| 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 | 49.2 | Very low | 57.3 | Low | 238 Ų | 238 | 120 Ų | 120 | 100% | 1.172 | 67% | 0.674 | S | S | * | * | 0 | 139.9 | 0 | -171.4 | -177.9 | -72.8 | 0 | 0 | 107.8 | |||||
| 2 | I | 55.6 | Low | 57.4 | Low | 85 Ų | 85 | 128.8 Ų | 128.8 | 44% | 0.436 | 69% | 0.689 | S | S | . | * | trans | -104.9 | 111.3 | -170 | -60.9 | 177.8 | 0 | 0 | 0 | 110.5 | W4 R5 | I2-W4 VanDerWaalsContact CG2-CD1 3.44Å; I2-W4 HydrophobicContact CG2-CD2 4.03Å; I2-W4 HydrophobicContact CG2-CG 3.92Å; I2-W4 HydrophobicContact CG2-CZ2 4.34Å; I2-W4 PolarHBondContact O-N 3.1Å; I2-R5 HydrophobicContact CB-CG 4.37Å; I2-R5 HydrophobicContact CG2-CG 4.07Å; I2-R5 PolarHBondContact O-N 3.03Å | ||
| 3 | P | 63.5 | Low | 57.3 | Low | 109 Ų | 109 | 132.8 Ų | 132.8 | 71% | 0.708 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -41.5 | -170.5 | -27.1 | 35.8 | 0 | 0 | 0 | 115 | R5 A6 | P3-R5 PolarHBondContact O-N 3.24Å; P3-R5 VanDerWaalsContact O-N 3.11Å; P3-A6 WeakPolarHBondContact O-CB 3.29Å; P3-A6 PolarHBondContact O-N 3.33Å |
| 4 | W | 59.7 | Low | 57.3 | Low | 172 Ų | 172 | 141.1 Ų | 141.1 | 65% | 0.652 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -63.5 | -21.7 | -177 | 63.2 | -105.2 | 0 | 0 | 0 | 113.7 | I2 A6 | I2-W4 VanDerWaalsContact CG2-CD1 3.44Å; I2-W4 HydrophobicContact CG2-CD2 4.03Å; I2-W4 HydrophobicContact CG2-CG 3.92Å; I2-W4 HydrophobicContact CG2-CZ2 4.34Å; I2-W4 PolarHBondContact O-N 3.1Å; W4-A6 VanDerWaalsContact C-N 3.3Å; W4-A6 PolarHBondContact O-N 2.99Å |
| 5 | R | 63.3 | Low | 56.8 | Low | 154 Ų | 154 | 136.3 Ų | 136.3 | 58% | 0.581 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -76.4 | -14.3 | 175.5 | -66.1 | -171.3 | 175.6 | -147.2 | 0.2 | 113.7 | I2 P3 | I2-R5 HydrophobicContact CB-CG 4.37Å; I2-R5 HydrophobicContact CG2-CG 4.07Å; I2-R5 PolarHBondContact O-N 3.03Å; P3-R5 PolarHBondContact O-N 3.24Å; P3-R5 VanDerWaalsContact O-N 3.11Å |
| 6 | A | 57.1 | Low | 56.9 | Low | 67 Ų | 67 | 138.3 Ų | 138.3 | 55% | 0.554 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -82.5 | -46.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | P3 W4 A8 R9 A10 | P3-A6 WeakPolarHBondContact O-CB 3.29Å; P3-A6 PolarHBondContact O-N 3.33Å; W4-A6 VanDerWaalsContact C-N 3.3Å; W4-A6 PolarHBondContact O-N 2.99Å; A6-A8 VanDerWaalsContact C-N 3.31Å; A6-A8 PolarHBondContact O-N 3.49Å; A6-R9 PolarHBondContact O-N 3.05Å; A6-A10 PolarHBondContact O-N 3.36Å |
| 7 | A | 57 | Low | 56.8 | Low | 71 Ų | 71 | 136.3 Ų | 136.3 | 59% | 0.587 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -56.1 | -43 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R9 A10 | A7-R9 PolarHBondContact O-N 2.99Å; A7-R9 VanDerWaalsContact O-N 3.09Å; A7-A10 PolarHBondContact O-N 2.86Å |
| 8 | A | 57.1 | Low | 56.3 | Low | 73 Ų | 73 | 136.6 Ų | 136.6 | 60% | 0.603 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -63.1 | -13.5 | 178 | 0 | 0 | 0 | 0 | 0 | 114.9 | A6 | A6-A8 VanDerWaalsContact C-N 3.31Å; A6-A8 PolarHBondContact O-N 3.49Å |
| 9 | R | 60.3 | Low | 56 | Low | 205 Ų | 205 | 133.4 Ų | 133.4 | 77% | 0.774 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -96.1 | -35.2 | 174.1 | -68.1 | -178.7 | 173.7 | 179.4 | -3.2 | 112.5 | A6 A7 G11 R12 | A6-R9 PolarHBondContact O-N 3.05Å; A7-R9 PolarHBondContact O-N 2.99Å; A7-R9 VanDerWaalsContact O-N 3.09Å; R9-G11 VanDerWaalsContact C-N 3.28Å; R9-G11 PolarHBondContact O-N 3.3Å; R9-R12 PolarHBondContact O-N 3.46Å |
| 10 | A | 53.8 | Low | 55.5 | Low | 76 Ų | 76 | 133.1 Ų | 133.1 | 63% | 0.628 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -60.2 | -36.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A6 A7 R12 Q13 | A6-A10 PolarHBondContact O-N 3.36Å; A7-A10 PolarHBondContact O-N 2.86Å; A10-R12 PolarHBondContact O-N 3.38Å; A10-Q13 PolarHBondContact O-N 2.86Å |
| 11 | G | 53.7 | Low | 55.1 | Low | 70 Ų | 70 | 133.2 Ų | 133.2 | 72% | 0.722 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -9.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | R9 | R9-G11 VanDerWaalsContact C-N 3.28Å; R9-G11 PolarHBondContact O-N 3.3Å |
| 12 | R | 58.6 | Low | 54.9 | Low | 226 Ų | 226 | 127.8 Ų | 127.8 | 85% | 0.853 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | -2.3 | -177.5 | -69.3 | -173.2 | 177.1 | -91.3 | 0.4 | 115.3 | R9 A10 | R9-R12 PolarHBondContact O-N 3.46Å; A10-R12 PolarHBondContact O-N 3.38Å |
| 13 | Q | 55.5 | Low | 54.3 | Low | 180 Ų | 180 | 130 Ų | 130 | 84% | 0.841 | 74% | 0.736 | S | S | * | * | trans | -111.4 | 16.2 | -176.8 | -71.6 | -165.4 | -22.7 | 0 | 0 | 115 | A10 G15 | A10-Q13 PolarHBondContact O-N 2.86Å; Q13-G15 PolarHBondContact O-N 2.9Å | ||
| 14 | R | 57.6 | Low | 53.6 | Low | 249 Ų | 249 | 132.9 Ų | 132.9 | 94% | 0.94 | 75% | 0.745 | S | S | * | * | trans | -83.4 | 56.7 | 172.3 | -150.2 | 173.5 | -164.9 | 177.7 | 3.4 | 111.8 | ||||
| 15 | G | 50.6 | Low | 52.7 | Low | 69 Ų | 69 | 131.8 Ų | 131.8 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -90 | 158.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q13 | Q13-G15 PolarHBondContact O-N 2.9Š|
| 16 | L | 58.5 | Low | 51.9 | Low | 169 Ų | 169 | 128.9 Ų | 128.9 | 89% | 0.885 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 156.7 | -179.8 | -74.5 | 159.9 | 0 | 0 | 0 | 112.6 | ||
| 17 | P | 55.1 | Low | 51.1 | Low | 104 Ų | 104 | 134.3 Ų | 134.3 | 68% | 0.675 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 150 | 178.2 | 27.5 | -35.4 | 0 | 0 | 0 | 112.2 | G19 | P17-G19 PolarHBondContact O-N 3.42Š|
| 18 | P | 47.8 | Very low | 50.8 | Low | 142 Ų | 142 | 139.7 Ų | 139.7 | 92% | 0.922 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | 123.1 | 179.7 | -17.2 | 31 | 0 | 0 | 0 | 111.4 | ||
| 19 | G | 50.2 | Low | 50.5 | Low | 76 Ų | 76 | 139.3 Ų | 139.3 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 161 | -23.8 | 173 | 0 | 0 | 0 | 0 | 0 | 116.6 | P17 | P17-G19 PolarHBondContact O-N 3.42Š|
| 20 | V | 46.7 | Very low | 49.5 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | trans | -107.4 | 104.3 | -177.5 | -174.9 | 0 | 0 | 0 | 0 | 111.1 | V22 | V20-V22 HydrophobicContact CG1-CG2 4Å; V20-V22 PolarHBondContact O-N 3.09Å | ||
| 21 | T | 46.3 | Very low | 49.2 | Very low | 137 Ų | 137 | 134.4 Ų | 134.4 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | trans | -77.7 | 91.5 | 165.9 | 50.4 | 0 | 0 | 0 | 0 | 109.6 | L23 | T21-L23 PolarHBondContact O-N 3.14Š| ||
| 22 | V | 44.5 | Very low | 48.8 | Very low | 123 Ų | 123 | 136 Ų | 136 | 75% | 0.745 | 79% | 0.789 | S | S | * | * | trans | -68.8 | 113.2 | 165 | -178.8 | 0 | 0 | 0 | 0 | 107.6 | V20 | V20-V22 HydrophobicContact CG1-CG2 4Å; V20-V22 PolarHBondContact O-N 3.09Å | ||
| 23 | L | 44.2 | Very low | 48.5 | Very low | 133 Ų | 133 | 131.1 Ų | 131.1 | 70% | 0.696 | 78% | 0.783 | S | S | * | * | trans | -62.5 | 134.4 | 172.9 | -164.5 | 80.6 | 0 | 0 | 0 | 108.7 | T21 Q25 | T21-L23 PolarHBondContact O-N 3.14Å; L23-Q25 VanDerWaalsContact C-N 3.26Å; L23-Q25 HydrophobicContact CD2-CG 4.18Å; L23-Q25 PolarHBondContact O-N 2.8Å | ||
