-N 3.31Å; C894-K896 PolarHBondContact O-N 3.46Å; K896-R900 PolarHBondContact O-N 3.11Å |
| 897 | T | 59.6 | Low | 62.7 | Low | 71 Ų | 71 | 122.8 Ų | 122.8 | 44% | 0.436 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -69.8 | -43.6 | 173.7 | 56 | 0 | 0 | 0 | 0 | 111.4 | H893 C894 R899 R900 G901 | H893-T897 PolarHBondContact O-N 2.89Å; H893-T897 PolarHBondContact O-OG1 3.07Å; C894-T897 PolarHBondContact O-OG1 3.42Å; C894-T897 VanDerWaalsContact O-OG1 3.05Å; T897-R899 PolarHBondContact O-N 3.35Å; T897-R900 PolarHBondContact O-N 3Å; T897-G901 PolarHBondContact O-N 3.32Å |
| 898 | Q | 54.7 | Low | 60.1 | Low | 146 Ų | 146 | 123.4 Ų | 123.4 | 68% | 0.682 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -66.9 | -19.8 | 178.5 | -163.9 | 173.7 | 56.4 | 0 | 0 | 113.5 | C894 | C894-Q898 WeakPolarHBondContact O-CB 3.31Å; C894-Q898 PolarHBondContact O-N 3.08Å |
| 899 | R | 48.5 | Very low | 57.2 | Low | 209 Ų | 209 | 125.9 Ų | 125.9 | 79% | 0.789 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -82.2 | -28.8 | 168.3 | -165.8 | -174.8 | -78.7 | -159.1 | -1.2 | 113 | L895 T897 | L895-R899 WeakPolarHBondContact O-CB 3.44Å; L895-R899 PolarHBondContact O-N 3.19Å; L895-R899 VanDerWaalsContact O-N 3.17Å; T897-R899 PolarHBondContact O-N 3.35Å |
| 900 | R | 44.1 | Very low | 54.7 | Low | 189 Ų | 189 | 126.8 Ų | 126.8 | 71% | 0.713 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -76.3 | -43.7 | 176.4 | -178.4 | -178.8 | -81.5 | -98.4 | 6.3 | 112 | K896 T897 K902 T903 | K896-R900 PolarHBondContact O-N 3.11Å; T897-R900 PolarHBondContact O-N 3Å; R900-K902 PolarHBondContact O-N 3.09Å; R900-T903 PolarHBondContact O-N 3Å; R900-T903 PolarHBondContact O-OG1 3.31Å; R900-T903 VanDerWaalsContact O-OG1 3.08Å |
| 901 | G | 43 | Very low | 51.8 | Low | 59 Ų | 59 | 127.1 Ų | 127.1 | 61% | 0.608 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 19.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | T897 | T897-G901 PolarHBondContact O-N 3.32Š|
| 902 | K | 46.3 | Very low | 48.9 | Very low | 177 Ų | 177 | 127.7 Ų | 127.7 | 77% | 0.77 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131 | 2.7 | -174.3 | -144 | 171 | -171.3 | 171.2 | 0 | 114.1 | R900 | R900-K902 PolarHBondContact O-N 3.09Š|
| 903 | T | 46.1 | Very low | 46.8 | Very low | 108 Ų | 108 | 128.4 Ų | 128.4 | 66% | 0.663 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -99.8 | -21.5 | 173.9 | 42.1 | 0 | 0 | 0 | 0 | 113.5 | R900 | R900-T903 PolarHBondContact O-N 3Å; R900-T903 PolarHBondContact O-OG1 3.31Å; R900-T903 VanDerWaalsContact O-OG1 3.08Å |
| 904 | D | 44.3 | Very low | 44.8 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 63% | 0.626 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -98.2 | -14.2 | -160.4 | -53.9 | -3.1 | 0 | 0 | 0 | 112.2 | | |
| 905 | N | 43.8 | Very low | 42.8 | Very low | 133 Ų | 133 | 133.6 Ų | 133.6 | 71% | 0.711 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -112.8 | 90.8 | 179.9 | -68.2 | -13.4 | 0 | 0 | 0 | 111.2 | | |
| 906 | N | 35.2 | Very low | 40.7 | Very low | 169 Ų | 169 | 134.3 Ų | 134.3 | 90% | 0.904 | 74% | 0.735 | S | S | * | * | | | trans | 173.1 | 75.3 | 143.4 | -90.4 | -7 | 0 | 0 | 0 | 110.7 | | |
