| 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 | 39.8 | Very low | 35.7 | Very low | 188 Ų | 188 | 129 Ų | 129 | 93% | 0.926 | 65% | 0.652 | S | S | * | * | 0 | -76.2 | 0 | -149.4 | 157.5 | -178.6 | 0 | 0 | 110 | L3 C4 | M1-L3 VanDerWaalsContact C-N 3.35Å; M1-L3 PolarHBondContact O-N 3.36Å; M1-C4 PolarHBondContact O-N 2.88Å | |||
| 2 | Y | 27.8 | Very low | 36.4 | Very low | 198 Ų | 198 | 127.4 Ų | 127.4 | 78% | 0.776 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -39.9 | -46.5 | -178 | -87.3 | -92.4 | 0 | 0 | 0 | 117.6 | C4 T5 L6 | Y2-C4 PolarHBondContact O-N 3.02Å; Y2-C4 VanDerWaalsContact O-N 3.17Å; Y2-T5 WeakPolarHBondContact O-CB 3.49Å; Y2-T5 PolarHBondContact O-N 2.93Å; Y2-L6 PolarHBondContact O-N 3.23Å |
| 3 | L | 33 | Very low | 36.7 | Very low | 148 Ų | 148 | 130 Ų | 130 | 78% | 0.775 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -57.5 | -31.2 | -179.1 | -70.4 | 170.5 | 0 | 0 | 0 | 113.7 | M1 D7 | M1-L3 VanDerWaalsContact C-N 3.35Å; M1-L3 PolarHBondContact O-N 3.36Å; L3-D7 PolarHBondContact O-N 3.35Å |
| 4 | C | 30.5 | Very low | 36.6 | Very low | 77 Ų | 77 | 128.2 Ų | 128.2 | 52% | 0.52 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -76.8 | -24 | 178.7 | -163.7 | 0 | 0 | 0 | 0 | 112.7 | M1 Y2 I8 | M1-C4 PolarHBondContact O-N 2.88Å; Y2-C4 PolarHBondContact O-N 3.02Å; Y2-C4 VanDerWaalsContact O-N 3.17Å; C4-I8 WeakPolarHBondContact O-CD1 3.28Å; C4-I8 WeakPolarHBondContact O-CG1 3.48Å |
| 5 | T | 39.8 | Very low | 36.6 | Very low | 92 Ų | 92 | 125.8 Ų | 125.8 | 56% | 0.564 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -77.1 | -39.7 | 177.6 | -44.3 | 0 | 0 | 0 | 0 | 111.1 | Y2 I8 Q9 | Y2-T5 WeakPolarHBondContact O-CB 3.49Å; Y2-T5 PolarHBondContact O-N 2.93Å; T5-I8 PolarHBondContact O-N 2.77Å; T5-Q9 PolarHBondContact O-N 2.91Å |
| 6 | L | 38.8 | Very low | 36.8 | Very low | 106 Ų | 106 | 129.6 Ų | 129.6 | 56% | 0.555 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -64.6 | -38.3 | 178.3 | -71.9 | 168.1 | 0 | 0 | 0 | 112.5 | Y2 Q9 K10 | Y2-L6 PolarHBondContact O-N 3.23Å; L6-Q9 PolarHBondContact O-N 2.9Å; L6-K10 WeakPolarHBondContact O-CB 3.47Å; L6-K10 PolarHBondContact O-N 3.38Å |
| 7 | D | 35.7 | Very low | 36.5 | Very low | 117 Ų | 117 | 128.8 Ų | 128.8 | 63% | 0.626 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -65.1 | -40.5 | 179.4 | -141.9 | -100.2 | 0 | 0 | 0 | 111.9 | L3 T11 | L3-D7 PolarHBondContact O-N 3.35Å; D7-T11 PolarHBondContact O-N 3.33Å; D7-T11 VanDerWaalsContact O-N 3.11Å; D7-T11 PolarHBondContact O-OG1 3Å |
| 8 | I | 37.3 | Very low | 36.5 | Very low | 96 Ų | 96 | 129.1 Ų | 129.1 | 49% | 0.492 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -64.4 | -50.7 | 176 | -67.2 | 169.6 | 0 | 0 | 0 | 110.7 | C4 T5 K10 T11 E12 | C4-I8 WeakPolarHBondContact O-CD1 3.28Å; C4-I8 WeakPolarHBondContact O-CG1 3.48Å; T5-I8 PolarHBondContact O-N 2.77Å; I8-K10 VanDerWaalsContact C-N 3.3Å; I8-K10 PolarHBondContact O-N 3.21Å; I8-T11 WeakPolarHBondContact O-CA 3.32Å; I8-T11 WeakPolarHBondContact O-CB 3.34Å; I8-T11 PolarHBondContact O-N 3.24Å; I8-E12 PolarHBondContact O-N 3.18Å; I8-E12 VanDerWaalsContact O-N 3.14Å |
| 9 | Q | 38.3 | Very low | 36.4 | Very low | 135 Ų | 135 | 131.8 Ų | 131.8 | 63% | 0.631 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -63.2 | -37.8 | -178.6 | -164.1 | -173.9 | 10.9 | 0 | 0 | 112 | T5 L6 T11 E12 E13 | T5-Q9 PolarHBondContact O-N 2.91Å; L6-Q9 PolarHBondContact O-N 2.9Å; Q9-T11 PolarHBondContact O-N 3.06Å; Q9-E12 PolarHBondContact O-N 2.92Å; Q9-E13 PolarHBondContact O-N 3.32Å |
| 10 | K | 34.5 | Very low | 36.3 | Very low | 170 Ų | 170 | 130 Ų | 130 | 74% | 0.739 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -67.7 | -22 | 175.6 | -167.9 | 162.8 | -173.1 | 168.6 | 0 | 113.3 | L6 I8 | L6-K10 WeakPolarHBondContact O-CB 3.47Å; L6-K10 PolarHBondContact O-N 3.38Å; I8-K10 VanDerWaalsContact C-N 3.3Å; I8-K10 PolarHBondContact O-N 3.21Å |
| 11 | T | 36.6 | Very low | 36.6 | Very low | 92 Ų | 92 | 131.6 Ų | 131.6 | 56% | 0.564 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -78.8 | -35.3 | 173.4 | -55.5 | 0 | 0 | 0 | 0 | 111.7 | D7 I8 Q9 | D7-T11 PolarHBondContact O-N 3.33Å; D7-T11 VanDerWaalsContact O-N 3.11Å; D7-T11 PolarHBondContact O-OG1 3Å; I8-T11 WeakPolarHBondContact O-CA 3.32Å; I8-T11 WeakPolarHBondContact O-CB 3.34Å; I8-T11 PolarHBondContact O-N 3.24Å; Q9-T11 PolarHBondContact O-N 3.06Å |
| 12 | E | 44.2 | Very low | 36.2 | Very low | 110 Ų | 110 | 127.4 Ų | 127.4 | 51% | 0.514 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -67.1 | -44.5 | 178.2 | -75.8 | -168.7 | 88.6 | 0 | 0 | 113.4 | I8 Q9 S14 S15 Y16 | I8-E12 PolarHBondContact O-N 3.18Å; I8-E12 VanDerWaalsContact O-N 3.14Å; Q9-E12 PolarHBondContact O-N 2.92Å; E12-S14 PolarHBondContact O-N 3.2Å; E12-S14 VanDerWaalsContact O-N 3.16Å; E12-S15 PolarHBondContact O-N 3.3Å; E12-Y16 WeakPolarHBondContact O-CD2 3.03Å |
| 13 | E | 40.1 | Very low | 36.8 | Very low | 161 Ų | 161 | 127 Ų | 127 | 75% | 0.752 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -55.6 | -36.1 | 179 | -91.9 | -152 | 108.5 | 0 | 0 | 113 | Q9 S15 | Q9-E13 PolarHBondContact O-N 3.32Å; E13-S15 PolarHBondContact O-N 3.44Å |
| 14 | S | 35.3 | Very low | 36.7 | Very low | 105 Ų | 105 | 125.7 Ų | 125.7 | 73% | 0.734 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -18.9 | -178 | -163 | 0 | 0 | 0 | 0 | 113.6 | E12 | E12-S14 PolarHBondContact O-N 3.2Å; E12-S14 VanDerWaalsContact O-N 3.16Å |
| 15 | S | 37.4 | Very low | 37 | Very low | 92 Ų | 92 | 130.5 Ų | 130.5 | 64% | 0.643 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -4.5 | -170 | -165.7 | 0 | 0 | 0 | 0 | 115.5 | E12 E13 | E12-S15 PolarHBondContact O-N 3.3Å; E13-S15 PolarHBondContact O-N 3.44Å |
| 16 | Y | 39.1 | Very low | 36.6 | Very low | 187 Ų | 187 | 131 Ų | 131 | 73% | 0.733 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -110.9 | -6.1 | -175.1 | -71.9 | -75.2 | 0 | 0 | 0 | 114.9 | E12 T18 | E12-Y16 WeakPolarHBondContact O-CD2 3.03Å; Y16-T18 PolarHBondContact O-N 3.38Å |
| 17 | C | 32 | Very low | 36.4 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 78% | 0.777 | 71% | 0.711 | S | S | * | * | trans | -100.1 | 34.9 | -164 | -145.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 18 | T | 37.7 | Very low | 36.2 | Very low | 134 Ų | 134 | 133.5 Ų | 133.5 | 82% | 0.822 | 71% | 0.713 | S | S | * | * | trans | -139.9 | 60.3 | 175 | 56.6 | 0 | 0 | 0 | 0 | 114.2 | Y16 | Y16-T18 PolarHBondContact O-N 3.38Š| ||
| 19 | H | 33.8 | Very low | 36 | Very low | 182 Ų | 182 | 136.6 Ų | 136.6 | 84% | 0.843 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -145.9 | 103.2 | 157.8 | -150.2 | -97.9 | 0 | 0 | 0 | 115.2 | ||
| 20 | S | 33.5 | Very low | 35.8 | Very low | 94 Ų | 94 | 135.7 Ų | 135.7 | 66% | 0.657 | 73% | 0.729 | S | S | * | * | trans | 51.6 | 106.3 | 157.2 | -153 | 0 | 0 | 0 | 0 | 119.5 | S22 | S20-S22 PolarHBondContact O-N 3.06Š| ||
| 21 | L | 43.3 | Very low | 35.8 | Very low | 164 Ų | 164 | 134.4 Ų | 134.4 | 86% | 0.859 | 73% | 0.725 | S | S | * | * | trans | -63.9 | 114.1 | 160.6 | 179 | 75.1 | 0 | 0 | 0 | 110.4 | ||||
| 22 | S | 31.9 | Very low | 35.8 | Very low | 101 Ų | 101 | 135.2 Ų | 135.2 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | trans | -158 | 123 | 162.8 | -78 | 0 | 0 | 0 | 0 | 110.7 | S20 T24 | S20-S22 PolarHBondContact O-N 3.06Å; S22-T24 PolarHBondContact O-N 3.32Å | ||
| 23 | H | 39.3 | Very low | 35.7 | Very low | 189 Ų | 189 | 138 Ų | 138 | 88% | 0.875 | 74% | 0.743 | S | S | * | * | trans | -77.5 | 109.4 | -176.5 | -108.6 | -105.7 | 0 | 0 | 0 | 112 | ||||
| 24 | T | 31.1 | Very low | 35.8 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 74% | 0.742 | 74% | 0.743 | S | S | * | * | trans | -141.1 | 121.9 | 156.8 | -48.6 | 0 | 0 | 0 | 0 | 109.6 | S22 T26 | S22-T24 PolarHBondContact O-N 3.32Å; T24-T26 PolarHBondContact O-N 2.93Å | ||
| 25 | H | 36.9 | Very low | 36.5 | Very low | 178 Ų | 178 | 137.5 Ų | 137.5 | 82% | 0.824 | 74% | 0.741 | S | S | * | * | trans | -83.9 | 95.7 | -177 | 178.3 | -80.7 | 0 | 0 | 0 | 111.3 | ||||
| 26 | T | 31.9 | Very low | 37.1 | Very low | 101 Ų | 101 | 136.8 Ų | 136.8 | 62% | 0.62 | 73% | 0.734 | S | S | * | * | trans | -125.4 | 104.7 | 178.7 | -50.9 | 0 | 0 | 0 | 0 | 110.8 | T24 T28 | T24-T26 PolarHBondContact O-N 2.93Å; T26-T28 PolarHBondContact O-N 3.13Å; T26-T28 PolarHBondContact O-OG1 3.44Å | ||
| 27 | H | 34.4 | Very low | 37.7 | Very low | 168 Ų | 168 | 133 Ų | 133 | 78% | 0.778 | 73% | 0.732 | S | S | * | * | trans | -65.8 | 96.3 | -174.6 | -172.2 | -79.9 | 0 | 0 | 0 | 111.9 | ||||
| 28 | T | 32.3 | Very low | 38.3 | Very low | 108 Ų | 108 | 130.7 Ų | 130.7 | 66% | 0.663 | 72% | 0.722 | S | S | * | * | trans | -110.5 | 122.2 | -174 | -52.5 | 0 | 0 | 0 | 0 | 109.8 | T26 T30 | T26-T28 PolarHBondContact O-N 3.13Å; T26-T28 PolarHBondContact O-OG1 3.44Å; T28-T30 PolarHBondContact O-N 2.85Å | ||
| 29 | H | 33 | Very low | 38.7 | Very low | 161 Ų | 161 | 126.8 Ų | 126.8 | 75% | 0.745 | 70% | 0.698 | S | S | * | * | trans | -82.2 | 86.2 | -171.7 | -166.5 | -77.6 | 0 | 0 | 0 | 111.5 | H31 | H29-H31 PolarHBondContact O-N 2.97Š| ||
| 30 | T | 34.2 | Very low | 39.6 | Very low | 117 Ų | 117 | 123 Ų | 123 | 72% | 0.718 | 68% | 0.683 | S | S | * | * | trans | -61.2 | 103.9 | -179.3 | -53.4 | 0 | 0 | 0 | 0 | 111.5 | T28 T32 | T28-T30 PolarHBondContact O-N 2.85Å; T30-T32 PolarHBondContact O-N 3.4Å; T30-T32 VanDerWaalsContact O-N 3.07Å | ||
| 31 | H | 33.2 | Very low | 40.4 | Very low | 143 Ų | 143 | 123.7 Ų | 123.7 | 66% | 0.662 | 68% | 0.676 | S | S | * | * | trans | -80.9 | 86.3 | 176.8 | -165.6 | -79.7 | 0 | 0 | 0 | 110.2 | H29 H33 | H29-H31 PolarHBondContact O-N 2.97Å; H31-H33 PolarHBondContact O-N 3.25Å | ||
| 32 | T | 37.5 | Very low | 40.6 | Very low | 109 Ų | 109 | 120.5 Ų | 120.5 | 67% | 0.669 | 66% | 0.659 | S | S | * | * | trans | -54.3 | 111.2 | 178 | -51.4 | 0 | 0 | 0 | 0 | 110.4 | T30 T34 | T30-T32 PolarHBondContact O-N 3.4Å; T30-T32 VanDerWaalsContact O-N 3.07Å; T32-T34 VanDerWaalsContact C-N 3.32Å; T32-T34 PolarHBondContact O-N 2.95Å | ||
| 33 | H | 42.1 | Very low | 41.5 | Very low | 167 Ų | 167 | 120.1 Ų | 120.1 | 77% | 0.773 | 65% | 0.649 | S | S | * | * | trans | -78.7 | 81.5 | -179.3 | -114 | -83.3 | 0 | 0 | 0 | 110.3 | H31 L35 | H31-H33 PolarHBondContact O-N 3.25Å; H33-L35 PolarHBondContact O-N 3.21Å; H33-L35 VanDerWaalsContact O-N 3.1Å | ||
| 34 | T | 42.9 | Very low | 42.1 | Very low | 125 Ų | 125 | 114.9 Ų | 114.9 | 77% | 0.767 | 63% | 0.625 | S | S | * | * | trans | -56.3 | 115.6 | 173.7 | -37.4 | 0 | 0 | 0 | 0 | 109.4 | T32 | T32-T34 VanDerWaalsContact C-N 3.32Å; T32-T34 PolarHBondContact O-N 2.95Å | ||
| 35 | L | 49.6 | Very low | 43.1 | Very low | 132 Ų | 132 | 112.2 Ų | 112.2 | 69% | 0.691 | 61% | 0.605 | S | S | * | * | trans | -60.8 | 134 | 176.6 | -78.6 | 161.3 | 0 | 0 | 0 | 109.5 | H33 V39 | H33-L35 PolarHBondContact O-N 3.21Å; H33-L35 VanDerWaalsContact O-N 3.1Å; L35-V39 HydrophobicContact CD2-CG1 4.46Å | ||
| 36 | P | 50.1 | Low | 43.8 | Very low | 77 Ų | 77 | 106.6 Ų | 106.6 | 50% | 0.5 | 58% | 0.581 | S | S | . | * | trans | -65.2 | 145.2 | -176.5 | 26 | -33.2 | 0 | 0 | 0 | 110.5 | A38 V39 | P36-A38 PolarHBondContact O-N 3.27Å; P36-V39 HydrophobicContact CG-CG2 4.01Å; P36-V39 WeakPolarHBondContact O-CB 3.46Å; P36-V39 PolarHBondContact O-N 3.45Å | ||
| 37 | P | 51.1 | Low | 44.7 | Very low | 106 Ų | 106 | 105.5 Ų | 105.5 | 69% | 0.688 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -57.6 | -30.5 | -167.7 | 19.6 | -32.4 | 0 | 0 | 0 | 113.9 | V39 L40 E41 | P37-V39 PolarHBondContact O-N 3.3Å; P37-L40 WeakPolarHBondContact O-CB 3.45Å; P37-L40 PolarHBondContact O-N 3.36Å; P37-E41 PolarHBondContact O-N 2.93Å |
| 38 | A | 43.7 | Very low | 45.5 | Very low | 67 Ų | 67 | 102.5 Ų | 102.5 | 55% | 0.554 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -57.3 | -29 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | P36 L42 | P36-A38 PolarHBondContact O-N 3.27Å; A38-L42 WeakPolarHBondContact O-CG 3.37Å; A38-L42 PolarHBondContact O-N 3.17Å; A38-L42 VanDerWaalsContact O-N 3.16Å |
| 39 | V | 47.2 | Very low | 46.3 | Very low | 52 Ų | 52 | 99.1 Ų | 99.1 | 32% | 0.315 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -75.5 | -34.8 | 175.4 | 177.8 | 0 | 0 | 0 | 0 | 111 | L35 P36 P37 L42 L43 | L35-V39 HydrophobicContact CD2-CG1 4.46Å; P36-V39 HydrophobicContact CG-CG2 4.01Å; P36-V39 WeakPolarHBondContact O-CB 3.46Å; P36-V39 PolarHBondContact O-N 3.45Å; P37-V39 PolarHBondContact O-N 3.3Å; V39-L42 PolarHBondContact O-N 3.39Å; V39-L43 HydrophobicContact CG1-CD1 4.37Å; V39-L43 PolarHBondContact O-N 3.39Å |
| 40 | L | 52.3 | Low | 47.3 | Very low | 104 Ų | 104 | 99 Ų | 99 | 55% | 0.545 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -70.7 | -40.8 | 177.3 | -164.5 | 67.9 | 0 | 0 | 0 | 111.2 | P37 L43 Q44 | P37-L40 WeakPolarHBondContact O-CB 3.45Å; P37-L40 PolarHBondContact O-N 3.36Å; L40-L43 WeakPolarHBondContact O-CB 3.41Å; L40-L43 PolarHBondContact O-N 3.37Å; L40-Q44 WeakPolarHBondContact O-CG 3.2Å; L40-Q44 PolarHBondContact O-N 2.9Å |
| 41 | E | 49.6 | Very low | 48.5 | Very low | 107 Ų | 107 | 98.9 Ų | 98.9 | 50% | 0.5 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -58.1 | -46.7 | 170.8 | -70 | -61.6 | 115.5 | 0 | 0 | 111.7 | P37 L43 Q44 I45 | P37-E41 PolarHBondContact O-N 2.93Å; E41-L43 VanDerWaalsContact C-N 3.34Å; E41-L43 PolarHBondContact O-N 3.32Å; E41-Q44 PolarHBondContact O-N 3.12Å; E41-I45 WeakPolarHBondContact O-CG1 3.41Å; E41-I45 PolarHBondContact O-N 3.44Å |
| 42 | L | 48.7 | Very low | 49.2 | Very low | 97 Ų | 97 | 97.6 Ų | 97.6 | 51% | 0.508 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60 | -41.2 | 175.2 | -79.2 | 167.9 | 0 | 0 | 0 | 112.4 | A38 V39 I45 L46 | A38-L42 WeakPolarHBondContact O-CG 3.37Å; A38-L42 PolarHBondContact O-N 3.17Å; A38-L42 VanDerWaalsContact O-N 3.16Å; V39-L42 PolarHBondContact O-N 3.39Å; L42-I45 PolarHBondContact O-N 3.43Å; L42-L46 WeakPolarHBondContact O-CB 3.5Å; L42-L46 WeakPolarHBondContact O-CD1 3.44Å; L42-L46 VanDerWaalsContact O-CG 3.25Å; L42-L46 WeakPolarHBondContact O-CG 3.26Å; L42-L46 PolarHBondContact O-N 3.08Å |