| 24 | N | 47.3 | Very low | 48.7 | Very low | 168 Ų | 168 | 130.9 Ų | 130.9 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | trans | -68.7 | 85 | 172.4 | -78.5 | -50.8 | 0 | 0 | 0 | 110 | ||||
| 25 | Q | 42.1 | Very low | 48.3 | Very low | 149 Ų | 149 | 124.6 Ų | 124.6 | 70% | 0.696 | 77% | 0.772 | S | S | * | * | trans | -86.7 | 123.5 | 162.1 | -65.2 | -169.3 | 14.3 | 0 | 0 | 108.3 | L23 F27 | L23-Q25 VanDerWaalsContact C-N 3.26Å; L23-Q25 HydrophobicContact CD2-CG 4.18Å; L23-Q25 PolarHBondContact O-N 2.8Å; Q25-F27 PolarHBondContact O-N 3.04Å | ||
| 26 | S | 45.5 | Very low | 48.1 | Very low | 94 Ų | 94 | 126.6 Ų | 126.6 | 66% | 0.657 | 77% | 0.77 | S | S | * | * | trans | -60.5 | 126.3 | 170.8 | -173.3 | 0 | 0 | 0 | 0 | 109.1 | E28 | S26-E28 VanDerWaalsContact C-N 3.25Å; S26-E28 PolarHBondContact O-N 2.88Å; S26-E28 WeakPolarHBondContact OG-CB 3.46Å; S26-E28 PolarHBondContact OG-N 3.24Å | ||
| 27 | F | 40.4 | Very low | 48.1 | Very low | 180 Ų | 180 | 124.3 Ų | 124.3 | 79% | 0.789 | 76% | 0.763 | S | S | * | * | trans | -97.4 | 51.1 | 168.4 | -122.6 | -79.7 | 0 | 0 | 0 | 110.8 | Q25 G29 | Q25-F27 PolarHBondContact O-N 3.04Å; F27-G29 PolarHBondContact O-N 3.19Å | ||
| 28 | E | 50.3 | Low | 47.6 | Very low | 184 Ų | 184 | 127.2 Ų | 127.2 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | trans | -73.9 | 76.2 | 171.9 | -176.3 | 167.8 | -160.8 | 0 | 0 | 109.3 | S26 | S26-E28 VanDerWaalsContact C-N 3.25Å; S26-E28 PolarHBondContact O-N 2.88Å; S26-E28 WeakPolarHBondContact OG-CB 3.46Å; S26-E28 PolarHBondContact OG-N 3.24Å | ||
| 29 | G | 52.2 | Low | 47.7 | Very low | 65 Ų | 65 | 125.2 Ų | 125.2 | 67% | 0.67 | 76% | 0.757 | S | S | * | * | trans | 152.3 | 63 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | F27 | F27-G29 PolarHBondContact O-N 3.19Š| ||
| 30 | A | 39.6 | Very low | 47 | Very low | 85 Ų | 85 | 129.3 Ų | 129.3 | 70% | 0.702 | 76% | 0.761 | S | S | * | * | trans | -133.1 | 125.3 | 161.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 31 | A | 47.5 | Very low | 46.8 | Very low | 94 Ų | 94 | 128.7 Ų | 128.7 | 78% | 0.777 | 76% | 0.762 | S | S | * | * | trans | -68.2 | 140.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V33 | A31-V33 PolarHBondContact O-N 3.08Š| ||
| 32 | A | 45 | Very low | 46.4 | Very low | 103 Ų | 103 | 131.8 Ų | 131.8 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | trans | -69.1 | 113.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | E34 | A32-E34 PolarHBondContact O-N 3.33Š| ||
| 33 | V | 52.7 | Low | 45.8 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 75% | 0.745 | 77% | 0.769 | S | S | * | * | trans | -84.8 | 107 | 167.4 | 177.5 | 0 | 0 | 0 | 0 | 107.2 | A31 V35 | A31-V33 PolarHBondContact O-N 3.08Å; V33-V35 HydrophobicContact CG1-CG2 4.31Å; V33-V35 PolarHBondContact O-N 3.07Å | ||
| 34 | E | 58.4 | Low | 45.4 | Very low | 176 Ų | 176 | 132.8 Ų | 132.8 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | -64.9 | 131.4 | 163.4 | -75.1 | -171.1 | 105.9 | 0 | 0 | 109.1 | A32 | A32-E34 PolarHBondContact O-N 3.33Š| ||
| 35 | V | 50.3 | Low | 45.2 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 71% | 0.709 | 78% | 0.779 | S | S | * | * | trans | -110.5 | 92.5 | 170.6 | -179.1 | 0 | 0 | 0 | 0 | 106.9 | V33 V37 | V33-V35 HydrophobicContact CG1-CG2 4.31Å; V33-V35 PolarHBondContact O-N 3.07Å; V35-V37 HydrophobicContact CG1-CG2 4.44Å; V35-V37 PolarHBondContact O-N 3.35Å | ||
| 36 | T | 45.6 | Very low | 45.1 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | trans | -67.2 | 108.9 | 169.8 | 43.1 | 0 | 0 | 0 | 0 | 108.9 | E38 | T36-E38 VanDerWaalsContact C-N 3.31Å; T36-E38 PolarHBondContact O-N 3.14Å; T36-E38 VanDerWaalsContact O-N 3.08Å | ||
| 37 | V | 57.7 | Low | 45 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 74% | 0.739 | 79% | 0.786 | S | S | * | * | trans | -82.3 | 82.3 | 173.5 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | V35 | V35-V37 HydrophobicContact CG1-CG2 4.44Å; V35-V37 PolarHBondContact O-N 3.35Å | ||
| 38 | E | 45 | Very low | 45.3 | Very low | 164 Ų | 164 | 130.7 Ų | 130.7 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | trans | -65.2 | 139.4 | 162.7 | 60.6 | -151.6 | 148.4 | 0 | 0 | 109.7 | T36 | T36-E38 VanDerWaalsContact C-N 3.31Å; T36-E38 PolarHBondContact O-N 3.14Å; T36-E38 VanDerWaalsContact O-N 3.08Å | ||
| 39 | S | 49.7 | Very low | 45 | Very low | 100 Ų | 100 | 130.8 Ų | 130.8 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | trans | -129 | 70.1 | -168.1 | -64.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 40 | D | 36.2 | Very low | 44.8 | Very low | 162 Ų | 162 | 136.2 Ų | 136.2 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | trans | -79.7 | 122.3 | 169.4 | -75.2 | -30.2 | 0 | 0 | 0 | 110.2 | ||||
| 41 | S | 42 | Very low | 44.9 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -155.8 | 67.8 | -176.2 | 174 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 42 | E | 37.7 | Very low | 45 | Very low | 202 Ų | 202 | 139 Ų | 139 | 94% | 0.944 | 79% | 0.793 | S | S | * | * | trans | -140.5 | 135.7 | 150.8 | -121.1 | 163.2 | -163.8 | 0 | 0 | 108.5 | ||||
| 43 | G | 32.6 | Very low | 45 | Very low | 77 Ų | 77 | 139.4 Ų | 139.4 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -130.8 | 118.8 | -174 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 44 | E | 35.3 | Very low | 44.8 | Very low | 200 Ų | 200 | 142.5 Ų | 142.5 | 94% | 0.935 | 79% | 0.791 | S | S | * | * | trans | -104 | 158.7 | 167.5 | -64.8 | -159.1 | 135.9 | 0 | 0 | 110.5 | ||||
| 45 | D | 44 | Very low | 44.2 | Very low | 161 Ų | 161 | 139.9 Ų | 139.9 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | -84.3 | 126.4 | -166.4 | -159.4 | 6.7 | 0 | 0 | 0 | 110.8 | ||||
| 46 | S | 39.8 | Very low | 43.5 | Very low | 102 Ų | 102 | 137.1 Ų | 137.1 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | trans | -149.5 | 112.7 | 169.6 | -91.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 47 | E | 43.3 | Very low | 43.5 | Very low | 170 Ų | 170 | 140.7 Ų | 140.7 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | -25.2 | 128 | 160.7 | 55.8 | -136.6 | 126.5 | 0 | 0 | 118.3 | ||||
| 48 | S | 45.5 | Very low | 42.8 | Very low | 115 Ų | 115 | 141.4 Ų | 141.4 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | 8.7 | 115.8 | 148.4 | 56 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 49 | E | 45 | Very low | 42.9 | Very low | 185 Ų | 185 | 138.7 Ų | 138.7 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -138.9 | 135.6 | 150.4 | -163.7 | 138.4 | -143.3 | 0 | 0 | 111.8 | V51 | E49-V51 PolarHBondContact O-N 3.45Š| ||
| 50 | E | 47.3 | Very low | 42.4 | Very low | 179 Ų | 179 | 139.5 Ų | 139.5 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | trans | -88.7 | 80.1 | -167.9 | -170.5 | 179.3 | 177.2 | 0 | 0 | 111.9 | V52 | E50-V52 PolarHBondContact O-N 2.88Å; E50-V52 VanDerWaalsContact O-N 3.08Å | ||
