| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 54.3 | Low | 70.3 | Confident | 232 Ų | 232 | 131.9 Ų | 131.9 | 100% | 1.143 | 65% | 0.652 | S | S | * | * | 0 | 1.6 | 0 | -72.1 | 176.6 | 169.1 | 0 | 0 | 114.4 | |||||
| 2 | T | 61.9 | Low | 70.5 | Confident | 117 Ų | 117 | 131.4 Ų | 131.4 | 72% | 0.718 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -75.2 | -28.5 | -171.9 | 39 | 0 | 0 | 0 | 0 | 115.9 | H4 L5 T6 | T2-H4 PolarHBondContact O-N 3.41Å; T2-L5 PolarHBondContact O-N 3.39Å; T2-T6 PolarHBondContact O-OG1 3.29Å |
| 3 | S | 73.7 | Confident | 70.7 | Confident | 97 Ų | 97 | 132.7 Ų | 132.7 | 68% | 0.678 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -65.2 | -30.9 | -171.1 | 52.6 | 0 | 0 | 0 | 0 | 115.3 | R7 | S3-R7 WeakPolarHBondContact O-CB 3.48Å; S3-R7 PolarHBondContact O-N 3.37Å |
| 4 | H | 69.2 | Low | 71 | Confident | 128 Ų | 128 | 133.4 Ų | 133.4 | 59% | 0.593 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -72.1 | -37.8 | -179.1 | -165.3 | -90.4 | 0 | 0 | 0 | 112.1 | T2 R7 M8 | T2-H4 PolarHBondContact O-N 3.41Å; H4-R7 PolarHBondContact O-N 3.5Å; H4-M8 WeakPolarHBondContact O-CG 3.43Å; H4-M8 PolarHBondContact O-N 3.46Å |
| 5 | L | 73.2 | Confident | 70.6 | Confident | 118 Ų | 118 | 132.5 Ų | 132.5 | 62% | 0.618 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -69.4 | -44.1 | -177.1 | -134.1 | 166.1 | 0 | 0 | 0 | 111.1 | T2 R7 M8 Q9 | T2-L5 PolarHBondContact O-N 3.39Å; L5-R7 VanDerWaalsContact C-N 3.29Å; L5-R7 PolarHBondContact O-N 3.27Å; L5-M8 PolarHBondContact O-N 3.05Å; L5-Q9 PolarHBondContact O-N 3.26Å |
| 6 | T | 73.2 | Confident | 70.2 | Confident | 91 Ų | 91 | 131.7 Ų | 131.7 | 56% | 0.558 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -61.1 | -37.6 | 173.4 | -40.7 | 0 | 0 | 0 | 0 | 112 | T2 Y10 | T2-T6 PolarHBondContact O-OG1 3.29Å; T6-Y10 PolarHBondContact O-N 3.32Å; T6-Y10 VanDerWaalsContact O-N 3.09Å |
| 7 | R | 70.7 | Confident | 69.6 | Low | 182 Ų | 182 | 128.4 Ų | 128.4 | 69% | 0.687 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67.4 | -40 | 177.2 | -169.5 | 174.8 | -177.4 | 171.2 | 0.4 | 112.3 | S3 H4 L5 Y10 E11 | S3-R7 WeakPolarHBondContact O-CB 3.48Å; S3-R7 PolarHBondContact O-N 3.37Å; H4-R7 PolarHBondContact O-N 3.5Å; L5-R7 VanDerWaalsContact C-N 3.29Å; L5-R7 PolarHBondContact O-N 3.27Å; R7-Y10 PolarHBondContact O-N 3.02Å; R7-E11 PolarHBondContact O-N 3.32Å; R7-E11 VanDerWaalsContact O-N 3.12Å |
| 8 | M | 72.8 | Confident | 68.8 | Low | 113 Ų | 113 | 128.2 Ų | 128.2 | 56% | 0.557 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -66.3 | -43 | 175.7 | -66.2 | -127.1 | -64.9 | 0 | 0 | 112.3 | H4 L5 Y10 E11 Q12 | H4-M8 WeakPolarHBondContact O-CG 3.43Å; H4-M8 PolarHBondContact O-N 3.46Å; L5-M8 PolarHBondContact O-N 3.05Å; M8-Y10 VanDerWaalsContact C-N 3.32Å; M8-Y10 PolarHBondContact O-N 3.39Å; M8-E11 PolarHBondContact O-N 3.01Å; M8-Q12 WeakPolarHBondContact O-CB 3.36Å; M8-Q12 PolarHBondContact O-N 3.41Å |
| 9 | Q | 73.5 | Confident | 67.8 | Low | 124 Ų | 124 | 125.1 Ų | 125.1 | 58% | 0.579 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -59.4 | -41.9 | 174.2 | -83.8 | -175 | -52.6 | 0 | 0 | 112.2 | L5 Q12 Q13 | L5-Q9 PolarHBondContact O-N 3.26Å; Q9-Q12 PolarHBondContact O-N 3.12Å; Q9-Q13 VanDerWaalsContact O-CB 3.31Å; Q9-Q13 WeakPolarHBondContact O-CB 3.31Å; Q9-Q13 PolarHBondContact O-N 3.41Å |
| 10 | Y | 75.8 | Confident | 66.8 | Low | 163 Ų | 163 | 130.1 Ų | 130.1 | 64% | 0.639 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -63.8 | -44.8 | 178.9 | -172.6 | -96.3 | 0 | 0 | 0 | 112.8 | T6 R7 M8 R14 | T6-Y10 PolarHBondContact O-N 3.32Å; T6-Y10 VanDerWaalsContact O-N 3.09Å; R7-Y10 PolarHBondContact O-N 3.02Å; M8-Y10 VanDerWaalsContact C-N 3.32Å; M8-Y10 PolarHBondContact O-N 3.39Å; Y10-R14 WeakPolarHBondContact O-CB 3.44Å; Y10-R14 PolarHBondContact O-N 3.48Å |
| 11 | E | 74.8 | Confident | 65.6 | Low | 86 Ų | 86 | 129.6 Ų | 129.6 | 40% | 0.402 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -60.6 | -44.9 | 174 | -76.4 | -69.8 | 152.9 | 0 | 0 | 111.8 | R7 M8 Q13 R14 L15 | R7-E11 PolarHBondContact O-N 3.32Å; R7-E11 VanDerWaalsContact O-N 3.12Å; M8-E11 PolarHBondContact O-N 3.01Å; E11-Q13 PolarHBondContact O-N 3.37Å; E11-R14 WeakPolarHBondContact O-CB 3.33Å; E11-R14 PolarHBondContact O-N 3.22Å; E11-L15 PolarHBondContact O-N 3.38Å |
| 12 | Q | 73.3 | Confident | 64.8 | Low | 126 Ų | 126 | 122.1 Ų | 122.1 | 59% | 0.589 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.9 | -36.8 | -177.6 | -161.7 | 162.8 | 16.6 | 0 | 0 | 112.6 | M8 Q9 R14 L15 N16 | M8-Q12 WeakPolarHBondContact O-CB 3.36Å; M8-Q12 PolarHBondContact O-N 3.41Å; Q9-Q12 PolarHBondContact O-N 3.12Å; Q12-R14 VanDerWaalsContact C-N 3.33Å; Q12-L15 PolarHBondContact O-N 3.09Å; Q12-N16 PolarHBondContact O-N 2.94Å; Q12-N16 VanDerWaalsContact O-N 3.11Å |
| 13 | Q | 73.3 | Confident | 63.7 | Low | 148 Ų | 148 | 122 Ų | 122 | 69% | 0.692 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -70.4 | -30.5 | 174.2 | -158.9 | 167.6 | 12.9 | 0 | 0 | 112 | Q9 E11 S17 | Q9-Q13 VanDerWaalsContact O-CB 3.31Å; Q9-Q13 WeakPolarHBondContact O-CB 3.31Å; Q9-Q13 PolarHBondContact O-N 3.41Å; E11-Q13 PolarHBondContact O-N 3.37Å; Q13-S17 PolarHBondContact O-N 3.28Å; Q13-S17 PolarHBondContact O-OG 3.11Å |
| 14 | R | 74.1 | Confident | 62 | Low | 143 Ų | 143 | 123 Ų | 123 | 54% | 0.54 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -69.6 | -44.7 | 172.8 | -171.5 | 177.6 | 178.5 | -130.6 | -1.1 | 111.9 | Y10 E11 Q12 N16 S17 L18 | Y10-R14 WeakPolarHBondContact O-CB 3.44Å; Y10-R14 PolarHBondContact O-N 3.48Å; E11-R14 WeakPolarHBondContact O-CB 3.33Å; E11-R14 PolarHBondContact O-N 3.22Å; Q12-R14 VanDerWaalsContact C-N 3.33Å; R14-N16 PolarHBondContact O-N 3.03Å; R14-S17 PolarHBondContact O-N 3.02Å; R14-S17 PolarHBondContact O-OG 3.49Å; R14-L18 HydrophobicContact CG-CD1 4.38Å; R14-L18 WeakPolarHBondContact O-CD1 3.42Å; R14-L18 PolarHBondContact O-N 2.95Å |
| 15 | L | 65.5 | Low | 60.6 | Low | 120 Ų | 120 | 122.3 Ų | 122.3 | 63% | 0.628 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -62.4 | -43.2 | 176.6 | -73.6 | 165.2 | 0 | 0 | 0 | 112.2 | E11 Q12 S17 L18 G19 | E11-L15 PolarHBondContact O-N 3.38Å; Q12-L15 PolarHBondContact O-N 3.09Å; L15-S17 PolarHBondContact O-N 3.43Å; L15-L18 PolarHBondContact O-N 3.28Å; L15-G19 PolarHBondContact O-N 3.25Å; L15-G19 VanDerWaalsContact O-N 3.09Å |
| 16 | N | 64.2 | Low | 59 | Low | 119 Ų | 119 | 122.3 Ų | 122.3 | 64% | 0.636 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -65.9 | -22.2 | 176.5 | -79.7 | -15.6 | 0 | 0 | 0 | 114.1 | Q12 R14 | Q12-N16 PolarHBondContact O-N 2.94Å; Q12-N16 VanDerWaalsContact O-N 3.11Å; R14-N16 PolarHBondContact O-N 3.03Å |
| 17 | S | 59.4 | Low | 57.3 | Low | 75 Ų | 75 | 125.9 Ų | 125.9 | 52% | 0.524 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -83.9 | -28.6 | 174.8 | 63.2 | 0 | 0 | 0 | 0 | 113.4 | Q13 R14 L15 | Q13-S17 PolarHBondContact O-N 3.28Å; Q13-S17 PolarHBondContact O-OG 3.11Å; R14-S17 PolarHBondContact O-N 3.02Å; R14-S17 PolarHBondContact O-OG 3.49Å; L15-S17 PolarHBondContact O-N 3.43Å |
| 18 | L | 56.3 | Low | 55.9 | Low | 125 Ų | 125 | 128.7 Ų | 128.7 | 65% | 0.654 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -78.5 | -25.4 | 172.2 | -88.5 | 80 | 0 | 0 | 0 | 113.3 | R14 L15 R20 | R14-L18 HydrophobicContact CG-CD1 4.38Å; R14-L18 WeakPolarHBondContact O-CD1 3.42Å; R14-L18 PolarHBondContact O-N 2.95Å; L15-L18 PolarHBondContact O-N 3.28Å; L18-R20 PolarHBondContact O-N 3.25Å |
| 19 | G | 49.9 | Very low | 54.2 | Low | 70 Ų | 70 | 128.3 Ų | 128.3 | 72% | 0.722 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | 1.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | L15 | L15-G19 PolarHBondContact O-N 3.25Å; L15-G19 VanDerWaalsContact O-N 3.09Å |
| 20 | R | 46 | Very low | 52.9 | Low | 225 Ų | 225 | 128.2 Ų | 128.2 | 85% | 0.849 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.5 | 10.6 | -164.6 | -135.6 | 174.2 | -174 | 176.7 | 1.8 | 116.6 | L18 | L18-R20 PolarHBondContact O-N 3.25Š|
| 21 | T | 43.1 | Very low | 51.1 | Low | 119 Ų | 119 | 127.5 Ų | 127.5 | 73% | 0.73 | 72% | 0.721 | S | S | * | * | trans | -112.5 | 54.1 | 175.4 | 57.1 | 0 | 0 | 0 | 0 | 112.4 | S23 | T21-S23 PolarHBondContact O-N 2.88Š| ||
| 22 | G | 36.5 | Very low | 49.7 | Very low | 75 Ų | 75 | 128.8 Ų | 128.8 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | trans | -92.6 | 63.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | S24 | G22-S24 PolarHBondContact O-N 3.13Å; G22-S24 VanDerWaalsContact O-N 3.1Å | ||
| 23 | S | 38.4 | Very low | 48 | Very low | 115 Ų | 115 | 128.6 Ų | 128.6 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | -79.5 | 92.7 | -178.6 | -61.9 | 0 | 0 | 0 | 0 | 111.4 | T21 S25 | T21-S23 PolarHBondContact O-N 2.88Å; S23-S25 PolarHBondContact O-N 3.39Å | ||
| 24 | S | 38.4 | Very low | 46.4 | Very low | 117 Ų | 117 | 133.3 Ų | 133.3 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -68.3 | 107 | 168.6 | 51.1 | 0 | 0 | 0 | 0 | 111.2 | G22 | G22-S24 PolarHBondContact O-N 3.13Å; G22-S24 VanDerWaalsContact O-N 3.1Å | ||
| 25 | S | 39.8 | Very low | 45 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | -95 | 103.9 | 166.6 | 58.3 | 0 | 0 | 0 | 0 | 110 | S23 | S23-S25 PolarHBondContact O-N 3.39Š| ||
| 26 | S | 40.9 | Very low | 44.1 | Very low | 117 Ų | 117 | 132.1 Ų | 132.1 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -72.7 | 129 | 178.2 | 49.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 27 | L | 37.4 | Very low | 42.9 | Very low | 167 Ų | 167 | 131.3 Ų | 131.3 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | trans | -96.7 | 121.5 | 167 | -74.6 | 168.3 | 0 | 0 | 0 | 110.1 | ||||
| 28 | R | 40.6 | Very low | 41.7 | Very low | 241 Ų | 241 | 134.1 Ų | 134.1 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | trans | 150.9 | 148.8 | 163.4 | -92.4 | 171.6 | 170.4 | -169.2 | -4.6 | 108.5 | ||||
| 29 | S | 37.6 | Very low | 41 | Very low | 104 Ų | 104 | 136.1 Ų | 136.1 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | cis | -175.3 | 128.2 | -16.7 | 45.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 30 | S | 44.9 | Very low | 40.4 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -170.5 | 107.7 | 164.4 | 50.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 31 | D | 39 | Very low | 40.2 | Very low | 147 Ų | 147 | 133.7 Ų | 133.7 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | trans | -67.6 | 173.7 | 158.5 | -113 | -46.3 | 0 | 0 | 0 | 110.2 | ||||
| 32 | P | 44.8 | Very low | 40 | Very low | 113 Ų | 113 | 139.6 Ų | 139.6 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | cis | -144.6 | 153.6 | 35.4 | 39 | -17.5 | 0 | 0 | 0 | 120.1 | ||||
| 33 | V | 38.9 | Very low | 40.2 | Very low | 122 Ų | 122 | 141.2 Ų | 141.2 | 74% | 0.739 | 80% | 0.797 | S | S | * | * | trans | 41 | 110.7 | 132.7 | -172.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 34 | R | 39.8 | Very low | 40.3 | Very low | 247 Ų | 247 | 141.7 Ų | 141.7 | 93% | 0.932 | 79% | 0.794 | S | S | * | * | trans | -156.6 | 129.7 | 137.9 | -131.2 | 175.3 | -162.3 | 163.2 | 6.9 | 112.9 | ||||
| 35 | V | 44.5 | Very low | 40.2 | Very low | 122 Ų | 122 | 142.5 Ų | 142.5 | 74% | 0.739 | 79% | 0.79 | S | S | * | * | trans | -102.3 | 160.5 | 169 | -155.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 36 | P | 44.9 | Very low | 40.2 | Very low | 116 Ų | 116 | 145.7 Ų | 145.7 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | -146.9 | 140.1 | 113.7 | 36.3 | -20.2 | 0 | 0 | 0 | 117.3 | |||||
| 37 | S | 40.7 | Very low | 40 | Very low | 103 Ų | 103 | 144.4 Ų | 144.4 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | trans | 44.3 | 116.1 | 142.2 | 62 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 38 | T | 33.6 | Very low | 40.2 | Very low | 134 Ų | 134 | 143.2 Ų | 143.2 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | -67.6 | 145.5 | 145.7 | 42.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 39 | I | 42.5 | Very low | 40.2 | Very low | 167 Ų | 167 | 138.5 Ų | 138.5 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | trans | -175.6 | 157.4 | 149.8 | -92.5 | 145.5 | 0 | 0 | 0 | 106.6 | ||||
| 40 | S | 37.1 | Very low | 40.5 | Very low | 86 Ų | 86 | 143.1 Ų | 143.1 | 60% | 0.601 | 78% | 0.779 | S | S | * | * | -160.8 | 171.5 | -62.3 | 66.9 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 41 | I | 40.2 | Very low | 40.5 | Very low | 158 Ų | 158 | 146 Ų | 146 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | trans | 77.5 | 95.3 | 159.9 | -56.8 | 159 | 0 | 0 | 0 | 118.9 | ||||
| 42 | R | 39.9 | Very low | 40.9 | Very low | 243 Ų | 243 | 143.4 Ų | 143.4 | 92% | 0.917 | 77% | 0.77 | S | S | * | * | 49.2 | 157.7 | 125.6 | -87.3 | -158.2 | 167 | 168.4 | -2 | 124.9 | |||||
| 43 | P | 40.3 | Very low | 40.8 | Very low | 109 Ų | 109 | 145.4 Ų | 145.4 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | trans | -112.9 | -178.4 | -163.2 | 44.5 | -35.4 | 0 | 0 | 0 | 114.6 | ||||
| 44 | V | 41.4 | Very low | 40.9 | Very low | 124 Ų | 124 | 143.1 Ų | 143.1 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | trans | 177.6 | 131.7 | 130.6 | 145.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 45 | N | 35.3 | Very low | 40.7 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | 48.8 | 148 | 152.4 | -72 | -10.9 | 0 | 0 | 0 | 126.2 | ||||
| 46 | Q | 40.3 | Very low | 40.7 | Very low | 182 Ų | 182 | 137.3 Ų | 137.3 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | trans | 69.9 | 140.9 | 157.7 | -70.1 | 163 | 13.6 | 0 | 0 | 117.2 | ||||
| 47 | S | 36.4 | Very low | 40.4 | Very low | 90 Ų | 90 | 138.5 Ų | 138.5 | 63% | 0.629 | 78% | 0.783 | S | S | * | * | cis | -168.5 | 174.9 | -16.4 | 55.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 48 | I | 41.7 | Very low | 40.4 | Very low | 141 Ų | 141 | 138.9 Ų | 138.9 | 72% | 0.723 | 79% | 0.785 | S | S | * | * | trans | 81.3 | 104.9 | 159 | -60.4 | 161.3 | 0 | 0 | 0 | 118.3 | ||||
| 49 | N | 40.6 | Very low | 40.5 | Very low | 143 Ų | 143 | 135.4 Ų | 135.4 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | trans | 48.5 | 112.5 | 137.2 | -51.5 | -8.7 | 0 | 0 | 0 | 121.6 | ||||