| 43 | L | 50.1 | Low | 50 | Low | 94 Ų | 94 | 102.9 Ų | 102.9 | 49% | 0.492 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 174.2 | -107.5 | 71.1 | 0 | 0 | 0 | 112.2 | V39 L40 E41 L46 C47 | V39-L43 HydrophobicContact CG1-CD1 4.37Å; V39-L43 PolarHBondContact O-N 3.39Å; L40-L43 WeakPolarHBondContact O-CB 3.41Å; L40-L43 PolarHBondContact O-N 3.37Å; E41-L43 VanDerWaalsContact C-N 3.34Å; E41-L43 PolarHBondContact O-N 3.32Å; L43-L46 PolarHBondContact O-N 3.4Å; L43-C47 PolarHBondContact O-N 3.46Å; L43-C47 PolarHBondContact O-SG 3.44Å |
| 44 | Q | 52.1 | Low | 50.4 | Low | 78 Ų | 78 | 97.1 Ų | 97.1 | 36% | 0.364 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 177.3 | -70.2 | -174.6 | 52.1 | 0 | 0 | 111.7 | L40 E41 L46 C47 I48 | L40-Q44 WeakPolarHBondContact O-CG 3.2Å; L40-Q44 PolarHBondContact O-N 2.9Å; E41-Q44 PolarHBondContact O-N 3.12Å; Q44-L46 PolarHBondContact O-N 3.29Å; Q44-C47 PolarHBondContact O-N 2.89Å; Q44-I48 WeakPolarHBondContact O-CG1 3.49Å; Q44-I48 PolarHBondContact O-N 2.93Å |
| 45 | I | 52.2 | Low | 50.9 | Low | 65 Ų | 65 | 91.9 Ų | 91.9 | 33% | 0.333 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.8 | -46 | 176.2 | -66.7 | 163.7 | 0 | 0 | 0 | 110.9 | E41 L42 C47 I48 V49 | E41-I45 WeakPolarHBondContact O-CG1 3.41Å; E41-I45 PolarHBondContact O-N 3.44Å; L42-I45 PolarHBondContact O-N 3.43Å; I45-C47 VanDerWaalsContact C-N 3.3Å; I45-C47 PolarHBondContact O-N 3.08Å; I45-I48 PolarHBondContact O-N 2.71Å; I45-I48 VanDerWaalsContact O-N 3.11Å; I45-V49 WeakPolarHBondContact O-CG2 3.07Å; I45-V49 PolarHBondContact O-N 2.9Å |
| 46 | L | 51.1 | Low | 51 | Low | 61 Ų | 61 | 90.1 Ų | 90.1 | 32% | 0.319 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.2 | -37.7 | 176.4 | -72.6 | 165.7 | 0 | 0 | 0 | 112.5 | L42 L43 Q44 R50 C279 | L42-L46 WeakPolarHBondContact O-CB 3.5Å; L42-L46 WeakPolarHBondContact O-CD1 3.44Å; L42-L46 VanDerWaalsContact O-CG 3.25Å; L42-L46 WeakPolarHBondContact O-CG 3.26Å; L42-L46 PolarHBondContact O-N 3.08Å; L43-L46 PolarHBondContact O-N 3.4Å; Q44-L46 PolarHBondContact O-N 3.29Å; L46-R50 PolarHBondContact O-N 3.18Å; L46-C279 HydrophobicContact CD2-CB 3.99Å; L46-C279 WeakPolarHBondContact CD2-O 3.42Å |
| 47 | C | 51.9 | Low | 51.2 | Low | 77 Ų | 77 | 92.1 Ų | 92.1 | 52% | 0.52 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.1 | -31.1 | 174.5 | -77 | 0 | 0 | 0 | 0 | 113.5 | L43 Q44 I45 R50 | L43-C47 PolarHBondContact O-N 3.46Å; L43-C47 PolarHBondContact O-SG 3.44Å; Q44-C47 PolarHBondContact O-N 2.89Å; I45-C47 VanDerWaalsContact C-N 3.3Å; I45-C47 PolarHBondContact O-N 3.08Å; C47-R50 WeakPolarHBondContact O-CB 3.29Å |
| 48 | I | 51 | Low | 51.1 | Low | 105 Ų | 105 | 89.4 Ų | 89.4 | 54% | 0.538 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -73.7 | -42 | 175.7 | -67.7 | 163.6 | 0 | 0 | 0 | 111 | Q44 I45 R50 N51 | Q44-I48 WeakPolarHBondContact O-CG1 3.49Å; Q44-I48 PolarHBondContact O-N 2.93Å; I45-I48 PolarHBondContact O-N 2.71Å; I45-I48 VanDerWaalsContact O-N 3.11Å; I48-R50 PolarHBondContact O-N 3.48Å; I48-N51 PolarHBondContact O-N 3.36Å |
| 49 | V | 48.2 | Very low | 51.6 | Low | 38 Ų | 38 | 89.6 Ų | 89.6 | 23% | 0.23 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -63.5 | -21 | 176.1 | 176.7 | 0 | 0 | 0 | 0 | 112.3 | I45 N51 P280 I328 A332 | I45-V49 WeakPolarHBondContact O-CG2 3.07Å; I45-V49 PolarHBondContact O-N 2.9Å; V49-N51 PolarHBondContact O-N 3.16Å; V49-N51 VanDerWaalsContact O-N 3.17Å; V49-P280 HydrophobicContact CB-CG 4.48Å; V49-P280 HydrophobicContact CG1-CG 4.1Å; V49-I328 HydrophobicContact CG1-CG2 4.3Å; V49-A332 HydrophobicContact CG2-CB 3.42Å; V49-A332 VanDerWaalsContact CG2-CB 3.42Å |
| 50 | R | 54.5 | Low | 51.7 | Low | 157 Ų | 157 | 92.7 Ų | 92.7 | 59% | 0.592 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -2.8 | 176.6 | -174.9 | 168.3 | 150.6 | 172.9 | -8.6 | 114.3 | L46 C47 I48 Q52 P280 L281 | L46-R50 PolarHBondContact O-N 3.18Å; C47-R50 WeakPolarHBondContact O-CB 3.29Å; I48-R50 PolarHBondContact O-N 3.48Å; R50-Q52 PolarHBondContact O-N 3.42Å; R50-P280 VanDerWaalsContact CA-CG 3.43Å; R50-P280 HydrophobicContact CB-CB 3.62Å; R50-P280 HydrophobicContact CB-CG 3.77Å; R50-P280 HydrophobicContact CG-CB 3.8Å; R50-P280 HydrophobicContact CG-CG 4.37Å; R50-L281 HydrophobicContact CG-CD2 4.29Å |
| 51 | N | 58.8 | Low | 51.6 | Low | 115 Ų | 115 | 93 Ų | 93 | 62% | 0.615 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -68 | 116.5 | 175.3 | -166.5 | -12.8 | 0 | 0 | 0 | 111.8 | I48 V49 R53 G54 | I48-N51 PolarHBondContact O-N 3.36Å; V49-N51 PolarHBondContact O-N 3.16Å; V49-N51 VanDerWaalsContact O-N 3.17Å; N51-R53 PolarHBondContact O-N 2.74Å; N51-G54 PolarHBondContact O-N 2.96Å |
| 52 | Q | 49.4 | Very low | 51.8 | Low | 116 Ų | 116 | 90.7 Ų | 90.7 | 54% | 0.542 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | -26.8 | -160.3 | -160.7 | 70.6 | 9.2 | 0 | 0 | 116.8 | R50 | R50-Q52 PolarHBondContact O-N 3.42Š|
| 53 | R | 54.1 | Low | 51.8 | Low | 220 Ų | 220 | 90.7 Ų | 90.7 | 83% | 0.83 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -23.5 | -169.7 | -51.3 | -173.8 | -161.9 | -140.4 | 2.7 | 114.4 | N51 | N51-R53 PolarHBondContact O-N 2.74Š|
| 54 | G | 50.9 | Low | 51.7 | Low | 47 Ų | 47 | 89.7 Ų | 89.7 | 49% | 0.485 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -28.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | N51 E56 L58 | N51-G54 PolarHBondContact O-N 2.96Å; G54-E56 PolarHBondContact O-N 2.72Å; G54-L58 PolarHBondContact O-N 3.03Å |
| 55 | A | 52.2 | Low | 51.5 | Low | 14 Ų | 14 | 89.9 Ų | 89.9 | 12% | 0.116 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -65 | -36.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L58 R59 | A55-L58 PolarHBondContact O-N 3.31Å; A55-R59 WeakPolarHBondContact O-CB 3.4Å; A55-R59 WeakPolarHBondContact O-CD 3.48Å; A55-R59 WeakPolarHBondContact O-CG 3.33Å; A55-R59 PolarHBondContact O-N 3.17Å |
| 56 | E | 52.7 | Low | 51.3 | Low | 96 Ų | 96 | 89.8 Ų | 89.8 | 45% | 0.449 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -71 | -41.7 | -174.8 | -68 | -54.9 | 115.7 | 0 | 0 | 113.4 | G54 L58 R59 L60 | G54-E56 PolarHBondContact O-N 2.72Å; E56-L58 VanDerWaalsContact C-N 3.32Å; E56-L58 PolarHBondContact O-N 2.87Å; E56-R59 PolarHBondContact O-N 3Å; E56-R59 VanDerWaalsContact OE1-CD 3.28Å; E56-R59 WeakPolarHBondContact OE1-CD 3.2Å; E56-R59 IonicContact OE1-CZ 3.52Å; E56-R59 IonicContact OE1-NE 3.73Å; E56-R59 IonicContact OE1-NH1 2.66Å; E56-R59 PolarHBondContact OE1-NH1 3.36Å; E56-L60 WeakPolarHBondContact O-CG 3.47Å; E56-L60 PolarHBondContact O-N 3.26Å; E56-L60 VanDerWaalsContact O-N 3.11Å |
| 57 | I | 53.1 | Low | 51.2 | Low | 119 Ų | 119 | 89.3 Ų | 89.3 | 61% | 0.61 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63.9 | -43.4 | 175.8 | -60.4 | 174.7 | 0 | 0 | 0 | 109.8 | L60 L61 | I57-L60 PolarHBondContact O-N 3.2Å; I57-L61 HydrophobicContact CG2-CD1 4.26Å; I57-L61 WeakPolarHBondContact O-CG 3.44Å; I57-L61 PolarHBondContact O-N 3.1Å; I57-L61 VanDerWaalsContact O-N 3.1Å |
| 58 | L | 49.9 | Very low | 50.9 | Low | 48 Ų | 48 | 89.7 Ų | 89.7 | 25% | 0.251 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.8 | -42 | 176.7 | 175.8 | 62 | 0 | 0 | 0 | 112.3 | G54 A55 E56 L60 L61 L62 I328 | G54-L58 PolarHBondContact O-N 3.03Å; A55-L58 PolarHBondContact O-N 3.31Å; E56-L58 VanDerWaalsContact C-N 3.32Å; E56-L58 PolarHBondContact O-N 2.87Å; L58-L60 VanDerWaalsContact C-N 3.34Å; L58-L60 PolarHBondContact O-N 3.15Å; L58-L61 PolarHBondContact O-N 3.22Å; L58-L62 HydrophobicContact CD1-CD1 3.9Å; L58-L62 HydrophobicContact CD1-CG 4.09Å; L58-L62 HydrophobicContact CG-CD1 3.95Å; L58-L62 WeakPolarHBondContact O-CB 3.35Å; L58-L62 WeakPolarHBondContact O-CG 3.36Å; L58-L62 PolarHBondContact O-N 3.08Å; L58-I328 HydrophobicContact CD1-CD1 4.34Å; L58-I328 HydrophobicContact CD1-CG1 3.75Å; L58-I328 HydrophobicContact CD2-CD1 3.92Å; L58-I328 HydrophobicContact CD2-CG1 3.7Å; L58-I328 HydrophobicContact CD2-CG2 4.21Å; L58-I328 HydrophobicContact CG-CG1 4.29Å |
| 59 | R | 53.1 | Low | 50.5 | Low | 71 Ų | 71 | 89.2 Ų | 89.2 | 27% | 0.268 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.6 | -42.8 | 174.8 | -78.7 | 163.4 | 176.4 | -171.3 | -4.3 | 112 | A55 E56 F63 | A55-R59 WeakPolarHBondContact O-CB 3.4Å; A55-R59 WeakPolarHBondContact O-CD 3.48Å; A55-R59 WeakPolarHBondContact O-CG 3.33Å; A55-R59 PolarHBondContact O-N 3.17Å; E56-R59 PolarHBondContact O-N 3Å; E56-R59 VanDerWaalsContact OE1-CD 3.28Å; E56-R59 WeakPolarHBondContact OE1-CD 3.2Å; E56-R59 IonicContact OE1-CZ 3.52Å; E56-R59 IonicContact OE1-NE 3.73Å; E56-R59 IonicContact OE1-NH1 2.66Å; E56-R59 PolarHBondContact OE1-NH1 3.36Å; R59-F63 WeakPolarHBondContact O-CB 3.13Å; R59-F63 PolarHBondContact O-N 3.28Å |
| 60 | L | 49.6 | Very low | 50.1 | Low | 117 Ų | 117 | 89.1 Ų | 89.1 | 61% | 0.613 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -66.1 | -42.4 | 177.2 | -68.9 | 172.4 | 0 | 0 | 0 | 112.6 | E56 I57 L58 F63 S64 | E56-L60 WeakPolarHBondContact O-CG 3.47Å; E56-L60 PolarHBondContact O-N 3.26Å; E56-L60 VanDerWaalsContact O-N 3.11Å; I57-L60 PolarHBondContact O-N 3.2Å; L58-L60 VanDerWaalsContact C-N 3.34Å; L58-L60 PolarHBondContact O-N 3.15Å; L60-F63 PolarHBondContact O-N 3.16Å; L60-S64 VanDerWaalsContact O-CB 3.29Å; L60-S64 WeakPolarHBondContact O-CB 3.42Å; L60-S64 PolarHBondContact O-N 3.17Å |
| 61 | L | 50.5 | Low | 49.4 | Very low | 110 Ų | 110 | 91.2 Ų | 91.2 | 58% | 0.576 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -66.4 | -39.3 | 178 | -69.2 | 172.7 | 0 | 0 | 0 | 112.5 | I57 L58 T65 | I57-L61 HydrophobicContact CG2-CD1 4.26Å; I57-L61 WeakPolarHBondContact O-CG 3.44Å; I57-L61 PolarHBondContact O-N 3.1Å; I57-L61 VanDerWaalsContact O-N 3.1Å; L58-L61 PolarHBondContact O-N 3.22Å; L61-T65 WeakPolarHBondContact O-CG2 3.46Å; L61-T65 PolarHBondContact O-N 2.99Å; L61-T65 PolarHBondContact O-OG1 2.9Å |
| 62 | L | 53.4 | Low | 48.4 | Very low | 59 Ų | 59 | 90.8 Ų | 90.8 | 31% | 0.309 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -68.7 | -40.3 | 175 | -69.4 | 170.9 | 0 | 0 | 0 | 111.9 | L58 T65 F66 I328 | L58-L62 HydrophobicContact CD1-CD1 3.9Å; L58-L62 HydrophobicContact CD1-CG 4.09Å; L58-L62 HydrophobicContact CG-CD1 3.95Å; L58-L62 WeakPolarHBondContact O-CB 3.35Å; L58-L62 WeakPolarHBondContact O-CG 3.36Å; L58-L62 PolarHBondContact O-N 3.08Å; L62-T65 WeakPolarHBondContact CA-OG1 3.46Å; L62-T65 PolarHBondContact O-OG1 3.21Å; L62-F66 WeakPolarHBondContact O-CB 3.47Å; L62-F66 PolarHBondContact O-N 3.41Å; L62-I328 HydrophobicContact CD1-CD1 4.41Å |
| 63 | F | 48.7 | Very low | 48 | Very low | 97 Ų | 97 | 90 Ų | 90 | 43% | 0.425 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.2 | -40.1 | 175.6 | -167.1 | -93.3 | 0 | 0 | 0 | 112.1 | R59 L60 T67 L118 L119 | R59-F63 WeakPolarHBondContact O-CB 3.13Å; R59-F63 PolarHBondContact O-N 3.28Å; L60-F63 PolarHBondContact O-N 3.16Å; F63-T67 HydrophobicContact CD1-CG2 4.16Å; F63-T67 HydrophobicContact CE1-CG2 3.88Å; F63-T67 HydrophobicContact CZ-CG2 4.18Å; F63-T67 WeakPolarHBondContact O-CB 3.38Å; F63-T67 WeakPolarHBondContact O-CG2 3.46Å; F63-T67 PolarHBondContact O-N 3.34Å; F63-T67 PolarHBondContact O-OG1 3.07Å; F63-L118 HydrophobicContact CE2-CD2 3.86Å; F63-L118 HydrophobicContact CE2-CG 4.31Å; F63-L119 HydrophobicContact CZ-CD1 4.45Å |
| 64 | S | 48.3 | Very low | 47.3 | Very low | 73 Ų | 73 | 84.2 Ų | 84.2 | 51% | 0.51 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.7 | -46.7 | 176.3 | -173.9 | 0 | 0 | 0 | 0 | 112.2 | L60 T67 S68 | L60-S64 VanDerWaalsContact O-CB 3.29Å; L60-S64 WeakPolarHBondContact O-CB 3.42Å; L60-S64 PolarHBondContact O-N 3.17Å; S64-T67 PolarHBondContact O-OG1 2.82Å; S64-S68 VanDerWaalsContact O-CB 3.26Å; S64-S68 WeakPolarHBondContact O-CB 3.35Å; S64-S68 PolarHBondContact O-N 3.4Å |
| 65 | T | 47.5 | Very low | 46.6 | Very low | 82 Ų | 82 | 85.3 Ų | 85.3 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.7 | -41.1 | 177.1 | 48.6 | 0 | 0 | 0 | 0 | 112.3 | L61 L62 S68 V69 | L61-T65 WeakPolarHBondContact O-CG2 3.46Å; L61-T65 PolarHBondContact O-N 2.99Å; L61-T65 PolarHBondContact O-OG1 2.9Å; L62-T65 WeakPolarHBondContact CA-OG1 3.46Å; L62-T65 PolarHBondContact O-OG1 3.21Å; T65-S68 PolarHBondContact O-N 2.91Å; T65-V69 WeakPolarHBondContact O-CB 3.48Å; T65-V69 WeakPolarHBondContact O-CG2 3.42Å; T65-V69 PolarHBondContact O-N 3.42Å |
| 66 | F | 48.9 | Very low | 46 | Very low | 63 Ų | 63 | 91.3 Ų | 91.3 | 28% | 0.276 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.6 | -44 | 175.8 | -174.2 | -96.2 | 0 | 0 | 0 | 112.6 | L62 V69 S70 L317 | L62-F66 WeakPolarHBondContact O-CB 3.47Å; L62-F66 PolarHBondContact O-N 3.41Å; F66-V69 PolarHBondContact O-N 2.96Å; F66-S70 WeakPolarHBondContact O-CB 3.48Å; F66-S70 PolarHBondContact O-N 2.92Å; F66-S70 PolarHBondContact O-OG 3.43Å; F66-L317 HydrophobicContact CE2-CD2 3.98Å |
| 67 | T | 47.9 | Very low | 45.1 | Very low | 52 Ų | 52 | 94.6 Ų | 94.6 | 32% | 0.319 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -71.6 | -31.9 | 176.7 | 51.5 | 0 | 0 | 0 | 0 | 113 | F63 S64 R71 | F63-T67 HydrophobicContact CD1-CG2 4.16Å; F63-T67 HydrophobicContact CE1-CG2 3.88Å; F63-T67 HydrophobicContact CZ-CG2 4.18Å; F63-T67 WeakPolarHBondContact O-CB 3.38Å; F63-T67 WeakPolarHBondContact O-CG2 3.46Å; F63-T67 PolarHBondContact O-N 3.34Å; F63-T67 PolarHBondContact O-OG1 3.07Å; S64-T67 PolarHBondContact O-OG1 2.82Å; T67-R71 PolarHBondContact O-N 2.93Å |
| 68 | S | 46.1 | Very low | 44.3 | Very low | 84 Ų | 84 | 94.7 Ų | 94.7 | 59% | 0.587 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -68.5 | -38.8 | 172.8 | -168.7 | 0 | 0 | 0 | 0 | 112.5 | S64 T65 | S64-S68 VanDerWaalsContact O-CB 3.26Å; S64-S68 WeakPolarHBondContact O-CB 3.35Å; S64-S68 PolarHBondContact O-N 3.4Å; T65-S68 PolarHBondContact O-N 2.91Å |
| 69 | V | 43.2 | Very low | 43.8 | Very low | 96 Ų | 96 | 98.3 Ų | 98.3 | 58% | 0.582 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -76.9 | -32.4 | 177.3 | 170.5 | 0 | 0 | 0 | 0 | 112.2 | T65 F66 R71 | T65-V69 WeakPolarHBondContact O-CB 3.48Å; T65-V69 WeakPolarHBondContact O-CG2 3.42Å; T65-V69 PolarHBondContact O-N 3.42Å; F66-V69 PolarHBondContact O-N 2.96Å; V69-R71 VanDerWaalsContact C-N 3.34Å |