| 51 | V | 42.4 | Very low | 43.4 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 72% | 0.721 | 80% | 0.798 | S | S | * | * | trans | -78.2 | 95.4 | 178.4 | -171.3 | 0 | 0 | 0 | 0 | 111 | E49 V53 | E49-V51 PolarHBondContact O-N 3.45Å; V51-V53 HydrophobicContact CG1-CG2 3.93Å; V51-V53 PolarHBondContact O-N 3.06Å | ||
| 52 | V | 48.8 | Very low | 43.6 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -68.8 | 96.8 | 171.9 | -180 | 0 | 0 | 0 | 0 | 110.3 | E50 E54 | E50-V52 PolarHBondContact O-N 2.88Å; E50-V52 VanDerWaalsContact O-N 3.08Å; V52-E54 PolarHBondContact O-N 3.09Å | ||
| 53 | V | 46.2 | Very low | 43.8 | Very low | 111 Ų | 111 | 132 Ų | 132 | 67% | 0.673 | 78% | 0.78 | S | S | * | * | trans | -87.5 | 92 | 174.6 | 178.6 | 0 | 0 | 0 | 0 | 110 | V51 V55 | V51-V53 HydrophobicContact CG1-CG2 3.93Å; V51-V53 PolarHBondContact O-N 3.06Å; V53-V55 HydrophobicContact CG1-CG2 3.78Å; V53-V55 PolarHBondContact O-N 3.34Å; V53-V55 VanDerWaalsContact O-N 3.09Å | ||
| 54 | E | 47.6 | Very low | 44.8 | Very low | 187 Ų | 187 | 133.3 Ų | 133.3 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -73 | 94.2 | 173.4 | -172.9 | 177.9 | -160.5 | 0 | 0 | 110.8 | V52 | V52-E54 PolarHBondContact O-N 3.09Š| ||
| 55 | V | 46 | Very low | 45.7 | Very low | 121 Ų | 121 | 130.1 Ų | 130.1 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | trans | -100.9 | 122.9 | 172.9 | 163.8 | 0 | 0 | 0 | 0 | 110.4 | V53 | V53-V55 HydrophobicContact CG1-CG2 3.78Å; V53-V55 PolarHBondContact O-N 3.34Å; V53-V55 VanDerWaalsContact O-N 3.09Å | ||
| 56 | G | 35.4 | Very low | 46.4 | Very low | 60 Ų | 60 | 127.9 Ų | 127.9 | 62% | 0.619 | 77% | 0.766 | S | S | * | * | trans | -64.7 | 144.8 | -167 | 0 | 0 | 0 | 0 | 0 | 115.6 | T58 | G56-T58 PolarHBondContact O-N 3.26Š| ||
| 57 | Q | 46.3 | Very low | 47.8 | Very low | 184 Ų | 184 | 134.4 Ų | 134.4 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | -72.8 | 91.3 | -179.8 | -64.4 | 178.3 | -7 | 0 | 0 | 112.6 | S59 | Q57-S59 PolarHBondContact O-N 2.92Š| ||
| 58 | T | 41.8 | Very low | 49.5 | Very low | 138 Ų | 138 | 131 Ų | 131 | 85% | 0.847 | 76% | 0.761 | S | S | * | * | trans | -90.9 | 76.9 | 164 | 46.5 | 0 | 0 | 0 | 0 | 110.4 | G56 S60 | G56-T58 PolarHBondContact O-N 3.26Å; T58-S60 PolarHBondContact O-N 2.86Å | ||
| 59 | S | 47.1 | Very low | 51.6 | Low | 106 Ų | 106 | 129.9 Ų | 129.9 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | trans | -61.6 | 86.8 | -174.2 | -56.9 | 0 | 0 | 0 | 0 | 114 | Q57 | Q57-S59 PolarHBondContact O-N 2.92Š| ||
| 60 | S | 40.8 | Very low | 53.8 | Low | 118 Ų | 118 | 123.1 Ų | 123.1 | 83% | 0.825 | 73% | 0.73 | S | S | * | * | trans | -69.1 | 134.3 | 170.9 | -168.7 | 0 | 0 | 0 | 0 | 111.1 | T58 L62 | T58-S60 PolarHBondContact O-N 2.86Å; S60-L62 PolarHBondContact O-N 2.94Å | ||
| 61 | S | 56.1 | Low | 55.9 | Low | 115 Ų | 115 | 122.1 Ų | 122.1 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | trans | -79.4 | 81.2 | -166.1 | 172.4 | 0 | 0 | 0 | 0 | 113.7 | G63 | S61-G63 PolarHBondContact O-N 2.71Š| ||
| 62 | L | 45.8 | Very low | 58.4 | Low | 145 Ų | 145 | 120.6 Ų | 120.6 | 76% | 0.759 | 71% | 0.71 | S | S | * | * | trans | -89.7 | 85.6 | 165.7 | -152.9 | 77.8 | 0 | 0 | 0 | 111.2 | S60 A64 | S60-L62 PolarHBondContact O-N 2.94Å; L62-A64 PolarHBondContact O-N 2.73Å | ||
| 63 | G | 43.1 | Very low | 60.6 | Low | 58 Ų | 58 | 121.1 Ų | 121.1 | 60% | 0.598 | 70% | 0.7 | S | S | * | * | trans | -74.4 | 112.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | S61 T65 | S61-G63 PolarHBondContact O-N 2.71Å; G63-T65 PolarHBondContact O-N 3.25Å | ||
| 64 | A | 53.6 | Low | 63 | Low | 105 Ų | 105 | 120.2 Ų | 120.2 | 87% | 0.868 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 70 | 10.2 | 147.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | L62 | L62-A64 PolarHBondContact O-N 2.73Š|
| 65 | T | 52.9 | Low | 65.4 | Low | 134 Ų | 134 | 117.5 Ų | 117.5 | 82% | 0.822 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -116 | 1.8 | 174.5 | 55.4 | 0 | 0 | 0 | 0 | 116 | G63 | G63-T65 PolarHBondContact O-N 3.25Š|
| 66 | D | 59.5 | Low | 67.8 | Low | 113 Ų | 113 | 115.8 Ų | 115.8 | 60% | 0.604 | 66% | 0.659 | S | S | * | * | trans | -123 | 63.4 | -176.5 | -163.7 | 19.4 | 0 | 0 | 0 | 112.9 | ||||
| 67 | R | 70.1 | Confident | 70.8 | Confident | 239 Ų | 239 | 116.1 Ų | 116.1 | 90% | 0.902 | 65% | 0.645 | S | S | * | * | trans | -111.9 | 88.6 | 167.6 | -77.7 | -171 | 172.4 | -168.7 | -2.3 | 109.4 | T69 | R67-T69 PolarHBondContact O-N 3.34Š| ||
| 68 | I | 77.8 | Confident | 73.2 | Confident | 99 Ų | 99 | 113.3 Ų | 113.3 | 51% | 0.508 | 63% | 0.633 | S | S | . | * | trans | -58 | 107.4 | 175 | -57.2 | 178.2 | 0 | 0 | 0 | 109.3 | Q72 | I68-Q72 HydrophobicContact CG2-CB 3.78Š| ||
| 69 | T | 90.1 | Very high | 75.9 | Confident | 91 Ų | 91 | 110.5 Ų | 110.5 | 56% | 0.558 | 61% | 0.61 | S | S | * | * | trans | -60.8 | 147.3 | 172.6 | -40.3 | 0 | 0 | 0 | 0 | 110 | R67 Q71 Q72 Y73 | R67-T69 PolarHBondContact O-N 3.34Å; T69-Q71 PolarHBondContact O-N 3.09Å; T69-Q71 VanDerWaalsContact O-N 3.1Å; T69-Q72 WeakPolarHBondContact O-CA 3.47Å; T69-Q72 WeakPolarHBondContact O-CB 3.36Å; T69-Q72 PolarHBondContact O-N 2.78Å; T69-Y73 PolarHBondContact O-N 2.91Å; T69-Y73 VanDerWaalsContact O-N 3.14Å | ||
| 70 | G | 91.3 | Very high | 78.4 | Confident | 44 Ų | 44 | 109.1 Ų | 109.1 | 45% | 0.454 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -48 | -43.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q72 Y73 D74 | G70-Q72 VanDerWaalsContact C-N 3.28Å; G70-Q72 PolarHBondContact O-N 3.37Å; G70-Y73 WeakPolarHBondContact O-CA 3.43Å; G70-Y73 WeakPolarHBondContact O-CB 3.42Å; G70-Y73 PolarHBondContact O-N 3.03Å; G70-D74 VanDerWaalsContact O-CG 3.31Å; G70-D74 PolarHBondContact O-N 2.8Å |
| 71 | Q | 92 | Very high | 81.1 | Confident | 157 Ų | 157 | 108.4 Ų | 108.4 | 73% | 0.734 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -59.2 | -32.3 | 175.3 | -66.7 | 178.3 | -13.7 | 0 | 0 | 114.4 | T69 R75 | T69-Q71 PolarHBondContact O-N 3.09Å; T69-Q71 VanDerWaalsContact O-N 3.1Å; Q71-R75 WeakPolarHBondContact O-CB 3.38Å; Q71-R75 PolarHBondContact O-N 3.14Å; Q71-R75 VanDerWaalsContact O-N 3.09Å |
| 72 | Q | 94.8 | Very high | 83.1 | Confident | 88 Ų | 88 | 109.4 Ų | 109.4 | 41% | 0.411 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -75.6 | -37.2 | 174.9 | -60.4 | -64.7 | -13.1 | 0 | 0 | 110.7 | I68 T69 G70 R75 I76 | I68-Q72 HydrophobicContact CG2-CB 3.78Å; T69-Q72 WeakPolarHBondContact O-CA 3.47Å; T69-Q72 WeakPolarHBondContact O-CB 3.36Å; T69-Q72 PolarHBondContact O-N 2.78Å; G70-Q72 VanDerWaalsContact C-N 3.28Å; G70-Q72 PolarHBondContact O-N 3.37Å; Q72-R75 PolarHBondContact O-N 3.04Å; Q72-I76 WeakPolarHBondContact O-CB 3.47Å; Q72-I76 WeakPolarHBondContact O-CD1 3.21Å; Q72-I76 WeakPolarHBondContact O-CG1 3.35Å; Q72-I76 PolarHBondContact O-N 3.32Å |