| 50 | Q | 44.4 | Very low | 40.2 | Very low | 201 Ų | 201 | 132.5 Ų | 132.5 | 94% | 0.939 | 77% | 0.771 | S | S | * | * | -168.6 | 163.7 | 96.6 | -99.7 | 175.5 | 5.9 | 0 | 0 | 112 | |||||
| 51 | E | 43.9 | Very low | 40.5 | Very low | 184 Ų | 184 | 139.3 Ų | 139.3 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -106.3 | -167.2 | -155.4 | -138.4 | -152.3 | 142.6 | 0 | 0 | 113.1 | ||||
| 52 | P | 47 | Very low | 40.5 | Very low | 91 Ų | 91 | 139.6 Ų | 139.6 | 59% | 0.591 | 79% | 0.787 | S | S | * | * | -123 | 177.7 | -120.4 | 41.8 | -24.2 | 0 | 0 | 0 | 114.7 | |||||
| 53 | T | 43.8 | Very low | 40.5 | Very low | 155 Ų | 155 | 133.8 Ų | 133.8 | 95% | 0.951 | 78% | 0.784 | S | S | * | * | trans | 178.6 | 148.6 | 137.9 | 20.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 54 | G | 40.8 | Very low | 40.4 | Very low | 74 Ų | 74 | 132.7 Ų | 132.7 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | trans | 126.8 | 76.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 55 | S | 36.4 | Very low | 40.3 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -73.2 | 132.9 | -179.6 | 62.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 56 | V | 42.7 | Very low | 40.5 | Very low | 135 Ų | 135 | 135.6 Ų | 135.6 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -121.4 | 108.2 | 162.8 | -175.7 | 0 | 0 | 0 | 0 | 108.7 | S58 | V56-S58 PolarHBondContact O-N 3.23Š| ||
| 57 | V | 40.5 | Very low | 40.2 | Very low | 141 Ų | 141 | 138 Ų | 138 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -80.8 | 103.8 | 177.9 | 177.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 58 | S | 39 | Very low | 40.1 | Very low | 110 Ų | 110 | 138.7 Ų | 138.7 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -118 | 102 | 168.9 | -164.4 | 0 | 0 | 0 | 0 | 109 | V56 | V56-S58 PolarHBondContact O-N 3.23Š| ||
| 59 | G | 37.2 | Very low | 40 | Very low | 62 Ų | 62 | 141.4 Ų | 141.4 | 64% | 0.639 | 80% | 0.803 | S | S | * | * | trans | -90.3 | 108.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 60 | S | 35.6 | Very low | 39.6 | Very low | 106 Ų | 106 | 143 Ų | 143 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | trans | -152.3 | 100.7 | 166.6 | -78 | 0 | 0 | 0 | 0 | 110 | ||||
| 61 | Y | 43.6 | Very low | 39.1 | Very low | 228 Ų | 228 | 136.7 Ų | 136.7 | 89% | 0.894 | 80% | 0.798 | S | S | * | * | trans | -100.1 | 105.8 | 172.6 | -65.3 | -75.1 | 0 | 0 | 0 | 109.8 | S63 | Y61-S63 PolarHBondContact O-N 3.35Š| ||
| 62 | I | 39.6 | Very low | 38.4 | Very low | 164 Ų | 164 | 134 Ų | 134 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | trans | -73.1 | 118.4 | 161.6 | -61.1 | 167.6 | 0 | 0 | 0 | 106.5 | ||||
| 63 | S | 40.6 | Very low | 37.9 | Very low | 122 Ų | 122 | 136.6 Ų | 136.6 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | -105.3 | 146.9 | 161.6 | -167.9 | 0 | 0 | 0 | 0 | 109.3 | Y61 | Y61-S63 PolarHBondContact O-N 3.35Š| ||
| 64 | S | 38.4 | Very low | 37.4 | Very low | 85 Ų | 85 | 131.6 Ų | 131.6 | 59% | 0.594 | 79% | 0.792 | S | S | * | * | trans | -133.7 | 157.5 | -159.3 | 66.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 65 | K | 39.5 | Very low | 37.3 | Very low | 199 Ų | 199 | 136.7 Ų | 136.7 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | trans | 73.2 | 145.8 | 177.3 | -51.1 | 172.2 | -177 | 178 | 0 | 113.4 | ||||
| 66 | S | 38 | Very low | 37.5 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | cis | -153.3 | 150.8 | 0.2 | 26.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 67 | R | 33.8 | Very low | 37.2 | Very low | 233 Ų | 233 | 140 Ų | 140 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | trans | -82.2 | 169.1 | 173.2 | 174.6 | -177 | -176.1 | -149.6 | 2.6 | 110.7 | ||||
| 68 | P | 36.1 | Very low | 36.9 | Very low | 104 Ų | 104 | 141.9 Ų | 141.9 | 68% | 0.675 | 80% | 0.795 | S | S | * | * | cis | -121.8 | 163.5 | -29.6 | 32.8 | -18.2 | 0 | 0 | 0 | 113.3 | ||||
| 69 | Q | 38.2 | Very low | 36.8 | Very low | 199 Ų | 199 | 142.9 Ų | 142.9 | 93% | 0.93 | 79% | 0.792 | S | S | * | * | trans | -152.7 | 159.7 | 142.3 | -85.4 | -145.3 | -11.1 | 0 | 0 | 112.6 | ||||
| 70 | I | 33.7 | Very low | 36.8 | Very low | 177 Ų | 177 | 146.5 Ų | 146.5 | 91% | 0.908 | 80% | 0.795 | S | S | * | * | trans | -82.5 | 136.9 | -175.3 | -64.9 | 152.9 | 0 | 0 | 0 | 109.5 | ||||
| 71 | G | 32.1 | Very low | 36.8 | Very low | 67 Ų | 67 | 149.6 Ų | 149.6 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | trans | -175.5 | 117.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 72 | S | 30.5 | Very low | 36.3 | Very low | 127 Ų | 127 | 148.9 Ų | 148.9 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | -72.5 | 126.4 | 176.4 | 163.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 73 | V | 35.3 | Very low | 36 | Very low | 147 Ų | 147 | 146.7 Ų | 146.7 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | trans | -146.2 | 133.5 | 165.6 | -169.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 74 | G | 34.2 | Very low | 35.6 | Very low | 49 Ų | 49 | 146.8 Ų | 146.8 | 51% | 0.505 | 80% | 0.796 | S | S | . | * | cis | 168.6 | 92.2 | -3.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | V76 | G74-V76 PolarHBondContact O-N 3.18Å; G74-V76 VanDerWaalsContact O-N 3.14Å | ||
| 75 | N | 39 | Very low | 35.5 | Very low | 182 Ų | 182 | 151.7 Ų | 151.7 | 97% | 0.973 | 81% | 0.807 | S | S | * | * | trans | -78.3 | 95.7 | 174.2 | -83.3 | -9.1 | 0 | 0 | 0 | 109.3 | ||||
| 76 | V | 39.9 | Very low | 35.1 | Very low | 105 Ų | 105 | 149.8 Ų | 149.8 | 64% | 0.636 | 80% | 0.801 | S | S | * | * | trans | -102.3 | 155.5 | 178.2 | -173.2 | 0 | 0 | 0 | 0 | 109.8 | G74 | G74-V76 PolarHBondContact O-N 3.18Å; G74-V76 VanDerWaalsContact O-N 3.14Å | ||
| 77 | Y | 37.5 | Very low | 34.9 | Very low | 212 Ų | 212 | 152.3 Ų | 152.3 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | trans | 87.2 | 57.2 | 178 | -54.6 | -71.2 | 0 | 0 | 0 | 117.5 | ||||
| 78 | Q | 33.7 | Very low | 34.6 | Very low | 181 Ų | 181 | 148.5 Ų | 148.5 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -71.8 | 130.3 | 130.7 | 176.4 | -176.9 | 29.6 | 0 | 0 | 108.5 | ||||
| 79 | N | 35.9 | Very low | 34.8 | Very low | 131 Ų | 131 | 148.5 Ų | 148.5 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | trans | -178.8 | 134.3 | 147.1 | -102.8 | -25 | 0 | 0 | 0 | 115.1 | ||||
| 80 | I | 37.6 | Very low | 34.5 | Very low | 138 Ų | 138 | 144.5 Ų | 144.5 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | trans | 67.2 | 127 | 141.4 | -57.4 | 163.4 | 0 | 0 | 0 | 116 | ||||
| 81 | M | 36.2 | Very low | 34.6 | Very low | 170 Ų | 170 | 141.5 Ų | 141.5 | 84% | 0.837 | 78% | 0.781 | S | S | * | * | cis | -150.6 | 138.9 | 27.6 | -146.4 | 149.8 | 179.4 | 0 | 0 | 111.9 | ||||
| 82 | K | 33.6 | Very low | 34.7 | Very low | 213 Ų | 213 | 147.8 Ų | 147.8 | 93% | 0.926 | 79% | 0.785 | S | S | * | * | trans | -99.7 | 132.2 | 156.1 | -73.8 | 178.4 | 176.1 | 178.6 | 0 | 107.5 | ||||
| 83 | S | 32.7 | Very low | 34.9 | Very low | 119 Ų | 119 | 150 Ų | 150 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -157.6 | 137.5 | 156.6 | -162.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 84 | T | 31.2 | Very low | 34.8 | Very low | 124 Ų | 124 | 148.6 Ų | 148.6 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | trans | -109.1 | 137.2 | -175.7 | -55.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 85 | K | 36.1 | Very low | 34.9 | Very low | 187 Ų | 187 | 150.8 Ų | 150.8 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | 170.7 | 124.8 | 145.5 | -93 | 155 | -175.3 | -171.6 | 0 | 107.8 | ||||
| 86 | Q | 31.4 | Very low | 34.5 | Very low | 159 Ų | 159 | 149.1 Ų | 149.1 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | cis | 100.8 | 130.5 | 45.1 | -169.2 | -171.8 | 14.2 | 0 | 0 | 111.1 | ||||
| 87 | M | 34.1 | Very low | 34.3 | Very low | 175 Ų | 175 | 151 Ų | 151 | 86% | 0.862 | 78% | 0.783 | S | S | * | * | trans | 92.8 | 101.6 | 172.3 | -56 | -148 | 164.5 | 0 | 0 | 120.1 | ||||
| 88 | D | 27.7 | Very low | 34.1 | Very low | 153 Ų | 153 | 148.4 Ų | 148.4 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -60.8 | -174 | 144.7 | -114.2 | -31.5 | 0 | 0 | 0 | 112.5 | ||||
| 89 | P | 39.8 | Very low | 34 | Very low | 103 Ų | 103 | 145.2 Ų | 145.2 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | cis | -138.3 | -153.6 | -12.6 | 32.8 | -8.6 | 0 | 0 | 0 | 113.8 | ||||
| 90 | C | 33 | Very low | 33.9 | Very low | 116 Ų | 116 | 145 Ų | 145 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | trans | 85.4 | 146.1 | 163.5 | -73.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 91 | V | 34.8 | Very low | 34.1 | Very low | 113 Ų | 113 | 146.4 Ų | 146.4 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | cis | -161.8 | 142.6 | 17.2 | 110.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 92 | Y | 34.8 | Very low | 34.2 | Very low | 199 Ų | 199 | 144.9 Ų | 144.9 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | trans | 63.5 | 122.7 | 152.9 | -73.7 | -116.4 | 0 | 0 | 0 | 122 | ||||
| 93 | M | 34.2 | Very low | 34.3 | Very low | 173 Ų | 173 | 138.5 Ų | 138.5 | 85% | 0.852 | 77% | 0.768 | S | S | * | * | 66.5 | 142.8 | 95.4 | -72.9 | -163 | 149.1 | 0 | 0 | 115.7 | |||||
| 94 | S | 33.7 | Very low | 34.5 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | cis | -149.5 | 178.3 | 32.3 | -170.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 95 | S | 36.1 | Very low | 34.8 | Very low | 96 Ų | 96 | 138 Ų | 138 | 67% | 0.671 | 77% | 0.765 | S | S | * | * | trans | -138.3 | 144.5 | -171.5 | 60.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 96 | N | 31.5 | Very low | 34.8 | Very low | 147 Ų | 147 | 135.2 Ų | 135.2 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | trans | 71.6 | 160.1 | 144 | -85.2 | -2.2 | 0 | 0 | 0 | 122.9 | ||||
| 97 | M | 34.5 | Very low | 35 | Very low | 145 Ų | 145 | 135.2 Ų | 135.2 | 71% | 0.714 | 77% | 0.767 | S | S | * | * | trans | 76.4 | 107.5 | 172.3 | -57.9 | -81.1 | 102.8 | 0 | 0 | 114.6 | ||||
| 98 | Q | 33.3 | Very low | 35.2 | Very low | 156 Ų | 156 | 134 Ų | 134 | 73% | 0.729 | 77% | 0.77 | S | S | * | * | cis | 89.2 | 138 | 45.5 | -167.2 | -171.6 | 13.6 | 0 | 0 | 112.6 | ||||
| 99 | T | 32.7 | Very low | 35.5 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | trans | 120.8 | 104.5 | 147 | -46.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 100 | V | 33.6 | Very low | 35.4 | Very low | 128 Ų | 128 | 132.9 Ų | 132.9 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | 68.9 | 127.9 | 140.4 | 174.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 101 | E | 40.5 | Very low | 35.7 | Very low | 166 Ų | 166 | 133.9 Ų | 133.9 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | -164.8 | 141.3 | 116 | -103.4 | -168.4 | -174.1 | 0 | 0 | 113.8 | |||||
| 102 | N | 38.9 | Very low | 35.7 | Very low | 138 Ų | 138 | 133.1 Ų | 133.1 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | trans | 40.2 | 112.2 | 146.6 | -52.6 | -35.2 | 0 | 0 | 0 | 118.9 | ||||
| 103 | G | 36.7 | Very low | 35.9 | Very low | 79 Ų | 79 | 134.9 Ų | 134.9 | 81% | 0.814 | 77% | 0.768 | S | S | * | * | 120.9 | 173.1 | 65.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 104 | S | 36.4 | Very low | 36.1 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | cis | -165.3 | 164.1 | -20.4 | 69.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 105 | T | 37.8 | Very low | 36.5 | Very low | 130 Ų | 130 | 131.5 Ų | 131.5 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | trans | 60 | 123.4 | 175 | 62.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 106 | V | 36.2 | Very low | 36.4 | Very low | 128 Ų | 128 | 132 Ų | 132 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | cis | 85.5 | 102.1 | 38.2 | -175.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 107 | L | 34.8 | Very low | 37 | Very low | 158 Ų | 158 | 132.9 Ų | 132.9 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | trans | 51.9 | 121.5 | 151.4 | -65.5 | 167.2 | 0 | 0 | 0 | 121.1 | ||||
| 108 | T | 37.8 | Very low | 37.3 | Very low | 151 Ų | 151 | 130.5 Ų | 130.5 | 93% | 0.926 | 77% | 0.773 | S | S | * | * | -160.1 | 152.3 | 123.9 | 6.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 109 | S | 34.7 | Very low | 37.2 | Very low | 96 Ų | 96 | 126.1 Ų | 126.1 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | trans | -90 | 147.7 | -179.2 | 173.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 110 | N | 38.4 | Very low | 37.5 | Very low | 136 Ų | 136 | 131.5 Ų | 131.5 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | 169 | 146.4 | 118.4 | -83.3 | -19.8 | 0 | 0 | 0 | 115.7 | |||||
| 111 | N | 37.5 | Very low | 37.5 | Very low | 136 Ų | 136 | 132.5 Ų | 132.5 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | 59.4 | 101.2 | 145 | -72.9 | -10.4 | 0 | 0 | 0 | 122.4 | ||||
| 112 | S | 35.2 | Very low | 37.5 | Very low | 98 Ų | 98 | 130.4 Ų | 130.4 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | 44.6 | 117.5 | 116.6 | 68.8 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 113 | R | 39.6 | Very low | 37.6 | Very low | 235 Ų | 235 | 127.8 Ų | 127.8 | 89% | 0.887 | 77% | 0.769 | S | S | * | * | -177.4 | 137.2 | 115.5 | -104.1 | 169.5 | 177 | -168.9 | -1.4 | 114.2 | |||||
| 114 | T | 38.9 | Very low | 37.9 | Very low | 138 Ų | 138 | 132.1 Ų | 132.1 | 85% | 0.847 | 77% | 0.772 | S | S | * | * | trans | 65.5 | 118.2 | 141.9 | -45.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 115 | G | 40.6 | Very low | 38.1 | Very low | 82 Ų | 82 | 135.2 Ų | 135.2 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | 177.2 | 87.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 116 | S | 35.3 | Very low | 38.3 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | trans | -95.8 | 157.7 | -176.1 | 46.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 117 | I | 43.9 | Very low | 38.5 | Very low | 166 Ų | 166 | 135.3 Ų | 135.3 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | trans | 178.1 | 133.4 | 135.9 | -91.7 | 152.2 | 0 | 0 | 0 | 112 | ||||