| 70 | S | 40.2 | Very low | 42.9 | Very low | 35 Ų | 35 | 98.2 Ų | 98.2 | 25% | 0.245 | 60% | 0.601 | C | S | . | * | H | α-helix | trans | -82.3 | -7.5 | -179.7 | -54.8 | 0 | 0 | 0 | 0 | 114.1 | F66 P72 | F66-S70 WeakPolarHBondContact O-CB 3.48Å; F66-S70 PolarHBondContact O-N 2.92Å; F66-S70 PolarHBondContact O-OG 3.43Å; S70-P72 VanDerWaalsContact O-CD 3.32Å; S70-P72 WeakPolarHBondContact O-CD 3.41Å |
| 71 | R | 39.9 | Very low | 42.2 | Very low | 201 Ų | 201 | 98.9 Ų | 98.9 | 76% | 0.758 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -68 | 118.1 | 168.1 | -91.5 | -179.1 | 171.6 | 161.1 | -0.8 | 108.9 | T67 V69 A73 | T67-R71 PolarHBondContact O-N 2.93Å; V69-R71 VanDerWaalsContact C-N 3.34Å; R71-A73 PolarHBondContact O-N 2.96Å |
| 72 | P | 36.5 | Very low | 41.4 | Very low | 106 Ų | 106 | 99.6 Ų | 99.6 | 69% | 0.688 | 62% | 0.62 | S | S | * | * | trans | -59.9 | 137.8 | 164.5 | 28.1 | -33.2 | 0 | 0 | 0 | 107.8 | S70 A74 | S70-P72 VanDerWaalsContact O-CD 3.32Å; S70-P72 WeakPolarHBondContact O-CD 3.41Å; P72-A74 PolarHBondContact O-N 3.33Å | ||
| 73 | A | 41.3 | Very low | 40.5 | Very low | 100 Ų | 100 | 108.2 Ų | 108.2 | 83% | 0.826 | 65% | 0.648 | S | S | * | * | trans | -61.4 | 106.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108 | R71 G75 | R71-A73 PolarHBondContact O-N 2.96Å; A73-G75 PolarHBondContact O-N 3.44Å | ||
| 74 | A | 39.1 | Very low | 39.8 | Very low | 98 Ų | 98 | 108.9 Ų | 108.9 | 81% | 0.81 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 122.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | P72 | P72-A74 PolarHBondContact O-N 3.33Š|
| 75 | G | 36.7 | Very low | 39.1 | Very low | 70 Ų | 70 | 114.4 Ų | 114.4 | 72% | 0.722 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 143.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A73 E77 | A73-G75 PolarHBondContact O-N 3.44Å; G75-E77 PolarHBondContact O-N 3.37Å |
| 76 | T | 38.7 | Very low | 39.1 | Very low | 140 Ų | 140 | 114.9 Ų | 114.9 | 86% | 0.859 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 123.3 | 167.7 | 42.1 | 0 | 0 | 0 | 0 | 109.8 | ||
| 77 | E | 34.9 | Very low | 38.3 | Very low | 165 Ų | 165 | 119.2 Ų | 119.2 | 77% | 0.771 | 71% | 0.708 | S | S | * | * | trans | -42.7 | 125.2 | 167.8 | -75.4 | -85.2 | 89.5 | 0 | 0 | 110.6 | G75 V79 | G75-E77 PolarHBondContact O-N 3.37Å; E77-V79 VanDerWaalsContact C-N 3.29Å; E77-V79 PolarHBondContact O-N 2.88Å | ||
| 78 | P | 36.9 | Very low | 37.7 | Very low | 121 Ų | 121 | 124.9 Ų | 124.9 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | trans | -72 | 89.6 | 167.8 | 30.1 | -31.8 | 0 | 0 | 0 | 108.3 | G80 | P78-G80 PolarHBondContact O-N 3.1Š| ||
| 79 | V | 38.6 | Very low | 37.9 | Very low | 124 Ų | 124 | 126.1 Ų | 126.1 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | trans | -51.2 | 108.6 | 179.9 | 172.7 | 0 | 0 | 0 | 0 | 110 | E77 T81 | E77-V79 VanDerWaalsContact C-N 3.29Å; E77-V79 PolarHBondContact O-N 2.88Å; V79-T81 PolarHBondContact O-N 3.28Å | ||
| 80 | G | 34.8 | Very low | 37.7 | Very low | 69 Ų | 69 | 128.7 Ų | 128.7 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | trans | -63.7 | 105.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | P78 T82 | P78-G80 PolarHBondContact O-N 3.1Å; G80-T82 PolarHBondContact O-N 3.43Å | ||
| 81 | T | 33.6 | Very low | 38.2 | Very low | 132 Ų | 132 | 132.2 Ų | 132.2 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | -87.7 | 98.3 | 173 | -57.9 | 0 | 0 | 0 | 0 | 109.3 | V79 R83 | V79-T81 PolarHBondContact O-N 3.28Å; T81-R83 PolarHBondContact O-N 3.38Å | ||
| 82 | T | 34.7 | Very low | 38.1 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | trans | -54.6 | 126.1 | 177.4 | -49.3 | 0 | 0 | 0 | 0 | 111.7 | G80 | G80-T82 PolarHBondContact O-N 3.43Š| ||
| 83 | R | 33.4 | Very low | 37.8 | Very low | 241 Ų | 241 | 132.7 Ų | 132.7 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | -139.1 | 106.9 | 159.9 | -154.2 | 175.4 | -164.7 | 115.1 | 3.6 | 112.1 | T81 | T81-R83 PolarHBondContact O-N 3.38Š| ||
| 84 | T | 33.6 | Very low | 38.2 | Very low | 111 Ų | 111 | 132.9 Ų | 132.9 | 68% | 0.681 | 78% | 0.778 | S | S | * | * | trans | -65.8 | 137.9 | -179.8 | -38.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 85 | H | 34 | Very low | 38.1 | Very low | 189 Ų | 189 | 135.8 Ų | 135.8 | 88% | 0.875 | 78% | 0.779 | S | S | * | * | trans | -157.8 | 135.6 | 144.5 | -119.2 | -85.1 | 0 | 0 | 0 | 110.4 | ||||
| 86 | P | 48.4 | Very low | 38.3 | Very low | 91 Ų | 91 | 141.6 Ų | 141.6 | 59% | 0.591 | 79% | 0.787 | S | S | * | * | trans | -110.4 | 166.2 | -169.9 | 40.3 | -35.5 | 0 | 0 | 0 | 116 | ||||
| 87 | N | 32.9 | Very low | 38.1 | Very low | 154 Ų | 154 | 144.1 Ų | 144.1 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | 73.2 | 114 | 165.5 | -54.4 | -62.9 | 0 | 0 | 0 | 119.4 | ||||
| 88 | L | 34.1 | Very low | 38.3 | Very low | 171 Ų | 171 | 143.3 Ų | 143.3 | 90% | 0.895 | 78% | 0.777 | S | S | * | * | -170.2 | 146.9 | 111.8 | -157.7 | 60.9 | 0 | 0 | 0 | 109.4 | |||||
| 89 | P | 49.5 | Very low | 38.2 | Very low | 111 Ų | 111 | 143.9 Ų | 143.9 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | trans | -95.6 | 171.3 | -173.6 | 36.7 | -36.5 | 0 | 0 | 0 | 116.5 | ||||
| 90 | D | 39.6 | Very low | 38.3 | Very low | 150 Ų | 150 | 144 Ų | 144 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | trans | -38.3 | 166.2 | 165.6 | -71.2 | -76.3 | 0 | 0 | 0 | 117.1 | ||||
| 91 | P | 51 | Low | 38.2 | Very low | 108 Ų | 108 | 146 Ų | 146 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | cis | -147.4 | 170.8 | 29 | 36.2 | -13.5 | 0 | 0 | 0 | 119.5 | ||||
| 92 | L | 37 | Very low | 38.4 | Very low | 169 Ų | 169 | 147.4 Ų | 147.4 | 89% | 0.885 | 76% | 0.764 | S | S | * | * | 163.9 | 142.5 | 118.4 | -86.9 | 168.7 | 0 | 0 | 0 | 115.5 | |||||
| 93 | D | 31.5 | Very low | 38.8 | Very low | 148 Ų | 148 | 147.1 Ų | 147.1 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | -79.3 | -174.9 | 168.5 | -115.1 | -41.5 | 0 | 0 | 0 | 112.2 | ||||
| 94 | P | 49.8 | Very low | 38.7 | Very low | 104 Ų | 104 | 140 Ų | 140 | 68% | 0.675 | 76% | 0.756 | S | S | * | * | cis | -134.3 | 166.3 | -28.3 | 37.1 | -22.7 | 0 | 0 | 0 | 113.3 | ||||
| 95 | L | 35.4 | Very low | 38.7 | Very low | 160 Ų | 160 | 139.7 Ų | 139.7 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | trans | -168 | 125.3 | 136.9 | -117.3 | -178 | 0 | 0 | 0 | 114.8 | R97 | L95-R97 HydrophobicContact CD2-CB 4.43Š| ||
| 96 | Q | 42.5 | Very low | 38.5 | Very low | 192 Ų | 192 | 134 Ų | 134 | 90% | 0.897 | 76% | 0.758 | S | S | * | * | trans | -112.3 | 96.2 | 172.9 | -178.6 | 169.5 | -64.1 | 0 | 0 | 110.8 | ||||
| 97 | R | 34.2 | Very low | 37.8 | Very low | 193 Ų | 193 | 135.9 Ų | 135.9 | 73% | 0.728 | 77% | 0.771 | S | S | * | * | trans | -155.9 | 119.6 | 176.9 | -102.7 | -68.5 | -174.7 | 155.6 | 3.2 | 113.3 | L95 | L95-R97 HydrophobicContact CD2-CB 4.43Š| ||
| 98 | H | 38.3 | Very low | 37.9 | Very low | 147 Ų | 147 | 131.3 Ų | 131.3 | 68% | 0.681 | 76% | 0.761 | S | S | * | * | trans | 62.5 | 152.8 | 172.6 | -67.5 | -77.7 | 0 | 0 | 0 | 116 | ||||
| 99 | N | 34.3 | Very low | 38.2 | Very low | 134 Ų | 134 | 129.2 Ų | 129.2 | 72% | 0.717 | 76% | 0.755 | S | S | * | * | cis | -144.3 | 168.3 | 1.2 | -143.2 | 23.8 | 0 | 0 | 0 | 112.4 | ||||
| 100 | E | 40.9 | Very low | 37.7 | Very low | 125 Ų | 125 | 129 Ų | 129 | 58% | 0.584 | 75% | 0.747 | S | S | * | * | trans | -2 | 126.7 | 156.2 | -135.4 | -60.6 | 97.3 | 0 | 0 | 119.1 | H102 | E100-H102 PolarHBondContact OE1-N 3.2Å; E100-H102 PolarHBondContact OE2-N 3.44Å | ||
| 101 | P | 34.1 | Very low | 37.8 | Very low | 113 Ų | 113 | 126.3 Ų | 126.3 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | trans | -128.6 | 74.8 | 163.6 | 40.7 | -26.1 | 0 | 0 | 0 | 115.2 | ||||
| 102 | H | 37.8 | Very low | 37.3 | Very low | 161 Ų | 161 | 127.3 Ų | 127.3 | 75% | 0.745 | 73% | 0.729 | S | S | * | * | trans | -88.1 | 135 | 131.2 | -89.6 | -40.1 | 0 | 0 | 0 | 108.7 | E100 | E100-H102 PolarHBondContact OE1-N 3.2Å; E100-H102 PolarHBondContact OE2-N 3.44Å | ||
| 103 | P | 42.3 | Very low | 37.6 | Very low | 117 Ų | 117 | 124.3 Ų | 124.3 | 76% | 0.76 | 71% | 0.714 | S | S | * | * | -144 | -158 | 63.5 | 41.9 | -23.8 | 0 | 0 | 0 | 114.3 | |||||
| 104 | A | 30.8 | Very low | 38.1 | Very low | 92 Ų | 92 | 122.7 Ų | 122.7 | 76% | 0.76 | 70% | 0.701 | S | S | * | * | trans | 70.6 | 77.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | G106 | A104-G106 VanDerWaalsContact C-N 3.25Å; A104-G106 PolarHBondContact O-N 3.23Å | ||
| 105 | A | 33.6 | Very low | 37.7 | Very low | 105 Ų | 105 | 120.2 Ų | 120.2 | 87% | 0.868 | 69% | 0.685 | S | S | * | * | trans | -62.6 | 90.2 | 148.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | C107 | A105-C107 PolarHBondContact O-N 3.34Š| ||
| 106 | G | 30.6 | Very low | 38.1 | Very low | 70 Ų | 70 | 117.5 Ų | 117.5 | 72% | 0.722 | 67% | 0.671 | S | S | * | * | trans | -73.1 | 116.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A104 G108 | A104-G106 VanDerWaalsContact C-N 3.25Å; A104-G106 PolarHBondContact O-N 3.23Å; G106-G108 PolarHBondContact O-N 3.23Å | ||
| 107 | C | 33.2 | Very low | 38.3 | Very low | 129 Ų | 129 | 113.5 Ų | 113.5 | 87% | 0.872 | 65% | 0.652 | S | S | * | * | trans | -70.9 | 62.8 | 169 | -74.6 | 0 | 0 | 0 | 0 | 111.8 | A105 V109 | A105-C107 PolarHBondContact O-N 3.34Å; C107-V109 PolarHBondContact O-N 3.11Å | ||
| 108 | G | 36.1 | Very low | 38.6 | Very low | 58 Ų | 58 | 108.1 Ų | 108.1 | 60% | 0.598 | 64% | 0.637 | S | S | * | * | trans | -76.1 | 70.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | G106 N110 | G106-G108 PolarHBondContact O-N 3.23Å; G108-N110 PolarHBondContact O-N 3.2Å; G108-N110 PolarHBondContact O-ND2 3.42Å | ||
| 109 | V | 39.2 | Very low | 38.8 | Very low | 127 Ų | 127 | 105.9 Ų | 105.9 | 77% | 0.77 | 63% | 0.63 | S | S | * | * | trans | -60.4 | 111.2 | 170.7 | -177 | 0 | 0 | 0 | 0 | 107.7 | C107 Q111 | C107-V109 PolarHBondContact O-N 3.11Å; V109-Q111 PolarHBondContact O-N 3.33Å | ||
| 110 | N | 40.6 | Very low | 39.1 | Very low | 106 Ų | 106 | 104 Ų | 104 | 57% | 0.567 | 62% | 0.619 | S | S | * | * | trans | -74.3 | 126.3 | -171.7 | -100.9 | -93.4 | 0 | 0 | 0 | 111 | G108 N112 D113 | G108-N110 PolarHBondContact O-N 3.2Å; G108-N110 PolarHBondContact O-ND2 3.42Å; N110-N112 PolarHBondContact O-N 3.28Å; N110-N112 VanDerWaalsContact O-N 3.13Å; N110-D113 HydrophobicContact CB-CB 4.5Å; N110-D113 VanDerWaalsContact O-CB 3.28Å; N110-D113 WeakPolarHBondContact O-CB 3.16Å; N110-D113 PolarHBondContact O-N 3.48Å | ||
| 111 | Q | 41.8 | Very low | 39.1 | Very low | 95 Ų | 95 | 102.4 Ų | 102.4 | 44% | 0.444 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -57.6 | -31.2 | -177 | -172.8 | 60.1 | 60.6 | 0 | 0 | 112.9 | V109 C115 | V109-Q111 PolarHBondContact O-N 3.33Å; Q111-C115 PolarHBondContact O-N 3.48Å |
| 112 | N | 38.7 | Very low | 39.3 | Very low | 128 Ų | 128 | 106.1 Ų | 106.1 | 68% | 0.684 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -67.8 | -35.3 | -179.8 | -60.1 | -10.8 | 0 | 0 | 0 | 112.1 | N110 C115 L116 | N110-N112 PolarHBondContact O-N 3.28Å; N110-N112 VanDerWaalsContact O-N 3.13Å; N112-C115 PolarHBondContact O-N 3.5Å; N112-L116 WeakPolarHBondContact O-CB 3.36Å; N112-L116 PolarHBondContact O-N 2.98Å |
| 113 | D | 44.5 | Very low | 39.2 | Very low | 106 Ų | 106 | 104 Ų | 104 | 57% | 0.567 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.2 | -43.8 | -179.6 | -144 | -72.5 | 0 | 0 | 0 | 110.8 | N110 C115 L116 Q117 | N110-D113 HydrophobicContact CB-CB 4.5Å; N110-D113 VanDerWaalsContact O-CB 3.28Å; N110-D113 WeakPolarHBondContact O-CB 3.16Å; N110-D113 PolarHBondContact O-N 3.48Å; D113-C115 VanDerWaalsContact C-N 3.33Å; D113-C115 PolarHBondContact O-N 2.97Å; D113-L116 PolarHBondContact O-N 3.44Å; D113-L116 VanDerWaalsContact O-N 3.12Å; D113-Q117 PolarHBondContact O-N 3.47Å |
| 114 | F | 41.8 | Very low | 38.9 | Very low | 115 Ų | 115 | 106.5 Ų | 106.5 | 50% | 0.504 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -62.3 | -37.9 | 177 | -163.8 | -94 | 0 | 0 | 0 | 112.6 | L118 | F114-L118 PolarHBondContact O-N 3.27Å |
| 115 | C | 42.3 | Very low | 39.1 | Very low | 51 Ų | 51 | 109.5 Ų | 109.5 | 35% | 0.345 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -73.7 | -34.1 | 173.5 | -70.7 | 0 | 0 | 0 | 0 | 112.7 | Q111 N112 D113 L118 L119 | Q111-C115 PolarHBondContact O-N 3.48Å; N112-C115 PolarHBondContact O-N 3.5Å; D113-C115 VanDerWaalsContact C-N 3.33Å; D113-C115 PolarHBondContact O-N 2.97Å; C115-L118 PolarHBondContact O-N 3.31Å; C115-L119 PolarHBondContact O-N 3.1Å |
| 116 | L | 42.2 | Very low | 39.1 | Very low | 104 Ų | 104 | 110.5 Ų | 110.5 | 55% | 0.545 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67.2 | -44.3 | 178.8 | -155.9 | 77.7 | 0 | 0 | 0 | 111.5 | N112 D113 L118 L119 L120 | N112-L116 WeakPolarHBondContact O-CB 3.36Å; N112-L116 PolarHBondContact O-N 2.98Å; D113-L116 PolarHBondContact O-N 3.44Å; D113-L116 VanDerWaalsContact O-N 3.12Å; L116-L118 VanDerWaalsContact C-N 3.3Å; L116-L118 PolarHBondContact O-N 3.31Å; L116-L119 WeakPolarHBondContact O-CB 3.23Å; L116-L119 PolarHBondContact O-N 3.11Å; L116-L119 VanDerWaalsContact O-N 3.08Å; L116-L120 HydrophobicContact CD2-CD1 4.49Å; L116-L120 HydrophobicContact CG-CD1 4.39Å; L116-L120 WeakPolarHBondContact O-CG 3.27Å; L116-L120 PolarHBondContact O-N 3.23Å |
| 117 | Q | 48.1 | Very low | 39 | Very low | 107 Ų | 107 | 111.9 Ų | 111.9 | 50% | 0.5 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63.2 | -34.7 | 174.7 | -85.8 | -63 | 101 | 0 | 0 | 113 | D113 L119 L120 T121 | D113-Q117 PolarHBondContact O-N 3.47Å; Q117-L119 VanDerWaalsContact C-N 3.27Å; Q117-L119 PolarHBondContact O-N 2.9Å; Q117-L120 PolarHBondContact O-N 3.33Å; Q117-T121 WeakPolarHBondContact O-CB 3.28Å; Q117-T121 PolarHBondContact O-N 3.42Å; Q117-T121 VanDerWaalsContact O-N 3.08Å; Q117-T121 PolarHBondContact O-OG1 3.47Å |