| 73 | Y | 95.4 | Very high | 85.6 | Confident | 131 Ų | 131 | 106.7 Ų | 106.7 | 51% | 0.514 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.7 | -45.8 | 172.8 | 178.7 | -92.5 | 0 | 0 | 0 | 111.6 | T69 G70 R75 I76 Q77 | T69-Y73 PolarHBondContact O-N 2.91Å; T69-Y73 VanDerWaalsContact O-N 3.14Å; G70-Y73 WeakPolarHBondContact O-CA 3.43Å; G70-Y73 WeakPolarHBondContact O-CB 3.42Å; G70-Y73 PolarHBondContact O-N 3.03Å; Y73-R75 VanDerWaalsContact C-N 3.34Å; Y73-R75 PolarHBondContact O-N 3.34Å; Y73-I76 PolarHBondContact O-N 3.5Å; Y73-Q77 HydrophobicContact CD1-CG 4.36Å; Y73-Q77 HydrophobicContact CE1-CG 3.92Å; Y73-Q77 VanDerWaalsContact CE1-NE2 3.26Å; Y73-Q77 PolarHBondContact O-N 3.04Å; Y73-Q77 PolarHBondContact OH-NE2 2.98Å |
| 74 | D | 95.9 | Very high | 88.3 | Confident | 92 Ų | 92 | 112.1 Ų | 112.1 | 49% | 0.492 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61 | -42.8 | 176 | -64.4 | -35.3 | 0 | 0 | 0 | 111.6 | G70 Q77 M78 | G70-D74 VanDerWaalsContact O-CG 3.31Å; G70-D74 PolarHBondContact O-N 2.8Å; D74-Q77 WeakPolarHBondContact O-CB 3.43Å; D74-Q77 PolarHBondContact O-N 3.34Å; D74-M78 WeakPolarHBondContact O-CG 3.42Å; D74-M78 PolarHBondContact O-N 3.49Å |
| 75 | R | 97.1 | Very high | 90.4 | Very high | 129 Ų | 129 | 113.1 Ų | 113.1 | 49% | 0.487 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.5 | -50.1 | 174.2 | 179.8 | -177.6 | 167.4 | -144.3 | -14.4 | 111.8 | Q71 Q72 Y73 Q77 M78 E79 | Q71-R75 WeakPolarHBondContact O-CB 3.38Å; Q71-R75 PolarHBondContact O-N 3.14Å; Q71-R75 VanDerWaalsContact O-N 3.09Å; Q72-R75 PolarHBondContact O-N 3.04Å; Y73-R75 VanDerWaalsContact C-N 3.34Å; Y73-R75 PolarHBondContact O-N 3.34Å; R75-Q77 VanDerWaalsContact C-N 3.28Å; R75-Q77 PolarHBondContact O-N 2.83Å; R75-M78 PolarHBondContact O-N 2.9Å; R75-E79 IonicContact CZ-OE1 3.33Å; R75-E79 IonicContact NE-OE1 2.74Å; R75-E79 PolarHBondContact NE-OE1 3.19Å; R75-E79 IonicContact NH2-OE1 3.49Å; R75-E79 PolarHBondContact NH2-OE1 3.03Å; R75-E79 IonicContact NH2-OE2 3.5Å; R75-E79 PolarHBondContact O-N 2.88Å |
| 76 | I | 97 | Very high | 92.6 | Very high | 86 Ų | 86 | 110.4 Ų | 110.4 | 44% | 0.441 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.4 | -38.2 | 178.5 | -69.6 | 163 | 0 | 0 | 0 | 110.6 | Q72 Y73 M78 L80 | Q72-I76 WeakPolarHBondContact O-CB 3.47Å; Q72-I76 WeakPolarHBondContact O-CD1 3.21Å; Q72-I76 WeakPolarHBondContact O-CG1 3.35Å; Q72-I76 PolarHBondContact O-N 3.32Å; Y73-I76 PolarHBondContact O-N 3.5Å; I76-M78 PolarHBondContact O-N 2.86Å; I76-L80 WeakPolarHBondContact O-CB 3.49Å; I76-L80 PolarHBondContact O-N 2.82Å |
| 77 | Q | 97.8 | Very high | 94.5 | Very high | 67 Ų | 67 | 108.9 Ų | 108.9 | 31% | 0.313 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.4 | -40.1 | 172 | -86.4 | -141.5 | 16.1 | 0 | 0 | 112.9 | Y73 D74 R75 K81 | Y73-Q77 HydrophobicContact CD1-CG 4.36Å; Y73-Q77 HydrophobicContact CE1-CG 3.92Å; Y73-Q77 VanDerWaalsContact CE1-NE2 3.26Å; Y73-Q77 PolarHBondContact O-N 3.04Å; Y73-Q77 PolarHBondContact OH-NE2 2.98Å; D74-Q77 WeakPolarHBondContact O-CB 3.43Å; D74-Q77 PolarHBondContact O-N 3.34Å; R75-Q77 VanDerWaalsContact C-N 3.28Å; R75-Q77 PolarHBondContact O-N 2.83Å; Q77-K81 VanDerWaalsContact O-CD 3.29Å; Q77-K81 WeakPolarHBondContact O-CD 3.43Å; Q77-K81 WeakPolarHBondContact O-CG 3.18Å; Q77-K81 PolarHBondContact O-N 3.46Å; Q77-K81 VanDerWaalsContact O-N 3.09Å |
| 78 | M | 98 | Very high | 95.8 | Very high | 125 Ų | 125 | 99.6 Ų | 99.6 | 62% | 0.616 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.1 | -48.1 | 176.7 | -71.3 | -168.7 | -63.9 | 0 | 0 | 111.7 | D74 R75 I76 L80 K81 E82 | D74-M78 WeakPolarHBondContact O-CG 3.42Å; D74-M78 PolarHBondContact O-N 3.49Å; R75-M78 PolarHBondContact O-N 2.9Å; I76-M78 PolarHBondContact O-N 2.86Å; M78-L80 VanDerWaalsContact C-N 3.28Å; M78-L80 PolarHBondContact O-N 3.45Å; M78-K81 WeakPolarHBondContact O-CB 3.34Å; M78-K81 PolarHBondContact O-N 3.4Å; M78-E82 PolarHBondContact O-N 3.16Å |
| 79 | E | 98.2 | Very high | 96.8 | Very high | 79 Ų | 79 | 97 Ų | 97 | 37% | 0.369 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.4 | -37.5 | 177.6 | -69.3 | 177.2 | 179.2 | 0 | 0 | 111.5 | R75 E82 C83 | R75-E79 IonicContact CZ-OE1 3.33Å; R75-E79 IonicContact NE-OE1 2.74Å; R75-E79 PolarHBondContact NE-OE1 3.19Å; R75-E79 IonicContact NH2-OE1 3.49Å; R75-E79 PolarHBondContact NH2-OE1 3.03Å; R75-E79 IonicContact NH2-OE2 3.5Å; R75-E79 PolarHBondContact O-N 2.88Å; E79-E82 PolarHBondContact O-N 2.47Å; E79-C83 WeakPolarHBondContact O-CB 3.19Å; E79-C83 PolarHBondContact O-N 3.32Å; E79-C83 PolarHBondContact O-SG 3.47Å |
| 80 | L | 98.4 | Very high | 97.3 | Very high | 76 Ų | 76 | 96.7 Ų | 96.7 | 40% | 0.398 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.7 | -37.4 | 173.4 | 174.9 | 149.1 | 0 | 0 | 0 | 113 | I76 M78 R84 | I76-L80 WeakPolarHBondContact O-CB 3.49Å; I76-L80 PolarHBondContact O-N 2.82Å; M78-L80 VanDerWaalsContact C-N 3.28Å; M78-L80 PolarHBondContact O-N 3.45Å; L80-R84 VanDerWaalsContact O-CG 3.32Å; L80-R84 WeakPolarHBondContact O-CG 3.32Å; L80-R84 PolarHBondContact O-N 3.03Å; L80-R84 VanDerWaalsContact O-N 3.14Å |
| 81 | K | 98.6 | Very high | 97.6 | Very high | 103 Ų | 103 | 101.6 Ų | 101.6 | 45% | 0.448 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.4 | -42.3 | 174.5 | -71.7 | 160.5 | -165.9 | 167.5 | 0 | 110.8 | Q77 M78 R84 L85 | Q77-K81 VanDerWaalsContact O-CD 3.29Å; Q77-K81 WeakPolarHBondContact O-CD 3.43Å; Q77-K81 WeakPolarHBondContact O-CG 3.18Å; Q77-K81 PolarHBondContact O-N 3.46Å; Q77-K81 VanDerWaalsContact O-N 3.09Å; M78-K81 WeakPolarHBondContact O-CB 3.34Å; M78-K81 PolarHBondContact O-N 3.4Å; K81-R84 PolarHBondContact O-N 2.91Å; K81-L85 WeakPolarHBondContact O-CG 3.41Å; K81-L85 PolarHBondContact O-N 3.3Å |
| 82 | E | 98.4 | Very high | 97.9 | Very high | 137 Ų | 137 | 100.7 Ų | 100.7 | 64% | 0.64 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.9 | -47.5 | 174.4 | -176.2 | 173.9 | -164 | 0 | 0 | 111.7 | M78 E79 R84 L85 S86 | M78-E82 PolarHBondContact O-N 3.16Å; E79-E82 PolarHBondContact O-N 2.47Å; E82-R84 VanDerWaalsContact C-N 3.3Å; E82-R84 PolarHBondContact O-N 3.11Å; E82-L85 PolarHBondContact O-N 3.24Å; E82-L85 VanDerWaalsContact O-N 3.14Å; E82-S86 VanDerWaalsContact O-CB 3.31Å; E82-S86 WeakPolarHBondContact O-CB 3.31Å; E82-S86 PolarHBondContact O-N 3.03Å |
| 83 | C | 98.4 | Very high | 98.1 | Very high | 87 Ų | 87 | 99.1 Ų | 99.1 | 59% | 0.588 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -57.3 | -40.4 | 175.8 | -77.7 | 0 | 0 | 0 | 0 | 112.6 | E79 S86 L87 | E79-C83 WeakPolarHBondContact O-CB 3.19Å; E79-C83 PolarHBondContact O-N 3.32Å; E79-C83 PolarHBondContact O-SG 3.47Å; C83-S86 PolarHBondContact O-N 3.49Å; C83-L87 VanDerWaalsContact O-CB 3.28Å; C83-L87 WeakPolarHBondContact O-CB 3.34Å; C83-L87 PolarHBondContact O-N 3.02Å |