| 118 | S | 40.3 | Very low | 38.8 | Very low | 95 Ų | 95 | 137.5 Ų | 137.5 | 66% | 0.664 | 79% | 0.785 | S | S | * | * | trans | 12.3 | 137.4 | 154.6 | -138.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 119 | G | 31.4 | Very low | 38.8 | Very low | 64 Ų | 64 | 135.7 Ų | 135.7 | 66% | 0.66 | 78% | 0.779 | S | S | * | * | 89.6 | 122.3 | 53.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 120 | Y | 38.4 | Very low | 39.1 | Very low | 227 Ų | 227 | 135 Ų | 135 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | -156.1 | 159.3 | 59.9 | -79 | -91.3 | 0 | 0 | 0 | 113.5 | |||||
| 121 | Q | 34.4 | Very low | 39.1 | Very low | 150 Ų | 150 | 138.3 Ų | 138.3 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | trans | -127.7 | 148.1 | 161.9 | -171.8 | -136.2 | 17 | 0 | 0 | 108.5 | S123 | Q121-S123 PolarHBondContact NE2-OG 3.36Å; Q121-S123 PolarHBondContact OE1-OG 2.98Å | ||
| 122 | P | 40.6 | Very low | 39.1 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | trans | -123.6 | 112.2 | 157 | 33.6 | -20.7 | 0 | 0 | 0 | 111.5 | ||||
| 123 | S | 40.5 | Very low | 39.4 | Very low | 83 Ų | 83 | 136.8 Ų | 136.8 | 58% | 0.58 | 80% | 0.795 | S | S | * | * | trans | -114.5 | 113.4 | 160.5 | 53.3 | 0 | 0 | 0 | 0 | 109.3 | Q121 | Q121-S123 PolarHBondContact NE2-OG 3.36Å; Q121-S123 PolarHBondContact OE1-OG 2.98Å | ||
| 124 | L | 42.7 | Very low | 39.2 | Very low | 169 Ų | 169 | 137.7 Ų | 137.7 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | trans | -95.3 | 93.9 | 175.1 | -93.1 | 160.1 | 0 | 0 | 0 | 110 | ||||
| 125 | L | 41.3 | Very low | 39.1 | Very low | 170 Ų | 170 | 136 Ų | 136 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | trans | -85.3 | 121.3 | 152.1 | -80 | 166.9 | 0 | 0 | 0 | 107.4 | ||||
| 126 | L | 42.9 | Very low | 39.3 | Very low | 172 Ų | 172 | 140.3 Ų | 140.3 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | trans | -128.7 | 139.3 | 163.7 | -170.8 | 63.8 | 0 | 0 | 0 | 108.7 | ||||
| 127 | A | 40.1 | Very low | 39.2 | Very low | 87 Ų | 87 | 146.4 Ų | 146.4 | 72% | 0.719 | 80% | 0.804 | S | S | * | * | trans | -126.4 | 157.2 | -158.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 128 | K | 39.4 | Very low | 38.9 | Very low | 204 Ų | 204 | 142.4 Ų | 142.4 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | trans | 71.6 | 90 | 139.2 | -157.8 | 179.3 | -173.6 | -177.8 | 0 | 119.4 | ||||
| 129 | S | 38.6 | Very low | 38.8 | Very low | 114 Ų | 114 | 143.9 Ų | 143.9 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | -152.2 | 127.1 | 128.2 | 48.6 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 130 | A | 40.2 | Very low | 39.3 | Very low | 81 Ų | 81 | 145.8 Ų | 145.8 | 67% | 0.669 | 81% | 0.806 | S | S | * | * | cis | 76.5 | 113.7 | 48.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 131 | Q | 39.8 | Very low | 39.3 | Very low | 205 Ų | 205 | 143 Ų | 143 | 96% | 0.958 | 80% | 0.8 | S | S | * | * | trans | 70.7 | 150.7 | 176 | -62.2 | 163.8 | -39.7 | 0 | 0 | 117.3 | ||||
| 132 | G | 37.7 | Very low | 39.4 | Very low | 69 Ų | 69 | 145.5 Ų | 145.5 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | trans | 111.1 | 57.6 | 157.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 133 | T | 41.5 | Very low | 39.2 | Very low | 134 Ų | 134 | 151.2 Ų | 151.2 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | trans | 23.8 | 110.8 | 139 | 52.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 134 | R | 34.6 | Very low | 39 | Very low | 253 Ų | 253 | 155.1 Ų | 155.1 | 96% | 0.955 | 83% | 0.826 | S | S | * | * | 55.6 | 78.2 | 124.1 | -155.8 | -173.7 | -153.6 | -170 | 7.2 | 117.3 | |||||
| 135 | S | 37.7 | Very low | 38.8 | Very low | 103 Ų | 103 | 151.2 Ų | 151.2 | 72% | 0.72 | 81% | 0.813 | S | S | * | * | trans | -134.4 | 132.6 | 148.9 | 69.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 136 | L | 43.1 | Very low | 38.7 | Very low | 172 Ų | 172 | 155.6 Ų | 155.6 | 90% | 0.901 | 82% | 0.818 | S | S | * | * | trans | -86.9 | 112.6 | 176.7 | -74.4 | 159.3 | 0 | 0 | 0 | 108.3 | A138 | L136-A138 PolarHBondContact O-N 3.02Š| ||
| 137 | Y | 34.3 | Very low | 38.4 | Very low | 235 Ų | 235 | 151.6 Ų | 151.6 | 92% | 0.922 | 80% | 0.804 | S | S | * | * | trans | 47.9 | 65.3 | 165.1 | -91.2 | -94.9 | 0 | 0 | 0 | 116.3 | ||||
| 138 | A | 36.8 | Very low | 38.7 | Very low | 81 Ų | 81 | 154.4 Ų | 154.4 | 67% | 0.669 | 81% | 0.806 | S | S | * | * | trans | -75.9 | 136.9 | 163 | 0 | 0 | 0 | 0 | 0 | 111.1 | L136 | L136-A138 PolarHBondContact O-N 3.02Š| ||
| 139 | P | 39.7 | Very low | 38.7 | Very low | 127 Ų | 127 | 155 Ų | 155 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | -94.6 | 134.2 | -174.3 | 35 | -32.9 | 0 | 0 | 0 | 112.8 | ||||
| 140 | S | 42.2 | Very low | 38.7 | Very low | 104 Ų | 104 | 153.3 Ų | 153.3 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -155.7 | 141.6 | 171 | 79.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 141 | H | 36.6 | Very low | 38.6 | Very low | 168 Ų | 168 | 153.2 Ų | 153.2 | 78% | 0.778 | 80% | 0.796 | S | S | * | * | trans | 49.2 | 80.8 | 159.5 | -57.7 | -72.6 | 0 | 0 | 0 | 121 | ||||
| 142 | F | 38.3 | Very low | 38.7 | Very low | 203 Ų | 203 | 153.8 Ų | 153.8 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | -142.6 | 93 | 129.5 | -93.9 | -69.8 | 0 | 0 | 0 | 111.6 | |||||
| 143 | R | 34.9 | Very low | 38.7 | Very low | 242 Ų | 242 | 155 Ų | 155 | 91% | 0.913 | 80% | 0.799 | S | S | * | * | trans | -80.2 | 141 | 156.4 | -147.9 | 178.5 | -174 | -159.6 | 3.3 | 105.2 | ||||
| 144 | M | 36.1 | Very low | 38.5 | Very low | 164 Ų | 164 | 152.7 Ų | 152.7 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | trans | 70.9 | 130.6 | -148.4 | -83.9 | 76.2 | 154.7 | 0 | 0 | 111.6 | ||||
| 145 | S | 38.9 | Very low | 38.7 | Very low | 87 Ų | 87 | 148.6 Ų | 148.6 | 61% | 0.608 | 78% | 0.784 | S | S | * | * | cis | -145.5 | 121.2 | 19.5 | -62.4 | 0 | 0 | 0 | 0 | 113.7 | S147 | S145-S147 PolarHBondContact O-N 3.44Š| ||
| 146 | R | 38.7 | Very low | 38.8 | Very low | 263 Ų | 263 | 148.7 Ų | 148.7 | 99% | 0.992 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -80.6 | 79.1 | 163.7 | -82.3 | -176.5 | 168.2 | -176.9 | -2.1 | 110.7 | ||
| 147 | S | 37.9 | Very low | 38.7 | Very low | 88 Ų | 88 | 146.3 Ų | 146.3 | 62% | 0.615 | 77% | 0.773 | S | S | * | * | trans | -173.8 | 32.9 | 171.1 | 51.9 | 0 | 0 | 0 | 0 | 118.4 | S145 | S145-S147 PolarHBondContact O-N 3.44Š| ||
| 148 | L | 46.3 | Very low | 38.9 | Very low | 146 Ų | 146 | 145 Ų | 145 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | trans | -121.3 | 45.7 | -176 | -66.8 | 176.3 | 0 | 0 | 0 | 115.7 | ||||
| 149 | K | 39.2 | Very low | 39.2 | Very low | 216 Ų | 216 | 151.5 Ų | 151.5 | 94% | 0.939 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -122.8 | 16.5 | 173.6 | -139.3 | 172 | -175.6 | 177.6 | 0 | 115 | ||
| 150 | A | 38.7 | Very low | 39.2 | Very low | 79 Ų | 79 | 149.2 Ų | 149.2 | 65% | 0.653 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -134.5 | -11 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | K152 A153 | A150-K152 PolarHBondContact O-N 3.5Å; A150-A153 PolarHBondContact O-N 3.09Å |
| 151 | S | 38.5 | Very low | 39.1 | Very low | 79 Ų | 79 | 148.2 Ų | 148.2 | 55% | 0.552 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 38.6 | -164.6 | -43 | 0 | 0 | 0 | 0 | 116.1 | ||
| 152 | K | 40.9 | Very low | 39.3 | Very low | 217 Ų | 217 | 151.4 Ų | 151.4 | 94% | 0.943 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.8 | 15.6 | 160.5 | -78.3 | -159.8 | 173.3 | -172.2 | 0 | 113.2 | A150 | A150-K152 PolarHBondContact O-N 3.5Š|
| 153 | A | 37.6 | Very low | 40 | Very low | 95 Ų | 95 | 145.8 Ų | 145.8 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -108.3 | 47.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A150 | A150-A153 PolarHBondContact O-N 3.09Š|
| 154 | S | 36.5 | Very low | 40.8 | Very low | 84 Ų | 84 | 138.9 Ų | 138.9 | 59% | 0.587 | 75% | 0.747 | S | S | * | * | trans | -157 | 54.1 | 179.6 | 68.9 | 0 | 0 | 0 | 0 | 114.8 | V156 | S154-V156 PolarHBondContact O-N 3.28Š| ||
| 155 | L | 39.4 | Very low | 41.4 | Very low | 167 Ų | 167 | 137.1 Ų | 137.1 | 87% | 0.874 | 74% | 0.739 | S | S | * | * | trans | -83.8 | 80.1 | 148.2 | -167.3 | 69.3 | 0 | 0 | 0 | 107.5 | T157 | L155-T157 PolarHBondContact O-N 3.25Š| ||
| 156 | V | 40.9 | Very low | 41.8 | Very low | 105 Ų | 105 | 140.3 Ų | 140.3 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | trans | -72.4 | 93.2 | 176.1 | 173.4 | 0 | 0 | 0 | 0 | 108.1 | S154 Y158 | S154-V156 PolarHBondContact O-N 3.28Å; V156-Y158 HydrophobicContact CG1-CD2 4.3Å; V156-Y158 PolarHBondContact O-N 2.86Å | ||
| 157 | T | 41.2 | Very low | 42.3 | Very low | 122 Ų | 122 | 130.7 Ų | 130.7 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | trans | -75.1 | 106.6 | 162.5 | -50.2 | 0 | 0 | 0 | 0 | 107.8 | L155 K159 | L155-T157 PolarHBondContact O-N 3.25Å; T157-K159 PolarHBondContact O-N 3.25Å; T157-K159 VanDerWaalsContact O-N 3.13Å | ||
| 158 | Y | 36.7 | Very low | 42.7 | Very low | 209 Ų | 209 | 131.3 Ų | 131.3 | 82% | 0.82 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.4 | 111.8 | 179.5 | -84.9 | -120.9 | 0 | 0 | 0 | 112.1 | V156 | V156-Y158 HydrophobicContact CG1-CD2 4.3Å; V156-Y158 PolarHBondContact O-N 2.86Å |
| 159 | K | 43.6 | Very low | 42.9 | Very low | 216 Ų | 216 | 131 Ų | 131 | 94% | 0.939 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 170 | -16.2 | 135.8 | -99.5 | -179 | 174.3 | -176.3 | 0 | 116.4 | T157 | T157-K159 PolarHBondContact O-N 3.25Å; T157-K159 VanDerWaalsContact O-N 3.13Å |
| 160 | S | 39.7 | Very low | 43.5 | Very low | 79 Ų | 79 | 126.3 Ų | 126.3 | 55% | 0.552 | 69% | 0.69 | S | S | * | * | trans | -142.1 | 89.4 | -176.8 | -167.8 | 0 | 0 | 0 | 0 | 113.7 | R162 | S160-R162 PolarHBondContact O-N 3.21Å; S160-R162 VanDerWaalsContact O-N 3.13Å | ||
| 161 | G | 40.4 | Very low | 44 | Very low | 84 Ų | 84 | 126.4 Ų | 126.4 | 87% | 0.866 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | 25.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 162 | R | 41.1 | Very low | 44.8 | Very low | 235 Ų | 235 | 129.2 Ų | 129.2 | 89% | 0.887 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.5 | -7.2 | -176.2 | -89.6 | -174.5 | 166 | 128 | -1.9 | 116 | S160 | S160-R162 PolarHBondContact O-N 3.21Å; S160-R162 VanDerWaalsContact O-N 3.13Å |
| 163 | T | 52.7 | Low | 45.3 | Very low | 85 Ų | 85 | 124.7 Ų | 124.7 | 52% | 0.521 | 66% | 0.658 | S | S | . | * | S | Bend | trans | -107.6 | -16.8 | -170 | 53.4 | 0 | 0 | 0 | 0 | 115.4 | A167 | T163-A167 WeakPolarHBondContact O-CB 3.41Å; T163-A167 PolarHBondContact O-N 3.13Å |
| 164 | T | 52.6 | Low | 45.9 | Very low | 96 Ų | 96 | 121.7 Ų | 121.7 | 59% | 0.589 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -74.5 | -40.5 | -167.7 | 51.1 | 0 | 0 | 0 | 0 | 114.3 | A167 E168 | T164-A167 PolarHBondContact O-N 2.68Å; T164-E168 PolarHBondContact O-N 3.17Å; T164-E168 VanDerWaalsContact O-N 3.13Å |
| 165 | I | 47.5 | Very low | 46.6 | Very low | 127 Ų | 127 | 122 Ų | 122 | 65% | 0.651 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -72 | -35.3 | -177.2 | -57.6 | 174.5 | 0 | 0 | 0 | 111.2 | E168 H169 | I165-E168 PolarHBondContact O-N 3.24Å; I165-H169 PolarHBondContact O-N 2.98Å; I165-H169 VanDerWaalsContact O-N 3.16Å |
| 166 | Q | 48.1 | Very low | 47.3 | Very low | 155 Ų | 155 | 122.6 Ų | 122.6 | 72% | 0.724 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -74.1 | -33.7 | 178.4 | -148.8 | 170.7 | 5.5 | 0 | 0 | 111.5 | H169 H170 | Q166-H169 PolarHBondContact O-N 3.22Å; Q166-H170 PolarHBondContact O-N 3.23Å |
| 167 | A | 48 | Very low | 47.8 | Very low | 60 Ų | 60 | 122.7 Ų | 122.7 | 50% | 0.496 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -63.5 | -43.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T163 T164 H169 H170 D171 | T163-A167 WeakPolarHBondContact O-CB 3.41Å; T163-A167 PolarHBondContact O-N 3.13Å; T164-A167 PolarHBondContact O-N 2.68Å; A167-H169 VanDerWaalsContact C-N 3.35Å; A167-H169 PolarHBondContact O-N 3.47Å; A167-H170 PolarHBondContact O-N 3.13Å; A167-D171 WeakPolarHBondContact O-CB 3.47Å; A167-D171 PolarHBondContact O-N 3.23Å |
| 168 | E | 46.4 | Very low | 48.3 | Very low | 102 Ų | 102 | 118.2 Ų | 118.2 | 48% | 0.477 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.2 | -38.8 | 177.3 | -159.1 | -165.3 | 146.7 | 0 | 0 | 112.2 | T164 I165 H170 D171 R172 | T164-E168 PolarHBondContact O-N 3.17Å; T164-E168 VanDerWaalsContact O-N 3.13Å; I165-E168 PolarHBondContact O-N 3.24Å; E168-H170 VanDerWaalsContact C-N 3.33Å; E168-H170 PolarHBondContact O-N 2.67Å; E168-D171 PolarHBondContact O-N 3.35Å; E168-R172 WeakPolarHBondContact O-CG 3.49Å; E168-R172 PolarHBondContact O-N 3.44Å; E168-R172 IonicContact OE1-CZ 3.43Å; E168-R172 IonicContact OE1-NE 3.38Å; E168-R172 PolarHBondContact OE1-NE 3.38Å; E168-R172 IonicContact OE1-NH2 2.67Å; E168-R172 PolarHBondContact OE1-NH2 2.92Å |
| 169 | H | 50.3 | Low | 48.8 | Very low | 140 Ų | 140 | 113 Ų | 113 | 65% | 0.648 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.9 | -32.9 | 174.6 | -108.6 | -79.5 | 0 | 0 | 0 | 113.2 | I165 Q166 A167 | I165-H169 PolarHBondContact O-N 2.98Å; I165-H169 VanDerWaalsContact O-N 3.16Å; Q166-H169 PolarHBondContact O-N 3.22Å; A167-H169 VanDerWaalsContact C-N 3.35Å; A167-H169 PolarHBondContact O-N 3.47Å |
| 170 | H | 52.7 | Low | 48.8 | Very low | 116 Ų | 116 | 104.9 Ų | 104.9 | 54% | 0.537 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -73.1 | -41.2 | 175.8 | -134.4 | -74 | 0 | 0 | 0 | 111.8 | Q166 A167 E168 R172 K173 V174 | Q166-H170 PolarHBondContact O-N 3.23Å; A167-H170 PolarHBondContact O-N 3.13Å; E168-H170 VanDerWaalsContact C-N 3.33Å; E168-H170 PolarHBondContact O-N 2.67Å; H170-R172 PolarHBondContact O-N 2.8Å; H170-K173 WeakPolarHBondContact O-CB 3.25Å; H170-K173 PolarHBondContact O-N 3.35Å; H170-V174 WeakPolarHBondContact O-CG2 3.36Å; H170-V174 PolarHBondContact O-N 3.4Å |