| 118 | L | 40.3 | Very low | 39.1 | Very low | 80 Ų | 80 | 111.9 Ų | 111.9 | 42% | 0.419 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67.9 | -26.6 | 174.5 | -167.1 | 62.4 | 0 | 0 | 0 | 112.6 | F63 F114 C115 L116 | F63-L118 HydrophobicContact CE2-CD2 3.86Å; F63-L118 HydrophobicContact CE2-CG 4.31Å; F114-L118 PolarHBondContact O-N 3.27Å; C115-L118 PolarHBondContact O-N 3.31Å; L116-L118 VanDerWaalsContact C-N 3.3Å; L116-L118 PolarHBondContact O-N 3.31Å |
| 119 | L | 41.6 | Very low | 38.9 | Very low | 100 Ų | 100 | 118 Ų | 118 | 52% | 0.524 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -76.6 | -51.3 | 168.8 | -99.4 | 71.3 | 0 | 0 | 0 | 111.8 | F63 C115 L116 Q117 T121 R122 | F63-L119 HydrophobicContact CZ-CD1 4.45Å; C115-L119 PolarHBondContact O-N 3.1Å; L116-L119 WeakPolarHBondContact O-CB 3.23Å; L116-L119 PolarHBondContact O-N 3.11Å; L116-L119 VanDerWaalsContact O-N 3.08Å; Q117-L119 VanDerWaalsContact C-N 3.27Å; Q117-L119 PolarHBondContact O-N 2.9Å; L119-T121 PolarHBondContact O-N 3.07Å; L119-R122 WeakPolarHBondContact O-CB 3.17Å; L119-R122 PolarHBondContact O-N 3.11Å |
| 120 | L | 39.9 | Very low | 38.4 | Very low | 95 Ų | 95 | 116.3 Ų | 116.3 | 50% | 0.497 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -61.1 | -29.4 | -175.8 | -70.3 | 169.2 | 0 | 0 | 0 | 113.3 | L116 Q117 R122 | L116-L120 HydrophobicContact CD2-CD1 4.49Å; L116-L120 HydrophobicContact CG-CD1 4.39Å; L116-L120 WeakPolarHBondContact O-CG 3.27Å; L116-L120 PolarHBondContact O-N 3.23Å; Q117-L120 PolarHBondContact O-N 3.33Å; L120-R122 PolarHBondContact O-N 2.86Å |
| 121 | T | 40.8 | Very low | 38.2 | Very low | 92 Ų | 92 | 118.2 Ų | 118.2 | 56% | 0.564 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -67.3 | -17.7 | 174.3 | -51 | 0 | 0 | 0 | 0 | 112.8 | Q117 L119 | Q117-T121 WeakPolarHBondContact O-CB 3.28Å; Q117-T121 PolarHBondContact O-N 3.42Å; Q117-T121 VanDerWaalsContact O-N 3.08Å; Q117-T121 PolarHBondContact O-OG1 3.47Å; L119-T121 PolarHBondContact O-N 3.07Å |
| 122 | R | 40.3 | Very low | 37.4 | Very low | 190 Ų | 190 | 119 Ų | 119 | 72% | 0.717 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -78 | -34.7 | -177.8 | -170.2 | -179.3 | 167.6 | 92.7 | 3.1 | 112.9 | L119 L120 | L119-R122 WeakPolarHBondContact O-CB 3.17Å; L119-R122 PolarHBondContact O-N 3.11Å; L120-R122 PolarHBondContact O-N 2.86Å |
| 123 | D | 35.7 | Very low | 37.8 | Very low | 116 Ų | 116 | 118.5 Ų | 118.5 | 62% | 0.62 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -78.2 | -37 | -173.2 | -64.4 | -44.2 | 0 | 0 | 0 | 112.3 | L125 T126 | D123-L125 PolarHBondContact O-N 2.66Å; D123-L125 VanDerWaalsContact O-N 3.08Å; D123-T126 PolarHBondContact O-N 2.98Å |
| 124 | H | 34.7 | Very low | 37.1 | Very low | 171 Ų | 171 | 119.1 Ų | 119.1 | 79% | 0.792 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -5.3 | -175 | -152.1 | -56.2 | 0 | 0 | 0 | 114.6 | ||
| 125 | L | 35.5 | Very low | 36.4 | Very low | 154 Ų | 154 | 117.2 Ų | 117.2 | 81% | 0.806 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -0.8 | 175.3 | -115.2 | 71 | 0 | 0 | 0 | 114.1 | D123 S127 | D123-L125 PolarHBondContact O-N 2.66Å; D123-L125 VanDerWaalsContact O-N 3.08Å; L125-S127 PolarHBondContact O-N 3.25Å |
| 126 | T | 32.5 | Very low | 35.9 | Very low | 126 Ų | 126 | 119.3 Ų | 119.3 | 77% | 0.773 | 70% | 0.704 | S | S | * | * | trans | -99.8 | 54.3 | -176.4 | -42.5 | 0 | 0 | 0 | 0 | 112.7 | D123 | D123-T126 PolarHBondContact O-N 2.98Š| ||
| 127 | S | 29.8 | Very low | 35.7 | Very low | 99 Ų | 99 | 120.3 Ų | 120.3 | 69% | 0.692 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -153.1 | 127.8 | 167.9 | -170.3 | 0 | 0 | 0 | 0 | 112 | L125 M129 | L125-S127 PolarHBondContact O-N 3.25Å; S127-M129 PolarHBondContact O-N 3.25Å |
| 128 | P | 35 | Very low | 35 | Very low | 129 Ų | 129 | 124.1 Ų | 124.1 | 84% | 0.838 | 74% | 0.735 | S | S | * | * | trans | -81.7 | 101.5 | 179.1 | 32.1 | -32.2 | 0 | 0 | 0 | 110.9 | A130 | P128-A130 PolarHBondContact O-N 3.43Š| ||
| 129 | M | 31 | Very low | 34.3 | Very low | 188 Ų | 188 | 127.1 Ų | 127.1 | 93% | 0.926 | 76% | 0.756 | S | S | * | * | trans | -78.9 | 112.3 | 177.6 | -163.7 | 166.4 | -168.8 | 0 | 0 | 111.2 | S127 | S127-M129 PolarHBondContact O-N 3.25Š| ||
| 130 | A | 30.5 | Very low | 33.6 | Very low | 90 Ų | 90 | 127.8 Ų | 127.8 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | trans | -72.8 | 144.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P128 S132 | P128-A130 PolarHBondContact O-N 3.43Å; A130-S132 PolarHBondContact O-N 3.05Å | ||
| 131 | T | 35.9 | Very low | 33.2 | Very low | 146 Ų | 146 | 132.4 Ų | 132.4 | 90% | 0.896 | 79% | 0.79 | S | S | * | * | trans | -73.3 | 124.7 | -179.5 | -44.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 132 | S | 25.3 | Very low | 32.7 | Very low | 113 Ų | 113 | 132.6 Ų | 132.6 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -152.2 | 129.2 | 159 | -166.7 | 0 | 0 | 0 | 0 | 110.4 | A130 | A130-S132 PolarHBondContact O-N 3.05Š| ||
| 133 | P | 46 | Very low | 32.2 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | trans | -97.2 | 142.4 | -178.9 | 36.2 | -32 | 0 | 0 | 0 | 112.5 | ||||
| 134 | S | 29 | Very low | 32.1 | Very low | 120 Ų | 120 | 134.2 Ų | 134.2 | 84% | 0.839 | 82% | 0.821 | S | S | * | * | trans | 168.5 | 135.4 | 132.3 | -174.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 135 | G | 28.5 | Very low | 31.8 | Very low | 75 Ų | 75 | 135.6 Ų | 135.6 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | trans | -128.2 | 118.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 136 | A | 30.7 | Very low | 31.2 | Very low | 94 Ų | 94 | 136.8 Ų | 136.8 | 78% | 0.777 | 83% | 0.829 | S | S | * | * | trans | -93.4 | 160.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 137 | P | 38.6 | Very low | 31.9 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | trans | -116.3 | 170.3 | 145.1 | 35.5 | -28.1 | 0 | 0 | 0 | 112.5 | ||||
| 138 | E | 33.6 | Very low | 31.8 | Very low | 187 Ų | 187 | 139.2 Ų | 139.2 | 87% | 0.874 | 83% | 0.829 | S | S | * | * | trans | -78.1 | 154.4 | -160.5 | -52.7 | 163.9 | 116.3 | 0 | 0 | 115.1 | ||||
| 139 | T | 26.6 | Very low | 31.5 | Very low | 143 Ų | 143 | 141.5 Ų | 141.5 | 88% | 0.877 | 83% | 0.829 | S | S | * | * | -172.5 | 146 | 126.8 | -76.5 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 140 | C | 25.7 | Very low | 32.1 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 77% | 0.77 | 82% | 0.815 | S | S | * | * | trans | -80.3 | 140.9 | -175 | -51.7 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 141 | M | 31.7 | Very low | 31.9 | Very low | 192 Ų | 192 | 139 Ų | 139 | 95% | 0.946 | 82% | 0.817 | S | S | * | * | -175.1 | 171.1 | 123.5 | -99.9 | -57.5 | 179.3 | 0 | 0 | 111.5 | |||||
| 142 | A | 30.6 | Very low | 31.5 | Very low | 97 Ų | 97 | 137 Ų | 137 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | trans | -100.6 | 147.3 | -163.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 143 | A | 29.9 | Very low | 31.8 | Very low | 107 Ų | 107 | 137.2 Ų | 137.2 | 88% | 0.884 | 81% | 0.81 | S | S | * | * | trans | -156.2 | 158 | 144.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 144 | R | 32.5 | Very low | 31.2 | Very low | 233 Ų | 233 | 139.4 Ų | 139.4 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | trans | -132.1 | 130.3 | -179.5 | -103 | -83.2 | 174.6 | 95.6 | -2.3 | 109.2 | ||||
| 145 | Q | 28 | Very low | 32.1 | Very low | 200 Ų | 200 | 138.9 Ų | 138.9 | 94% | 0.935 | 80% | 0.804 | S | S | * | * | trans | -175.2 | 166.4 | 141.1 | -102.9 | 150.6 | 8.8 | 0 | 0 | 113.7 | ||||
| 146 | Q | 24.6 | Very low | 32.2 | Very low | 178 Ų | 178 | 141.8 Ų | 141.8 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | -144.2 | 172.9 | -179.6 | -128.6 | -173.2 | -14.4 | 0 | 0 | 105 | ||||
| 147 | P | 47.3 | Very low | 32.1 | Very low | 97 Ų | 97 | 141.2 Ų | 141.2 | 63% | 0.63 | 81% | 0.805 | S | S | * | * | cis | -126.8 | -157.5 | -17.5 | 39 | -19.5 | 0 | 0 | 0 | 110.5 | ||||
| 148 | E | 27.4 | Very low | 31.7 | Very low | 179 Ų | 179 | 144.9 Ų | 144.9 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | 174.5 | 168.4 | 127.8 | -90.8 | -56.2 | 100.6 | 0 | 0 | 110.7 | |||||
| 149 | E | 27.3 | Very low | 31.6 | Very low | 178 Ų | 178 | 140.8 Ų | 140.8 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | -117.4 | -150.2 | -162.1 | -143 | -155 | 133.2 | 0 | 0 | 114.7 | ||||
| 150 | P | 44.8 | Very low | 31.9 | Very low | 97 Ų | 97 | 138.5 Ų | 138.5 | 63% | 0.63 | 81% | 0.805 | S | S | * | * | trans | -124.5 | 179.4 | -138.1 | 44 | -25.4 | 0 | 0 | 0 | 116.7 | ||||
| 151 | T | 26.1 | Very low | 32.7 | Very low | 129 Ų | 129 | 138.9 Ų | 138.9 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -169 | 110.5 | 159.4 | -80.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 152 | S | 27.8 | Very low | 32.8 | Very low | 103 Ų | 103 | 138.3 Ų | 138.3 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | 66.6 | 113.6 | 70.4 | -171.5 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 153 | S | 31.7 | Very low | 33.8 | Very low | 118 Ų | 118 | 139.4 Ų | 139.4 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | 166.7 | 125 | 131.4 | -72.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 154 | Q | 33.4 | Very low | 33.7 | Very low | 161 Ų | 161 | 139 Ų | 139 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | trans | -98.5 | 167.6 | 151.3 | -135.1 | 179.7 | -65.6 | 0 | 0 | 106.9 | D156 | Q154-D156 PolarHBondContact NE2-OD1 3.03Š| ||
| 155 | P | 46.8 | Very low | 33.8 | Very low | 109 Ų | 109 | 131.3 Ų | 131.3 | 71% | 0.708 | 78% | 0.783 | S | S | * | * | -150.3 | 160.2 | 64 | 38.9 | -17.8 | 0 | 0 | 0 | 118 | |||||
| 156 | D | 30.5 | Very low | 34.1 | Very low | 137 Ų | 137 | 130.7 Ų | 130.7 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | trans | 28.1 | 144.2 | 132.8 | -41 | -31 | 0 | 0 | 0 | 123.8 | Q154 | Q154-D156 PolarHBondContact NE2-OD1 3.03Š| ||
| 157 | G | 30 | Very low | 34.5 | Very low | 81 Ų | 81 | 128 Ų | 128 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | trans | -172 | 126.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 158 | E | 30.2 | Very low | 33.6 | Very low | 203 Ų | 203 | 131 Ų | 131 | 95% | 0.949 | 77% | 0.773 | S | S | * | * | trans | -133.3 | 137.1 | -165.8 | 176.3 | 175.5 | 85.2 | 0 | 0 | 112.7 | ||||
| 159 | A | 30.6 | Very low | 33.8 | Very low | 101 Ų | 101 | 129.9 Ų | 129.9 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | trans | 177.7 | 157.2 | 152.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 160 | A | 32.9 | Very low | 33.6 | Very low | 94 Ų | 94 | 127.4 Ų | 127.4 | 78% | 0.777 | 77% | 0.765 | S | S | * | * | trans | -142.1 | -176.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 161 | P | 42.9 | Very low | 32.9 | Very low | 123 Ų | 123 | 127.4 Ų | 127.4 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | cis | -136.5 | -148 | 4.1 | 43.4 | -21.9 | 0 | 0 | 0 | 114.8 | ||||
| 162 | Q | 34.3 | Very low | 33 | Very low | 180 Ų | 180 | 128.3 Ų | 128.3 | 84% | 0.841 | 77% | 0.767 | S | S | * | * | trans | -80.6 | -169.4 | -175.8 | -52.8 | 173.6 | -82.7 | 0 | 0 | 113.1 | ||||
| 163 | P | 50.9 | Low | 33.2 | Very low | 119 Ų | 119 | 127.6 Ų | 127.6 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | cis | -147.4 | -150.4 | 10.6 | 46.2 | -23.2 | 0 | 0 | 0 | 117 | ||||
| 164 | A | 28.6 | Very low | 34.2 | Very low | 98 Ų | 98 | 127.2 Ų | 127.2 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | trans | 83.2 | 146.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 165 | A | 34.6 | Very low | 33.9 | Very low | 72 Ų | 72 | 129 Ų | 129 | 60% | 0.595 | 77% | 0.771 | S | S | * | * | cis | -167.7 | 162.6 | -18.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 166 | E | 34.1 | Very low | 33 | Very low | 188 Ų | 188 | 127.6 Ų | 127.6 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | trans | 54.6 | 151.3 | 143.9 | -71.7 | 153.9 | 169.6 | 0 | 0 | 121.4 | ||||
| 167 | E | 31.6 | Very low | 33 | Very low | 122 Ų | 122 | 132 Ų | 132 | 57% | 0.57 | 78% | 0.783 | S | S | * | * | cis | -148.8 | -157 | -7 | -144.8 | -148.6 | 144.4 | 0 | 0 | 108.1 | Q169 | E167-Q169 PolarHBondContact OE1-NE2 3.46Š| ||
| 168 | Q | 29.2 | Very low | 32.9 | Very low | 158 Ų | 158 | 134 Ų | 134 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | cis | -157.2 | 144.2 | 0.3 | -174.8 | 165.5 | 100.3 | 0 | 0 | 105.6 | ||||
| 169 | Q | 31.2 | Very low | 33 | Very low | 156 Ų | 156 | 130 Ų | 130 | 73% | 0.729 | 77% | 0.768 | S | S | * | * | cis | 106.2 | 79.6 | 13.2 | -175.5 | 165.2 | -122.3 | 0 | 0 | 116.1 | E167 | E167-Q169 PolarHBondContact OE1-NE2 3.46Š| ||
| 170 | T | 23.5 | Very low | 33.2 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | -166.9 | 123.3 | 158.9 | -72.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 171 | S | 30.7 | Very low | 33 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | 76.1 | 145.8 | 63.4 | -110.5 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 172 | D | 28.5 | Very low | 32.5 | Very low | 147 Ų | 147 | 142.9 Ų | 142.9 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | cis | -148.2 | -179.6 | 18.3 | -84.5 | -54.1 | 0 | 0 | 0 | 114.4 | ||||
| 173 | A | 30.8 | Very low | 32.2 | Very low | 89 Ų | 89 | 142.4 Ų | 142.4 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | -142.1 | 177.4 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 174 | P | 52.2 | Low | 31.3 | Very low | 109 Ų | 109 | 142.4 Ų | 142.4 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | cis | -143.1 | -148.5 | 11.9 | 42.8 | -19.7 | 0 | 0 | 0 | 114.6 | ||||
| 175 | E | 28.6 | Very low | 31.4 | Very low | 198 Ų | 198 | 143.5 Ų | 143.5 | 93% | 0.925 | 77% | 0.768 | S | S | * | * | trans | 78.6 | 144 | 161.4 | -81.5 | -176.4 | 96.4 | 0 | 0 | 121.8 | ||||
| 176 | G | 26.6 | Very low | 31.2 | Very low | 81 Ų | 81 | 146.8 Ų | 146.8 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | trans | 157.6 | 106.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 177 | R | 30.5 | Very low | 30.8 | Very low | 229 Ų | 229 | 145.6 Ų | 145.6 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | trans | -124.3 | 129.3 | -176.7 | -179.8 | -167.9 | -172.8 | -171.4 | 5.3 | 111.3 | ||||