| 907 | G | 35.2 | Very low | 39 | Very low | 66 Ų | 66 | 131.8 Ų | 131.8 | 68% | 0.68 | 73% | 0.733 | S | S | * | * | | | trans | -83.9 | 152.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 908 | H | 35.7 | Very low | 37.4 | Very low | 180 Ų | 180 | 137 Ų | 137 | 83% | 0.833 | 75% | 0.753 | S | S | * | * | | | trans | 55.4 | 102 | 164.2 | -57.3 | -75 | 0 | 0 | 0 | 119.5 | | |
| 909 | T | 31.8 | Very low | 36.1 | Very low | 149 Ų | 149 | 134 Ų | 134 | 91% | 0.914 | 75% | 0.748 | S | S | * | * | | | | -140.1 | 148.7 | 122.8 | -43 | 0 | 0 | 0 | 0 | 109.4 | | |
| 910 | T | 34.3 | Very low | 35.1 | Very low | 109 Ų | 109 | 130.7 Ų | 130.7 | 67% | 0.669 | 75% | 0.745 | S | S | * | * | | | trans | -109.1 | 147.5 | -164.4 | 47.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 911 | V | 28.2 | Very low | 34.4 | Very low | 137 Ų | 137 | 127.4 Ų | 127.4 | 83% | 0.83 | 74% | 0.742 | S | S | * | * | | | trans | 69.3 | 146 | 149.5 | 168.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 912 | C | 27 | Very low | 33.9 | Very low | 110 Ų | 110 | 133.2 Ų | 133.2 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | | | cis | -139.8 | 158.1 | 13.3 | -151.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 913 | T | 36.7 | Very low | 33.2 | Very low | 123 Ų | 123 | 133.3 Ų | 133.3 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | | | trans | -92.4 | 153.9 | 153.6 | 38.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 914 | P | 34.7 | Very low | 32.4 | Very low | 131 Ų | 131 | 136.7 Ų | 136.7 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | | | trans | -116.8 | 162.9 | 137.4 | 34.5 | -30.8 | 0 | 0 | 0 | 111.9 | | |
| 915 | L | 29.8 | Very low | 31.7 | Very low | 153 Ų | 153 | 139.2 Ų | 139.2 | 80% | 0.801 | 77% | 0.77 | S | S | * | * | | | trans | -130.4 | 129.1 | -168.2 | 170.6 | 77.9 | 0 | 0 | 0 | 110.6 | | |
| 916 | T | 26.9 | Very low | 30.8 | Very low | 124 Ų | 124 | 136.7 Ų | 136.7 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | | | trans | -148.4 | 125.3 | 153 | 44.7 | 0 | 0 | 0 | 0 | 106.2 | | |
| 917 | T | 33.3 | Very low | 30.5 | Very low | 107 Ų | 107 | 133.8 Ų | 133.8 | 66% | 0.656 | 76% | 0.761 | S | S | * | * | | | | 49.5 | 119.6 | 67.4 | 67.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 918 | E | 25.1 | Very low | 30.3 | Very low | 182 Ų | 182 | 135.8 Ų | 135.8 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | | | cis | -148 | -162.7 | 39.8 | -68.9 | 177.3 | 178.6 | 0 | 0 | 110.3 | | |
| 919 | S | 28 | Very low | 30.1 | Very low | 82 Ų | 82 | 131.3 Ų | 131.3 | 57% | 0.573 | 76% | 0.758 | S | S | * | * | | | | -160 | 156.6 | -66 | 74.3 | 0 | 0 | 0 | 0 | 107.1 | | |
| 920 | N | 28.9 | Very low | 30 | Very low | 139 Ų | 139 | 131.1 Ų | 131.1 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | | | trans | 52.3 | 149.2 | 151.8 | -66.5 | -42.3 | 0 | 0 | 0 | 121.6 | | |
| 921 | N | 29 | Very low | 29.8 | Very low | 120 Ų | 120 | 133 Ų | 133 | 64% | 0.642 | 76% | 0.756 | S | S | * | * | | | cis | -166.7 | -167.4 | -28.1 | -136 | -56.5 | 0 | 0 | 0 | 108 | | |
| 922 | H | 31.3 | Very low | 30 | Very low | 182 Ų | 182 | 132.8 Ų | 132.8 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | | | trans | 79.2 | 119.8 | 178.9 | -51 | 7.9 | 0 | 0 | 0 | 114.6 | | |