| 171 | D | 50.1 | Low | 49.3 | Very low | 82 Ų | 82 | 106.5 Ų | 106.5 | 44% | 0.439 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.1 | -46.1 | 177.4 | -176.1 | 34.1 | 0 | 0 | 0 | 111.6 | A167 E168 K173 V174 Q175 | A167-D171 WeakPolarHBondContact O-CB 3.47Å; A167-D171 PolarHBondContact O-N 3.23Å; E168-D171 PolarHBondContact O-N 3.35Å; D171-K173 PolarHBondContact O-N 3.07Å; D171-K173 VanDerWaalsContact O-N 3.15Å; D171-V174 PolarHBondContact O-N 2.86Å; D171-Q175 WeakPolarHBondContact O-CB 3.31Å; D171-Q175 VanDerWaalsContact O-CG 3.23Å; D171-Q175 WeakPolarHBondContact O-CG 3.23Å; D171-Q175 PolarHBondContact O-N 3.19Å; D171-Q175 PolarHBondContact OD1-NE2 3.42Å; D171-Q175 PolarHBondContact OD2-NE2 2.95Å |
| 172 | R | 54.1 | Low | 49.7 | Very low | 138 Ų | 138 | 110.4 Ų | 110.4 | 52% | 0.521 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.8 | -18.4 | 175.2 | -65.4 | -175.7 | -169.2 | -153.3 | 8.6 | 114.7 | E168 H170 R176 | E168-R172 WeakPolarHBondContact O-CG 3.49Å; E168-R172 PolarHBondContact O-N 3.44Å; E168-R172 IonicContact OE1-CZ 3.43Å; E168-R172 IonicContact OE1-NE 3.38Å; E168-R172 PolarHBondContact OE1-NE 3.38Å; E168-R172 IonicContact OE1-NH2 2.67Å; E168-R172 PolarHBondContact OE1-NH2 2.92Å; H170-R172 PolarHBondContact O-N 2.8Å; R172-R176 PolarHBondContact O-NE 2.85Å; R172-R176 VanDerWaalsContact O-NE 3.07Å |
| 173 | K | 51 | Low | 49.9 | Very low | 121 Ų | 121 | 105.1 Ų | 105.1 | 53% | 0.526 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -87.7 | -46.2 | 176.5 | -161.8 | 179 | 179.4 | -172.5 | 0 | 110.3 | H170 D171 Q175 R176 E177 | H170-K173 WeakPolarHBondContact O-CB 3.25Å; H170-K173 PolarHBondContact O-N 3.35Å; D171-K173 PolarHBondContact O-N 3.07Å; D171-K173 VanDerWaalsContact O-N 3.15Å; K173-Q175 VanDerWaalsContact C-N 3.33Å; K173-Q175 PolarHBondContact O-N 3.13Å; K173-R176 WeakPolarHBondContact O-CB 3.33Å; K173-R176 PolarHBondContact O-N 3.12Å; K173-E177 PolarHBondContact O-N 3.17Å |
| 174 | V | 51.6 | Low | 50.1 | Low | 32 Ų | 32 | 103.2 Ų | 103.2 | 19% | 0.194 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -59.4 | -41.8 | 172.4 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | H170 D171 R176 E177 I178 | H170-V174 WeakPolarHBondContact O-CG2 3.36Å; H170-V174 PolarHBondContact O-N 3.4Å; D171-V174 PolarHBondContact O-N 2.86Å; V174-R176 VanDerWaalsContact C-N 3.28Å; V174-R176 PolarHBondContact O-N 2.84Å; V174-E177 PolarHBondContact O-N 3.29Å; V174-I178 HydrophobicContact CG1-CD1 3.54Å; V174-I178 HydrophobicContact CG1-CG1 4.24Å; V174-I178 WeakPolarHBondContact O-CB 3.45Å; V174-I178 VanDerWaalsContact O-CG1 3.29Å; V174-I178 WeakPolarHBondContact O-CG1 3.5Å; V174-I178 PolarHBondContact O-N 3.32Å |
| 175 | Q | 51.4 | Low | 50.2 | Low | 92 Ų | 92 | 104.9 Ų | 104.9 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.9 | -27.9 | 174.3 | -73.5 | 172.6 | 16.7 | 0 | 0 | 113.9 | D171 K173 N179 | D171-Q175 WeakPolarHBondContact O-CB 3.31Å; D171-Q175 VanDerWaalsContact O-CG 3.23Å; D171-Q175 WeakPolarHBondContact O-CG 3.23Å; D171-Q175 PolarHBondContact O-N 3.19Å; D171-Q175 PolarHBondContact OD1-NE2 3.42Å; D171-Q175 PolarHBondContact OD2-NE2 2.95Å; K173-Q175 VanDerWaalsContact C-N 3.33Å; K173-Q175 PolarHBondContact O-N 3.13Å; Q175-N179 VanDerWaalsContact O-CB 3.26Å; Q175-N179 WeakPolarHBondContact O-CB 3.42Å; Q175-N179 PolarHBondContact O-N 2.93Å; Q175-N179 VanDerWaalsContact O-N 3.14Å; Q175-N179 PolarHBondContact O-ND2 3.2Å |
| 176 | R | 53.1 | Low | 50.7 | Low | 178 Ų | 178 | 99.3 Ų | 99.3 | 67% | 0.672 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -77.7 | -38.8 | 172.9 | -85 | -178.2 | -99.9 | 176.7 | -12.7 | 112 | R172 K173 V174 N179 S180 | R172-R176 PolarHBondContact O-NE 2.85Å; R172-R176 VanDerWaalsContact O-NE 3.07Å; K173-R176 WeakPolarHBondContact O-CB 3.33Å; K173-R176 PolarHBondContact O-N 3.12Å; V174-R176 VanDerWaalsContact C-N 3.28Å; V174-R176 PolarHBondContact O-N 2.84Å; R176-N179 PolarHBondContact O-N 3.47Å; R176-S180 PolarHBondContact O-N 3.46Å; R176-S180 VanDerWaalsContact O-N 3.08Å |
| 177 | E | 51.4 | Low | 51.6 | Low | 107 Ų | 107 | 97.4 Ų | 97.4 | 50% | 0.5 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69.8 | -40.1 | 177.6 | -72.2 | 171 | -165.9 | 0 | 0 | 111.7 | K173 V174 S180 | K173-E177 PolarHBondContact O-N 3.17Å; V174-E177 PolarHBondContact O-N 3.29Å; E177-S180 WeakPolarHBondContact O-CB 3.5Å; E177-S180 PolarHBondContact O-N 2.82Å; E177-S180 VanDerWaalsContact O-N 3.16Å; E177-S180 PolarHBondContact O-OG 3.48Å |
| 178 | I | 50.9 | Low | 53 | Low | 29 Ų | 29 | 102 Ų | 102 | 15% | 0.149 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -69.8 | -31.7 | 173.1 | -63.9 | 171.5 | 0 | 0 | 0 | 111.9 | V174 S180 I263 Y265 V275 | V174-I178 HydrophobicContact CG1-CD1 3.54Å; V174-I178 HydrophobicContact CG1-CG1 4.24Å; V174-I178 WeakPolarHBondContact O-CB 3.45Å; V174-I178 VanDerWaalsContact O-CG1 3.29Å; V174-I178 WeakPolarHBondContact O-CG1 3.5Å; V174-I178 PolarHBondContact O-N 3.32Å; I178-S180 VanDerWaalsContact C-N 3.27Å; I178-S180 PolarHBondContact O-N 3.15Å; I178-I263 HydrophobicContact CG2-CD1 4.42Å; I178-Y265 HydrophobicContact CD1-CE1 4.17Å; I178-V275 HydrophobicContact CD1-CG2 4.22Å; I178-V275 HydrophobicContact CG1-CG2 4.45Å |
| 179 | N | 47.3 | Very low | 54.3 | Low | 98 Ų | 98 | 99.3 Ų | 99.3 | 52% | 0.524 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -73.2 | -17.5 | 171 | -95 | -54.5 | 0 | 0 | 0 | 113.8 | Q175 R176 V181 R260 | Q175-N179 VanDerWaalsContact O-CB 3.26Å; Q175-N179 WeakPolarHBondContact O-CB 3.42Å; Q175-N179 PolarHBondContact O-N 2.93Å; Q175-N179 VanDerWaalsContact O-N 3.14Å; Q175-N179 PolarHBondContact O-ND2 3.2Å; R176-N179 PolarHBondContact O-N 3.47Å; N179-V181 PolarHBondContact O-N 3.16Å; N179-R260 PolarHBondContact O-NH2 3.38Å; N179-R260 PolarHBondContact OD1-NH1 2.68Å |
| 180 | S | 43.5 | Very low | 55.7 | Low | 46 Ų | 46 | 97.7 Ų | 97.7 | 32% | 0.322 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -66.3 | 132.3 | 178.2 | 82.2 | 0 | 0 | 0 | 0 | 110.5 | R176 E177 I178 K182 | R176-S180 PolarHBondContact O-N 3.46Å; R176-S180 VanDerWaalsContact O-N 3.08Å; E177-S180 WeakPolarHBondContact O-CB 3.5Å; E177-S180 PolarHBondContact O-N 2.82Å; E177-S180 VanDerWaalsContact O-N 3.16Å; E177-S180 PolarHBondContact O-OG 3.48Å; I178-S180 VanDerWaalsContact C-N 3.27Å; I178-S180 PolarHBondContact O-N 3.15Å; S180-K182 PolarHBondContact O-N 3.2Å |
| 181 | V | 50.5 | Low | 57.1 | Low | 113 Ų | 113 | 100.2 Ų | 100.2 | 69% | 0.685 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | 61.4 | -176.5 | -171 | 0 | 0 | 0 | 0 | 109.8 | N179 | N179-V181 PolarHBondContact O-N 3.16Š|
| 182 | K | 48.8 | Very low | 58.7 | Low | 166 Ų | 166 | 100.2 Ų | 100.2 | 72% | 0.722 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.5 | -3.2 | -172.8 | -71.1 | -170.2 | 176.9 | 179.9 | 0 | 115.3 | S180 | S180-K182 PolarHBondContact O-N 3.2Š|
| 183 | F | 45.1 | Very low | 60.2 | Low | 124 Ų | 124 | 93.7 Ų | 93.7 | 54% | 0.544 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -95.6 | 143.8 | 168.5 | -77.8 | -85.4 | 0 | 0 | 0 | 111.1 | ||
| 184 | G | 58.1 | Low | 62 | Low | 46 Ų | 46 | 89.9 Ų | 89.9 | 47% | 0.474 | 43% | 0.426 | S | S | . | . | S | Bend | trans | 93 | -178.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | A186 K187 | G184-A186 VanDerWaalsContact C-N 3.27Å; G184-A186 PolarHBondContact O-N 3.05Å; G184-K187 PolarHBondContact O-N 3.49Å |
| 185 | R | 55 | Low | 63.9 | Low | 131 Ų | 131 | 89.8 Ų | 89.8 | 49% | 0.494 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -24 | -173 | -155.1 | 169.5 | 179.8 | 137 | -3 | 110.7 | K187 K188 E259 | R185-K187 PolarHBondContact O-N 3.49Å; R185-K187 VanDerWaalsContact O-N 3.17Å; R185-K188 PolarHBondContact O-N 3.45Å; R185-E259 WeakPolarHBondContact CB-OE1 3.28Å; R185-E259 PolarHBondContact N-OE1 3.48Å; R185-E259 VanDerWaalsContact N-OE1 3.08Å |
| 186 | A | 58.2 | Low | 65.7 | Low | 10 Ų | 10 | 88.1 Ų | 88.1 | 8% | 0.083 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -53.6 | -29.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | G184 K188 L189 Y190 L255 | G184-A186 VanDerWaalsContact C-N 3.27Å; G184-A186 PolarHBondContact O-N 3.05Å; A186-K188 PolarHBondContact O-N 3.45Å; A186-L189 PolarHBondContact O-N 2.92Å; A186-Y190 PolarHBondContact O-N 2.91Å; A186-L255 HydrophobicContact CB-CD2 4.49Å |
| 187 | K | 67.1 | Low | 67.5 | Low | 114 Ų | 114 | 82.5 Ų | 82.5 | 50% | 0.496 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -57.9 | -35.6 | 175.5 | -176.1 | 179.4 | 176 | -170.3 | 0 | 112.3 | G184 R185 W191 | G184-K187 PolarHBondContact O-N 3.49Å; R185-K187 PolarHBondContact O-N 3.49Å; R185-K187 VanDerWaalsContact O-N 3.17Å; K187-W191 PolarHBondContact O-N 3.1Å; K187-W191 VanDerWaalsContact O-N 3.1Å |
| 188 | K | 75.5 | Confident | 69.5 | Low | 158 Ų | 158 | 81.9 Ų | 81.9 | 69% | 0.687 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -67.6 | -44.1 | 177.8 | -66.3 | -170.8 | 177.1 | -172.9 | 0 | 111.5 | R185 A186 W191 I192 | R185-K188 PolarHBondContact O-N 3.45Å; A186-K188 PolarHBondContact O-N 3.45Å; K188-W191 PolarHBondContact O-N 3Å; K188-I192 VanDerWaalsContact O-CG1 3.32Å; K188-I192 WeakPolarHBondContact O-CG1 3.32Å; K188-I192 PolarHBondContact O-N 3.41Å |
| 189 | L | 73.9 | Confident | 71.4 | Confident | 44 Ų | 44 | 84.9 Ų | 84.9 | 23% | 0.23 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -63.3 | -40 | 176.5 | -76.6 | 149.9 | 0 | 0 | 0 | 112 | A186 I192 A193 F248 A252 L255 | A186-L189 PolarHBondContact O-N 2.92Å; L189-I192 PolarHBondContact O-N 3.44Å; L189-A193 PolarHBondContact O-N 3.07Å; L189-F248 HydrophobicContact CD2-CD1 4.37Å; L189-A252 HydrophobicContact CB-CB 3.87Å; L189-L255 HydrophobicContact CD1-CD2 3.37Å |
| 190 | Y | 79.6 | Confident | 73.5 | Confident | 107 Ų | 107 | 81.5 Ų | 81.5 | 42% | 0.42 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 173.6 | -174 | -90.3 | 0 | 0 | 0 | 112.2 | A186 I192 A193 V194 Y249 | A186-Y190 PolarHBondContact O-N 2.91Å; Y190-I192 VanDerWaalsContact C-N 3.33Å; Y190-I192 PolarHBondContact O-N 3.23Å; Y190-A193 PolarHBondContact O-N 2.79Å; Y190-V194 HydrophobicContact CD1-CG2 3.94Å; Y190-V194 HydrophobicContact CE1-CG2 3.52Å; Y190-V194 WeakPolarHBondContact O-CG2 3.4Å; Y190-V194 PolarHBondContact O-N 3.01Å; Y190-Y249 HydrophobicContact CE2-CD2 4.43Å; Y190-Y249 AromaticContact CE2-CE2 3.95Å; Y190-Y249 HydrophobicContact CE2-CE2 3.95Å |
| 191 | W | 83 | Confident | 75.8 | Confident | 168 Ų | 168 | 84.4 Ų | 84.4 | 64% | 0.636 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -63.6 | -36 | 175.4 | -90.8 | 95.4 | 0 | 0 | 0 | 113.1 | K187 K188 V194 G195 | K187-W191 PolarHBondContact O-N 3.1Å; K187-W191 VanDerWaalsContact O-N 3.1Å; K188-W191 PolarHBondContact O-N 3Å; W191-V194 PolarHBondContact O-N 3.09Å; W191-G195 PolarHBondContact O-N 3.31Å |
| 192 | I | 84 | Confident | 77.9 | Confident | 82 Ų | 82 | 83 Ų | 83 | 42% | 0.421 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.7 | -47.2 | 172.8 | -68.9 | 161.3 | 0 | 0 | 0 | 110.3 | K188 L189 Y190 V194 G195 F196 F248 | K188-I192 VanDerWaalsContact O-CG1 3.32Å; K188-I192 WeakPolarHBondContact O-CG1 3.32Å; K188-I192 PolarHBondContact O-N 3.41Å; L189-I192 PolarHBondContact O-N 3.44Å; Y190-I192 VanDerWaalsContact C-N 3.33Å; Y190-I192 PolarHBondContact O-N 3.23Å; I192-V194 PolarHBondContact O-N 3.39Å; I192-G195 WeakPolarHBondContact O-CA 3.31Å; I192-G195 PolarHBondContact O-N 3.05Å; I192-G195 VanDerWaalsContact O-N 3.1Å; I192-F196 HydrophobicContact CG2-CD2 3.84Å; I192-F196 HydrophobicContact CG2-CE2 3.72Å; I192-F196 VanDerWaalsContact O-CD2 3.32Å; I192-F196 WeakPolarHBondContact O-CD2 3.11Å; I192-F196 PolarHBondContact O-N 3.41Å; I192-F248 HydrophobicContact CG2-CG 4.45Å |
| 193 | A | 85.6 | Confident | 79.9 | Confident | 1 Ų | 1 | 76.1 Ų | 76.1 | 1% | 0.008 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60 | -42.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L189 Y190 G195 F196 Y197 F248 | L189-A193 PolarHBondContact O-N 3.07Å; Y190-A193 PolarHBondContact O-N 2.79Å; A193-G195 VanDerWaalsContact C-N 3.33Å; A193-G195 PolarHBondContact O-N 2.78Å; A193-F196 WeakPolarHBondContact O-CB 3.46Å; A193-F196 PolarHBondContact O-N 3.39Å; A193-Y197 WeakPolarHBondContact O-CD2 3.47Å; A193-Y197 PolarHBondContact O-N 3.4Å; A193-F248 HydrophobicContact CB-CB 3.97Å |
| 194 | V | 88.7 | Confident | 82.2 | Confident | 41 Ų | 41 | 72.2 Ų | 72.2 | 25% | 0.248 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.3 | -43.4 | 172.5 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | Y190 W191 I192 F196 Y197 I198 | Y190-V194 HydrophobicContact CD1-CG2 3.94Å; Y190-V194 HydrophobicContact CE1-CG2 3.52Å; Y190-V194 WeakPolarHBondContact O-CG2 3.4Å; Y190-V194 PolarHBondContact O-N 3.01Å; W191-V194 PolarHBondContact O-N 3.09Å; I192-V194 PolarHBondContact O-N 3.39Å; V194-F196 VanDerWaalsContact C-N 3.34Å; V194-F196 PolarHBondContact O-N 2.91Å; V194-Y197 PolarHBondContact O-N 2.85Å; V194-I198 HydrophobicContact CG1-CD1 3.86Å; V194-I198 HydrophobicContact CG1-CG1 4.45Å; V194-I198 WeakPolarHBondContact O-CG1 3.43Å; V194-I198 PolarHBondContact O-N 3.11Å |
| 195 | G | 90.5 | Very high | 83.8 | Confident | 31 Ų | 31 | 76.6 Ų | 76.6 | 32% | 0.32 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57.3 | -43.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | W191 I192 A193 Y197 I198 M199 | W191-G195 PolarHBondContact O-N 3.31Å; I192-G195 WeakPolarHBondContact O-CA 3.31Å; I192-G195 PolarHBondContact O-N 3.05Å; I192-G195 VanDerWaalsContact O-N 3.1Å; A193-G195 VanDerWaalsContact C-N 3.33Å; A193-G195 PolarHBondContact O-N 2.78Å; G195-Y197 PolarHBondContact O-N 2.87Å; G195-I198 PolarHBondContact O-N 3.04Å; G195-M199 WeakPolarHBondContact O-CG 3.26Å; G195-M199 PolarHBondContact O-N 2.87Å |