| 84 | R | 98.6 | Very high | 98.3 | Very high | 172 Ų | 172 | 99.2 Ų | 99.2 | 65% | 0.649 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65 | -43.4 | 175.2 | -74 | 171.8 | 176.5 | -174.1 | -1.1 | 112.2 | L80 K81 E82 A88 | L80-R84 VanDerWaalsContact O-CG 3.32Å; L80-R84 WeakPolarHBondContact O-CG 3.32Å; L80-R84 PolarHBondContact O-N 3.03Å; L80-R84 VanDerWaalsContact O-N 3.14Å; K81-R84 PolarHBondContact O-N 2.91Å; E82-R84 VanDerWaalsContact C-N 3.3Å; E82-R84 PolarHBondContact O-N 3.11Å; R84-A88 WeakPolarHBondContact O-CB 3.49Å; R84-A88 PolarHBondContact O-N 3.28Å |
| 85 | L | 98.7 | Very high | 98.4 | Very high | 127 Ų | 127 | 99.9 Ų | 99.9 | 67% | 0.665 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.3 | -41 | 176.3 | -70.5 | 171.2 | 0 | 0 | 0 | 112.2 | K81 E82 A88 A89 | K81-L85 WeakPolarHBondContact O-CG 3.41Å; K81-L85 PolarHBondContact O-N 3.3Å; E82-L85 PolarHBondContact O-N 3.24Å; E82-L85 VanDerWaalsContact O-N 3.14Å; L85-A88 PolarHBondContact O-N 3.46Å; L85-A89 PolarHBondContact O-N 2.97Å |
| 86 | S | 98.6 | Very high | 98.5 | Very high | 76 Ų | 76 | 101.1 Ų | 101.1 | 53% | 0.531 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65 | -46.1 | 177.6 | -172.4 | 0 | 0 | 0 | 0 | 111.6 | E82 C83 A88 A89 E90 | E82-S86 VanDerWaalsContact O-CB 3.31Å; E82-S86 WeakPolarHBondContact O-CB 3.31Å; E82-S86 PolarHBondContact O-N 3.03Å; C83-S86 PolarHBondContact O-N 3.49Å; S86-A88 VanDerWaalsContact C-N 3.33Å; S86-A88 PolarHBondContact O-N 2.95Å; S86-A89 CarbonylContact O-C 3.54Å; S86-A89 WeakPolarHBondContact O-CA 3.46Å; S86-A89 WeakPolarHBondContact O-CB 3.33Å; S86-A89 PolarHBondContact O-N 2.8Å; S86-E90 PolarHBondContact O-N 3.15Å |
| 87 | L | 98.8 | Very high | 98.6 | Very high | 82 Ų | 82 | 99.9 Ų | 99.9 | 43% | 0.429 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.1 | -40.7 | 172.9 | 179.5 | 61.6 | 0 | 0 | 0 | 112.1 | C83 A89 E90 R91 | C83-L87 VanDerWaalsContact O-CB 3.28Å; C83-L87 WeakPolarHBondContact O-CB 3.34Å; C83-L87 PolarHBondContact O-N 3.02Å; L87-A89 VanDerWaalsContact C-N 3.3Å; L87-A89 PolarHBondContact O-N 3.5Å; L87-E90 PolarHBondContact O-N 3.36Å; L87-R91 HydrophobicContact CD1-CG 4.38Å; L87-R91 WeakPolarHBondContact O-CG 3.37Å; L87-R91 PolarHBondContact O-N 3.07Å |
| 88 | A | 98.8 | Very high | 98.6 | Very high | 43 Ų | 43 | 99.8 Ų | 99.8 | 36% | 0.355 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.2 | -30.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R84 L85 S86 R92 | R84-A88 WeakPolarHBondContact O-CB 3.49Å; R84-A88 PolarHBondContact O-N 3.28Å; L85-A88 PolarHBondContact O-N 3.46Å; S86-A88 VanDerWaalsContact C-N 3.33Å; S86-A88 PolarHBondContact O-N 2.95Å; A88-R92 WeakPolarHBondContact O-CG 3.31Å; A88-R92 PolarHBondContact O-N 3.27Å; A88-R92 PolarHBondContact O-NE 3.18Å |
| 89 | A | 98.7 | Very high | 98.6 | Very high | 45 Ų | 45 | 97.6 Ų | 97.6 | 37% | 0.372 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -72.9 | -44.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L85 S86 L87 R92 A93 | L85-A89 PolarHBondContact O-N 2.97Å; S86-A89 CarbonylContact O-C 3.54Å; S86-A89 WeakPolarHBondContact O-CA 3.46Å; S86-A89 WeakPolarHBondContact O-CB 3.33Å; S86-A89 PolarHBondContact O-N 2.8Å; L87-A89 VanDerWaalsContact C-N 3.3Å; L87-A89 PolarHBondContact O-N 3.5Å; A89-R92 PolarHBondContact O-N 3.41Å; A89-A93 WeakPolarHBondContact O-CB 3.34Å; A89-A93 PolarHBondContact O-N 3.46Å |
| 90 | E | 98.7 | Very high | 98.7 | Very high | 84 Ų | 84 | 102 Ų | 102 | 39% | 0.393 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -55.5 | -55.1 | 174.5 | -178.8 | -76.5 | 140.1 | 0 | 0 | 110.8 | S86 L87 R92 A93 R94 | S86-E90 PolarHBondContact O-N 3.15Å; L87-E90 PolarHBondContact O-N 3.36Å; E90-R92 PolarHBondContact O-N 3.48Å; E90-A93 CarbonylContact O-C 3.42Å; E90-A93 WeakPolarHBondContact O-CA 3.38Å; E90-A93 WeakPolarHBondContact O-CB 3.39Å; E90-A93 PolarHBondContact O-N 3.33Å; E90-R94 PolarHBondContact O-N 2.74Å; E90-R94 WeakPolarHBondContact OE1-CD 3.28Å |
| 91 | R | 98.8 | Very high | 98.7 | Very high | 147 Ų | 147 | 103.2 Ų | 103.2 | 56% | 0.555 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -56.4 | -40.1 | -178.9 | -70 | 173.9 | 177.1 | -169.1 | -2.8 | 112.1 | L87 R94 L95 | L87-R91 HydrophobicContact CD1-CG 4.38Å; L87-R91 WeakPolarHBondContact O-CG 3.37Å; L87-R91 PolarHBondContact O-N 3.07Å; R91-R94 PolarHBondContact O-N 3.06Å; R91-L95 WeakPolarHBondContact O-CG 3.48Å; R91-L95 PolarHBondContact O-N 2.87Å |
| 92 | R | 98.8 | Very high | 98.7 | Very high | 138 Ų | 138 | 104.6 Ų | 104.6 | 52% | 0.521 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -71.8 | -28.3 | 174.6 | -71.5 | 177.9 | -66.4 | 158.7 | 0.5 | 113.2 | A88 A89 E90 R96 | A88-R92 WeakPolarHBondContact O-CG 3.31Å; A88-R92 PolarHBondContact O-N 3.27Å; A88-R92 PolarHBondContact O-NE 3.18Å; A89-R92 PolarHBondContact O-N 3.41Å; E90-R92 PolarHBondContact O-N 3.48Å; R92-R96 VanDerWaalsContact C-NH1 3.34Å; R92-R96 VanDerWaalsContact O-CG 3.31Å; R92-R96 WeakPolarHBondContact O-CG 3.41Å; R92-R96 PolarHBondContact O-N 2.81Å; R92-R96 PolarHBondContact O-NH1 3.42Å |
| 93 | A | 98.8 | Very high | 98.7 | Very high | 55 Ų | 55 | 104 Ų | 104 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -73.1 | -42.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | A89 E90 R96 A97 | A89-A93 WeakPolarHBondContact O-CB 3.34Å; A89-A93 PolarHBondContact O-N 3.46Å; E90-A93 CarbonylContact O-C 3.42Å; E90-A93 WeakPolarHBondContact O-CA 3.38Å; E90-A93 WeakPolarHBondContact O-CB 3.39Å; E90-A93 PolarHBondContact O-N 3.33Å; A93-R96 PolarHBondContact O-N 3.47Å; A93-A97 PolarHBondContact O-N 3.08Å |
| 94 | R | 98.8 | Very high | 98.7 | Very high | 134 Ų | 134 | 102.9 Ų | 102.9 | 51% | 0.506 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.7 | -48.9 | 177.9 | -148.5 | -172.5 | 78.4 | -156.3 | 5.1 | 112 | E90 R91 R96 A97 E98 | E90-R94 PolarHBondContact O-N 2.74Å; E90-R94 WeakPolarHBondContact OE1-CD 3.28Å; R91-R94 PolarHBondContact O-N 3.06Å; R94-R96 VanDerWaalsContact C-N 3.28Å; R94-R96 PolarHBondContact O-N 3.37Å; R94-A97 CarbonylContact O-C 3.33Å; R94-A97 WeakPolarHBondContact O-CA 3.38Å; R94-A97 WeakPolarHBondContact O-CB 3.44Å; R94-A97 PolarHBondContact O-N 3.34Å; R94-E98 IonicContact CZ-OE1 3.15Å; R94-E98 IonicContact NE-OE1 2.64Å; R94-E98 PolarHBondContact NE-OE1 3.04Å; R94-E98 IonicContact NH2-OE1 2.92Å; R94-E98 PolarHBondContact NH2-OE1 2.97Å; R94-E98 WeakPolarHBondContact O-CG 3.33Å; R94-E98 PolarHBondContact O-N 2.89Å |
| 95 | L | 98.8 | Very high | 98.7 | Very high | 105 Ų | 105 | 99.5 Ų | 99.5 | 55% | 0.55 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.3 | -36.7 | 175 | -72.6 | 169.9 | 0 | 0 | 0 | 113.1 | R91 S99 | R91-L95 WeakPolarHBondContact O-CG 3.48Å; R91-L95 PolarHBondContact O-N 2.87Å; L95-S99 WeakPolarHBondContact O-CB 3.38Å; L95-S99 PolarHBondContact O-N 3.36Å |