| 178 | S | 28.2 | Very low | 30.9 | Very low | 122 Ų | 122 | 146.4 Ų | 146.4 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | trans | -152.5 | 164.9 | 168.2 | 42.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 179 | I | 33.1 | Very low | 30.9 | Very low | 120 Ų | 120 | 145 Ų | 145 | 62% | 0.615 | 78% | 0.779 | S | S | * | * | trans | -135.9 | 153.5 | -161.3 | -73.7 | 174.2 | 0 | 0 | 0 | 109.5 | ||||
| 180 | E | 34.4 | Very low | 30.8 | Very low | 178 Ų | 178 | 143.3 Ų | 143.3 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | 58.4 | 122.8 | 164.8 | -77.4 | 160 | -174.5 | 0 | 0 | 119.9 | ||||
| 181 | R | 28.3 | Very low | 31.4 | Very low | 243 Ų | 243 | 144.9 Ų | 144.9 | 92% | 0.917 | 78% | 0.782 | S | S | * | * | -151.4 | 146.8 | 103.5 | -150.7 | 164.3 | -171.5 | 79.4 | 2.3 | 113.7 | |||||
| 182 | E | 32.5 | Very low | 31.5 | Very low | 167 Ų | 167 | 144.8 Ų | 144.8 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | trans | -79.6 | 162.5 | 179 | -169.9 | -157.7 | 100.1 | 0 | 0 | 113.1 | ||||
| 183 | K | 29.1 | Very low | 32 | Very low | 171 Ų | 171 | 145.9 Ų | 145.9 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | trans | 107.6 | 91.9 | 139.5 | -161.7 | 172.5 | -176.9 | 167.7 | 0 | 119.3 | ||||
| 184 | S | 30.7 | Very low | 32.2 | Very low | 119 Ų | 119 | 149.1 Ų | 149.1 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -150 | 92 | 137 | 63.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 185 | V | 31.6 | Very low | 31.3 | Very low | 120 Ų | 120 | 149.1 Ų | 149.1 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -52.6 | 143.4 | 153.7 | 169.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 186 | D | 30 | Very low | 31.6 | Very low | 142 Ų | 142 | 147.9 Ų | 147.9 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | cis | -161.7 | -174.6 | 45.2 | -142.7 | -32.9 | 0 | 0 | 0 | 113.9 | ||||
| 187 | H | 26.1 | Very low | 31.8 | Very low | 163 Ų | 163 | 150 Ų | 150 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | 72.1 | 125.6 | 162.4 | -117.5 | -125.8 | 0 | 0 | 0 | 116.4 | ||||
| 188 | L | 33.5 | Very low | 32 | Very low | 139 Ų | 139 | 143.3 Ų | 143.3 | 73% | 0.728 | 76% | 0.762 | S | S | * | * | cis | -158.3 | 130.2 | 15 | 176 | 83.6 | 0 | 0 | 0 | 110.2 | ||||
| 189 | T | 27.9 | Very low | 32.2 | Very low | 128 Ų | 128 | 145 Ų | 145 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | -141.6 | 116.3 | 170.8 | 53.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 190 | V | 30.9 | Very low | 32.2 | Very low | 120 Ų | 120 | 142.6 Ų | 142.6 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | 52.7 | 105 | 128.9 | -174.6 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 191 | I | 36 | Very low | 32.2 | Very low | 160 Ų | 160 | 141 Ų | 141 | 82% | 0.821 | 77% | 0.768 | S | S | * | * | trans | 71.5 | 141.9 | 144.9 | -64.2 | 174.3 | 0 | 0 | 0 | 116.2 | ||||
| 192 | S | 32.3 | Very low | 32.5 | Very low | 95 Ų | 95 | 133.7 Ų | 133.7 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | cis | -151.4 | 168.3 | 6.7 | -144.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 193 | E | 39.5 | Very low | 33 | Very low | 171 Ų | 171 | 131.3 Ų | 131.3 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | trans | 49.1 | 116.4 | 133.2 | -171.4 | 179 | 163.2 | 0 | 0 | 123.6 | ||||
| 194 | I | 34.2 | Very low | 33.4 | Very low | 156 Ų | 156 | 129.4 Ų | 129.4 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | trans | -175.4 | 148.2 | 131.6 | 36.1 | 177.1 | 0 | 0 | 0 | 107.8 | ||||
| 195 | T | 33.8 | Very low | 33.5 | Very low | 109 Ų | 109 | 132.2 Ų | 132.2 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | cis | -156.9 | 150.2 | -4.2 | 28 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 196 | E | 34.2 | Very low | 33.5 | Very low | 172 Ų | 172 | 130 Ų | 130 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | 49.2 | 144.5 | 152.9 | -63.3 | -175 | 94.8 | 0 | 0 | 120.4 | ||||
| 197 | T | 31.4 | Very low | 33.3 | Very low | 127 Ų | 127 | 131.3 Ų | 131.3 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | cis | -158.6 | 177.9 | 27 | -18.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 198 | S | 34.4 | Very low | 33.5 | Very low | 88 Ų | 88 | 129.9 Ų | 129.9 | 62% | 0.615 | 76% | 0.762 | S | S | * | * | trans | 86.6 | 93.3 | 163.9 | -170.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 199 | N | 32.2 | Very low | 33.3 | Very low | 158 Ų | 158 | 128.6 Ų | 128.6 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | 45.3 | 122.4 | 121.2 | -39.6 | -31.2 | 0 | 0 | 0 | 118.9 | |||||
| 200 | G | 32.8 | Very low | 34.3 | Very low | 68 Ų | 68 | 128 Ų | 128 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | cis | 147.3 | 152 | -1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 201 | V | 34.1 | Very low | 34.1 | Very low | 144 Ų | 144 | 128.3 Ų | 128.3 | 87% | 0.873 | 77% | 0.766 | S | S | * | * | trans | 65 | 108.1 | 171.9 | -175.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 202 | A | 36.3 | Very low | 33.8 | Very low | 91 Ų | 91 | 127.1 Ų | 127.1 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | trans | -86.8 | 159.1 | 146.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 203 | P | 42.8 | Very low | 33.6 | Very low | 117 Ų | 117 | 127.8 Ų | 127.8 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | -145.6 | 171 | 104.3 | 39.6 | -26.3 | 0 | 0 | 0 | 116.2 | |||||
| 204 | V | 36.4 | Very low | 33.1 | Very low | 131 Ų | 131 | 124.8 Ų | 124.8 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | -45.1 | 146.2 | 158 | 174 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 205 | M | 33.3 | Very low | 33 | Very low | 177 Ų | 177 | 123.4 Ų | 123.4 | 87% | 0.872 | 77% | 0.767 | S | S | * | * | trans | -157.4 | 162.2 | 146.2 | -103.2 | -66.6 | -87.1 | 0 | 0 | 110.2 | ||||
| 206 | A | 31 | Very low | 32.9 | Very low | 74 Ų | 74 | 123.3 Ų | 123.3 | 61% | 0.612 | 77% | 0.77 | S | S | * | * | trans | -138.7 | 171.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 207 | E | 27.1 | Very low | 33 | Very low | 170 Ų | 170 | 121.2 Ų | 121.2 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | 73.2 | 151.8 | 165.9 | -72.2 | -58.1 | 143.9 | 0 | 0 | 121.1 | ||||
| 208 | T | 29.7 | Very low | 32.9 | Very low | 133 Ų | 133 | 124 Ų | 124 | 82% | 0.816 | 77% | 0.773 | S | S | * | * | trans | 74.3 | 166.4 | 171.3 | 70.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 209 | S | 30 | Very low | 32.9 | Very low | 112 Ų | 112 | 128.8 Ų | 128.8 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | -140.4 | -149.2 | -153.3 | -57.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 210 | P | 48.3 | Very low | 33 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | -125.8 | -141.1 | -94.5 | 42 | -24.8 | 0 | 0 | 0 | 113.5 | |||||
| 211 | T | 27.3 | Very low | 33 | Very low | 128 Ų | 128 | 130.7 Ų | 130.7 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | 78.4 | 140 | 179.8 | -5.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 212 | V | 29.4 | Very low | 33 | Very low | 135 Ų | 135 | 133.5 Ų | 133.5 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | cis | -143.9 | 166.4 | 24.5 | -80.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 213 | S | 27.9 | Very low | 33.6 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | cis | -171.4 | 145 | -15 | 165.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 214 | S | 28.3 | Very low | 33 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | -163.7 | 115.5 | 142.1 | 46.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 215 | V | 32 | Very low | 32.8 | Very low | 127 Ų | 127 | 131.8 Ų | 131.8 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | 63.5 | 103.3 | 141 | -171.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 216 | S | 32.8 | Very low | 32.9 | Very low | 107 Ų | 107 | 131 Ų | 131 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | 69.5 | 116.8 | 139.8 | -59.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 217 | P | 35.5 | Very low | 33.4 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | -124.5 | 153.5 | 123.7 | 7.2 | 13.9 | 0 | 0 | 0 | 112.7 | |||||
| 218 | K | 30 | Very low | 33.9 | Very low | 187 Ų | 187 | 133.5 Ų | 133.5 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | -123.3 | 120.5 | 177.1 | -169.3 | 179.6 | 176.9 | 70.6 | 0 | 111.6 | ||||
| 219 | F | 32.9 | Very low | 34.2 | Very low | 187 Ų | 187 | 131 Ų | 131 | 82% | 0.82 | 79% | 0.785 | S | S | * | * | trans | -72.1 | 159.4 | 174.9 | -73.1 | -98.6 | 0 | 0 | 0 | 112.9 | ||||
| 220 | H | 35.1 | Very low | 34.7 | Very low | 180 Ų | 180 | 135.9 Ų | 135.9 | 83% | 0.833 | 79% | 0.786 | S | S | * | * | trans | -160.6 | 165.9 | 132.9 | -97.4 | -63.9 | 0 | 0 | 0 | 112.7 | ||||
| 221 | A | 32.3 | Very low | 34.7 | Very low | 86 Ų | 86 | 136.1 Ų | 136.1 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | -84.6 | 142.8 | -149.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 222 | K | 35.1 | Very low | 35.4 | Very low | 204 Ų | 204 | 139.8 Ų | 139.8 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | 52.7 | 174.6 | 122.5 | -113.8 | -168.1 | 176.7 | 178.3 | 0 | 120 | |||||
| 223 | P | 47.8 | Very low | 36 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | -130.7 | 170.9 | -117.1 | 43.1 | -26.1 | 0 | 0 | 0 | 117.2 | |||||
| 224 | G | 31.1 | Very low | 36.5 | Very low | 73 Ų | 73 | 139 Ų | 139 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | 150.6 | 137.9 | 145.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 225 | S | 31.3 | Very low | 37 | Very low | 110 Ų | 110 | 138.2 Ų | 138.2 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | 74.5 | 126.2 | 142 | -139.7 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 226 | H | 36.6 | Very low | 37.6 | Very low | 161 Ų | 161 | 143.7 Ų | 143.7 | 75% | 0.745 | 79% | 0.789 | S | S | * | * | trans | 86.4 | 124.1 | 135.1 | -101.3 | -123.2 | 0 | 0 | 0 | 124.7 | ||||
| 227 | I | 40 | Very low | 37.9 | Very low | 133 Ų | 133 | 144.8 Ų | 144.8 | 68% | 0.682 | 80% | 0.797 | S | S | * | * | trans | 63.8 | 112.5 | 149.3 | 62.7 | 165.2 | 0 | 0 | 0 | 124.7 | ||||
| 228 | N | 38.6 | Very low | 37.9 | Very low | 163 Ų | 163 | 142.1 Ų | 142.1 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | 44.7 | 108.8 | 124.9 | -56.5 | -12.2 | 0 | 0 | 0 | 121 | |||||
| 229 | G | 35 | Very low | 38.3 | Very low | 81 Ų | 81 | 138.7 Ų | 138.7 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | -148.4 | 93.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 230 | R | 40.9 | Very low | 38.7 | Very low | 214 Ų | 214 | 138 Ų | 138 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | trans | -26 | 140.1 | 172.7 | -170.5 | -175.4 | -161.2 | 171.9 | 7.9 | 118.8 | ||||
| 231 | P | 48.1 | Very low | 38.9 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -81.8 | 149.3 | 176.4 | 34 | -36.2 | 0 | 0 | 0 | 114.4 | ||||
| 232 | R | 43.3 | Very low | 39.6 | Very low | 205 Ų | 205 | 137.2 Ų | 137.2 | 77% | 0.774 | 81% | 0.806 | S | S | * | * | trans | -145.7 | 155.4 | 166.6 | -89.2 | -64.5 | 174.9 | 174.7 | -3.4 | 113.4 | ||||
| 233 | L | 40.6 | Very low | 39.6 | Very low | 146 Ų | 146 | 131.4 Ų | 131.4 | 76% | 0.764 | 80% | 0.804 | S | S | * | * | trans | -64.9 | 143.9 | -172.1 | -78.1 | 53.5 | 0 | 0 | 0 | 114 | ||||
| 234 | G | 38.2 | Very low | 39.5 | Very low | 80 Ų | 80 | 131.1 Ų | 131.1 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -113.8 | 143 | 149.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 235 | S | 40.2 | Very low | 40.1 | Very low | 93 Ų | 93 | 132.9 Ų | 132.9 | 65% | 0.65 | 80% | 0.803 | S | S | * | * | trans | -129.8 | 139 | -162.9 | -85.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 236 | R | 45.1 | Very low | 41.2 | Very low | 242 Ų | 242 | 138.6 Ų | 138.6 | 91% | 0.913 | 81% | 0.807 | S | S | * | * | trans | 56.1 | 101.6 | 148.1 | -57.8 | 171.1 | 79 | -145.1 | 8.4 | 118.8 | ||||
| 237 | S | 37.9 | Very low | 41 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | -173.1 | 148.2 | 120.4 | -150 | 0 | 0 | 0 | 0 | 109 | |||||
| 238 | G | 35.7 | Very low | 40.9 | Very low | 71 Ų | 71 | 135.5 Ų | 135.5 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | cis | 143.7 | 93.5 | -3.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 239 | S | 39 | Very low | 41.3 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | trans | -142.3 | 133.8 | 170.3 | -173.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 240 | L | 40.2 | Very low | 41.4 | Very low | 172 Ų | 172 | 138 Ų | 138 | 90% | 0.901 | 81% | 0.812 | S | S | * | * | trans | -124 | 117.9 | -178.7 | -70 | 169.7 | 0 | 0 | 0 | 108.8 | ||||
| 241 | V | 41.1 | Very low | 41.3 | Very low | 143 Ų | 143 | 137.9 Ų | 137.9 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | trans | -130.3 | 122.6 | 155.1 | 176.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 242 | A | 45.1 | Very low | 40.4 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 88% | 0.876 | 80% | 0.801 | S | S | * | * | trans | -91.1 | 140.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 243 | G | 36.6 | Very low | 40 | Very low | 82 Ų | 82 | 134.5 Ų | 134.5 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | trans | -169.3 | 59.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 244 | S | 45.7 | Very low | 39.9 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -77 | 153.5 | 166.9 | -150.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 245 | P | 42.8 | Very low | 39.7 | Very low | 111 Ų | 111 | 132.3 Ų | 132.3 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | cis | -140.3 | 172 | 25.2 | 40.5 | -20.5 | 0 | 0 | 0 | 118.9 | P247 | P245-P247 WeakPolarHBondContact O-CD 3.47Š| ||
| 246 | R | 54.8 | Low | 39.7 | Very low | 229 Ų | 229 | 134 Ų | 134 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -32.6 | 116.7 | 170.2 | -179.6 | -171.8 | -168.8 | 168.1 | 4.1 | 116.7 | ||||
| 247 | P | 31.9 | Very low | 39.3 | Very low | 120 Ų | 120 | 129.3 Ų | 129.3 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -85.2 | 156.4 | 157.5 | -8 | 27.1 | 0 | 0 | 0 | 112.1 | P245 | P245-P247 WeakPolarHBondContact O-CD 3.47Š| ||