| 196 | F | 90.3 | Very high | 85.5 | Confident | 57 Ų | 57 | 73.7 Ų | 73.7 | 25% | 0.25 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.5 | -40.4 | 174.3 | -86.1 | -74 | 0 | 0 | 0 | 113.1 | I192 A193 V194 M199 F200 F241 A244 F248 | I192-F196 HydrophobicContact CG2-CD2 3.84Å; I192-F196 HydrophobicContact CG2-CE2 3.72Å; I192-F196 VanDerWaalsContact O-CD2 3.32Å; I192-F196 WeakPolarHBondContact O-CD2 3.11Å; I192-F196 PolarHBondContact O-N 3.41Å; A193-F196 WeakPolarHBondContact O-CB 3.46Å; A193-F196 PolarHBondContact O-N 3.39Å; V194-F196 VanDerWaalsContact C-N 3.34Å; V194-F196 PolarHBondContact O-N 2.91Å; F196-M199 PolarHBondContact O-N 2.82Å; F196-F200 WeakPolarHBondContact O-CB 3.47Å; F196-F200 PolarHBondContact O-N 3.14Å; F196-F241 AromaticContact CD1-CD1 3.86Å; F196-F241 HydrophobicContact CD1-CD1 3.86Å; F196-F241 AromaticContact CE1-CD1 3.95Å; F196-F241 HydrophobicContact CE1-CD1 3.95Å; F196-F241 HydrophobicContact CE1-CE1 4.38Å; F196-A244 HydrophobicContact CD1-CB 4.12Å; F196-A244 HydrophobicContact CE1-CB 4.12Å; F196-F248 AromaticContact CD2-CD2 3.61Å; F196-F248 HydrophobicContact CD2-CD2 3.61Å; F196-F248 AromaticContact CD2-CE2 3.93Å; F196-F248 HydrophobicContact CD2-CE2 3.93Å; F196-F248 AromaticContact CE2-CD2 3.5Å; F196-F248 HydrophobicContact CE2-CD2 3.5Å; F196-F248 VanDerWaalsContact CE2-CD2 3.5Å; F196-F248 AromaticContact CE2-CE2 3.29Å; F196-F248 HydrophobicContact CE2-CE2 3.29Å; F196-F248 HydrophobicContact CE2-CZ 4.18Å; F196-F248 HydrophobicContact CG-CD2 4.43Å; F196-F248 HydrophobicContact CZ-CD2 4.23Å; F196-F248 AromaticContact CZ-CE2 3.7Å; F196-F248 HydrophobicContact CZ-CE2 3.7Å |
| 197 | Y | 90.9 | Very high | 86.9 | Confident | 59 Ų | 59 | 73.2 Ų | 73.2 | 23% | 0.231 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68.9 | -35.2 | 175.2 | -72.9 | -65.6 | 0 | 0 | 0 | 113.2 | A193 V194 G195 F200 L201 F242 M246 | A193-Y197 WeakPolarHBondContact O-CD2 3.47Å; A193-Y197 PolarHBondContact O-N 3.4Å; V194-Y197 PolarHBondContact O-N 2.85Å; G195-Y197 PolarHBondContact O-N 2.87Å; Y197-F200 PolarHBondContact O-N 3.48Å; Y197-L201 WeakPolarHBondContact O-CG 3.34Å; Y197-L201 PolarHBondContact O-N 3.32Å; Y197-F242 HydrophobicContact CD1-CD2 4.41Å; Y197-F242 AromaticContact CE1-CD2 3.97Å; Y197-F242 HydrophobicContact CE1-CD2 3.97Å; Y197-F242 AromaticContact CE1-CE2 3.97Å; Y197-F242 HydrophobicContact CE1-CE2 3.97Å; Y197-M246 PolarHBondContact OH-N 3.46Å; Y197-M246 PolarHBondContact OH-SD 3.2Å |
| 198 | I | 92.4 | Very high | 87.9 | Confident | 95 Ų | 95 | 72.3 Ų | 72.3 | 49% | 0.487 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65 | -44.9 | 173.5 | -66.1 | 166 | 0 | 0 | 0 | 110.1 | V194 G195 L201 L202 | V194-I198 HydrophobicContact CG1-CD1 3.86Å; V194-I198 HydrophobicContact CG1-CG1 4.45Å; V194-I198 WeakPolarHBondContact O-CG1 3.43Å; V194-I198 PolarHBondContact O-N 3.11Å; G195-I198 PolarHBondContact O-N 3.04Å; I198-L201 PolarHBondContact O-N 3.05Å; I198-L202 WeakPolarHBondContact O-CB 3.28Å; I198-L202 PolarHBondContact O-N 3.39Å |
| 199 | M | 91 | Very high | 88.5 | Confident | 91 Ų | 91 | 68.5 Ų | 68.5 | 45% | 0.448 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 175.4 | -70 | -63.9 | 120 | 0 | 0 | 112.1 | G195 F196 L202 V203 | G195-M199 WeakPolarHBondContact O-CG 3.26Å; G195-M199 PolarHBondContact O-N 2.87Å; F196-M199 PolarHBondContact O-N 2.82Å; M199-L202 PolarHBondContact O-N 2.82Å; M199-V203 WeakPolarHBondContact O-CB 3.29Å; M199-V203 VanDerWaalsContact O-CG2 3.29Å; M199-V203 WeakPolarHBondContact O-CG2 3.38Å; M199-V203 PolarHBondContact O-N 3.41Å |
| 200 | F | 91.4 | Very high | 89 | Confident | 28 Ų | 28 | 68.9 Ų | 68.9 | 12% | 0.123 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -55.5 | -52.4 | 172.5 | 165.2 | -115.5 | 0 | 0 | 0 | 111.6 | F196 Y197 L202 V203 L204 S238 F241 F242 | F196-F200 WeakPolarHBondContact O-CB 3.47Å; F196-F200 PolarHBondContact O-N 3.14Å; Y197-F200 PolarHBondContact O-N 3.48Å; F200-L202 VanDerWaalsContact C-N 3.33Å; F200-L202 PolarHBondContact O-N 2.86Å; F200-V203 PolarHBondContact O-N 3.05Å; F200-L204 HydrophobicContact CE2-CB 4.46Å; F200-L204 HydrophobicContact CE2-CD1 4.39Å; F200-L204 HydrophobicContact CZ-CD2 4.12Å; F200-L204 WeakPolarHBondContact O-CB 3.39Å; F200-L204 PolarHBondContact O-N 2.91Å; F200-S238 WeakPolarHBondContact CD2-O 3.13Å; F200-S238 WeakPolarHBondContact CE2-OG 3.47Å; F200-F241 HydrophobicContact CB-CB 4.21Å; F200-F242 HydrophobicContact CD1-CD2 4.04Å; F200-F242 HydrophobicContact CD2-CB 3.93Å; F200-F242 AromaticContact CE1-CD2 3.83Å; F200-F242 HydrophobicContact CE1-CD2 3.83Å; F200-F242 HydrophobicContact CE2-CB 3.99Å; F200-F242 HydrophobicContact CG-CB 4.23Å; F200-F242 HydrophobicContact CG-CD2 4.47Å; F200-F242 HydrophobicContact CZ-CB 4.36Å; F200-F242 HydrophobicContact CZ-CD2 4.08Å; F200-F242 HydrophobicContact CZ-CG 4.48Å |
| 201 | L | 93 | Very high | 89.2 | Confident | 107 Ų | 107 | 66.7 Ų | 66.7 | 56% | 0.56 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63 | -38.6 | 179.6 | -70.8 | 174.4 | 0 | 0 | 0 | 112.4 | Y197 I198 F205 | Y197-L201 WeakPolarHBondContact O-CG 3.34Å; Y197-L201 PolarHBondContact O-N 3.32Å; I198-L201 PolarHBondContact O-N 3.05Å; L201-F205 WeakPolarHBondContact O-CB 3.47Å; L201-F205 PolarHBondContact O-N 3Å |
| 202 | L | 93.7 | Very high | 89.3 | Confident | 82 Ų | 82 | 62.3 Ų | 62.3 | 43% | 0.429 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68 | -46.3 | 178.6 | -175.1 | 149.7 | 0 | 0 | 0 | 111.8 | I198 M199 F200 F205 I206 | I198-L202 WeakPolarHBondContact O-CB 3.28Å; I198-L202 PolarHBondContact O-N 3.39Å; M199-L202 PolarHBondContact O-N 2.82Å; F200-L202 VanDerWaalsContact C-N 3.33Å; F200-L202 PolarHBondContact O-N 2.86Å; L202-F205 PolarHBondContact O-N 3.43Å; L202-I206 HydrophobicContact CD2-CD1 3.57Å; L202-I206 HydrophobicContact CG-CD1 4.33Å; L202-I206 VanDerWaalsContact O-CG1 3.32Å; L202-I206 WeakPolarHBondContact O-CG1 3.23Å; L202-I206 PolarHBondContact O-N 3.47Å |
| 203 | V | 92 | Very high | 89.1 | Confident | 23 Ų | 23 | 62.1 Ų | 62.1 | 14% | 0.139 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67 | -41.1 | 177.2 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | M199 F200 I206 G207 L234 F241 | M199-V203 WeakPolarHBondContact O-CB 3.29Å; M199-V203 VanDerWaalsContact O-CG2 3.29Å; M199-V203 WeakPolarHBondContact O-CG2 3.38Å; M199-V203 PolarHBondContact O-N 3.41Å; F200-V203 PolarHBondContact O-N 3.05Å; V203-I206 PolarHBondContact O-N 3.23Å; V203-G207 PolarHBondContact O-N 3.08Å; V203-L234 HydrophobicContact CG1-CB 4.44Å; V203-L234 HydrophobicContact CG1-CD2 4.21Å; V203-L234 WeakPolarHBondContact CG1-O 3.35Å; V203-F241 HydrophobicContact CG2-CD2 4.5Å; V203-F241 HydrophobicContact CG2-CE2 4.29Å |
| 204 | L | 92.5 | Very high | 88.6 | Confident | 42 Ų | 42 | 66.8 Ų | 66.8 | 22% | 0.22 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 173.6 | -174.8 | 79 | 0 | 0 | 0 | 111 | F200 G207 L208 | F200-L204 HydrophobicContact CE2-CB 4.46Å; F200-L204 HydrophobicContact CE2-CD1 4.39Å; F200-L204 HydrophobicContact CZ-CD2 4.12Å; F200-L204 WeakPolarHBondContact O-CB 3.39Å; F200-L204 PolarHBondContact O-N 2.91Å; L204-G207 PolarHBondContact O-N 3.46Å; L204-L208 HydrophobicContact CG-CD1 4.11Å; L204-L208 WeakPolarHBondContact O-CB 3.25Å; L204-L208 WeakPolarHBondContact O-CG 3.34Å; L204-L208 PolarHBondContact O-N 2.93Å |
| 205 | F | 92.5 | Very high | 87.9 | Confident | 137 Ų | 137 | 72 Ų | 72 | 60% | 0.601 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -63.6 | -42.7 | 178 | -177.5 | -99.6 | 0 | 0 | 0 | 111.9 | L201 L202 L208 L209 | L201-F205 WeakPolarHBondContact O-CB 3.47Å; L201-F205 PolarHBondContact O-N 3Å; L202-F205 PolarHBondContact O-N 3.43Å; F205-L208 PolarHBondContact O-N 3.36Å; F205-L209 HydrophobicContact CE1-CD2 4.41Å; F205-L209 WeakPolarHBondContact O-CB 3.49Å; F205-L209 PolarHBondContact O-N 3.05Å |
| 206 | I | 90.3 | Very high | 87.2 | Confident | 71 Ų | 71 | 75.5 Ų | 75.5 | 36% | 0.364 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 175.8 | -67.6 | 171.7 | 0 | 0 | 0 | 111.1 | L202 V203 L209 I210 L234 | L202-I206 HydrophobicContact CD2-CD1 3.57Å; L202-I206 HydrophobicContact CG-CD1 4.33Å; L202-I206 VanDerWaalsContact O-CG1 3.32Å; L202-I206 WeakPolarHBondContact O-CG1 3.23Å; L202-I206 PolarHBondContact O-N 3.47Å; V203-I206 PolarHBondContact O-N 3.23Å; I206-L209 PolarHBondContact O-N 3.07Å; I206-I210 HydrophobicContact CG2-CD1 3.73Å; I206-I210 HydrophobicContact CG2-CG1 4.39Å; I206-I210 WeakPolarHBondContact O-CG1 3.38Å; I206-I210 PolarHBondContact O-N 3.28Å; I206-L234 HydrophobicContact CG2-CD1 4.15Å |
| 207 | G | 87.6 | Confident | 86.1 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V203 L204 T211 | V203-G207 PolarHBondContact O-N 3.08Å; L204-G207 PolarHBondContact O-N 3.46Å; G207-T211 WeakPolarHBondContact O-CB 3.32Å; G207-T211 PolarHBondContact O-N 3.19Å; G207-T211 PolarHBondContact O-OG1 2.91Å |
| 208 | L | 88.4 | Confident | 84.5 | Confident | 94 Ų | 94 | 83.1 Ų | 83.1 | 49% | 0.492 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.7 | -40.2 | 172.6 | -74.5 | 172 | 0 | 0 | 0 | 112.2 | L204 F205 T211 C212 | L204-L208 HydrophobicContact CG-CD1 4.11Å; L204-L208 WeakPolarHBondContact O-CB 3.25Å; L204-L208 WeakPolarHBondContact O-CG 3.34Å; L204-L208 PolarHBondContact O-N 2.93Å; F205-L208 PolarHBondContact O-N 3.36Å; L208-T211 PolarHBondContact O-N 2.86Å; L208-C212 WeakPolarHBondContact O-CB 3.45Å; L208-C212 PolarHBondContact O-N 3.46Å |
| 209 | L | 87.8 | Confident | 82.8 | Confident | 79 Ų | 79 | 85.7 Ų | 85.7 | 41% | 0.414 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.3 | -48 | 178 | -178.2 | 66.6 | 0 | 0 | 0 | 110.7 | F205 I206 T211 C212 L213 | F205-L209 HydrophobicContact CE1-CD2 4.41Å; F205-L209 WeakPolarHBondContact O-CB 3.49Å; F205-L209 PolarHBondContact O-N 3.05Å; I206-L209 PolarHBondContact O-N 3.07Å; L209-T211 VanDerWaalsContact C-N 3.33Å; L209-T211 PolarHBondContact O-N 3.45Å; L209-C212 PolarHBondContact O-N 3.38Å; L209-L213 HydrophobicContact CD1-CD1 4.21Å; L209-L213 HydrophobicContact CD1-CG 4.24Å; L209-L213 HydrophobicContact CG-CD1 3.86Å; L209-L213 HydrophobicContact CG-CG 4.32Å; L209-L213 VanDerWaalsContact O-CB 3.28Å; L209-L213 WeakPolarHBondContact O-CB 3.16Å; L209-L213 WeakPolarHBondContact O-CG 3.25Å; L209-L213 PolarHBondContact O-N 3.44Å |
| 210 | I | 84.4 | Confident | 81 | Confident | 52 Ų | 52 | 86.2 Ų | 86.2 | 27% | 0.267 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 176 | -68.3 | 164 | 0 | 0 | 0 | 110.7 | I206 R214 I230 L234 | I206-I210 HydrophobicContact CG2-CD1 3.73Å; I206-I210 HydrophobicContact CG2-CG1 4.39Å; I206-I210 WeakPolarHBondContact O-CG1 3.38Å; I206-I210 PolarHBondContact O-N 3.28Å; I210-R214 WeakPolarHBondContact O-CB 3.32Å; I210-R214 PolarHBondContact O-N 3.08Å; I210-I230 HydrophobicContact CG2-CG2 4.16Å; I210-L234 HydrophobicContact CD1-CD1 3.61Å |
| 211 | T | 83.6 | Confident | 79.2 | Confident | 60 Ų | 60 | 92.2 Ų | 92.2 | 37% | 0.368 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 178.7 | -54 | 0 | 0 | 0 | 0 | 111.8 | G207 L208 L209 R214 H215 | G207-T211 WeakPolarHBondContact O-CB 3.32Å; G207-T211 PolarHBondContact O-N 3.19Å; G207-T211 PolarHBondContact O-OG1 2.91Å; L208-T211 PolarHBondContact O-N 2.86Å; L209-T211 VanDerWaalsContact C-N 3.33Å; L209-T211 PolarHBondContact O-N 3.45Å; T211-R214 PolarHBondContact O-N 3.18Å; T211-H215 WeakPolarHBondContact O-CB 3.33Å; T211-H215 PolarHBondContact O-N 3.2Å |
| 212 | C | 84.1 | Confident | 77.2 | Confident | 76 Ų | 76 | 93.8 Ų | 93.8 | 51% | 0.514 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.7 | -44.9 | 177.7 | -174 | 0 | 0 | 0 | 0 | 111.8 | L208 L209 R214 H215 V216 | L208-C212 WeakPolarHBondContact O-CB 3.45Å; L208-C212 PolarHBondContact O-N 3.46Å; L209-C212 PolarHBondContact O-N 3.38Å; C212-R214 VanDerWaalsContact C-N 3.32Å; C212-R214 PolarHBondContact O-N 3.07Å; C212-H215 PolarHBondContact O-N 3.25Å; C212-H215 VanDerWaalsContact O-N 3.16Å; C212-V216 WeakPolarHBondContact O-CG2 3.39Å; C212-V216 PolarHBondContact O-N 2.89Å |
| 213 | L | 80.8 | Confident | 75 | Confident | 79 Ų | 79 | 94.7 Ų | 94.7 | 41% | 0.414 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -56.4 | -47.1 | 172.2 | -71.8 | 168.9 | 0 | 0 | 0 | 110 | L209 H215 V216 Y217 | L209-L213 HydrophobicContact CD1-CD1 4.21Å; L209-L213 HydrophobicContact CD1-CG 4.24Å; L209-L213 HydrophobicContact CG-CD1 3.86Å; L209-L213 HydrophobicContact CG-CG 4.32Å; L209-L213 VanDerWaalsContact O-CB 3.28Å; L209-L213 WeakPolarHBondContact O-CB 3.16Å; L209-L213 WeakPolarHBondContact O-CG 3.25Å; L209-L213 PolarHBondContact O-N 3.44Å; L213-H215 VanDerWaalsContact C-N 3.34Å; L213-H215 PolarHBondContact O-N 2.69Å; L213-V216 PolarHBondContact O-N 2.8Å; L213-Y217 HydrophobicContact CB-CD2 4.27Å; L213-Y217 HydrophobicContact CD2-CD2 4.03Å; L213-Y217 HydrophobicContact CD2-CE2 3.64Å; L213-Y217 WeakPolarHBondContact O-CA 3.48Å; L213-Y217 VanDerWaalsContact O-CB 3.25Å; L213-Y217 WeakPolarHBondContact O-CB 3.45Å; L213-Y217 VanDerWaalsContact O-CD2 3.24Å; L213-Y217 WeakPolarHBondContact O-CD2 3.11Å; L213-Y217 PolarHBondContact O-N 3.16Å |
| 214 | R | 74.1 | Confident | 73.2 | Confident | 98 Ų | 98 | 99.8 Ų | 99.8 | 37% | 0.37 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.8 | -41.6 | 175.8 | -171.7 | -179.5 | -176.9 | -147.1 | -0.8 | 112.7 | I210 T211 C212 Y217 E228 | I210-R214 WeakPolarHBondContact O-CB 3.32Å; I210-R214 PolarHBondContact O-N 3.08Å; T211-R214 PolarHBondContact O-N 3.18Å; C212-R214 VanDerWaalsContact C-N 3.32Å; C212-R214 PolarHBondContact O-N 3.07Å; R214-Y217 CarbonylContact O-C 3.59Å; R214-E228 IonicContact CZ-OE1 3.29Å; R214-E228 VanDerWaalsContact CZ-OE1 3.29Å; R214-E228 IonicContact CZ-OE2 3.68Å; R214-E228 VanDerWaalsContact NH1-CD 3.27Å; R214-E228 IonicContact NH1-OE1 2.68Å; R214-E228 PolarHBondContact NH1-OE1 3.45Å; R214-E228 IonicContact NH1-OE2 3.81Å; R214-E228 IonicContact NH2-OE1 3.02Å; R214-E228 PolarHBondContact NH2-OE1 3.37Å; R214-E228 IonicContact NH2-OE2 2.75Å; R214-E228 PolarHBondContact NH2-OE2 2.91Å |
| 215 | H | 75.3 | Confident | 71.7 | Confident | 152 Ų | 152 | 104.2 Ų | 104.2 | 70% | 0.704 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.3 | -39.4 | 178.6 | -174.8 | -71.9 | 0 | 0 | 0 | 112.7 | T211 C212 L213 | T211-H215 WeakPolarHBondContact O-CB 3.33Å; T211-H215 PolarHBondContact O-N 3.2Å; C212-H215 PolarHBondContact O-N 3.25Å; C212-H215 VanDerWaalsContact O-N 3.16Å; L213-H215 VanDerWaalsContact C-N 3.34Å; L213-H215 PolarHBondContact O-N 2.69Å |