| 96 | R | 98.7 | Very high | 98.7 | Very high | 156 Ų | 156 | 99.9 Ų | 99.9 | 59% | 0.589 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.9 | -37 | 173.7 | -70.8 | -179.5 | -164.6 | 107.9 | -15.7 | 112.4 | R92 A93 R94 R100 | R92-R96 VanDerWaalsContact C-NH1 3.34Å; R92-R96 VanDerWaalsContact O-CG 3.31Å; R92-R96 WeakPolarHBondContact O-CG 3.41Å; R92-R96 PolarHBondContact O-N 2.81Å; R92-R96 PolarHBondContact O-NH1 3.42Å; A93-R96 PolarHBondContact O-N 3.47Å; R94-R96 VanDerWaalsContact C-N 3.28Å; R94-R96 PolarHBondContact O-N 3.37Å; R96-R100 WeakPolarHBondContact O-CG 3.35Å; R96-R100 PolarHBondContact O-N 3.4Å |
| 97 | A | 98.8 | Very high | 98.6 | Very high | 59 Ų | 59 | 101.6 Ų | 101.6 | 49% | 0.488 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.5 | -43.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A93 R94 S99 R100 L101 | A93-A97 PolarHBondContact O-N 3.08Å; R94-A97 CarbonylContact O-C 3.33Å; R94-A97 WeakPolarHBondContact O-CA 3.38Å; R94-A97 WeakPolarHBondContact O-CB 3.44Å; R94-A97 PolarHBondContact O-N 3.34Å; A97-S99 VanDerWaalsContact C-N 3.34Å; A97-S99 PolarHBondContact O-N 3.28Å; A97-R100 PolarHBondContact O-N 2.99Å; A97-L101 WeakPolarHBondContact O-CB 3.48Å; A97-L101 PolarHBondContact O-N 3.2Å |
| 98 | E | 98.6 | Very high | 98.6 | Very high | 66 Ų | 66 | 102.9 Ų | 102.9 | 31% | 0.308 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.4 | -41 | 173.8 | -69.9 | 168.9 | -151 | 0 | 0 | 111.8 | R94 L101 K102 | R94-E98 IonicContact CZ-OE1 3.15Å; R94-E98 IonicContact NE-OE1 2.64Å; R94-E98 PolarHBondContact NE-OE1 3.04Å; R94-E98 IonicContact NH2-OE1 2.92Å; R94-E98 PolarHBondContact NH2-OE1 2.97Å; R94-E98 WeakPolarHBondContact O-CG 3.33Å; R94-E98 PolarHBondContact O-N 2.89Å; E98-L101 PolarHBondContact O-N 3.28Å; E98-K102 WeakPolarHBondContact O-CG 3.34Å; E98-K102 PolarHBondContact O-N 3.3Å |
| 99 | S | 98.7 | Very high | 98.6 | Very high | 78 Ų | 78 | 102 Ų | 102 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.7 | -49.2 | 175.2 | -168.5 | 0 | 0 | 0 | 0 | 112.1 | L95 A97 L101 K102 E103 | L95-S99 WeakPolarHBondContact O-CB 3.38Å; L95-S99 PolarHBondContact O-N 3.36Å; A97-S99 VanDerWaalsContact C-N 3.34Å; A97-S99 PolarHBondContact O-N 3.28Å; S99-L101 VanDerWaalsContact C-N 3.31Å; S99-L101 PolarHBondContact O-N 3.46Å; S99-K102 PolarHBondContact O-N 2.98Å; S99-E103 PolarHBondContact O-N 3.04Å |
| 100 | R | 98.7 | Very high | 98.6 | Very high | 173 Ų | 173 | 108 Ų | 108 | 65% | 0.653 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.9 | -30.1 | 177.8 | -70.4 | -176.9 | 68.9 | -155.5 | -1.5 | 113.2 | R96 A97 C104 | R96-R100 WeakPolarHBondContact O-CG 3.35Å; R96-R100 PolarHBondContact O-N 3.4Å; A97-R100 PolarHBondContact O-N 2.99Å; R100-C104 PolarHBondContact O-N 3.35Å; R100-C104 PolarHBondContact O-SG 3.31Å; R100-C104 VanDerWaalsContact O-SG 3.36Å |
| 101 | L | 98.6 | Very high | 98.6 | Very high | 101 Ų | 101 | 108.5 Ų | 108.5 | 53% | 0.529 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.4 | -48 | 173.4 | 180 | 62.6 | 0 | 0 | 0 | 110.6 | A97 E98 S99 E103 C104 E105 | A97-L101 WeakPolarHBondContact O-CB 3.48Å; A97-L101 PolarHBondContact O-N 3.2Å; E98-L101 PolarHBondContact O-N 3.28Å; S99-L101 VanDerWaalsContact C-N 3.31Å; S99-L101 PolarHBondContact O-N 3.46Å; L101-E103 VanDerWaalsContact C-N 3.35Å; L101-E103 PolarHBondContact O-N 3.27Å; L101-C104 PolarHBondContact O-N 3.08Å; L101-E105 HydrophobicContact CD1-CG 4.41Å; L101-E105 WeakPolarHBondContact O-CB 3.39Å; L101-E105 WeakPolarHBondContact O-CG 3.32Å; L101-E105 PolarHBondContact O-N 2.99Å |
| 102 | K | 98.6 | Very high | 98.5 | Very high | 131 Ų | 131 | 109 Ų | 109 | 57% | 0.57 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.6 | -41.2 | 177.4 | -69.7 | 171.4 | -178.9 | 177.8 | 0 | 112.2 | E98 S99 E105 L106 | E98-K102 WeakPolarHBondContact O-CG 3.34Å; E98-K102 PolarHBondContact O-N 3.3Å; S99-K102 PolarHBondContact O-N 2.98Å; K102-E105 PolarHBondContact O-N 3.45Å; K102-L106 WeakPolarHBondContact O-CG 3.47Å; K102-L106 PolarHBondContact O-N 2.81Å |
| 103 | E | 98.3 | Very high | 98.5 | Very high | 124 Ų | 124 | 106.2 Ų | 106.2 | 58% | 0.579 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -56.7 | -53.7 | 173.2 | -178.2 | 178.5 | -150.3 | 0 | 0 | 111.4 | S99 L101 E105 L106 E107 | S99-E103 PolarHBondContact O-N 3.04Å; L101-E103 VanDerWaalsContact C-N 3.35Å; L101-E103 PolarHBondContact O-N 3.27Å; E103-E105 VanDerWaalsContact C-N 3.29Å; E103-E105 PolarHBondContact O-N 3.02Å; E103-L106 PolarHBondContact O-N 3.26Å; E103-E107 PolarHBondContact O-N 2.92Å |
| 104 | C | 98.5 | Very high | 98.4 | Very high | 64 Ų | 64 | 105.2 Ų | 105.2 | 43% | 0.432 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.4 | -29 | 176.8 | -68.6 | 0 | 0 | 0 | 0 | 113.6 | R100 L101 K108 | R100-C104 PolarHBondContact O-N 3.35Å; R100-C104 PolarHBondContact O-SG 3.31Å; R100-C104 VanDerWaalsContact O-SG 3.36Å; L101-C104 PolarHBondContact O-N 3.08Å; C104-K108 WeakPolarHBondContact O-CB 3.33Å; C104-K108 PolarHBondContact O-N 3.49Å |
| 105 | E | 98.5 | Very high | 98.3 | Very high | 101 Ų | 101 | 103.7 Ų | 103.7 | 47% | 0.472 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -72.2 | -39 | 175.6 | -77 | 178.2 | 158.7 | 0 | 0 | 112.4 | L101 K102 E103 G109 | L101-E105 HydrophobicContact CD1-CG 4.41Å; L101-E105 WeakPolarHBondContact O-CB 3.39Å; L101-E105 WeakPolarHBondContact O-CG 3.32Å; L101-E105 PolarHBondContact O-N 2.99Å; K102-E105 PolarHBondContact O-N 3.45Å; E103-E105 VanDerWaalsContact C-N 3.29Å; E103-E105 PolarHBondContact O-N 3.02Å; E105-G109 PolarHBondContact O-N 3.2Å |
| 106 | L | 98.5 | Very high | 98.1 | Very high | 135 Ų | 135 | 105.8 Ų | 105.8 | 71% | 0.707 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.6 | -46.3 | 173.4 | -69.8 | 170.7 | 0 | 0 | 0 | 111.7 | K102 E103 K108 G109 Y110 | K102-L106 WeakPolarHBondContact O-CG 3.47Å; K102-L106 PolarHBondContact O-N 2.81Å; E103-L106 PolarHBondContact O-N 3.26Å; L106-K108 VanDerWaalsContact C-N 3.34Å; L106-K108 PolarHBondContact O-N 3.22Å; L106-G109 WeakPolarHBondContact O-CA 3.45Å; L106-G109 PolarHBondContact O-N 2.82Å; L106-G109 VanDerWaalsContact O-N 3.08Å; L106-Y110 PolarHBondContact O-N 2.88Å |
| 107 | E | 98.3 | Very high | 98 | Very high | 113 Ų | 113 | 101.7 Ų | 101.7 | 53% | 0.528 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.8 | -45.8 | 175.4 | -174.7 | -172.1 | -163.2 | 0 | 0 | 111.2 | E103 G109 Y110 L111 | E103-E107 PolarHBondContact O-N 2.92Å; E107-G109 VanDerWaalsContact C-N 3.27Å; E107-G109 PolarHBondContact O-N 3.5Å; E107-Y110 PolarHBondContact O-N 3.26Å; E107-L111 HydrophobicContact CG-CD1 3.95Å; E107-L111 HydrophobicContact CG-CG 4.31Å; E107-L111 WeakPolarHBondContact O-CB 3.04Å; E107-L111 WeakPolarHBondContact O-CG 3.43Å; E107-L111 PolarHBondContact O-N 3.36Å |
| 108 | K | 98.3 | Very high | 97.7 | Very high | 108 Ų | 108 | 104.3 Ų | 104.3 | 47% | 0.47 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.2 | -30.7 | 174.7 | 171.4 | -178.7 | 160.3 | -161.7 | 0 | 113 | C104 L106 R112 | C104-K108 WeakPolarHBondContact O-CB 3.33Å; C104-K108 PolarHBondContact O-N 3.49Å; L106-K108 VanDerWaalsContact C-N 3.34Å; L106-K108 PolarHBondContact O-N 3.22Å; K108-R112 VanDerWaalsContact O-CD 3.24Å; K108-R112 WeakPolarHBondContact O-CD 3.33Å; K108-R112 WeakPolarHBondContact O-CG 3.48Å; K108-R112 PolarHBondContact O-N 2.99Å |