| 248 | S | 37.9 | Very low | 39.4 | Very low | 109 Ų | 109 | 130.6 Ų | 130.6 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | -97.2 | 169.3 | 178.3 | -69.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 249 | L | 47.6 | Very low | 39.6 | Very low | 163 Ų | 163 | 134.2 Ų | 134.2 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | -21.6 | 128 | 164.7 | -61.5 | 160.4 | 0 | 0 | 0 | 115.4 | ||||
| 250 | T | 37.5 | Very low | 39.6 | Very low | 135 Ų | 135 | 135 Ų | 135 | 83% | 0.828 | 79% | 0.794 | S | S | * | * | 168.8 | 146.2 | 112.8 | 37.6 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 251 | R | 37.4 | Very low | 39.5 | Very low | 211 Ų | 211 | 130.1 Ų | 130.1 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | trans | 73.4 | 150.2 | 147 | -124.6 | 172 | 165.4 | -118 | -0.5 | 121.5 | ||||
| 252 | Q | 30.7 | Very low | 39.2 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 56% | 0.556 | 78% | 0.782 | S | S | * | * | trans | 63 | 101.9 | 163.4 | -51 | -56.9 | 52.5 | 0 | 0 | 120.3 | ||||
| 253 | P | 34.9 | Very low | 39.4 | Very low | 134 Ų | 134 | 129.4 Ų | 129.4 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | trans | -79.9 | 104.1 | 144 | 30.7 | -23.9 | 0 | 0 | 0 | 109.5 | ||||
| 254 | S | 37.2 | Very low | 39.7 | Very low | 84 Ų | 84 | 130.5 Ų | 130.5 | 59% | 0.587 | 78% | 0.776 | S | S | * | * | trans | -102.4 | 102.8 | 177.1 | -66.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 255 | A | 35.3 | Very low | 39.5 | Very low | 95 Ų | 95 | 133.4 Ų | 133.4 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -130.4 | 105.7 | 156.4 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 256 | I | 39 | Very low | 39.9 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 66% | 0.662 | 78% | 0.775 | S | S | * | * | cis | 60.4 | 75.9 | 42.2 | -42.7 | 179.1 | 0 | 0 | 0 | 110.8 | E258 | I256-E258 HydrophobicContact CG2-CG 4.34Š| ||
| 257 | T | 38 | Very low | 39.3 | Very low | 143 Ų | 143 | 131.6 Ų | 131.6 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | trans | -125.9 | 128.6 | 141.3 | -51.6 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 258 | E | 37.9 | Very low | 39.8 | Very low | 156 Ų | 156 | 130.3 Ų | 130.3 | 73% | 0.729 | 75% | 0.754 | S | S | * | * | trans | -85.5 | 137 | -162.7 | -58.9 | -173.9 | 152.1 | 0 | 0 | 112.8 | I256 | I256-E258 HydrophobicContact CG2-CG 4.34Š| ||
| 259 | V | 41.2 | Very low | 39.8 | Very low | 148 Ų | 148 | 134.4 Ų | 134.4 | 90% | 0.897 | 75% | 0.754 | S | S | * | * | trans | -130.8 | 105 | 151.8 | 176.5 | 0 | 0 | 0 | 0 | 106.1 | G261 | V259-G261 PolarHBondContact O-N 3.36Š| ||
| 260 | T | 38 | Very low | 39.9 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 82% | 0.816 | 74% | 0.741 | S | S | * | * | trans | -75.3 | 118.6 | -173.2 | -55.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 261 | G | 38.2 | Very low | 40 | Very low | 69 Ų | 69 | 129.9 Ų | 129.9 | 71% | 0.711 | 72% | 0.724 | S | S | * | * | trans | 175.3 | 63.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | V259 | V259-G261 PolarHBondContact O-N 3.36Š| ||
| 262 | D | 35.2 | Very low | 40.4 | Very low | 151 Ų | 151 | 124.9 Ų | 124.9 | 81% | 0.807 | 71% | 0.713 | S | S | * | * | trans | 53 | 105.6 | 155.9 | -150.3 | -8 | 0 | 0 | 0 | 121.5 | S264 | D262-S264 VanDerWaalsContact C-N 3.33Å; D262-S264 PolarHBondContact O-N 3.48Å | ||
| 263 | G | 50 | Low | 41.2 | Very low | 83 Ų | 83 | 121.8 Ų | 121.8 | 86% | 0.856 | 71% | 0.708 | S | S | * | * | S | Bend | 73.7 | -24.4 | 122.3 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||
| 264 | S | 41.5 | Very low | 41.8 | Very low | 105 Ų | 105 | 120.1 Ų | 120.1 | 73% | 0.734 | 69% | 0.69 | S | S | * | * | trans | -95.6 | 158.2 | -171.9 | 63 | 0 | 0 | 0 | 0 | 114.2 | D262 P266 | D262-S264 VanDerWaalsContact C-N 3.33Å; D262-S264 PolarHBondContact O-N 3.48Å; S264-P266 WeakPolarHBondContact O-CD 3.34Å | ||
| 265 | K | 41.8 | Very low | 42.1 | Very low | 174 Ų | 174 | 121.8 Ų | 121.8 | 76% | 0.757 | 69% | 0.692 | S | S | * | * | trans | -66.7 | 129.3 | -173.2 | -100 | 80.2 | 169.9 | -171.3 | 0 | 111.8 | R267 | K265-R267 PolarHBondContact O-N 3.48Š| ||
| 266 | P | 51.3 | Low | 42.8 | Very low | 116 Ų | 116 | 121.4 Ų | 121.4 | 75% | 0.753 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -80.6 | 107.5 | 162.4 | 31.1 | -30.9 | 0 | 0 | 0 | 110.4 | S264 | S264-P266 WeakPolarHBondContact O-CD 3.34Š|
| 267 | R | 42.1 | Very low | 43.3 | Very low | 186 Ų | 186 | 117.9 Ų | 117.9 | 70% | 0.702 | 67% | 0.67 | S | S | * | * | trans | 170.2 | -6.5 | 130.6 | -95.4 | -172.9 | -59 | -171.8 | 6.3 | 116.1 | K265 Y269 L270 I271 | K265-R267 PolarHBondContact O-N 3.48Å; R267-Y269 VanDerWaalsContact C-N 3.26Å; R267-Y269 PolarHBondContact O-N 3.42Å; R267-L270 WeakPolarHBondContact O-CB 3.42Å; R267-L270 PolarHBondContact O-N 3.48Å; R267-I271 PolarHBondContact O-N 3.29Å | ||
| 268 | D | 43 | Very low | 44 | Very low | 94 Ų | 94 | 112.9 Ų | 112.9 | 50% | 0.503 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -61.7 | -32.5 | -169.5 | -52 | -69.3 | 0 | 0 | 0 | 113.4 | L270 I271 L272 | D268-L270 VanDerWaalsContact C-N 3.28Å; D268-L270 PolarHBondContact O-N 3.17Å; D268-I271 WeakPolarHBondContact O-CB 3.46Å; D268-I271 PolarHBondContact O-N 3.49Å; D268-I271 VanDerWaalsContact O-N 3.12Å; D268-L272 PolarHBondContact O-N 3.08Å; D268-L272 VanDerWaalsContact O-N 3.09Å |
| 269 | Y | 38.4 | Very low | 44 | Very low | 194 Ų | 194 | 109.1 Ų | 109.1 | 76% | 0.761 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -62.9 | -27.2 | 172.1 | -58.7 | -73.7 | 0 | 0 | 0 | 114.6 | R267 L272 A273 | R267-Y269 VanDerWaalsContact C-N 3.26Å; R267-Y269 PolarHBondContact O-N 3.42Å; Y269-L272 HydrophobicContact CD1-CD1 4.36Å; Y269-A273 PolarHBondContact O-N 3.29Å; Y269-A273 VanDerWaalsContact O-N 3.1Å |
| 270 | L | 49.2 | Very low | 44.3 | Very low | 109 Ų | 109 | 103 Ų | 103 | 57% | 0.571 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -77.8 | -27.5 | 175.3 | -118.6 | 172.5 | 0 | 0 | 0 | 111.8 | R267 D268 I274 | R267-L270 WeakPolarHBondContact O-CB 3.42Å; R267-L270 PolarHBondContact O-N 3.48Å; D268-L270 VanDerWaalsContact C-N 3.28Å; D268-L270 PolarHBondContact O-N 3.17Å; L270-I274 WeakPolarHBondContact O-CD1 3.39Å; L270-I274 WeakPolarHBondContact O-CG1 3.29Å; L270-I274 PolarHBondContact O-N 3.34Å |
| 271 | I | 40.4 | Very low | 44.8 | Very low | 94 Ų | 94 | 98.7 Ų | 98.7 | 48% | 0.482 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -73.3 | -41.6 | 174.7 | -61.7 | 172.6 | 0 | 0 | 0 | 109.5 | R267 D268 A273 I274 L275 | R267-I271 PolarHBondContact O-N 3.29Å; D268-I271 WeakPolarHBondContact O-CB 3.46Å; D268-I271 PolarHBondContact O-N 3.49Å; D268-I271 VanDerWaalsContact O-N 3.12Å; I271-A273 VanDerWaalsContact C-N 3.35Å; I271-A273 PolarHBondContact O-N 3.41Å; I271-I274 PolarHBondContact O-N 3.24Å; I271-L275 HydrophobicContact CG2-CD1 4.02Å; I271-L275 WeakPolarHBondContact O-CG 3.35Å; I271-L275 PolarHBondContact O-N 2.78Å |
| 272 | L | 45.6 | Very low | 45.2 | Very low | 107 Ų | 107 | 100.8 Ų | 100.8 | 56% | 0.56 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -57.4 | -44.2 | 169.6 | -75.7 | 164.6 | 0 | 0 | 0 | 112.2 | D268 Y269 I274 L275 S276 | D268-L272 PolarHBondContact O-N 3.08Å; D268-L272 VanDerWaalsContact O-N 3.09Å; Y269-L272 HydrophobicContact CD1-CD1 4.36Å; L272-I274 VanDerWaalsContact C-N 3.29Å; L272-I274 PolarHBondContact O-N 3.28Å; L272-L275 PolarHBondContact O-N 3.46Å; L272-S276 WeakPolarHBondContact O-CB 3.07Å; L272-S276 PolarHBondContact O-N 2.9Å |
| 273 | A | 46.1 | Very low | 45.7 | Very low | 53 Ų | 53 | 96.9 Ų | 96.9 | 44% | 0.438 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62 | -32.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y269 I271 C277 | Y269-A273 PolarHBondContact O-N 3.29Å; Y269-A273 VanDerWaalsContact O-N 3.1Å; I271-A273 VanDerWaalsContact C-N 3.35Å; I271-A273 PolarHBondContact O-N 3.41Å; A273-C277 PolarHBondContact O-SG 3.34Å; A273-C277 VanDerWaalsContact O-SG 3.34Å |
| 274 | I | 47.3 | Very low | 45.7 | Very low | 99 Ų | 99 | 95.3 Ų | 95.3 | 51% | 0.508 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -77 | -43.2 | 177.4 | -68.2 | 164.1 | 0 | 0 | 0 | 111.1 | L270 I271 L272 S276 C277 | L270-I274 WeakPolarHBondContact O-CD1 3.39Å; L270-I274 WeakPolarHBondContact O-CG1 3.29Å; L270-I274 PolarHBondContact O-N 3.34Å; I271-I274 PolarHBondContact O-N 3.24Å; L272-I274 VanDerWaalsContact C-N 3.29Å; L272-I274 PolarHBondContact O-N 3.28Å; I274-S276 VanDerWaalsContact C-N 3.3Å; I274-S276 PolarHBondContact O-N 3Å; I274-C277 PolarHBondContact O-N 3.36Å |
| 275 | L | 44.8 | Very low | 46 | Very low | 120 Ų | 120 | 93.6 Ų | 93.6 | 63% | 0.628 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -67.5 | -30.8 | 177.9 | -68.1 | 170.6 | 0 | 0 | 0 | 112.3 | I271 L272 C277 | I271-L275 HydrophobicContact CG2-CD1 4.02Å; I271-L275 WeakPolarHBondContact O-CG 3.35Å; I271-L275 PolarHBondContact O-N 2.78Å; L272-L275 PolarHBondContact O-N 3.46Å; L275-C277 PolarHBondContact O-N 3.21Å |
| 276 | S | 50.2 | Low | 46.3 | Very low | 86 Ų | 86 | 90.5 Ų | 90.5 | 60% | 0.601 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -25.5 | 174.2 | -176.5 | 0 | 0 | 0 | 0 | 113.9 | L272 I274 | L272-S276 WeakPolarHBondContact O-CB 3.07Å; L272-S276 PolarHBondContact O-N 2.9Å; I274-S276 VanDerWaalsContact C-N 3.3Å; I274-S276 PolarHBondContact O-N 3Å |
| 277 | C | 47.9 | Very low | 46.2 | Very low | 55 Ų | 55 | 89 Ų | 89 | 37% | 0.372 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -21.1 | -171.9 | -70.7 | 0 | 0 | 0 | 0 | 113.8 | A273 I274 L275 | A273-C277 PolarHBondContact O-SG 3.34Å; A273-C277 VanDerWaalsContact O-SG 3.34Å; I274-C277 PolarHBondContact O-N 3.36Å; L275-C277 PolarHBondContact O-N 3.21Å |
| 278 | F | 53.5 | Low | 46.2 | Very low | 39 Ų | 39 | 81.2 Ų | 81.2 | 17% | 0.171 | 45% | 0.451 | C | S | . | . | trans | -144.3 | 64.2 | -165.9 | -67.1 | -82.5 | 0 | 0 | 0 | 114.8 | I284 N285 A288 | F278-I284 VanDerWaalsContact CD1-C 3.48Å; F278-I284 HydrophobicContact CD1-CB 3.99Å; F278-I284 HydrophobicContact CD1-CG2 3.61Å; F278-I284 WeakPolarHBondContact CD1-O 3.29Å; F278-I284 HydrophobicContact CE1-CB 4.48Å; F278-I284 HydrophobicContact CE1-CG2 3.68Å; F278-I284 VanDerWaalsContact CE1-O 3.27Å; F278-I284 WeakPolarHBondContact CE1-O 3.23Å; F278-N285 HydrophobicContact CB-CB 4.38Å; F278-N285 VanDerWaalsContact CB-OD1 3.23Å; F278-N285 WeakPolarHBondContact CB-OD1 3.42Å; F278-N285 PolarHBondContact O-ND2 3.23Å; F278-A288 HydrophobicContact CD1-CB 4.37Å; F278-A288 HydrophobicContact CD2-CB 3.18Å; F278-A288 HydrophobicContact CE1-CB 4.31Å; F278-A288 HydrophobicContact CE2-CB 3.12Å; F278-A288 HydrophobicContact CG-CB 3.86Å; F278-A288 HydrophobicContact CZ-CB 3.73Å | ||
| 279 | C | 39 | Very low | 46.4 | Very low | 76 Ų | 76 | 82.5 Ų | 82.5 | 51% | 0.514 | 46% | 0.457 | S | S | . | . | trans | -127.8 | 138.3 | 149 | -110.9 | 0 | 0 | 0 | 0 | 109.2 | L46 | L46-C279 HydrophobicContact CD2-CB 3.99Å; L46-C279 WeakPolarHBondContact CD2-O 3.42Å | ||
| 280 | P | 46.1 | Very low | 46.9 | Very low | 19 Ų | 19 | 77 Ų | 77 | 12% | 0.123 | 44% | 0.444 | C | S | . | . | S | Bend | cis | -118.1 | 168.2 | 16.6 | 36.6 | -22.8 | 0 | 0 | 0 | 115.7 | V49 R50 | V49-P280 HydrophobicContact CB-CG 4.48Å; V49-P280 HydrophobicContact CG1-CG 4.1Å; R50-P280 VanDerWaalsContact CA-CG 3.43Å; R50-P280 HydrophobicContact CB-CB 3.62Å; R50-P280 HydrophobicContact CB-CG 3.77Å; R50-P280 HydrophobicContact CG-CB 3.8Å; R50-P280 HydrophobicContact CG-CG 4.37Å |
| 281 | L | 49.1 | Very low | 46.7 | Very low | 44 Ų | 44 | 74.5 Ų | 74.5 | 23% | 0.23 | 43% | 0.429 | C | S | . | . | S | Bend | trans | 71.7 | 87.3 | 170.4 | -53.7 | 178.8 | 0 | 0 | 0 | 117.3 | R50 P283 | R50-L281 HydrophobicContact CG-CD2 4.29Å; L281-P283 WeakPolarHBondContact O-CD 3.37Å; L281-P283 VanDerWaalsContact O-N 3.12Å |
| 282 | V | 47 | Very low | 46.8 | Very low | 113 Ų | 113 | 72.7 Ų | 72.7 | 69% | 0.685 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.7 | -89.6 | 146.5 | -171.2 | 0 | 0 | 0 | 0 | 117.7 | I284 N285 | V282-I284 PolarHBondContact O-N 3.12Å; V282-N285 WeakPolarHBondContact O-CB 3.46Å; V282-N285 PolarHBondContact O-N 3.48Å |
| 283 | P | 44.8 | Very low | 46.8 | Very low | 69 Ų | 69 | 72.3 Ų | 72.3 | 45% | 0.448 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -55 | -27.7 | -170.5 | 20.2 | -36 | 0 | 0 | 0 | 114.8 | L281 N285 I286 | L281-P283 WeakPolarHBondContact O-CD 3.37Å; L281-P283 VanDerWaalsContact O-N 3.12Å; P283-N285 VanDerWaalsContact C-N 3.33Å; P283-N285 PolarHBondContact O-N 3.47Å; P283-I286 PolarHBondContact O-N 3.1Å |
| 284 | I | 50.7 | Low | 46.8 | Very low | 49 Ų | 49 | 74.2 Ų | 74.2 | 25% | 0.251 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68.2 | -33.5 | -177.3 | -32.4 | -177.7 | 0 | 0 | 0 | 110.9 | F278 V282 I286 V287 | F278-I284 VanDerWaalsContact CD1-C 3.48Å; F278-I284 HydrophobicContact CD1-CB 3.99Å; F278-I284 HydrophobicContact CD1-CG2 3.61Å; F278-I284 WeakPolarHBondContact CD1-O 3.29Å; F278-I284 HydrophobicContact CE1-CB 4.48Å; F278-I284 HydrophobicContact CE1-CG2 3.68Å; F278-I284 VanDerWaalsContact CE1-O 3.27Å; F278-I284 WeakPolarHBondContact CE1-O 3.23Å; V282-I284 PolarHBondContact O-N 3.12Å; I284-I286 PolarHBondContact O-N 3.31Å; I284-V287 PolarHBondContact O-N 3.17Å |
| 285 | N | 46.6 | Very low | 46.4 | Very low | 69 Ų | 69 | 73.5 Ų | 73.5 | 37% | 0.369 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.5 | -27.3 | 175.1 | -97.4 | -68.8 | 0 | 0 | 0 | 113.9 | F278 V282 P283 V287 A288 L289 | F278-N285 HydrophobicContact CB-CB 4.38Å; F278-N285 VanDerWaalsContact CB-OD1 3.23Å; F278-N285 WeakPolarHBondContact CB-OD1 3.42Å; F278-N285 PolarHBondContact O-ND2 3.23Å; V282-N285 WeakPolarHBondContact O-CB 3.46Å; V282-N285 PolarHBondContact O-N 3.48Å; P283-N285 VanDerWaalsContact C-N 3.33Å; P283-N285 PolarHBondContact O-N 3.47Å; N285-V287 VanDerWaalsContact C-N 3.29Å; N285-V287 PolarHBondContact O-N 3.34Å; N285-A288 VanDerWaalsContact O-CB 3.23Å; N285-A288 WeakPolarHBondContact O-CB 3.45Å; N285-A288 PolarHBondContact O-N 2.98Å; N285-L289 PolarHBondContact O-N 3.49Å |