| 216 | V | 75.3 | Confident | 70.3 | Confident | 103 Ų | 103 | 104.1 Ų | 104.1 | 62% | 0.624 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -75.7 | -42.7 | 177.4 | 174.8 | 0 | 0 | 0 | 0 | 111.2 | C212 L213 M218 | C212-V216 WeakPolarHBondContact O-CG2 3.39Å; C212-V216 PolarHBondContact O-N 2.89Å; L213-V216 PolarHBondContact O-N 2.8Å; V216-M218 VanDerWaalsContact C-N 3.31Å; V216-M218 PolarHBondContact O-N 3.49Å |
| 217 | Y | 68 | Low | 69 | Low | 131 Ų | 131 | 102.4 Ų | 102.4 | 51% | 0.514 | 54% | 0.542 | S | S | . | . | trans | -92.2 | 54 | -179.1 | -65.4 | -69.5 | 0 | 0 | 0 | 112.4 | L213 R214 N219 I220 | L213-Y217 HydrophobicContact CB-CD2 4.27Å; L213-Y217 HydrophobicContact CD2-CD2 4.03Å; L213-Y217 HydrophobicContact CD2-CE2 3.64Å; L213-Y217 WeakPolarHBondContact O-CA 3.48Å; L213-Y217 VanDerWaalsContact O-CB 3.25Å; L213-Y217 WeakPolarHBondContact O-CB 3.45Å; L213-Y217 VanDerWaalsContact O-CD2 3.24Å; L213-Y217 WeakPolarHBondContact O-CD2 3.11Å; L213-Y217 PolarHBondContact O-N 3.16Å; R214-Y217 CarbonylContact O-C 3.59Å; Y217-N219 PolarHBondContact O-N 3.17Å; Y217-I220 HydrophobicContact CD1-CD1 3.63Å; Y217-I220 HydrophobicContact CD1-CG1 4.22Å; Y217-I220 HydrophobicContact CD2-CD1 4.34Å; Y217-I220 HydrophobicContact CE1-CD1 4.31Å; Y217-I220 HydrophobicContact CG-CD1 3.65Å; Y217-I220 HydrophobicContact CG-CG1 4.33Å; Y217-I220 PolarHBondContact O-N 3.5Å | ||
| 218 | M | 57.4 | Low | 68.3 | Low | 145 Ų | 145 | 106.9 Ų | 106.9 | 71% | 0.714 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 37.5 | 170.9 | -100.3 | -77.2 | 164.6 | 0 | 0 | 113.7 | V216 | V216-M218 VanDerWaalsContact C-N 3.31Å; V216-M218 PolarHBondContact O-N 3.49Å |
| 219 | N | 56.5 | Low | 67.8 | Low | 149 Ų | 149 | 108.1 Ų | 108.1 | 80% | 0.797 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -161.4 | -0.1 | -176.7 | -97.9 | -43.9 | 0 | 0 | 0 | 115.2 | Y217 I221 | Y217-N219 PolarHBondContact O-N 3.17Å; N219-I221 PolarHBondContact O-N 2.89Å |
| 220 | I | 52.7 | Low | 67.6 | Low | 102 Ų | 102 | 107.4 Ų | 107.4 | 52% | 0.523 | 57% | 0.566 | S | S | . | * | trans | -84.6 | 102.7 | 178.1 | -63.5 | 178.4 | 0 | 0 | 0 | 110.2 | Y217 L222 | Y217-I220 HydrophobicContact CD1-CD1 3.63Å; Y217-I220 HydrophobicContact CD1-CG1 4.22Å; Y217-I220 HydrophobicContact CD2-CD1 4.34Å; Y217-I220 HydrophobicContact CE1-CD1 4.31Å; Y217-I220 HydrophobicContact CG-CD1 3.65Å; Y217-I220 HydrophobicContact CG-CG1 4.33Å; Y217-I220 PolarHBondContact O-N 3.5Å; I220-L222 HydrophobicContact CG2-CB 4.07Å; I220-L222 HydrophobicContact CG2-CD1 3.89Å; I220-L222 HydrophobicContact CG2-CG 4.46Å; I220-L222 PolarHBondContact O-N 3.5Å | ||
| 221 | I | 53.8 | Low | 67.6 | Low | 155 Ų | 155 | 105 Ų | 105 | 80% | 0.795 | 55% | 0.554 | S | S | * | * | trans | -77 | 53.9 | 179.6 | -53.2 | 163.8 | 0 | 0 | 0 | 110.4 | N219 | N219-I221 PolarHBondContact O-N 2.89Š| ||
| 222 | L | 49.7 | Very low | 67.7 | Low | 140 Ų | 140 | 105.9 Ų | 105.9 | 73% | 0.733 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -110 | 101.2 | 170.4 | -96.5 | 73 | 0 | 0 | 0 | 110 | I220 | I220-L222 HydrophobicContact CG2-CB 4.07Å; I220-L222 HydrophobicContact CG2-CD1 3.89Å; I220-L222 HydrophobicContact CG2-CG 4.46Å; I220-L222 PolarHBondContact O-N 3.5Å |
| 223 | S | 49.2 | Very low | 67.9 | Low | 100 Ų | 100 | 106.7 Ų | 106.7 | 70% | 0.699 | 56% | 0.56 | S | S | * | * | trans | 48.6 | 84.2 | 164.6 | -59.5 | 0 | 0 | 0 | 0 | 116 | D225 | S223-D225 PolarHBondContact O-N 3.01Š| ||
| 224 | L | 52.9 | Low | 68.4 | Low | 130 Ų | 130 | 104.9 Ų | 104.9 | 68% | 0.681 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -61.5 | -31.2 | -160.9 | -128.1 | 137 | 0 | 0 | 0 | 116.6 | ||
| 225 | D | 61 | Low | 69.1 | Low | 136 Ų | 136 | 102.3 Ų | 102.3 | 73% | 0.727 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -84 | -37 | -169.7 | -66.7 | -45 | 0 | 0 | 0 | 115.1 | S223 | S223-D225 PolarHBondContact O-N 3.01Å |
| 226 | I | 63.3 | Low | 69.9 | Low | 135 Ų | 135 | 97.8 Ų | 97.8 | 69% | 0.692 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -75.6 | -37.1 | -170.7 | -56.5 | 173.6 | 0 | 0 | 0 | 110.6 | I230 | I226-I230 WeakPolarHBondContact O-CB 3.45Å; I226-I230 WeakPolarHBondContact O-CG2 3.37Å; I226-I230 PolarHBondContact O-N 2.9Å |
| 227 | G | 63.8 | Low | 70.6 | Confident | 34 Ų | 34 | 95 Ų | 95 | 35% | 0.351 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.3 | -29.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 228 | E | 71.6 | Confident | 71.7 | Confident | 95 Ų | 95 | 88.8 Ų | 88.8 | 44% | 0.444 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.6 | -50.9 | 175.4 | 176.2 | 100.7 | -112.9 | 0 | 0 | 111 | R214 P232 | R214-E228 IonicContact CZ-OE1 3.29Å; R214-E228 VanDerWaalsContact CZ-OE1 3.29Å; R214-E228 IonicContact CZ-OE2 3.68Å; R214-E228 VanDerWaalsContact NH1-CD 3.27Å; R214-E228 IonicContact NH1-OE1 2.68Å; R214-E228 PolarHBondContact NH1-OE1 3.45Å; R214-E228 IonicContact NH1-OE2 3.81Å; R214-E228 IonicContact NH2-OE1 3.02Å; R214-E228 PolarHBondContact NH2-OE1 3.37Å; R214-E228 IonicContact NH2-OE2 2.75Å; R214-E228 PolarHBondContact NH2-OE2 2.91Å; E228-P232 VanDerWaalsContact O-CD 3.22Å; E228-P232 WeakPolarHBondContact O-CD 3.43Å |
| 229 | L | 79.1 | Confident | 73.3 | Confident | 119 Ų | 119 | 87.7 Ų | 87.7 | 62% | 0.623 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -76.4 | -37.5 | -174.6 | -170.9 | 64.9 | 0 | 0 | 0 | 112.5 | G231 L233 | L229-G231 PolarHBondContact O-N 2.85Å; L229-L233 WeakPolarHBondContact O-CB 3.25Å; L229-L233 PolarHBondContact O-N 3.4Å |
| 230 | I | 84.1 | Confident | 75 | Confident | 64 Ų | 64 | 86.6 Ų | 86.6 | 33% | 0.328 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.6 | -34.6 | -168.8 | -163.4 | 61.2 | 0 | 0 | 0 | 113.8 | I210 I226 L233 L234 | I210-I230 HydrophobicContact CG2-CG2 4.16Å; I226-I230 WeakPolarHBondContact O-CB 3.45Å; I226-I230 WeakPolarHBondContact O-CG2 3.37Å; I226-I230 PolarHBondContact O-N 2.9Å; I230-L233 HydrophobicContact CD1-CD2 4.33Å; I230-L233 PolarHBondContact O-N 3.45Å; I230-L234 HydrophobicContact CD1-CG 4.29Å; I230-L234 HydrophobicContact CG1-CD1 4Å; I230-L234 HydrophobicContact CG1-CG 4.25Å; I230-L234 WeakPolarHBondContact O-CB 3.14Å; I230-L234 VanDerWaalsContact O-CG 3.24Å; I230-L234 WeakPolarHBondContact O-CG 3.5Å; I230-L234 PolarHBondContact O-N 2.9Å |
| 231 | G | 82.6 | Confident | 76.7 | Confident | 2 Ų | 2 | 85 Ų | 85 | 2% | 0.021 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -62 | -61.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L229 L233 L234 I235 | L229-G231 PolarHBondContact O-N 2.85Å; G231-L233 VanDerWaalsContact C-N 3.3Å; G231-L233 PolarHBondContact O-N 3.18Å; G231-L234 PolarHBondContact O-N 2.84Å; G231-I235 WeakPolarHBondContact O-CG1 3.37Å; G231-I235 PolarHBondContact O-N 3.26Å; G231-I235 VanDerWaalsContact O-N 3.12Å |
| 232 | P | 86.3 | Confident | 78.5 | Confident | 79 Ų | 79 | 81.5 Ų | 81.5 | 51% | 0.513 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -58.8 | -37 | 173.6 | -25.2 | 35.5 | 0 | 0 | 0 | 113.3 | E228 I235 A236 | E228-P232 VanDerWaalsContact O-CD 3.22Å; E228-P232 WeakPolarHBondContact O-CD 3.43Å; P232-I235 PolarHBondContact O-N 2.91Å; P232-A236 WeakPolarHBondContact O-CB 3.42Å; P232-A236 PolarHBondContact O-N 3.28Å |
| 233 | L | 88.9 | Confident | 80.4 | Confident | 93 Ų | 93 | 76.8 Ų | 76.8 | 49% | 0.487 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 177.9 | -176.4 | 65.1 | 0 | 0 | 0 | 112.3 | L229 I230 G231 A236 C237 | L229-L233 WeakPolarHBondContact O-CB 3.25Å; L229-L233 PolarHBondContact O-N 3.4Å; I230-L233 HydrophobicContact CD1-CD2 4.33Å; I230-L233 PolarHBondContact O-N 3.45Å; G231-L233 VanDerWaalsContact C-N 3.3Å; G231-L233 PolarHBondContact O-N 3.18Å; L233-A236 PolarHBondContact O-N 3.48Å; L233-C237 WeakPolarHBondContact O-CB 3.21Å; L233-C237 PolarHBondContact O-N 3.44Å |
| 234 | L | 90.2 | Very high | 82.3 | Confident | 40 Ų | 40 | 73.3 Ų | 73.3 | 21% | 0.209 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -66.4 | -39.7 | 174.2 | -74.3 | 169.5 | 0 | 0 | 0 | 111.7 | V203 I206 I210 I230 G231 C237 S238 | V203-L234 HydrophobicContact CG1-CB 4.44Å; V203-L234 HydrophobicContact CG1-CD2 4.21Å; V203-L234 WeakPolarHBondContact CG1-O 3.35Å; I206-L234 HydrophobicContact CG2-CD1 4.15Å; I210-L234 HydrophobicContact CD1-CD1 3.61Å; I230-L234 HydrophobicContact CD1-CG 4.29Å; I230-L234 HydrophobicContact CG1-CD1 4Å; I230-L234 HydrophobicContact CG1-CG 4.25Å; I230-L234 WeakPolarHBondContact O-CB 3.14Å; I230-L234 VanDerWaalsContact O-CG 3.24Å; I230-L234 WeakPolarHBondContact O-CG 3.5Å; I230-L234 PolarHBondContact O-N 2.9Å; G231-L234 PolarHBondContact O-N 2.84Å; L234-C237 PolarHBondContact O-N 3.13Å; L234-S238 PolarHBondContact O-N 3.27Å |
| 235 | I | 89.5 | Confident | 84 | Confident | 44 Ų | 44 | 67.1 Ų | 67.1 | 23% | 0.226 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 175 | -65.1 | 166.3 | 0 | 0 | 0 | 110.3 | G231 P232 S238 F239 | G231-I235 WeakPolarHBondContact O-CG1 3.37Å; G231-I235 PolarHBondContact O-N 3.26Å; G231-I235 VanDerWaalsContact O-N 3.12Å; P232-I235 PolarHBondContact O-N 2.91Å; I235-S238 WeakPolarHBondContact O-CB 3.45Å; I235-S238 PolarHBondContact O-N 2.98Å; I235-S238 PolarHBondContact O-OG 3.3Å; I235-F239 HydrophobicContact CG2-CE2 4.09Å; I235-F239 VanDerWaalsContact O-CD2 3.25Å; I235-F239 WeakPolarHBondContact O-CD2 3.4Å; I235-F239 PolarHBondContact O-N 3.41Å |
| 236 | A | 91.2 | Very high | 85.2 | Confident | 57 Ų | 57 | 65.1 Ų | 65.1 | 47% | 0.471 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P232 L233 S238 F239 | P232-A236 WeakPolarHBondContact O-CB 3.42Å; P232-A236 PolarHBondContact O-N 3.28Å; L233-A236 PolarHBondContact O-N 3.48Å; A236-S238 VanDerWaalsContact C-N 3.28Å; A236-S238 PolarHBondContact O-N 2.96Å; A236-F239 PolarHBondContact O-N 3.1Å; A236-F239 VanDerWaalsContact O-N 3.17Å |
| 237 | C | 90.8 | Very high | 86.4 | Confident | 45 Ų | 45 | 65.2 Ų | 65.2 | 30% | 0.304 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.1 | -34.8 | 176 | -169.6 | 0 | 0 | 0 | 0 | 112 | L233 L234 F239 L240 F241 | L233-C237 WeakPolarHBondContact O-CB 3.21Å; L233-C237 PolarHBondContact O-N 3.44Å; L234-C237 PolarHBondContact O-N 3.13Å; C237-F239 VanDerWaalsContact C-N 3.29Å; C237-F239 PolarHBondContact O-N 3.25Å; C237-L240 WeakPolarHBondContact O-CB 3.4Å; C237-L240 PolarHBondContact O-N 3.17Å; C237-F241 WeakPolarHBondContact O-CD2 3.37Å; C237-F241 PolarHBondContact O-N 3.08Å |
| 238 | S | 91.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.1 | -39.8 | 174.8 | 86 | 0 | 0 | 0 | 0 | 112 | F200 L234 I235 A236 L240 F241 F242 | F200-S238 WeakPolarHBondContact CD2-O 3.13Å; F200-S238 WeakPolarHBondContact CE2-OG 3.47Å; L234-S238 PolarHBondContact O-N 3.27Å; I235-S238 WeakPolarHBondContact O-CB 3.45Å; I235-S238 PolarHBondContact O-N 2.98Å; I235-S238 PolarHBondContact O-OG 3.3Å; A236-S238 VanDerWaalsContact C-N 3.28Å; A236-S238 PolarHBondContact O-N 2.96Å; S238-L240 VanDerWaalsContact C-N 3.27Å; S238-L240 PolarHBondContact O-N 3.3Å; S238-F241 WeakPolarHBondContact O-CB 3.37Å; S238-F241 PolarHBondContact O-N 3.44Å; S238-F241 VanDerWaalsContact O-N 3.08Å; S238-F242 PolarHBondContact O-N 3.05Å |
| 239 | F | 91.5 | Very high | 88.1 | Confident | 123 Ų | 123 | 67.4 Ų | 67.4 | 54% | 0.539 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.2 | -27.5 | 176.5 | -72.8 | -75.9 | 0 | 0 | 0 | 113.4 | I235 A236 C237 F242 G243 | I235-F239 HydrophobicContact CG2-CE2 4.09Å; I235-F239 VanDerWaalsContact O-CD2 3.25Å; I235-F239 WeakPolarHBondContact O-CD2 3.4Å; I235-F239 PolarHBondContact O-N 3.41Å; A236-F239 PolarHBondContact O-N 3.1Å; A236-F239 VanDerWaalsContact O-N 3.17Å; C237-F239 VanDerWaalsContact C-N 3.29Å; C237-F239 PolarHBondContact O-N 3.25Å; F239-F242 PolarHBondContact O-N 3.38Å; F239-G243 PolarHBondContact O-N 3.18Å |
| 240 | L | 91 | Very high | 88.4 | Confident | 126 Ų | 126 | 68.7 Ų | 68.7 | 66% | 0.66 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -66.3 | -43.1 | 171.3 | -57.6 | 177.3 | 0 | 0 | 0 | 111 | C237 S238 F242 G243 A244 | C237-L240 WeakPolarHBondContact O-CB 3.4Å; C237-L240 PolarHBondContact O-N 3.17Å; S238-L240 VanDerWaalsContact C-N 3.27Å; S238-L240 PolarHBondContact O-N 3.3Å; L240-F242 VanDerWaalsContact C-N 3.35Å; L240-G243 PolarHBondContact O-N 2.94Å; L240-A244 WeakPolarHBondContact O-CB 3.42Å; L240-A244 PolarHBondContact O-N 2.95Å |
| 241 | F | 89.6 | Confident | 88.2 | Confident | 67 Ų | 67 | 68.5 Ų | 68.5 | 29% | 0.294 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.3 | -36.5 | 173.9 | -68.8 | -67.1 | 0 | 0 | 0 | 112.5 | F196 F200 V203 C237 S238 A244 G245 | F196-F241 AromaticContact CD1-CD1 3.86Å; F196-F241 HydrophobicContact CD1-CD1 3.86Å; F196-F241 AromaticContact CE1-CD1 3.95Å; F196-F241 HydrophobicContact CE1-CD1 3.95Å; F196-F241 HydrophobicContact CE1-CE1 4.38Å; F200-F241 HydrophobicContact CB-CB 4.21Å; V203-F241 HydrophobicContact CG2-CD2 4.5Å; V203-F241 HydrophobicContact CG2-CE2 4.29Å; C237-F241 WeakPolarHBondContact O-CD2 3.37Å; C237-F241 PolarHBondContact O-N 3.08Å; S238-F241 WeakPolarHBondContact O-CB 3.37Å; S238-F241 PolarHBondContact O-N 3.44Å; S238-F241 VanDerWaalsContact O-N 3.08Å; F241-A244 PolarHBondContact O-N 3Å; F241-G245 PolarHBondContact O-N 3.43Å |
| 242 | F | 90.1 | Very high | 88.1 | Confident | 83 Ų | 83 | 68.9 Ų | 68.9 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.7 | -46.7 | 173.3 | -175.9 | -98.1 | 0 | 0 | 0 | 111.9 | Y197 F200 S238 F239 L240 A244 G245 M246 | Y197-F242 HydrophobicContact CD1-CD2 4.41Å; Y197-F242 AromaticContact CE1-CD2 3.97Å; Y197-F242 HydrophobicContact CE1-CD2 3.97Å; Y197-F242 AromaticContact CE1-CE2 3.97Å; Y197-F242 HydrophobicContact CE1-CE2 3.97Å; F200-F242 HydrophobicContact CD1-CD2 4.04Å; F200-F242 HydrophobicContact CD2-CB 3.93Å; F200-F242 AromaticContact CE1-CD2 3.83Å; F200-F242 HydrophobicContact CE1-CD2 3.83Å; F200-F242 HydrophobicContact CE2-CB 3.99Å; F200-F242 HydrophobicContact CG-CB 4.23Å; F200-F242 HydrophobicContact CG-CD2 4.47Å; F200-F242 HydrophobicContact CZ-CB 4.36Å; F200-F242 HydrophobicContact CZ-CD2 4.08Å; F200-F242 HydrophobicContact CZ-CG 4.48Å; S238-F242 PolarHBondContact O-N 3.05Å; F239-F242 PolarHBondContact O-N 3.38Å; L240-F242 VanDerWaalsContact C-N 3.35Å; F242-A244 PolarHBondContact O-N 3.26Å; F242-G245 PolarHBondContact O-N 3.45Å; F242-M246 HydrophobicContact CD1-CG 4.25Å; F242-M246 HydrophobicContact CE1-CG 3.9Å; F242-M246 HydrophobicContact CE1-SD 4.5Å; F242-M246 HydrophobicContact CZ-CG 4.13Å; F242-M246 HydrophobicContact CZ-SD 4.21Å; F242-M246 WeakPolarHBondContact O-CG 3.11Å; F242-M246 PolarHBondContact O-N 2.9Å |