| 923 | K | 31.8 | Very low | 30.2 | Very low | 178 Ų | 178 | 134 Ų | 134 | 77% | 0.774 | 75% | 0.745 | S | S | * | * | | | cis | 86.4 | 77.8 | 2.8 | -157.5 | -165.4 | 176.9 | -175.8 | 0 | 119.1 | | |
| 924 | Q | 30 | Very low | 30 | Very low | 180 Ų | 180 | 139 Ų | 139 | 84% | 0.841 | 75% | 0.751 | S | S | * | * | | | trans | -142.6 | 149.3 | 131.5 | -58.8 | -165.5 | -0.6 | 0 | 0 | 106.4 | | |
| 925 | Q | 28.2 | Very low | 30.1 | Very low | 169 Ų | 169 | 140.7 Ų | 140.7 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | | | cis | 64.8 | 138.1 | 39.9 | -71.8 | -173.8 | -60.3 | 0 | 0 | 113.9 | | |
| 926 | A | 26.7 | Very low | 30.4 | Very low | 80 Ų | 80 | 143.3 Ų | 143.3 | 66% | 0.661 | 75% | 0.753 | S | S | * | * | | | cis | -165 | 167 | -16.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 927 | S | 28.6 | Very low | 31.2 | Very low | 109 Ų | 109 | 146.6 Ų | 146.6 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | | | trans | 62.6 | 148.8 | 166.3 | -64.8 | 0 | 0 | 0 | 0 | 117.2 | | |
| 928 | S | 30.6 | Very low | 31.6 | Very low | 107 Ų | 107 | 151.1 Ų | 151.1 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | cis | 81.6 | 101.2 | 20.6 | 87.2 | 0 | 0 | 0 | 0 | 117 | | |
| 929 | A | 32 | Very low | 31.9 | Very low | 86 Ų | 86 | 149.6 Ų | 149.6 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | | | trans | -177 | 152.3 | 137.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 930 | N | 28.7 | Very low | 32.1 | Very low | 145 Ų | 145 | 153.1 Ų | 153.1 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | | | trans | 73.7 | 133.9 | 156.8 | -54.3 | -25.9 | 0 | 0 | 0 | 119.3 | | |
| 931 | L | 30.9 | Very low | 32.3 | Very low | 148 Ų | 148 | 153.9 Ų | 153.9 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | | | cis | 79.7 | 139.7 | 25 | -159.8 | 83.6 | 0 | 0 | 0 | 112.6 | | |
| 932 | L | 32.8 | Very low | 32.5 | Very low | 133 Ų | 133 | 155.9 Ų | 155.9 | 70% | 0.696 | 80% | 0.803 | S | S | * | * | | | cis | -91.8 | -148 | -1.6 | -67.2 | 157.6 | 0 | 0 | 0 | 110 | | |
| 933 | H | 30.8 | Very low | 32.5 | Very low | 136 Ų | 136 | 154.3 Ų | 154.3 | 63% | 0.63 | 80% | 0.801 | S | S | * | * | | | cis | -158 | 154.4 | -3 | -148.3 | -55.3 | 0 | 0 | 0 | 111.1 | | |
| 934 | Y | 32 | Very low | 32.6 | Very low | 228 Ų | 228 | 152.7 Ų | 152.7 | 89% | 0.894 | 80% | 0.803 | S | S | * | * | | | trans | -145.9 | 138 | 151.1 | -115.7 | -89.5 | 0 | 0 | 0 | 109.1 | | |
| 935 | Q | 37.5 | Very low | 32.8 | Very low | 167 Ų | 167 | 150.7 Ų | 150.7 | 78% | 0.78 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 144.9 | 175.7 | -77.8 | 175.6 | -52 | 0 | 0 | 110.8 | | |
| 936 | K | 34.9 | Very low | 33.1 | Very low | 207 Ų | 207 | 149.3 Ų | 149.3 | 90% | 0.9 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 138.2 | 153.4 | -94.8 | -173.6 | 170.4 | -172.3 | 0 | 108.1 | | |
| 937 | K | 44.7 | Very low | 33.7 | Very low | 194 Ų | 194 | 155.1 Ų | 155.1 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 128.6 | 156.7 | -88.8 | -163 | 170.7 | -162.9 | 0 | 109.4 | | |
| 938 | T | 40.4 | Very low | 34.1 | Very low | 201 Ų | 201 | 159.3 Ų | 159.3 | 100% | 1.233 | 82% | 0.817 | S | S | * | * | | | | -65.6 | 0 | 120 | 49.8 | 0 | 0 | 0 | 0 | 107.6 | | |