| 109 | G | 98.3 | Very high | 97.3 | Very high | 24 Ų | 24 | 104.2 Ų | 104.2 | 25% | 0.247 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -65.3 | -59.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111 | E105 L106 E107 L111 R112 D113 | E105-G109 PolarHBondContact O-N 3.2Å; L106-G109 WeakPolarHBondContact O-CA 3.45Å; L106-G109 PolarHBondContact O-N 2.82Å; L106-G109 VanDerWaalsContact O-N 3.08Å; E107-G109 VanDerWaalsContact C-N 3.27Å; E107-G109 PolarHBondContact O-N 3.5Å; G109-L111 VanDerWaalsContact C-N 3.32Å; G109-L111 PolarHBondContact O-N 3.48Å; G109-R112 WeakPolarHBondContact O-CB 3.38Å; G109-R112 PolarHBondContact O-N 3.11Å; G109-D113 PolarHBondContact O-N 3.31Å |
| 110 | Y | 98.3 | Very high | 96.8 | Very high | 171 Ų | 171 | 106.8 Ų | 106.8 | 67% | 0.671 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -51.4 | -46.3 | 177.8 | 172.8 | -101.1 | 0 | 0 | 0 | 113.1 | L106 E107 R112 D113 A114 | L106-Y110 PolarHBondContact O-N 2.88Å; E107-Y110 PolarHBondContact O-N 3.26Å; Y110-R112 VanDerWaalsContact C-N 3.34Å; Y110-R112 PolarHBondContact O-N 3.18Å; Y110-D113 PolarHBondContact O-N 3.09Å; Y110-A114 WeakPolarHBondContact O-CB 3.24Å; Y110-A114 PolarHBondContact O-N 3Å |
| 111 | L | 98.3 | Very high | 96.2 | Very high | 96 Ų | 96 | 100.6 Ų | 100.6 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65 | -33.7 | 177.9 | -72.7 | 173.6 | 0 | 0 | 0 | 113 | E107 G109 N115 | E107-L111 HydrophobicContact CG-CD1 3.95Å; E107-L111 HydrophobicContact CG-CG 4.31Å; E107-L111 WeakPolarHBondContact O-CB 3.04Å; E107-L111 WeakPolarHBondContact O-CG 3.43Å; E107-L111 PolarHBondContact O-N 3.36Å; G109-L111 VanDerWaalsContact C-N 3.32Å; G109-L111 PolarHBondContact O-N 3.48Å; L111-N115 WeakPolarHBondContact O-CB 3.13Å; L111-N115 PolarHBondContact O-N 3.32Å |
| 112 | R | 98.2 | Very high | 95.4 | Very high | 156 Ų | 156 | 101.8 Ų | 101.8 | 59% | 0.589 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.7 | -41.7 | 174.4 | -77.5 | 164.4 | 165.9 | -176.7 | -11.5 | 111.5 | K108 G109 Y110 N115 R116 | K108-R112 VanDerWaalsContact O-CD 3.24Å; K108-R112 WeakPolarHBondContact O-CD 3.33Å; K108-R112 WeakPolarHBondContact O-CG 3.48Å; K108-R112 PolarHBondContact O-N 2.99Å; G109-R112 WeakPolarHBondContact O-CB 3.38Å; G109-R112 PolarHBondContact O-N 3.11Å; Y110-R112 VanDerWaalsContact C-N 3.34Å; Y110-R112 PolarHBondContact O-N 3.18Å; R112-N115 PolarHBondContact O-N 3.18Å; R112-R116 WeakPolarHBondContact O-CB 3.23Å; R112-R116 PolarHBondContact O-N 2.99Å |
| 113 | D | 97.7 | Very high | 94.3 | Very high | 80 Ų | 80 | 98.5 Ų | 98.5 | 43% | 0.428 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -77.9 | -34.7 | -177.5 | -64.8 | -38.6 | 0 | 0 | 0 | 111.7 | G109 Y110 R116 S117 | G109-D113 PolarHBondContact O-N 3.31Å; Y110-D113 PolarHBondContact O-N 3.09Å; D113-R116 WeakPolarHBondContact O-CB 3.18Å; D113-R116 PolarHBondContact O-N 3.43Å; D113-R116 IonicContact OD1-CZ 2.88Å; D113-R116 IonicContact OD1-NE 3.13Å; D113-R116 PolarHBondContact OD1-NE 2.93Å; D113-R116 VanDerWaalsContact OD1-NE 3.15Å; D113-R116 IonicContact OD1-NH2 3.24Å; D113-R116 PolarHBondContact OD1-NH2 2.85Å; D113-S117 PolarHBondContact O-N 3.28Å; D113-S117 PolarHBondContact O-OG 3.42Å |
| 114 | A | 96.9 | Very high | 93.1 | Very high | 35 Ų | 35 | 94.7 Ų | 94.7 | 29% | 0.289 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y110 R116 S117 L118 | Y110-A114 WeakPolarHBondContact O-CB 3.24Å; Y110-A114 PolarHBondContact O-N 3Å; A114-R116 VanDerWaalsContact C-N 3.34Å; A114-S117 PolarHBondContact O-N 3.3Å; A114-L118 WeakPolarHBondContact O-CB 3.36Å; A114-L118 WeakPolarHBondContact O-CG 3.32Å; A114-L118 PolarHBondContact O-N 3.3Å |
| 115 | N | 96.4 | Very high | 91 | Very high | 101 Ų | 101 | 98.3 Ų | 98.3 | 54% | 0.54 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.8 | -36.4 | 175.5 | -170.4 | -67.7 | 0 | 0 | 0 | 111.9 | L111 R112 L118 S119 | L111-N115 WeakPolarHBondContact O-CB 3.13Å; L111-N115 PolarHBondContact O-N 3.32Å; R112-N115 PolarHBondContact O-N 3.18Å; N115-L118 PolarHBondContact O-N 2.99Å; N115-S119 WeakPolarHBondContact O-CB 3.41Å; N115-S119 PolarHBondContact O-N 3.43Å; N115-S119 PolarHBondContact O-OG 3.21Å; N115-S119 PolarHBondContact OD1-OG 3.03Å |
| 116 | R | 95.6 | Very high | 89.2 | Confident | 149 Ų | 149 | 96 Ų | 96 | 56% | 0.562 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.5 | -51.2 | 171.6 | -172.9 | -163.3 | -47.5 | -74.7 | -3.2 | 111 | R112 D113 A114 L118 S119 E120 | R112-R116 WeakPolarHBondContact O-CB 3.23Å; R112-R116 PolarHBondContact O-N 2.99Å; D113-R116 WeakPolarHBondContact O-CB 3.18Å; D113-R116 PolarHBondContact O-N 3.43Å; D113-R116 IonicContact OD1-CZ 2.88Å; D113-R116 IonicContact OD1-NE 3.13Å; D113-R116 PolarHBondContact OD1-NE 2.93Å; D113-R116 VanDerWaalsContact OD1-NE 3.15Å; D113-R116 IonicContact OD1-NH2 3.24Å; D113-R116 PolarHBondContact OD1-NH2 2.85Å; A114-R116 VanDerWaalsContact C-N 3.34Å; R116-L118 VanDerWaalsContact C-N 3.31Å; R116-L118 PolarHBondContact O-N 3.31Å; R116-S119 CarbonylContact O-C 3.57Å; R116-S119 PolarHBondContact O-N 3.36Å; R116-S119 VanDerWaalsContact O-N 3.13Å; R116-E120 VanDerWaalsContact O-CB 3.31Å; R116-E120 WeakPolarHBondContact O-CB 3.38Å; R116-E120 PolarHBondContact O-N 3.37Å |
| 117 | S | 95.4 | Very high | 87.2 | Confident | 70 Ų | 70 | 93.1 Ų | 93.1 | 49% | 0.49 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.7 | -33.9 | 178.8 | -62.7 | 0 | 0 | 0 | 0 | 112.9 | D113 A114 A121 | D113-S117 PolarHBondContact O-N 3.28Å; D113-S117 PolarHBondContact O-OG 3.42Å; A114-S117 PolarHBondContact O-N 3.3Å; S117-A121 VanDerWaalsContact O-CB 3.23Å; S117-A121 WeakPolarHBondContact O-CB 3.4Å; S117-A121 PolarHBondContact O-N 3.06Å |
| 118 | L | 93.7 | Very high | 85.2 | Confident | 114 Ų | 114 | 88.4 Ų | 88.4 | 60% | 0.597 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -69 | -40.9 | 171.3 | -72.4 | 171.1 | 0 | 0 | 0 | 112.2 | A114 N115 R116 A121 L122 | A114-L118 WeakPolarHBondContact O-CB 3.36Å; A114-L118 WeakPolarHBondContact O-CG 3.32Å; A114-L118 PolarHBondContact O-N 3.3Å; N115-L118 PolarHBondContact O-N 2.99Å; R116-L118 VanDerWaalsContact C-N 3.31Å; R116-L118 PolarHBondContact O-N 3.31Å; L118-A121 PolarHBondContact O-N 2.96Å; L118-L122 WeakPolarHBondContact O-CB 3.26Å; L118-L122 VanDerWaalsContact O-CG 3.26Å; L118-L122 WeakPolarHBondContact O-CG 3.31Å; L118-L122 PolarHBondContact O-N 3.48Å |
| 119 | S | 89.3 | Confident | 83.3 | Confident | 65 Ų | 65 | 87.5 Ų | 87.5 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.1 | -37.9 | 176.4 | -59.5 | 0 | 0 | 0 | 0 | 111.9 | N115 R116 G123 | N115-S119 WeakPolarHBondContact O-CB 3.41Å; N115-S119 PolarHBondContact O-N 3.43Å; N115-S119 PolarHBondContact O-OG 3.21Å; N115-S119 PolarHBondContact OD1-OG 3.03Å; R116-S119 CarbonylContact O-C 3.57Å; R116-S119 PolarHBondContact O-N 3.36Å; R116-S119 VanDerWaalsContact O-N 3.13Å; S119-G123 PolarHBondContact O-N 2.92Å |