| 243 | G | 90.3 | Very high | 87.7 | Confident | 40 Ų | 40 | 72.9 Ų | 72.9 | 41% | 0.412 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.9 | -41.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | F239 L240 M246 K247 | F239-G243 PolarHBondContact O-N 3.18Å; L240-G243 PolarHBondContact O-N 2.94Å; G243-M246 PolarHBondContact O-N 3.46Å; G243-K247 PolarHBondContact O-N 3.1Å |
| 244 | A | 88.2 | Confident | 87.2 | Confident | 28 Ų | 28 | 74.9 Ų | 74.9 | 23% | 0.231 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F196 L240 F241 F242 M246 K247 F248 | F196-A244 HydrophobicContact CD1-CB 4.12Å; F196-A244 HydrophobicContact CE1-CB 4.12Å; L240-A244 WeakPolarHBondContact O-CB 3.42Å; L240-A244 PolarHBondContact O-N 2.95Å; F241-A244 PolarHBondContact O-N 3Å; F242-A244 PolarHBondContact O-N 3.26Å; A244-M246 PolarHBondContact O-N 3.48Å; A244-K247 WeakPolarHBondContact O-CB 3.39Å; A244-K247 PolarHBondContact O-N 3.48Å; A244-F248 WeakPolarHBondContact O-CD2 3.24Å; A244-F248 PolarHBondContact O-N 3.22Å |
| 245 | G | 88.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -57.8 | -46.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F241 F242 K247 F248 Y249 | F241-G245 PolarHBondContact O-N 3.43Å; F242-G245 PolarHBondContact O-N 3.45Å; G245-K247 VanDerWaalsContact C-N 3.35Å; G245-K247 PolarHBondContact O-N 3.14Å; G245-F248 PolarHBondContact O-N 2.88Å; G245-Y249 VanDerWaalsContact O-CB 3.25Å; G245-Y249 WeakPolarHBondContact O-CB 3.32Å; G245-Y249 PolarHBondContact O-N 3.33Å |
| 246 | M | 87.2 | Confident | 85.3 | Confident | 93 Ų | 93 | 74 Ų | 74 | 46% | 0.458 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60 | -41.8 | 174.3 | -72.2 | -63.7 | -62.4 | 0 | 0 | 112.3 | Y197 F242 G243 A244 Y249 Y250 | Y197-M246 PolarHBondContact OH-N 3.46Å; Y197-M246 PolarHBondContact OH-SD 3.2Å; F242-M246 HydrophobicContact CD1-CG 4.25Å; F242-M246 HydrophobicContact CE1-CG 3.9Å; F242-M246 HydrophobicContact CE1-SD 4.5Å; F242-M246 HydrophobicContact CZ-CG 4.13Å; F242-M246 HydrophobicContact CZ-SD 4.21Å; F242-M246 WeakPolarHBondContact O-CG 3.11Å; F242-M246 PolarHBondContact O-N 2.9Å; G243-M246 PolarHBondContact O-N 3.46Å; A244-M246 PolarHBondContact O-N 3.48Å; M246-Y249 PolarHBondContact O-N 2.91Å; M246-Y250 WeakPolarHBondContact O-CB 3.22Å; M246-Y250 PolarHBondContact O-N 3.36Å |
| 247 | K | 88.8 | Confident | 84.1 | Confident | 138 Ų | 138 | 73.4 Ų | 73.4 | 60% | 0.6 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -63.6 | -51.1 | 176.2 | -176.7 | 177.7 | 178.1 | 178.6 | 0 | 111.8 | G243 A244 G245 Y249 Y250 D251 | G243-K247 PolarHBondContact O-N 3.1Å; A244-K247 WeakPolarHBondContact O-CB 3.39Å; A244-K247 PolarHBondContact O-N 3.48Å; G245-K247 VanDerWaalsContact C-N 3.35Å; G245-K247 PolarHBondContact O-N 3.14Å; K247-Y249 VanDerWaalsContact C-N 3.28Å; K247-Y249 PolarHBondContact O-N 3.44Å; K247-Y250 PolarHBondContact O-N 2.93Å; K247-D251 PolarHBondContact O-N 2.85Å |
| 248 | F | 85.7 | Confident | 82.9 | Confident | 64 Ų | 64 | 74.7 Ų | 74.7 | 28% | 0.281 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.1 | -32.3 | 177.6 | -74.7 | -64 | 0 | 0 | 0 | 112.8 | L189 I192 A193 F196 A244 G245 A252 | L189-F248 HydrophobicContact CD2-CD1 4.37Å; I192-F248 HydrophobicContact CG2-CG 4.45Å; A193-F248 HydrophobicContact CB-CB 3.97Å; F196-F248 AromaticContact CD2-CD2 3.61Å; F196-F248 HydrophobicContact CD2-CD2 3.61Å; F196-F248 AromaticContact CD2-CE2 3.93Å; F196-F248 HydrophobicContact CD2-CE2 3.93Å; F196-F248 AromaticContact CE2-CD2 3.5Å; F196-F248 HydrophobicContact CE2-CD2 3.5Å; F196-F248 VanDerWaalsContact CE2-CD2 3.5Å; F196-F248 AromaticContact CE2-CE2 3.29Å; F196-F248 HydrophobicContact CE2-CE2 3.29Å; F196-F248 HydrophobicContact CE2-CZ 4.18Å; F196-F248 HydrophobicContact CG-CD2 4.43Å; F196-F248 HydrophobicContact CZ-CD2 4.23Å; F196-F248 AromaticContact CZ-CE2 3.7Å; F196-F248 HydrophobicContact CZ-CE2 3.7Å; A244-F248 WeakPolarHBondContact O-CD2 3.24Å; A244-F248 PolarHBondContact O-N 3.22Å; G245-F248 PolarHBondContact O-N 2.88Å; F248-A252 VanDerWaalsContact O-CB 3.25Å; F248-A252 WeakPolarHBondContact O-CB 3.32Å; F248-A252 PolarHBondContact O-N 3.29Å |
| 249 | Y | 84.8 | Confident | 81.5 | Confident | 110 Ų | 110 | 77.2 Ų | 77.2 | 43% | 0.431 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.4 | -44.7 | 173 | -172.6 | -86.9 | 0 | 0 | 0 | 111.6 | Y190 G245 M246 K247 A252 Y253 | Y190-Y249 HydrophobicContact CE2-CD2 4.43Å; Y190-Y249 AromaticContact CE2-CE2 3.95Å; Y190-Y249 HydrophobicContact CE2-CE2 3.95Å; G245-Y249 VanDerWaalsContact O-CB 3.25Å; G245-Y249 WeakPolarHBondContact O-CB 3.32Å; G245-Y249 PolarHBondContact O-N 3.33Å; M246-Y249 PolarHBondContact O-N 2.91Å; K247-Y249 VanDerWaalsContact C-N 3.28Å; K247-Y249 PolarHBondContact O-N 3.44Å; Y249-A252 PolarHBondContact O-N 3.49Å; Y249-Y253 WeakPolarHBondContact O-CB 3.29Å; Y249-Y253 PolarHBondContact O-N 3.28Å |
| 250 | Y | 84.7 | Confident | 79.8 | Confident | 147 Ų | 147 | 76.4 Ų | 76.4 | 58% | 0.576 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63.4 | -44.2 | 174.6 | -175.2 | -91.9 | 0 | 0 | 0 | 111.8 | M246 K247 A252 Y253 R254 | M246-Y250 WeakPolarHBondContact O-CB 3.22Å; M246-Y250 PolarHBondContact O-N 3.36Å; K247-Y250 PolarHBondContact O-N 2.93Å; Y250-A252 VanDerWaalsContact C-N 3.34Å; Y250-A252 PolarHBondContact O-N 2.85Å; Y250-Y253 PolarHBondContact O-N 3.12Å; Y250-R254 HydrophobicContact CE1-CB 4.42Å; Y250-R254 VanDerWaalsContact O-CB 3.31Å; Y250-R254 WeakPolarHBondContact O-CB 3.36Å; Y250-R254 PolarHBondContact O-N 2.63Å |
| 251 | D | 81.5 | Confident | 78.1 | Confident | 59 Ų | 59 | 78.1 Ų | 78.1 | 32% | 0.316 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.9 | -38.2 | 176.7 | -71.4 | -24.7 | 0 | 0 | 0 | 111.6 | K247 L255 | K247-D251 PolarHBondContact O-N 2.85Å; D251-L255 VanDerWaalsContact O-CB 3.23Å; D251-L255 WeakPolarHBondContact O-CB 3.33Å; D251-L255 PolarHBondContact O-N 2.85Å |
| 252 | A | 79.7 | Confident | 76.3 | Confident | 10 Ų | 10 | 80 Ų | 80 | 8% | 0.083 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L189 F248 Y249 Y250 G256 | L189-A252 HydrophobicContact CB-CB 3.87Å; F248-A252 VanDerWaalsContact O-CB 3.25Å; F248-A252 WeakPolarHBondContact O-CB 3.32Å; F248-A252 PolarHBondContact O-N 3.29Å; Y249-A252 PolarHBondContact O-N 3.49Å; Y250-A252 VanDerWaalsContact C-N 3.34Å; Y250-A252 PolarHBondContact O-N 2.85Å; A252-G256 PolarHBondContact O-N 3.43Å |
| 253 | Y | 77.9 | Confident | 74.5 | Confident | 164 Ų | 164 | 78.5 Ų | 78.5 | 64% | 0.643 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -67.4 | -44 | 176.5 | -174.2 | -89.7 | 0 | 0 | 0 | 111.7 | Y249 Y250 G256 S257 | Y249-Y253 WeakPolarHBondContact O-CB 3.29Å; Y249-Y253 PolarHBondContact O-N 3.28Å; Y250-Y253 PolarHBondContact O-N 3.12Å; Y253-G256 PolarHBondContact O-N 3.44Å; Y253-S257 WeakPolarHBondContact O-CB 3.37Å; Y253-S257 PolarHBondContact O-N 2.87Å |
| 254 | R | 79.4 | Confident | 72.6 | Confident | 134 Ų | 134 | 85.6 Ų | 85.6 | 51% | 0.506 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.1 | -50.2 | 176.5 | 179.8 | 179.4 | 170.7 | 175.2 | -1.1 | 111.1 | Y250 G256 S257 E258 | Y250-R254 HydrophobicContact CE1-CB 4.42Å; Y250-R254 VanDerWaalsContact O-CB 3.31Å; Y250-R254 WeakPolarHBondContact O-CB 3.36Å; Y250-R254 PolarHBondContact O-N 2.63Å; R254-G256 VanDerWaalsContact C-N 3.3Å; R254-G256 PolarHBondContact O-N 2.85Å; R254-S257 CarbonylContact O-C 3.49Å; R254-S257 WeakPolarHBondContact O-CA 3.41Å; R254-S257 VanDerWaalsContact O-CB 3.32Å; R254-S257 WeakPolarHBondContact O-CB 3.33Å; R254-S257 PolarHBondContact O-N 3.33Å; R254-E258 IonicContact CZ-OE1 3.47Å; R254-E258 IonicContact NE-OE1 2.8Å; R254-E258 PolarHBondContact NE-OE1 3.38Å; R254-E258 IonicContact NH2-OE1 3.22Å; R254-E258 PolarHBondContact NH2-OE1 2.9Å; R254-E258 WeakPolarHBondContact O-CG 3.15Å; R254-E258 PolarHBondContact O-N 2.95Å |
| 255 | L | 72 | Confident | 70.5 | Confident | 49 Ų | 49 | 92.3 Ų | 92.3 | 26% | 0.257 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.9 | -40.2 | 176.9 | -171.9 | 70.4 | 0 | 0 | 0 | 111 | A186 L189 D251 S257 E258 E259 | A186-L255 HydrophobicContact CB-CD2 4.49Å; L189-L255 HydrophobicContact CD1-CD2 3.37Å; D251-L255 VanDerWaalsContact O-CB 3.23Å; D251-L255 WeakPolarHBondContact O-CB 3.33Å; D251-L255 PolarHBondContact O-N 2.85Å; L255-S257 VanDerWaalsContact C-N 3.29Å; L255-S257 PolarHBondContact O-N 3.35Å; L255-E258 PolarHBondContact O-N 3.02Å; L255-E259 HydrophobicContact CG-CG 4.43Å; L255-E259 WeakPolarHBondContact O-CB 3.36Å; L255-E259 WeakPolarHBondContact O-CG 3.16Å; L255-E259 PolarHBondContact O-N 3.45Å |
| 256 | G | 67.7 | Low | 68.1 | Low | 17 Ų | 17 | 99.4 Ų | 99.4 | 18% | 0.175 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -62.9 | -32.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A252 Y253 R254 R260 | A252-G256 PolarHBondContact O-N 3.43Å; Y253-G256 PolarHBondContact O-N 3.44Å; R254-G256 VanDerWaalsContact C-N 3.3Å; R254-G256 PolarHBondContact O-N 2.85Å; G256-R260 WeakPolarHBondContact O-CB 3.15Å; G256-R260 VanDerWaalsContact O-CD 3.28Å; G256-R260 WeakPolarHBondContact O-CD 3.19Å; G256-R260 WeakPolarHBondContact O-CG 3.43Å; G256-R260 PolarHBondContact O-N 3.02Å; G256-R260 VanDerWaalsContact O-N 3.11Å |
| 257 | S | 65.4 | Low | 65.7 | Low | 45 Ų | 45 | 99.5 Ų | 99.5 | 32% | 0.315 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -71.7 | -39.8 | 172.7 | -168.6 | 0 | 0 | 0 | 0 | 112.1 | Y253 R254 L255 R260 K261 | Y253-S257 WeakPolarHBondContact O-CB 3.37Å; Y253-S257 PolarHBondContact O-N 2.87Å; R254-S257 CarbonylContact O-C 3.49Å; R254-S257 WeakPolarHBondContact O-CA 3.41Å; R254-S257 VanDerWaalsContact O-CB 3.32Å; R254-S257 WeakPolarHBondContact O-CB 3.33Å; R254-S257 PolarHBondContact O-N 3.33Å; L255-S257 VanDerWaalsContact C-N 3.29Å; L255-S257 PolarHBondContact O-N 3.35Å; S257-R260 PolarHBondContact O-N 3.43Å; S257-K261 WeakPolarHBondContact O-CG 3.38Å; S257-K261 PolarHBondContact O-N 2.96Å; S257-K261 VanDerWaalsContact O-N 3.17Å |
| 258 | E | 66.2 | Low | 63.6 | Low | 71 Ų | 71 | 95.9 Ų | 95.9 | 33% | 0.332 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -69.1 | -45.9 | 176.7 | -70.6 | 172.5 | -175.3 | 0 | 0 | 111.4 | R254 L255 R260 K261 L262 | R254-E258 IonicContact CZ-OE1 3.47Å; R254-E258 IonicContact NE-OE1 2.8Å; R254-E258 PolarHBondContact NE-OE1 3.38Å; R254-E258 IonicContact NH2-OE1 3.22Å; R254-E258 PolarHBondContact NH2-OE1 2.9Å; R254-E258 WeakPolarHBondContact O-CG 3.15Å; R254-E258 PolarHBondContact O-N 2.95Å; L255-E258 PolarHBondContact O-N 3.02Å; E258-R260 VanDerWaalsContact C-N 3.29Å; E258-R260 PolarHBondContact O-N 3.17Å; E258-K261 WeakPolarHBondContact O-CB 3.49Å; E258-K261 PolarHBondContact O-N 3.02Å; E258-L262 PolarHBondContact O-N 2.87Å |
| 259 | E | 60.3 | Low | 61 | Low | 54 Ų | 54 | 95.7 Ų | 95.7 | 25% | 0.252 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -56.9 | -40.6 | 171.6 | -74.5 | -177.8 | 166.6 | 0 | 0 | 111 | R185 L255 K261 L262 | R185-E259 WeakPolarHBondContact CB-OE1 3.28Å; R185-E259 PolarHBondContact N-OE1 3.48Å; R185-E259 VanDerWaalsContact N-OE1 3.08Å; L255-E259 HydrophobicContact CG-CG 4.43Å; L255-E259 WeakPolarHBondContact O-CB 3.36Å; L255-E259 WeakPolarHBondContact O-CG 3.16Å; L255-E259 PolarHBondContact O-N 3.45Å; E259-K261 VanDerWaalsContact C-N 3.34Å; E259-K261 PolarHBondContact O-N 3.29Å; E259-L262 PolarHBondContact O-N 3.38Å |
| 260 | R | 55.5 | Low | 59.2 | Low | 106 Ų | 106 | 97.2 Ų | 97.2 | 40% | 0.4 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.6 | -28.3 | 175.4 | -78 | 167.7 | -176.1 | -123.2 | -3.3 | 114.3 | N179 G256 S257 E258 L262 | N179-R260 PolarHBondContact O-NH2 3.38Å; N179-R260 PolarHBondContact OD1-NH1 2.68Å; G256-R260 WeakPolarHBondContact O-CB 3.15Å; G256-R260 VanDerWaalsContact O-CD 3.28Å; G256-R260 WeakPolarHBondContact O-CD 3.19Å; G256-R260 WeakPolarHBondContact O-CG 3.43Å; G256-R260 PolarHBondContact O-N 3.02Å; G256-R260 VanDerWaalsContact O-N 3.11Å; S257-R260 PolarHBondContact O-N 3.43Å; E258-R260 VanDerWaalsContact C-N 3.29Å; E258-R260 PolarHBondContact O-N 3.17Å; R260-L262 VanDerWaalsContact C-N 3.33Å |
| 261 | K | 56.9 | Low | 56.8 | Low | 162 Ų | 162 | 95.1 Ų | 95.1 | 70% | 0.704 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -75 | -22.8 | 175.7 | -70.6 | 166.8 | -172 | 174.6 | 0 | 112.7 | S257 E258 E259 | S257-K261 WeakPolarHBondContact O-CG 3.38Å; S257-K261 PolarHBondContact O-N 2.96Å; S257-K261 VanDerWaalsContact O-N 3.17Å; E258-K261 WeakPolarHBondContact O-CB 3.49Å; E258-K261 PolarHBondContact O-N 3.02Å; E259-K261 VanDerWaalsContact C-N 3.34Å; E259-K261 PolarHBondContact O-N 3.29Å |
| 262 | L | 51 | Low | 54.8 | Low | 107 Ų | 107 | 96.2 Ų | 96.2 | 56% | 0.56 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -83.7 | -11.9 | 179.4 | -83.6 | 151.5 | 0 | 0 | 0 | 113.9 | E258 E259 R260 K264 | E258-L262 PolarHBondContact O-N 2.87Å; E259-L262 PolarHBondContact O-N 3.38Å; R260-L262 VanDerWaalsContact C-N 3.33Å; L262-K264 VanDerWaalsContact C-N 3.33Å; L262-K264 PolarHBondContact O-N 2.93Å |
| 263 | I | 53.5 | Low | 52.8 | Low | 50 Ų | 50 | 99.5 Ų | 99.5 | 26% | 0.256 | 52% | 0.518 | S | S | . | . | trans | -72.5 | 85.8 | 177.1 | -53.9 | 176.1 | 0 | 0 | 0 | 110.1 | I178 Y265 | I178-I263 HydrophobicContact CG2-CD1 4.42Å; I263-Y265 PolarHBondContact O-N 3.39Å | ||
| 264 | K | 49 | Very low | 50.9 | Low | 189 Ų | 189 | 94.1 Ų | 94.1 | 82% | 0.822 | 51% | 0.508 | S | S | * | . | trans | -79.9 | 107.2 | 167.3 | -71.9 | -179.9 | -179.8 | 172.6 | 0 | 109.4 | L262 K266 | L262-K264 VanDerWaalsContact C-N 3.33Å; L262-K264 PolarHBondContact O-N 2.93Å; K264-K266 PolarHBondContact O-N 3.36Å | ||