| 286 | I | 50.1 | Low | 46.3 | Very low | 109 Ų | 109 | 77.1 Ų | 77.1 | 56% | 0.559 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -71.8 | -28.8 | -174.4 | -62.1 | 178.2 | 0 | 0 | 0 | 111.1 | P283 I284 T290 | P283-I286 PolarHBondContact O-N 3.1Å; I284-I286 PolarHBondContact O-N 3.31Å; I286-T290 PolarHBondContact O-N 2.89Å; I286-T290 PolarHBondContact O-OG1 2.96Å |
| 287 | V | 48.4 | Very low | 45.9 | Very low | 84 Ų | 84 | 78.5 Ų | 78.5 | 51% | 0.509 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -73.6 | -34.1 | 174.9 | -168.3 | 0 | 0 | 0 | 0 | 111.3 | I284 N285 T290 F291 | I284-V287 PolarHBondContact O-N 3.17Å; N285-V287 VanDerWaalsContact C-N 3.29Å; N285-V287 PolarHBondContact O-N 3.34Å; V287-T290 WeakPolarHBondContact CA-OG1 3.46Å; V287-T290 PolarHBondContact O-OG1 3.17Å; V287-T290 VanDerWaalsContact O-OG1 3.1Å; V287-F291 PolarHBondContact O-N 3.31Å |
| 288 | A | 41.9 | Very low | 45.5 | Very low | 23 Ų | 23 | 78.4 Ų | 78.4 | 19% | 0.19 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -59.4 | -47.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F278 N285 F291 S292 | F278-A288 HydrophobicContact CD1-CB 4.37Å; F278-A288 HydrophobicContact CD2-CB 3.18Å; F278-A288 HydrophobicContact CE1-CB 4.31Å; F278-A288 HydrophobicContact CE2-CB 3.12Å; F278-A288 HydrophobicContact CG-CB 3.86Å; F278-A288 HydrophobicContact CZ-CB 3.73Å; N285-A288 VanDerWaalsContact O-CB 3.23Å; N285-A288 WeakPolarHBondContact O-CB 3.45Å; N285-A288 PolarHBondContact O-N 2.98Å; A288-F291 PolarHBondContact O-N 3.17Å; A288-S292 PolarHBondContact O-N 3.4Å; A288-S292 VanDerWaalsContact O-N 3.11Å |
| 289 | L | 47.1 | Very low | 45 | Very low | 121 Ų | 121 | 83.8 Ų | 83.8 | 63% | 0.634 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -69 | -43.3 | -173 | -169.3 | 64.1 | 0 | 0 | 0 | 111.4 | N285 F291 S292 V293 | N285-L289 PolarHBondContact O-N 3.49Å; L289-F291 VanDerWaalsContact C-N 3.31Å; L289-F291 PolarHBondContact O-N 3.45Å; L289-S292 WeakPolarHBondContact O-CB 3.4Å; L289-S292 PolarHBondContact O-N 2.97Å; L289-V293 WeakPolarHBondContact O-CG2 3.32Å; L289-V293 PolarHBondContact O-N 3.29Å; L289-V293 VanDerWaalsContact O-N 3.1Å |
| 290 | T | 49.3 | Very low | 45.3 | Very low | 80 Ų | 80 | 88.5 Ų | 88.5 | 49% | 0.491 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.4 | -36.7 | 174.8 | 37.7 | 0 | 0 | 0 | 0 | 112.4 | I286 V287 V293 M294 | I286-T290 PolarHBondContact O-N 2.89Å; I286-T290 PolarHBondContact O-OG1 2.96Å; V287-T290 WeakPolarHBondContact CA-OG1 3.46Å; V287-T290 PolarHBondContact O-OG1 3.17Å; V287-T290 VanDerWaalsContact O-OG1 3.1Å; T290-V293 PolarHBondContact O-N 3.32Å; T290-M294 PolarHBondContact O-N 3.4Å |
| 291 | F | 44.1 | Very low | 45.2 | Very low | 55 Ų | 55 | 95.1 Ų | 95.1 | 24% | 0.241 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -67.8 | -37.6 | 175.1 | -174.8 | -118.3 | 0 | 0 | 0 | 113 | V287 A288 L289 V293 M294 A314 L317 | V287-F291 PolarHBondContact O-N 3.31Å; A288-F291 PolarHBondContact O-N 3.17Å; L289-F291 VanDerWaalsContact C-N 3.31Å; L289-F291 PolarHBondContact O-N 3.45Å; F291-V293 VanDerWaalsContact C-N 3.27Å; F291-V293 PolarHBondContact O-N 2.84Å; F291-M294 PolarHBondContact O-N 3.24Å; F291-A314 HydrophobicContact CE2-CB 3.87Å; F291-A314 HydrophobicContact CZ-CB 3.81Å; F291-A314 WeakPolarHBondContact CZ-O 3.37Å; F291-L317 HydrophobicContact CD1-CB 4.44Å; F291-L317 HydrophobicContact CD2-CB 3.73Å; F291-L317 HydrophobicContact CD2-CD1 3.71Å; F291-L317 HydrophobicContact CD2-CG 4.33Å; F291-L317 HydrophobicContact CE1-CB 4.17Å; F291-L317 HydrophobicContact CE2-CB 3.47Å; F291-L317 VanDerWaalsContact CE2-CB 3.47Å; F291-L317 HydrophobicContact CE2-CD1 3.71Å; F291-L317 HydrophobicContact CE2-CG 4.24Å; F291-L317 HydrophobicContact CG-CB 4.27Å; F291-L317 HydrophobicContact CZ-CB 3.73Å |
| 292 | S | 42.7 | Very low | 45.3 | Very low | 57 Ų | 57 | 97 Ų | 97 | 40% | 0.399 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.4 | -30.2 | 172.6 | -163.8 | 0 | 0 | 0 | 0 | 113.2 | A288 L289 S295 | A288-S292 PolarHBondContact O-N 3.4Å; A288-S292 VanDerWaalsContact O-N 3.11Å; L289-S292 WeakPolarHBondContact O-CB 3.4Å; L289-S292 PolarHBondContact O-N 2.97Å; S292-S295 WeakPolarHBondContact O-CB 3.41Å |
| 293 | V | 46.1 | Very low | 45.5 | Very low | 98 Ų | 98 | 97 Ų | 97 | 59% | 0.594 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -70.3 | -41.2 | 178 | 168.2 | 0 | 0 | 0 | 0 | 112.7 | L289 T290 F291 S295 R296 | L289-V293 WeakPolarHBondContact O-CG2 3.32Å; L289-V293 PolarHBondContact O-N 3.29Å; L289-V293 VanDerWaalsContact O-N 3.1Å; T290-V293 PolarHBondContact O-N 3.32Å; F291-V293 VanDerWaalsContact C-N 3.27Å; F291-V293 PolarHBondContact O-N 2.84Å; V293-S295 PolarHBondContact O-N 3.45Å; V293-R296 PolarHBondContact O-N 3.09Å; V293-R296 VanDerWaalsContact O-N 3.15Å |
| 294 | M | 46.9 | Very low | 45.9 | Very low | 93 Ų | 93 | 98.8 Ų | 98.8 | 46% | 0.458 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.2 | -31.3 | 178 | -96.5 | -167.4 | 174 | 0 | 0 | 113.1 | T290 F291 R296 L310 | T290-M294 PolarHBondContact O-N 3.4Å; F291-M294 PolarHBondContact O-N 3.24Å; M294-R296 VanDerWaalsContact C-N 3.27Å; M294-R296 PolarHBondContact O-N 2.82Å; M294-L310 HydrophobicContact CE-CD1 4.37Å; M294-L310 HydrophobicContact SD-CD1 4.03Å |
| 295 | S | 37.9 | Very low | 46.2 | Very low | 85 Ų | 85 | 102.1 Ų | 102.1 | 59% | 0.594 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61.4 | -31.1 | 178.6 | -171.2 | 0 | 0 | 0 | 0 | 113.6 | S292 V293 | S292-S295 WeakPolarHBondContact O-CB 3.41Å; V293-S295 PolarHBondContact O-N 3.45Å |
| 296 | R | 42.8 | Very low | 46.5 | Very low | 195 Ų | 195 | 101.1 Ų | 101.1 | 74% | 0.736 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -86.8 | -22.3 | -173.3 | -64.9 | -167.3 | -180 | -159.6 | 2.7 | 115 | V293 M294 S298 | V293-R296 PolarHBondContact O-N 3.09Å; V293-R296 VanDerWaalsContact O-N 3.15Å; M294-R296 VanDerWaalsContact C-N 3.27Å; M294-R296 PolarHBondContact O-N 2.82Å; R296-S298 PolarHBondContact O-N 2.94Å |
| 297 | N | 41.5 | Very low | 46.3 | Very low | 115 Ų | 115 | 97.4 Ų | 97.4 | 62% | 0.615 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -71.3 | -20.4 | -172.6 | -153.8 | 2.2 | 0 | 0 | 0 | 113 | L299 | N297-L299 PolarHBondContact O-N 3.39Š|
| 298 | S | 40.4 | Very low | 46.6 | Very low | 54 Ų | 54 | 102.2 Ų | 102.2 | 38% | 0.378 | 57% | 0.565 | S | S | . | * | G | 310 helix | trans | -83.3 | -5.6 | -172.9 | -165.9 | 0 | 0 | 0 | 0 | 115.8 | R296 A307 | R296-S298 PolarHBondContact O-N 2.94Å; S298-A307 WeakPolarHBondContact OG-CA 3.43Å; S298-A307 WeakPolarHBondContact OG-CB 3.43Å |
| 299 | L | 42.8 | Very low | 47.1 | Very low | 152 Ų | 152 | 110.8 Ų | 110.8 | 80% | 0.796 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -92.1 | -3 | -172.7 | -76.7 | 171.9 | 0 | 0 | 0 | 115.1 | N297 | N297-L299 PolarHBondContact O-N 3.39Š|
| 300 | Q | 45.8 | Very low | 47.4 | Very low | 174 Ų | 174 | 108.2 Ų | 108.2 | 81% | 0.813 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -113.5 | -19.4 | -168.2 | -74 | -85.2 | -66.4 | 0 | 0 | 115.4 | ||
| 301 | Q | 43 | Very low | 47.4 | Very low | 159 Ų | 159 | 106.4 Ų | 106.4 | 74% | 0.743 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -101.4 | 6.7 | -163.4 | -67.4 | -168.8 | -11.7 | 0 | 0 | 116.5 | N303 | Q301-N303 PolarHBondContact O-N 2.89Š|
| 302 | G | 51.9 | Low | 48.2 | Very low | 84 Ų | 84 | 112 Ų | 112 | 87% | 0.866 | 60% | 0.596 | S | S | * | * | trans | 65.4 | -4.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 303 | N | 50.9 | Low | 48.6 | Very low | 112 Ų | 112 | 114.1 Ų | 114.1 | 60% | 0.599 | 60% | 0.603 | S | S | * | * | trans | -109.1 | 108.9 | 178.9 | -173.8 | -24 | 0 | 0 | 0 | 110.3 | Q301 D305 | Q301-N303 PolarHBondContact O-N 2.89Å; N303-D305 PolarHBondContact O-N 3.42Å; N303-D305 PolarHBondContact OD1-N 3.02Å | ||
| 304 | V | 53.4 | Low | 49 | Very low | 107 Ų | 107 | 110.7 Ų | 110.7 | 65% | 0.648 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -74.8 | -19.1 | -169.4 | -69.2 | 0 | 0 | 0 | 0 | 114.6 | A307 R308 | V304-A307 WeakPolarHBondContact O-CB 3.48Å; V304-R308 PolarHBondContact O-N 3.45Å |
| 305 | D | 56.8 | Low | 49.4 | Very low | 119 Ų | 119 | 111.9 Ų | 111.9 | 64% | 0.636 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -80.6 | -31.8 | -171.5 | -65.9 | -61.8 | 0 | 0 | 0 | 113.3 | N303 | N303-D305 PolarHBondContact O-N 3.42Å; N303-D305 PolarHBondContact OD1-N 3.02Å |
| 306 | G | 52.1 | Low | 50.3 | Low | 47 Ų | 47 | 111.4 Ų | 111.4 | 49% | 0.485 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.6 | -43.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R308 R309 L310 | G306-R308 VanDerWaalsContact C-N 3.31Å; G306-R308 PolarHBondContact O-N 3.47Å; G306-R309 PolarHBondContact O-N 3.08Å; G306-L310 PolarHBondContact O-N 2.97Å |
| 307 | A | 45.8 | Very low | 50.8 | Low | 31 Ų | 31 | 104.9 Ų | 104.9 | 26% | 0.256 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -53.5 | -46 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S298 V304 R309 L310 G311 | S298-A307 WeakPolarHBondContact OG-CA 3.43Å; S298-A307 WeakPolarHBondContact OG-CB 3.43Å; V304-A307 WeakPolarHBondContact O-CB 3.48Å; A307-R309 VanDerWaalsContact C-N 3.28Å; A307-R309 PolarHBondContact O-N 3.27Å; A307-L310 PolarHBondContact O-N 3.01Å; A307-G311 PolarHBondContact O-N 3.5Å |
| 308 | R | 54.6 | Low | 51.6 | Low | 186 Ų | 186 | 102 Ų | 102 | 70% | 0.702 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -71.2 | -19.8 | -174.6 | -158 | 176 | -174.7 | -152.5 | 2.8 | 114 | V304 G306 | V304-R308 PolarHBondContact O-N 3.45Å; G306-R308 VanDerWaalsContact C-N 3.31Å; G306-R308 PolarHBondContact O-N 3.47Å |
| 309 | R | 53.8 | Low | 52.3 | Low | 202 Ų | 202 | 102.8 Ų | 102.8 | 76% | 0.762 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -78.4 | -51 | 171.2 | -78.9 | 175.7 | 154.8 | -103.9 | 0.2 | 111.1 | G306 A307 G311 R312 | G306-R309 PolarHBondContact O-N 3.08Å; A307-R309 VanDerWaalsContact C-N 3.28Å; A307-R309 PolarHBondContact O-N 3.27Å; R309-G311 PolarHBondContact O-N 3.22Å; R309-R312 PolarHBondContact O-N 3.19Å |
| 310 | L | 52.7 | Low | 53.1 | Low | 68 Ų | 68 | 98.5 Ų | 98.5 | 36% | 0.356 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.6 | -37.3 | -178.5 | -166.6 | 62.4 | 0 | 0 | 0 | 112.1 | M294 G306 A307 R312 N313 A314 | M294-L310 HydrophobicContact CE-CD1 4.37Å; M294-L310 HydrophobicContact SD-CD1 4.03Å; G306-L310 PolarHBondContact O-N 2.97Å; A307-L310 PolarHBondContact O-N 3.01Å; L310-R312 VanDerWaalsContact C-N 3.27Å; L310-R312 PolarHBondContact O-N 3.11Å; L310-N313 PolarHBondContact O-N 3.37Å; L310-A314 PolarHBondContact O-N 2.96Å |
| 311 | G | 50.3 | Low | 53.5 | Low | 42 Ų | 42 | 92 Ų | 92 | 43% | 0.433 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.4 | -27.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114.8 | A307 R309 L315 | A307-G311 PolarHBondContact O-N 3.5Å; R309-G311 PolarHBondContact O-N 3.22Å; G311-L315 PolarHBondContact O-N 3.23Å |
| 312 | R | 59.3 | Low | 54.2 | Low | 171 Ų | 171 | 89.1 Ų | 89.1 | 65% | 0.645 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -71.2 | -44.4 | 173.1 | -85.4 | 173 | 150.5 | 154.9 | -10 | 111.8 | R309 L310 A314 L315 V316 | R309-R312 PolarHBondContact O-N 3.19Å; L310-R312 VanDerWaalsContact C-N 3.27Å; L310-R312 PolarHBondContact O-N 3.11Å; R312-A314 VanDerWaalsContact C-N 3.25Å; R312-A314 PolarHBondContact O-N 3.43Å; R312-L315 PolarHBondContact O-N 3.39Å; R312-V316 PolarHBondContact O-N 3.02Å; R312-V316 VanDerWaalsContact O-N 3.16Å |
| 313 | N | 52.4 | Low | 54.7 | Low | 102 Ų | 102 | 90.3 Ų | 90.3 | 55% | 0.545 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.9 | -34.5 | 175.3 | -65.6 | 15.6 | 0 | 0 | 0 | 110.7 | L310 V316 L317 | L310-N313 PolarHBondContact O-N 3.37Å; N313-V316 PolarHBondContact O-N 3.01Å; N313-L317 WeakPolarHBondContact O-CG 3.46Å; N313-L317 PolarHBondContact O-N 3.03Å |
| 314 | A | 53.4 | Low | 55.4 | Low | 26 Ų | 26 | 85.7 Ų | 85.7 | 22% | 0.215 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -64 | -40.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113 | F291 L310 R312 V316 L317 S318 | F291-A314 HydrophobicContact CE2-CB 3.87Å; F291-A314 HydrophobicContact CZ-CB 3.81Å; F291-A314 WeakPolarHBondContact CZ-O 3.37Å; L310-A314 PolarHBondContact O-N 2.96Å; R312-A314 VanDerWaalsContact C-N 3.25Å; R312-A314 PolarHBondContact O-N 3.43Å; A314-V316 VanDerWaalsContact C-N 3.33Å; A314-V316 PolarHBondContact O-N 2.78Å; A314-L317 PolarHBondContact O-N 3.19Å; A314-S318 WeakPolarHBondContact O-CB 3.42Å; A314-S318 PolarHBondContact O-N 2.99Å |
| 315 | L | 56.6 | Low | 55.9 | Low | 119 Ų | 119 | 81.7 Ų | 81.7 | 62% | 0.623 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -60.4 | -43.2 | 174.2 | -169.9 | 153.2 | 0 | 0 | 0 | 111.5 | G311 R312 S318 V319 | G311-L315 PolarHBondContact O-N 3.23Å; R312-L315 PolarHBondContact O-N 3.39Å; L315-S318 PolarHBondContact O-N 3.44Å; L315-V319 HydrophobicContact CD2-CG2 4.22Å; L315-V319 WeakPolarHBondContact O-CG2 3.25Å; L315-V319 PolarHBondContact O-N 3.26Å |
| 316 | V | 55 | Low | 55.9 | Low | 75 Ų | 75 | 81 Ų | 81 | 46% | 0.455 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.5 | -48.3 | 175.5 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | R312 N313 A314 S318 V319 V320 | R312-V316 PolarHBondContact O-N 3.02Å; R312-V316 VanDerWaalsContact O-N 3.16Å; N313-V316 PolarHBondContact O-N 3.01Å; A314-V316 VanDerWaalsContact C-N 3.33Å; A314-V316 PolarHBondContact O-N 2.78Å; V316-S318 VanDerWaalsContact C-N 3.32Å; V316-S318 PolarHBondContact O-N 3.25Å; V316-V319 PolarHBondContact O-N 3.42Å; V316-V320 HydrophobicContact CG1-CG2 4.36Å; V316-V320 WeakPolarHBondContact O-CG2 3.45Å; V316-V320 PolarHBondContact O-N 3.18Å |