| 265 | Y | 44.4 | Very low | 49 | Very low | 169 Ų | 169 | 90.4 Ų | 90.4 | 66% | 0.663 | 50% | 0.499 | S | S | * | . | trans | -57.8 | 118.2 | 174.4 | -57.8 | -89.9 | 0 | 0 | 0 | 111.2 | I178 I263 | I178-Y265 HydrophobicContact CD1-CE1 4.17Å; I263-Y265 PolarHBondContact O-N 3.39Å | ||
| 266 | K | 39.5 | Very low | 47.8 | Very low | 150 Ų | 150 | 93.1 Ų | 93.1 | 65% | 0.652 | 52% | 0.518 | S | S | * | . | trans | -109.4 | 125.2 | 157 | -81.2 | -166.7 | 172.2 | -170.8 | 0 | 108.4 | K264 A268 | K264-K266 PolarHBondContact O-N 3.36Å; K266-A268 PolarHBondContact O-N 2.7Å | ||
| 267 | A | 35.9 | Very low | 46.6 | Very low | 94 Ų | 94 | 96.8 Ų | 96.8 | 78% | 0.777 | 54% | 0.537 | S | S | * | . | trans | -65.9 | 119.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 268 | A | 44.6 | Very low | 45.7 | Very low | 63 Ų | 63 | 100.1 Ų | 100.1 | 52% | 0.521 | 56% | 0.556 | S | S | . | * | trans | -85.6 | -34.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | K266 T272 A274 | K266-A268 PolarHBondContact O-N 2.7Å; A268-T272 PolarHBondContact N-O 2.88Å; A268-A274 HydrophobicContact CB-CB 3.76Å | ||
| 269 | S | 32.2 | Very low | 44.4 | Very low | 59 Ų | 59 | 101.3 Ų | 101.3 | 41% | 0.413 | 56% | 0.564 | S | S | . | * | B | Isolated β-bridge | trans | -161.3 | 162.1 | 172.3 | -158.8 | 0 | 0 | 0 | 0 | 110 | S271 T272 | S269-S271 PolarHBondContact O-N 3.49Å; S269-T272 VanDerWaalsContact CB-OG1 3.31Å; S269-T272 WeakPolarHBondContact CB-OG1 3.25Å; S269-T272 PolarHBondContact N-O 2.79Å; S269-T272 VanDerWaalsContact N-O 3.13Å; S269-T272 PolarHBondContact O-N 3.03Å; S269-T272 VanDerWaalsContact O-N 3.12Å; S269-T272 VanDerWaalsContact O-O 3.12Å |
| 270 | P | 46.1 | Very low | 43.7 | Very low | 143 Ų | 143 | 102.8 Ų | 102.8 | 93% | 0.929 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | -10.1 | 177.9 | -26.5 | 36.8 | 0 | 0 | 0 | 115.9 | ||
| 271 | S | 35 | Very low | 43.1 | Very low | 103 Ų | 103 | 106.3 Ų | 106.3 | 72% | 0.72 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.1 | -4.1 | 177.8 | 56.8 | 0 | 0 | 0 | 0 | 114.6 | S269 | S269-S271 PolarHBondContact O-N 3.49Š|
| 272 | T | 37.8 | Very low | 42.4 | Very low | 81 Ų | 81 | 104.2 Ų | 104.2 | 50% | 0.497 | 59% | 0.585 | S | S | . | * | B | Isolated β-bridge | trans | -142.4 | 127.2 | -175.7 | 48.3 | 0 | 0 | 0 | 0 | 113 | A268 S269 | A268-T272 PolarHBondContact N-O 2.88Å; S269-T272 VanDerWaalsContact CB-OG1 3.31Å; S269-T272 WeakPolarHBondContact CB-OG1 3.25Å; S269-T272 PolarHBondContact N-O 2.79Å; S269-T272 VanDerWaalsContact N-O 3.13Å; S269-T272 PolarHBondContact O-N 3.03Å; S269-T272 VanDerWaalsContact O-N 3.12Å; S269-T272 VanDerWaalsContact O-O 3.12Å |
| 273 | V | 37.9 | Very low | 42 | Very low | 79 Ų | 79 | 102.8 Ų | 102.8 | 48% | 0.479 | 58% | 0.581 | S | S | . | * | trans | -103.5 | 101 | 171.7 | -178.1 | 0 | 0 | 0 | 0 | 108 | V275 | V273-V275 PolarHBondContact O-N 2.88Š| ||
| 274 | A | 38.2 | Very low | 41.3 | Very low | 52 Ų | 52 | 105.2 Ų | 105.2 | 43% | 0.43 | 59% | 0.594 | S | S | . | * | trans | -80.1 | 110.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | A268 T276 | A268-A274 HydrophobicContact CB-CB 3.76Å; A274-T276 VanDerWaalsContact C-N 3.34Å; A274-T276 PolarHBondContact O-N 2.75Å | ||
| 275 | V | 40.3 | Very low | 40.7 | Very low | 55 Ų | 55 | 99.6 Ų | 99.6 | 33% | 0.333 | 59% | 0.59 | S | S | . | * | trans | -78.4 | 87.7 | 171.6 | -177.3 | 0 | 0 | 0 | 0 | 108.3 | I178 V273 T277 | I178-V275 HydrophobicContact CD1-CG2 4.22Å; I178-V275 HydrophobicContact CG1-CG2 4.45Å; V273-V275 PolarHBondContact O-N 2.88Å; V275-T277 PolarHBondContact O-N 2.87Å | ||
| 276 | T | 45.6 | Very low | 40.4 | Very low | 106 Ų | 106 | 100.6 Ų | 100.6 | 65% | 0.65 | 60% | 0.601 | S | S | * | * | trans | -80.3 | 101.7 | 168 | 45.1 | 0 | 0 | 0 | 0 | 109.1 | A274 V278 | A274-T276 VanDerWaalsContact C-N 3.34Å; A274-T276 PolarHBondContact O-N 2.75Å; T276-V278 PolarHBondContact O-N 3.25Å; T276-V278 VanDerWaalsContact O-N 3.09Å | ||
| 277 | T | 44 | Very low | 40.1 | Very low | 94 Ų | 94 | 101 Ų | 101 | 58% | 0.577 | 61% | 0.605 | S | S | * | * | trans | -64.5 | 108.5 | 163.3 | 49.4 | 0 | 0 | 0 | 0 | 107.8 | V275 D279 | V275-T277 PolarHBondContact O-N 2.87Å; T277-D279 PolarHBondContact O-N 3.46Å | ||
| 278 | V | 45.6 | Very low | 39.9 | Very low | 116 Ų | 116 | 105.1 Ų | 105.1 | 70% | 0.703 | 61% | 0.605 | S | S | * | * | trans | -66.2 | 103.5 | 167.7 | 178.8 | 0 | 0 | 0 | 0 | 106.5 | T276 Q280 | T276-V278 PolarHBondContact O-N 3.25Å; T276-V278 VanDerWaalsContact O-N 3.09Å; V278-Q280 PolarHBondContact O-N 3.43Å | ||
| 279 | D | 39.4 | Very low | 39.3 | Very low | 96 Ų | 96 | 110.4 Ų | 110.4 | 51% | 0.513 | 62% | 0.624 | S | S | . | * | trans | -73.4 | 87.6 | 173.6 | -167.5 | -0.2 | 0 | 0 | 0 | 108.3 | T277 R281 V282 | T277-D279 PolarHBondContact O-N 3.46Å; D279-R281 PolarHBondContact O-N 3.31Å; D279-R281 PolarHBondContact OD1-N 2.79Å; D279-V282 PolarHBondContact O-N 2.9Å | ||
| 280 | Q | 45.7 | Very low | 39.4 | Very low | 85 Ų | 85 | 113.3 Ų | 113.3 | 40% | 0.397 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.7 | -10.1 | -176.8 | -174.6 | 165 | -1.3 | 0 | 0 | 112.7 | V278 V282 D284 | V278-Q280 PolarHBondContact O-N 3.43Å; Q280-V282 VanDerWaalsContact C-N 3.31Å; Q280-V282 PolarHBondContact O-N 2.79Å; Q280-D284 VanDerWaalsContact CG-OD2 3.25Å; Q280-D284 WeakPolarHBondContact CG-OD2 3.24Å; Q280-D284 PolarHBondContact NE2-OD2 2.99Å |
| 281 | R | 41.8 | Very low | 38.8 | Very low | 180 Ų | 180 | 112.1 Ų | 112.1 | 68% | 0.679 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | 2.9 | 174.7 | -58.1 | -143.3 | -170.8 | -169.8 | -1.5 | 115.4 | D279 | D279-R281 PolarHBondContact O-N 3.31Å; D279-R281 PolarHBondContact OD1-N 2.79Å |
| 282 | V | 43.6 | Very low | 39 | Very low | 117 Ų | 117 | 110.8 Ų | 110.8 | 71% | 0.709 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.5 | -18 | 173.9 | -173.5 | 0 | 0 | 0 | 0 | 112.6 | D279 Q280 | D279-V282 PolarHBondContact O-N 2.9Å; Q280-V282 VanDerWaalsContact C-N 3.31Å; Q280-V282 PolarHBondContact O-N 2.79Å |
| 283 | T | 41.4 | Very low | 39 | Very low | 77 Ų | 77 | 115.7 Ų | 115.7 | 47% | 0.472 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.9 | -28.3 | -178.9 | 37.6 | 0 | 0 | 0 | 0 | 115 | G285 E286 | T283-G285 PolarHBondContact O-N 3.44Å; T283-E286 PolarHBondContact O-N 3.36Å |
| 284 | D | 38.3 | Very low | 39.2 | Very low | 102 Ų | 102 | 118.4 Ų | 118.4 | 55% | 0.545 | 67% | 0.671 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.7 | 8.8 | -178.6 | -66.6 | 3.1 | 0 | 0 | 0 | 113.3 | Q280 | Q280-D284 VanDerWaalsContact CG-OD2 3.25Å; Q280-D284 WeakPolarHBondContact CG-OD2 3.24Å; Q280-D284 PolarHBondContact NE2-OD2 2.99Å |
| 285 | G | 36.8 | Very low | 39.4 | Very low | 71 Ų | 71 | 119.8 Ų | 119.8 | 73% | 0.732 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -21.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | T283 | T283-G285 PolarHBondContact O-N 3.44Š|
| 286 | E | 38.4 | Very low | 39.9 | Very low | 189 Ų | 189 | 126.9 Ų | 126.9 | 88% | 0.883 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.4 | -24.4 | -179.5 | -67.8 | -166.4 | 156.8 | 0 | 0 | 113.6 | T283 K288 | T283-E286 PolarHBondContact O-N 3.36Å; E286-K288 PolarHBondContact O-N 3.16Å |
| 287 | E | 34 | Very low | 40.1 | Very low | 160 Ų | 160 | 128.6 Ų | 128.6 | 75% | 0.748 | 71% | 0.709 | S | S | * | * | trans | -80.6 | 51.4 | 170.6 | -67.7 | -165.6 | 163.4 | 0 | 0 | 112.3 | L289 | E287-L289 PolarHBondContact O-N 2.92Å; E287-L289 VanDerWaalsContact O-N 3.17Å | ||
| 288 | K | 31.2 | Very low | 40.2 | Very low | 179 Ų | 179 | 127.4 Ų | 127.4 | 78% | 0.778 | 71% | 0.708 | S | S | * | * | trans | -62.4 | 117.9 | 159 | -172.4 | 176.9 | -175.4 | 179.8 | 0 | 106.6 | E286 V290 | E286-K288 PolarHBondContact O-N 3.16Å; K288-V290 PolarHBondContact O-N 3.25Å | ||
| 289 | L | 32.2 | Very low | 40.3 | Very low | 175 Ų | 175 | 129.5 Ų | 129.5 | 92% | 0.916 | 72% | 0.715 | S | S | * | * | trans | -60.7 | 76.7 | -177.3 | -68.8 | 163.8 | 0 | 0 | 0 | 112.3 | E287 S291 | E287-L289 PolarHBondContact O-N 2.92Å; E287-L289 VanDerWaalsContact O-N 3.17Å; L289-S291 PolarHBondContact O-N 3.33Å | ||
| 290 | V | 33.8 | Very low | 40.7 | Very low | 119 Ų | 119 | 130 Ų | 130 | 72% | 0.721 | 73% | 0.726 | S | S | * | * | trans | -80.2 | 97 | 167.3 | -179.6 | 0 | 0 | 0 | 0 | 107.1 | K288 G292 | K288-V290 PolarHBondContact O-N 3.25Å; V290-G292 PolarHBondContact O-N 2.74Å | ||
| 291 | S | 34.7 | Very low | 40.8 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -31.9 | 125.1 | 166.3 | -173.9 | 0 | 0 | 0 | 0 | 113 | L289 | L289-S291 PolarHBondContact O-N 3.33Š|
| 292 | G | 37.7 | Very low | 41 | Very low | 76 Ų | 76 | 131.4 Ų | 131.4 | 78% | 0.784 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 99.7 | 3.4 | 153.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | V290 | V290-G292 PolarHBondContact O-N 2.74Š|
| 293 | Q | 39.2 | Very low | 41.2 | Very low | 183 Ų | 183 | 131.7 Ų | 131.7 | 86% | 0.855 | 75% | 0.749 | S | S | * | * | trans | -121 | 107.9 | 174.3 | -75.3 | -169.3 | -11.1 | 0 | 0 | 114.2 | S295 | Q293-S295 PolarHBondContact O-N 2.78Š| ||
| 294 | T | 41.1 | Very low | 41.3 | Very low | 137 Ų | 137 | 136.6 Ų | 136.6 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | trans | -75.4 | 110.1 | 171.7 | 54.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 295 | S | 41.9 | Very low | 41.3 | Very low | 80 Ų | 80 | 135.3 Ų | 135.3 | 56% | 0.559 | 78% | 0.781 | S | S | * | * | trans | -67.8 | 144.2 | 173.9 | 92.4 | 0 | 0 | 0 | 0 | 110.8 | Q293 N297 A298 | Q293-S295 PolarHBondContact O-N 2.78Å; S295-N297 PolarHBondContact O-N 3.31Å; S295-A298 WeakPolarHBondContact O-CB 3.5Å; S295-A298 PolarHBondContact O-N 3.4Å | ||
| 296 | K | 51.3 | Low | 41.6 | Very low | 204 Ų | 204 | 137.2 Ų | 137.2 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | G | 310 helix | trans | -63 | -12.1 | -173.7 | -63.9 | 177.7 | -179.5 | 177.1 | 0 | 113.9 | ||
| 297 | N | 49.1 | Very low | 41.6 | Very low | 143 Ų | 143 | 139.9 Ų | 139.9 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | G | 310 helix | trans | -83.7 | -8.1 | 176 | -70.3 | -30.1 | 0 | 0 | 0 | 114 | S295 L299 | S295-N297 PolarHBondContact O-N 3.31Å; N297-L299 VanDerWaalsContact C-N 3.32Å |
| 298 | A | 47.2 | Very low | 42 | Very low | 68 Ų | 68 | 138.8 Ų | 138.8 | 56% | 0.562 | 79% | 0.79 | S | S | * | * | G | 310 helix | trans | -72.4 | -22.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | S295 S300 | S295-A298 WeakPolarHBondContact O-CB 3.5Å; S295-A298 PolarHBondContact O-N 3.4Å; A298-S300 PolarHBondContact O-N 3.22Å |
| 299 | L | 46.6 | Very low | 42.5 | Very low | 160 Ų | 160 | 136.2 Ų | 136.2 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | G | 310 helix | trans | -79 | -14.6 | -169 | -143.8 | 75.4 | 0 | 0 | 0 | 114.7 | N297 | N297-L299 VanDerWaalsContact C-N 3.32Š|
| 300 | S | 49.5 | Very low | 43 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | G | 310 helix | trans | -84.7 | -4.8 | -177.7 | 66.5 | 0 | 0 | 0 | 0 | 114.6 | A298 | A298-S300 PolarHBondContact O-N 3.22Š|
| 301 | R | 47.1 | Very low | 43.5 | Very low | 215 Ų | 215 | 137.7 Ų | 137.7 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | -101.9 | 58.1 | 173.4 | -74.8 | -173.4 | 173.4 | 166.9 | 4.3 | 111.9 | ||||
| 302 | A | 46.4 | Very low | 44.2 | Very low | 79 Ų | 79 | 139.7 Ų | 139.7 | 65% | 0.653 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 144.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 303 | P | 46.5 | Very low | 44.5 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 137.4 | -177.9 | -12.1 | 27.4 | 0 | 0 | 0 | 111.8 | G305 | P303-G305 PolarHBondContact O-N 3.24Š|
| 304 | I | 44.9 | Very low | 44.8 | Very low | 180 Ų | 180 | 142.4 Ų | 142.4 | 92% | 0.923 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -69.3 | 117.5 | 168.3 | -62.2 | 168.1 | 0 | 0 | 0 | 108.5 | ||
| 305 | G | 37.9 | Very low | 45 | Very low | 75 Ų | 75 | 142.6 Ų | 142.6 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | 114.9 | 69.2 | 159.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | P303 | P303-G305 PolarHBondContact O-N 3.24Š| ||
| 306 | S | 43.9 | Very low | 45.2 | Very low | 111 Ų | 111 | 146.1 Ų | 146.1 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | trans | -133.2 | 127.9 | 151 | 49.8 | 0 | 0 | 0 | 0 | 109.7 | T308 | S306-T308 PolarHBondContact O-N 2.9Š| ||
| 307 | R | 38.1 | Very low | 44.8 | Very low | 246 Ų | 246 | 142.7 Ų | 142.7 | 93% | 0.928 | 81% | 0.81 | S | S | * | * | trans | -55 | 129.7 | -177.2 | -73.5 | 161 | 146.6 | 171.1 | -11.3 | 112.1 | ||||
| 308 | T | 41 | Very low | 44.5 | Very low | 137 Ų | 137 | 142.7 Ų | 142.7 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | trans | -111.7 | 108.6 | 151.9 | 18 | 0 | 0 | 0 | 0 | 109 | S306 | S306-T308 PolarHBondContact O-N 2.9Š| ||
| 309 | T | 42.6 | Very low | 44.4 | Very low | 124 Ų | 124 | 147.7 Ų | 147.7 | 76% | 0.761 | 83% | 0.83 | S | S | * | * | trans | -88.2 | 102.8 | 163.5 | 43.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 310 | L | 41.6 | Very low | 44.2 | Very low | 165 Ų | 165 | 146.8 Ų | 146.8 | 86% | 0.864 | 83% | 0.829 | S | S | * | * | trans | -73.3 | 125.6 | 164.1 | -82.8 | 160.4 | 0 | 0 | 0 | 108.7 | ||||
| 311 | I | 45.4 | Very low | 43.8 | Very low | 160 Ų | 160 | 149.8 Ų | 149.8 | 82% | 0.821 | 84% | 0.835 | S | S | * | * | trans | -124.7 | 125.9 | 160.5 | -63 | 176.2 | 0 | 0 | 0 | 105.5 | ||||
| 312 | M | 48.4 | Very low | 43.5 | Very low | 160 Ų | 160 | 144.4 Ų | 144.4 | 79% | 0.788 | 84% | 0.837 | S | S | * | * | trans | -137.8 | 131.4 | -177.9 | 169.3 | -177.8 | 167.8 | 0 | 0 | 107.1 | ||||
| 313 | P | 45.7 | Very low | 43.3 | Very low | 173 Ų | 173 | 150.4 Ų | 150.4 | 100% | 1.123 | 85% | 0.854 | S | S | * | * | -89.8 | 0 | 129.8 | 33.5 | -29 | 0 | 0 | 0 | 110.6 |
Retrieved 313 of 313 residues in 665.1 ms
(Link to these results)