| 317 | L | 54.7 | Low | 56.2 | Low | 58 Ų | 58 | 81.5 Ų | 81.5 | 30% | 0.304 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.1 | -34.2 | -179.6 | -72.5 | 165.9 | 0 | 0 | 0 | 112.7 | F66 F291 N313 A314 S321 | F66-L317 HydrophobicContact CE2-CD2 3.98Å; F291-L317 HydrophobicContact CD1-CB 4.44Å; F291-L317 HydrophobicContact CD2-CB 3.73Å; F291-L317 HydrophobicContact CD2-CD1 3.71Å; F291-L317 HydrophobicContact CD2-CG 4.33Å; F291-L317 HydrophobicContact CE1-CB 4.17Å; F291-L317 HydrophobicContact CE2-CB 3.47Å; F291-L317 VanDerWaalsContact CE2-CB 3.47Å; F291-L317 HydrophobicContact CE2-CD1 3.71Å; F291-L317 HydrophobicContact CE2-CG 4.24Å; F291-L317 HydrophobicContact CG-CB 4.27Å; F291-L317 HydrophobicContact CZ-CB 3.73Å; N313-L317 WeakPolarHBondContact O-CG 3.46Å; N313-L317 PolarHBondContact O-N 3.03Å; A314-L317 PolarHBondContact O-N 3.19Å; L317-S321 WeakPolarHBondContact O-CB 3.49Å; L317-S321 PolarHBondContact O-N 3.11Å |
| 318 | S | 57.1 | Low | 57.1 | Low | 53 Ų | 53 | 82.1 Ų | 82.1 | 37% | 0.371 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.6 | -47.9 | 171.2 | -171.2 | 0 | 0 | 0 | 0 | 111.9 | A314 L315 V316 V320 S321 I322 | A314-S318 WeakPolarHBondContact O-CB 3.42Å; A314-S318 PolarHBondContact O-N 2.99Å; L315-S318 PolarHBondContact O-N 3.44Å; V316-S318 VanDerWaalsContact C-N 3.32Å; V316-S318 PolarHBondContact O-N 3.25Å; S318-V320 PolarHBondContact O-N 3.26Å; S318-S321 WeakPolarHBondContact O-CB 3.34Å; S318-S321 PolarHBondContact O-N 2.96Å; S318-I322 WeakPolarHBondContact O-CG1 3.49Å; S318-I322 PolarHBondContact O-N 3.42Å; S318-I322 VanDerWaalsContact O-N 3.07Å |
| 319 | V | 56.2 | Low | 57.6 | Low | 71 Ų | 71 | 77.6 Ų | 77.6 | 43% | 0.43 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 176.9 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | L315 V316 S321 I322 L323 | L315-V319 HydrophobicContact CD2-CG2 4.22Å; L315-V319 WeakPolarHBondContact O-CG2 3.25Å; L315-V319 PolarHBondContact O-N 3.26Å; V316-V319 PolarHBondContact O-N 3.42Å; V319-S321 VanDerWaalsContact C-N 3.34Å; V319-S321 PolarHBondContact O-N 2.98Å; V319-I322 PolarHBondContact O-N 2.97Å; V319-L323 HydrophobicContact CG1-CD1 3.92Å; V319-L323 HydrophobicContact CG1-CG 4.41Å; V319-L323 WeakPolarHBondContact O-CG 3.48Å; V319-L323 PolarHBondContact O-N 3.16Å |
| 320 | V | 58.8 | Low | 57.8 | Low | 62 Ų | 62 | 70.8 Ų | 70.8 | 38% | 0.376 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.8 | -39.7 | 175.7 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | V316 S318 I322 L323 G324 | V316-V320 HydrophobicContact CG1-CG2 4.36Å; V316-V320 WeakPolarHBondContact O-CG2 3.45Å; V316-V320 PolarHBondContact O-N 3.18Å; S318-V320 PolarHBondContact O-N 3.26Å; V320-I322 VanDerWaalsContact C-N 3.35Å; V320-I322 PolarHBondContact O-N 3.26Å; V320-L323 PolarHBondContact O-N 3.45Å; V320-G324 PolarHBondContact O-N 3Å |
| 321 | S | 55.4 | Low | 58.1 | Low | 39 Ų | 39 | 70.3 Ų | 70.3 | 27% | 0.273 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.1 | -39.3 | 175.6 | -167.4 | 0 | 0 | 0 | 0 | 112.4 | L317 S318 V319 G325 | L317-S321 WeakPolarHBondContact O-CB 3.49Å; L317-S321 PolarHBondContact O-N 3.11Å; S318-S321 WeakPolarHBondContact O-CB 3.34Å; S318-S321 PolarHBondContact O-N 2.96Å; V319-S321 VanDerWaalsContact C-N 3.34Å; V319-S321 PolarHBondContact O-N 2.98Å; S321-G325 PolarHBondContact O-N 3.18Å; S321-G325 VanDerWaalsContact O-N 3.11Å |
| 322 | I | 57.6 | Low | 58.5 | Low | 97 Ų | 97 | 69.6 Ų | 69.6 | 50% | 0.497 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -68.2 | -48.5 | 177.9 | -67.8 | 164.7 | 0 | 0 | 0 | 110.6 | S318 V319 V320 G324 G325 I326 | S318-I322 WeakPolarHBondContact O-CG1 3.49Å; S318-I322 PolarHBondContact O-N 3.42Å; S318-I322 VanDerWaalsContact O-N 3.07Å; V319-I322 PolarHBondContact O-N 2.97Å; V320-I322 VanDerWaalsContact C-N 3.35Å; V320-I322 PolarHBondContact O-N 3.26Å; I322-G324 VanDerWaalsContact C-N 3.32Å; I322-G324 PolarHBondContact O-N 3.19Å; I322-G325 PolarHBondContact O-N 2.89Å; I322-I326 HydrophobicContact CG2-CD1 3.82Å; I322-I326 WeakPolarHBondContact O-CG1 3.36Å; I322-I326 PolarHBondContact O-N 3.02Å; I322-I326 VanDerWaalsContact O-N 3.08Å |
| 323 | L | 62.3 | Low | 58.6 | Low | 109 Ų | 109 | 64.7 Ų | 64.7 | 57% | 0.571 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -62.1 | -39.3 | 178 | -68.9 | 172.4 | 0 | 0 | 0 | 112.1 | V319 V320 I326 A327 | V319-L323 HydrophobicContact CG1-CD1 3.92Å; V319-L323 HydrophobicContact CG1-CG 4.41Å; V319-L323 WeakPolarHBondContact O-CG 3.48Å; V319-L323 PolarHBondContact O-N 3.16Å; V320-L323 PolarHBondContact O-N 3.45Å; L323-I326 PolarHBondContact O-N 2.99Å; L323-A327 WeakPolarHBondContact O-CB 3.49Å; L323-A327 PolarHBondContact O-N 3.47Å |
| 324 | G | 64.6 | Low | 59.1 | Low | 16 Ų | 16 | 63 Ų | 63 | 17% | 0.165 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60.5 | -47.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V320 I322 I326 A327 I328 | V320-G324 PolarHBondContact O-N 3Å; I322-G324 VanDerWaalsContact C-N 3.32Å; I322-G324 PolarHBondContact O-N 3.19Å; G324-I326 PolarHBondContact O-N 2.99Å; G324-A327 PolarHBondContact O-N 3.45Å; G324-I328 VanDerWaalsContact O-CG1 3.29Å; G324-I328 WeakPolarHBondContact O-CG1 3.39Å; G324-I328 PolarHBondContact O-N 3.34Å; G324-I328 VanDerWaalsContact O-N 3.17Å |
| 325 | G | 63.3 | Low | 59.7 | Low | 23 Ų | 23 | 69 Ų | 69 | 24% | 0.237 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -59.8 | -45.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | S321 I322 A327 I328 I329 | S321-G325 PolarHBondContact O-N 3.18Å; S321-G325 VanDerWaalsContact O-N 3.11Å; I322-G325 PolarHBondContact O-N 2.89Å; G325-A327 PolarHBondContact O-N 3.11Å; G325-I328 PolarHBondContact O-N 3.01Å; G325-I329 WeakPolarHBondContact O-CG1 3.37Å; G325-I329 PolarHBondContact O-N 3.35Å; G325-I329 VanDerWaalsContact O-N 3.17Å |
| 326 | I | 58.1 | Low | 60.1 | Low | 103 Ų | 103 | 66.9 Ų | 66.9 | 53% | 0.528 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 178.6 | -65.6 | 165.3 | 0 | 0 | 0 | 111.1 | I322 L323 G324 I328 I329 A330 | I322-I326 HydrophobicContact CG2-CD1 3.82Å; I322-I326 WeakPolarHBondContact O-CG1 3.36Å; I322-I326 PolarHBondContact O-N 3.02Å; I322-I326 VanDerWaalsContact O-N 3.08Å; L323-I326 PolarHBondContact O-N 2.99Å; G324-I326 PolarHBondContact O-N 2.99Å; I326-I328 VanDerWaalsContact C-N 3.32Å; I326-I328 PolarHBondContact O-N 3.1Å; I326-I329 PolarHBondContact O-N 3.17Å; I326-A330 WeakPolarHBondContact O-CB 3.33Å; I326-A330 PolarHBondContact O-N 3.49Å |
| 327 | A | 58.9 | Low | 60.5 | Low | 59 Ų | 59 | 71.3 Ų | 71.3 | 49% | 0.488 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.2 | -37.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L323 G324 G325 A331 | L323-A327 WeakPolarHBondContact O-CB 3.49Å; L323-A327 PolarHBondContact O-N 3.47Å; G324-A327 PolarHBondContact O-N 3.45Å; G325-A327 PolarHBondContact O-N 3.11Å; A327-A331 VanDerWaalsContact O-CB 3.29Å; A327-A331 WeakPolarHBondContact O-CB 3.26Å; A327-A331 PolarHBondContact O-N 3.14Å |
| 328 | I | 64.1 | Low | 60.7 | Low | 43 Ų | 43 | 70.7 Ų | 70.7 | 22% | 0.221 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -65.9 | -46 | 176.9 | -66.4 | 168.2 | 0 | 0 | 0 | 111 | V49 L58 L62 G324 G325 I326 A331 A332 | V49-I328 HydrophobicContact CG1-CG2 4.3Å; L58-I328 HydrophobicContact CD1-CD1 4.34Å; L58-I328 HydrophobicContact CD1-CG1 3.75Å; L58-I328 HydrophobicContact CD2-CD1 3.92Å; L58-I328 HydrophobicContact CD2-CG1 3.7Å; L58-I328 HydrophobicContact CD2-CG2 4.21Å; L58-I328 HydrophobicContact CG-CG1 4.29Å; L62-I328 HydrophobicContact CD1-CD1 4.41Å; G324-I328 VanDerWaalsContact O-CG1 3.29Å; G324-I328 WeakPolarHBondContact O-CG1 3.39Å; G324-I328 PolarHBondContact O-N 3.34Å; G324-I328 VanDerWaalsContact O-N 3.17Å; G325-I328 PolarHBondContact O-N 3.01Å; I326-I328 VanDerWaalsContact C-N 3.32Å; I326-I328 PolarHBondContact O-N 3.1Å; I328-A331 PolarHBondContact O-N 3.07Å; I328-A332 WeakPolarHBondContact O-CB 3.43Å; I328-A332 PolarHBondContact O-N 3.03Å |
| 329 | I | 64 | Low | 60.6 | Low | 92 Ų | 92 | 76.7 Ų | 76.7 | 47% | 0.472 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 179.3 | -64 | 164.5 | 0 | 0 | 0 | 110.3 | G325 I326 A331 A332 V333 | G325-I329 WeakPolarHBondContact O-CG1 3.37Å; G325-I329 PolarHBondContact O-N 3.35Å; G325-I329 VanDerWaalsContact O-N 3.17Å; I326-I329 PolarHBondContact O-N 3.17Å; I329-A331 PolarHBondContact O-N 3.16Å; I329-A332 WeakPolarHBondContact O-CB 3.46Å; I329-A332 PolarHBondContact O-N 3.26Å; I329-V333 WeakPolarHBondContact O-CG2 3.48Å; I329-V333 PolarHBondContact O-N 2.89Å; I329-V333 VanDerWaalsContact O-N 3.08Å |
| 330 | A | 59.4 | Low | 60.6 | Low | 59 Ų | 59 | 78.6 Ų | 78.6 | 49% | 0.488 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I326 A332 V333 A334 | I326-A330 WeakPolarHBondContact O-CB 3.33Å; I326-A330 PolarHBondContact O-N 3.49Å; A330-A332 VanDerWaalsContact C-N 3.34Å; A330-A332 PolarHBondContact O-N 3.37Å; A330-V333 PolarHBondContact O-N 3.23Å; A330-A334 WeakPolarHBondContact O-CB 3.49Å; A330-A334 PolarHBondContact O-N 3.06Å |
| 331 | A | 59.3 | Low | 60.5 | Low | 58 Ų | 58 | 82.3 Ų | 82.3 | 48% | 0.479 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.7 | -39.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A327 I328 I329 A334 F335 | A327-A331 VanDerWaalsContact O-CB 3.29Å; A327-A331 WeakPolarHBondContact O-CB 3.26Å; A327-A331 PolarHBondContact O-N 3.14Å; I328-A331 PolarHBondContact O-N 3.07Å; I329-A331 PolarHBondContact O-N 3.16Å; A331-A334 PolarHBondContact O-N 2.98Å; A331-F335 WeakPolarHBondContact O-CB 3.43Å; A331-F335 PolarHBondContact O-N 3.04Å |
| 332 | A | 58.7 | Low | 60.2 | Low | 26 Ų | 26 | 89.5 Ų | 89.5 | 22% | 0.215 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -62.1 | -46.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V49 I328 I329 A330 F335 N336 | V49-A332 HydrophobicContact CG2-CB 3.42Å; V49-A332 VanDerWaalsContact CG2-CB 3.42Å; I328-A332 WeakPolarHBondContact O-CB 3.43Å; I328-A332 PolarHBondContact O-N 3.03Å; I329-A332 WeakPolarHBondContact O-CB 3.46Å; I329-A332 PolarHBondContact O-N 3.26Å; A330-A332 VanDerWaalsContact C-N 3.34Å; A330-A332 PolarHBondContact O-N 3.37Å; A332-F335 PolarHBondContact O-N 3.01Å; A332-N336 WeakPolarHBondContact O-CB 3.45Å; A332-N336 PolarHBondContact O-N 3.35Å |
| 333 | V | 61.1 | Low | 59.7 | Low | 69 Ų | 69 | 92.8 Ų | 92.8 | 42% | 0.418 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 177.2 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | I329 A330 F335 N336 W337 | I329-V333 WeakPolarHBondContact O-CG2 3.48Å; I329-V333 PolarHBondContact O-N 2.89Å; I329-V333 VanDerWaalsContact O-N 3.08Å; A330-V333 PolarHBondContact O-N 3.23Å; V333-F335 PolarHBondContact O-N 3.26Å; V333-N336 PolarHBondContact O-N 3.06Å; V333-W337 PolarHBondContact O-N 3.07Å |
| 334 | A | 63.3 | Low | 59.6 | Low | 66 Ų | 66 | 92 Ų | 92 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | A330 A331 G338 | A330-A334 WeakPolarHBondContact O-CB 3.49Å; A330-A334 PolarHBondContact O-N 3.06Å; A331-A334 PolarHBondContact O-N 2.98Å; A334-G338 PolarHBondContact O-N 2.94Å |
| 335 | F | 65.7 | Low | 59.3 | Low | 151 Ų | 151 | 95.9 Ų | 95.9 | 66% | 0.662 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -71.1 | -31.6 | 177.5 | -132.4 | -80.8 | 0 | 0 | 0 | 112.7 | A331 A332 V333 R339 | A331-F335 WeakPolarHBondContact O-CB 3.43Å; A331-F335 PolarHBondContact O-N 3.04Å; A332-F335 PolarHBondContact O-N 3.01Å; V333-F335 PolarHBondContact O-N 3.26Å; F335-R339 WeakPolarHBondContact O-CB 3.38Å; F335-R339 PolarHBondContact O-N 3.01Å; F335-R339 VanDerWaalsContact O-N 3.11Å |
| 336 | N | 64.5 | Low | 59.1 | Low | 75 Ų | 75 | 100 Ų | 100 | 40% | 0.401 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.6 | -49.4 | 174.6 | -169.3 | 45.9 | 0 | 0 | 0 | 111.2 | A332 V333 R339 I340 | A332-N336 WeakPolarHBondContact O-CB 3.45Å; A332-N336 PolarHBondContact O-N 3.35Å; V333-N336 PolarHBondContact O-N 3.06Å; N336-R339 WeakPolarHBondContact O-CB 3.47Å; N336-R339 PolarHBondContact O-N 2.94Å; N336-I340 PolarHBondContact O-N 3.19Å |
| 337 | W | 62.6 | Low | 59.2 | Low | 169 Ų | 169 | 99.8 Ų | 99.8 | 64% | 0.64 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.5 | -44.2 | 175.6 | -81.1 | 49.7 | 0 | 0 | 0 | 111.9 | V333 R339 I340 L341 | V333-W337 PolarHBondContact O-N 3.07Å; W337-R339 PolarHBondContact O-N 3.24Å; W337-I340 PolarHBondContact O-N 3Å; W337-L341 VanDerWaalsContact O-CD1 3.26Å; W337-L341 WeakPolarHBondContact O-CD1 3.33Å; W337-L341 PolarHBondContact O-N 3.06Å |
| 338 | G | 58.8 | Low | 59.2 | Low | 45 Ų | 45 | 102.4 Ų | 102.4 | 46% | 0.464 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.1 | -15.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A334 | A334-G338 PolarHBondContact O-N 2.94Å |
| 339 | R | 56.4 | Low | 58.9 | Low | 179 Ų | 179 | 106.3 Ų | 106.3 | 68% | 0.675 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -83.7 | -28.8 | 169.3 | -96.8 | -77.4 | 148.1 | 81.3 | -4.9 | 113.3 | F335 N336 W337 | F335-R339 WeakPolarHBondContact O-CB 3.38Å; F335-R339 PolarHBondContact O-N 3.01Å; F335-R339 VanDerWaalsContact O-N 3.11Å; N336-R339 WeakPolarHBondContact O-CB 3.47Å; N336-R339 PolarHBondContact O-N 2.94Å; W337-R339 PolarHBondContact O-N 3.24Å |
| 340 | I | 55.7 | Low | 58.5 | Low | 111 Ų | 111 | 107.4 Ų | 107.4 | 57% | 0.569 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -83.9 | -39.7 | -179.7 | -71.9 | 166.6 | 0 | 0 | 0 | 111.4 | N336 W337 K342 | N336-I340 PolarHBondContact O-N 3.19Å; W337-I340 PolarHBondContact O-N 3Å; I340-K342 PolarHBondContact O-N 2.73Å |
| 341 | L | 55.7 | Low | 58.4 | Low | 140 Ų | 140 | 111.1 Ų | 111.1 | 73% | 0.733 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 10.5 | 175.5 | -80 | 82.8 | 0 | 0 | 0 | 114.3 | W337 | W337-L341 VanDerWaalsContact O-CD1 3.26Å; W337-L341 WeakPolarHBondContact O-CD1 3.33Å; W337-L341 PolarHBondContact O-N 3.06Å |
| 342 | K | 50.1 | Low | 58.4 | Low | 189 Ų | 189 | 115.5 Ų | 115.5 | 82% | 0.822 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.2 | 22.7 | -178.4 | -162.5 | 158.1 | -177.2 | 166.5 | 0 | 112.9 | I340 | I340-K342 PolarHBondContact O-N 2.73Š|
| 343 | S | 47.7 | Very low | 58.3 | Low | 166 Ų | 166 | 123.6 Ų | 123.6 | 100% | 1.161 | 65% | 0.645 | S | S | * | * | trans | -126.5 | 0 | 169.1 | -174 | 0 | 0 | 0 | 0 | 110.2 |
Retrieved 343 of 343 residues in 381.5 ms
(Link to these results)