| 120 | E | 88.9 | Confident | 81.3 | Confident | 131 Ų | 131 | 89.5 Ų | 89.5 | 61% | 0.612 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.5 | -46.6 | 173.2 | -177.2 | 177.5 | -179.9 | 0 | 0 | 110.8 | R116 L122 G123 A124 | R116-E120 VanDerWaalsContact O-CB 3.31Å; R116-E120 WeakPolarHBondContact O-CB 3.38Å; R116-E120 PolarHBondContact O-N 3.37Å; E120-L122 PolarHBondContact O-N 3.23Å; E120-G123 CarbonylContact O-C 3.54Å; E120-G123 PolarHBondContact O-N 3.26Å; E120-A124 VanDerWaalsContact O-CB 3.28Å; E120-A124 WeakPolarHBondContact O-CB 3.37Å; E120-A124 PolarHBondContact O-N 3.03Å |
| 121 | A | 86 | Confident | 79.3 | Confident | 43 Ų | 43 | 87.3 Ų | 87.3 | 36% | 0.355 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.2 | -44 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | S117 L118 A124 S127 | S117-A121 VanDerWaalsContact O-CB 3.23Å; S117-A121 WeakPolarHBondContact O-CB 3.4Å; S117-A121 PolarHBondContact O-N 3.06Å; L118-A121 PolarHBondContact O-N 2.96Å; A121-A124 PolarHBondContact O-N 2.81Å; A121-S127 WeakPolarHBondContact O-CB 3.34Å |
| 122 | L | 82.1 | Confident | 77.3 | Confident | 127 Ų | 127 | 90.2 Ų | 90.2 | 67% | 0.665 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -69.9 | -34.1 | 177.2 | -70.9 | 170.1 | 0 | 0 | 0 | 113.1 | L118 E120 | L118-L122 WeakPolarHBondContact O-CB 3.26Å; L118-L122 VanDerWaalsContact O-CG 3.26Å; L118-L122 WeakPolarHBondContact O-CG 3.31Å; L118-L122 PolarHBondContact O-N 3.48Å; E120-L122 PolarHBondContact O-N 3.23Å |
| 123 | G | 74.9 | Confident | 75.4 | Confident | 62 Ų | 62 | 87 Ų | 87 | 64% | 0.639 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -79.8 | -16 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | S119 E120 | S119-G123 PolarHBondContact O-N 2.92Å; E120-G123 CarbonylContact O-C 3.54Å; E120-G123 PolarHBondContact O-N 3.26Å |
| 124 | A | 72.8 | Confident | 73.6 | Confident | 43 Ų | 43 | 89.3 Ų | 89.3 | 36% | 0.355 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -67.6 | 127 | 180 | 0 | 0 | 0 | 0 | 0 | 110.7 | E120 A121 G126 S127 | E120-A124 VanDerWaalsContact O-CB 3.28Å; E120-A124 WeakPolarHBondContact O-CB 3.37Å; E120-A124 PolarHBondContact O-N 3.03Å; A121-A124 PolarHBondContact O-N 2.81Å; A124-G126 VanDerWaalsContact C-N 3.31Å; A124-G126 PolarHBondContact O-N 3.2Å; A124-S127 PolarHBondContact O-N 2.87Å |
| 125 | P | 53.8 | Low | 72 | Confident | 141 Ų | 141 | 90.8 Ų | 90.8 | 92% | 0.916 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | 85.4 | -176.7 | 28.3 | -35.2 | 0 | 0 | 0 | 111.3 | ||
| 126 | G | 62 | Low | 70.4 | Confident | 51 Ų | 51 | 88.9 Ų | 88.9 | 53% | 0.526 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 159.6 | -35.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A124 G128 R132 | A124-G126 VanDerWaalsContact C-N 3.31Å; A124-G126 PolarHBondContact O-N 3.2Å; G126-G128 VanDerWaalsContact C-N 3.34Å; G126-G128 PolarHBondContact O-N 2.9Å; G126-R132 PolarHBondContact O-NH2 3.13Å |
| 127 | S | 57.1 | Low | 68.9 | Low | 75 Ų | 75 | 87 Ų | 87 | 52% | 0.524 | 54% | 0.537 | S | S | . | . | trans | -79.5 | -12.1 | -171.7 | -159.9 | 0 | 0 | 0 | 0 | 114.7 | A121 A124 S129 | A121-S127 WeakPolarHBondContact O-CB 3.34Å; A124-S127 PolarHBondContact O-N 2.87Å; S127-S129 PolarHBondContact O-N 3.4Å | ||
| 128 | G | 56.3 | Low | 67.8 | Low | 15 Ų | 15 | 90.1 Ų | 90.1 | 16% | 0.155 | 54% | 0.544 | C | S | . | . | trans | -71.5 | 62.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G126 L131 R132 | G126-G128 VanDerWaalsContact C-N 3.34Å; G126-G128 PolarHBondContact O-N 2.9Å; G128-L131 PolarHBondContact O-N 2.85Å; G128-R132 WeakPolarHBondContact O-CB 3.5Å; G128-R132 PolarHBondContact O-N 3.43Å | ||
| 129 | S | 56.3 | Low | 67.6 | Low | 89 Ų | 89 | 87.8 Ų | 87.8 | 62% | 0.622 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.3 | -42 | 174 | -177.2 | 0 | 0 | 0 | 0 | 111.4 | S127 T133 | S127-S129 PolarHBondContact O-N 3.4Å; S129-T133 PolarHBondContact O-N 2.77Å; S129-T133 PolarHBondContact O-OG1 3.15Å |
| 130 | A | 56.8 | Low | 67.6 | Low | 66 Ų | 66 | 91.7 Ų | 91.7 | 55% | 0.545 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -71.1 | -38.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R132 T133 F134 | A130-R132 VanDerWaalsContact C-N 3.32Å; A130-R132 PolarHBondContact O-N 3.48Å; A130-T133 WeakPolarHBondContact CA-OG1 3.35Å; A130-T133 PolarHBondContact O-N 2.92Å; A130-T133 PolarHBondContact O-OG1 3.49Å; A130-F134 WeakPolarHBondContact O-CD2 3.43Å; A130-F134 PolarHBondContact O-N 2.87Å |
| 131 | L | 56 | Low | 67.6 | Low | 124 Ų | 124 | 88.9 Ų | 88.9 | 65% | 0.649 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.6 | -34.6 | 178.1 | -144.9 | 79 | 0 | 0 | 0 | 111.6 | G128 F134 S135 | G128-L131 PolarHBondContact O-N 2.85Å; L131-F134 PolarHBondContact O-N 2.77Å; L131-S135 WeakPolarHBondContact O-CB 3.41Å; L131-S135 PolarHBondContact O-N 3.27Å |
| 132 | R | 57.5 | Low | 67.9 | Low | 157 Ų | 157 | 89 Ų | 89 | 59% | 0.592 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.7 | -32.8 | 174.1 | -172.1 | -178.7 | -61.3 | 150.4 | 7.1 | 112.2 | G126 G128 A130 F134 S136 | G126-R132 PolarHBondContact O-NH2 3.13Å; G128-R132 WeakPolarHBondContact O-CB 3.5Å; G128-R132 PolarHBondContact O-N 3.43Å; A130-R132 VanDerWaalsContact C-N 3.32Å; A130-R132 PolarHBondContact O-N 3.48Å; R132-F134 VanDerWaalsContact C-N 3.32Å; R132-S136 WeakPolarHBondContact O-CB 3.46Å; R132-S136 PolarHBondContact O-N 2.83Å |
| 133 | T | 57.5 | Low | 68.4 | Low | 88 Ų | 88 | 86.4 Ų | 86.4 | 54% | 0.54 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.9 | -26 | 172.9 | 42.1 | 0 | 0 | 0 | 0 | 113.4 | S129 A130 | S129-T133 PolarHBondContact O-N 2.77Å; S129-T133 PolarHBondContact O-OG1 3.15Å; A130-T133 WeakPolarHBondContact CA-OG1 3.35Å; A130-T133 PolarHBondContact O-N 2.92Å; A130-T133 PolarHBondContact O-OG1 3.49Å |
| 134 | F | 60.7 | Low | 69.4 | Low | 129 Ų | 129 | 89.8 Ų | 89.8 | 57% | 0.566 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -78.1 | -48.8 | 168.1 | -66.2 | -66.4 | 0 | 0 | 0 | 111.2 | A130 L131 R132 S136 L137 E138 | A130-F134 WeakPolarHBondContact O-CD2 3.43Å; A130-F134 PolarHBondContact O-N 2.87Å; L131-F134 PolarHBondContact O-N 2.77Å; R132-F134 VanDerWaalsContact C-N 3.32Å; F134-S136 PolarHBondContact O-N 3.46Å; F134-S136 VanDerWaalsContact O-N 3.12Å; F134-L137 CarbonylContact O-C 3.59Å; F134-L137 WeakPolarHBondContact O-CA 3.28Å; F134-L137 WeakPolarHBondContact O-CB 3.45Å; F134-L137 PolarHBondContact O-N 2.97Å; F134-E138 WeakPolarHBondContact O-CG 3.36Å; F134-E138 PolarHBondContact O-N 3.41Å |
| 135 | S | 63.1 | Low | 70.5 | Confident | 66 Ų | 66 | 91.4 Ų | 91.4 | 46% | 0.462 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.8 | -22.4 | 177.1 | 166.5 | 0 | 0 | 0 | 0 | 114.4 | L131 E138 D139 | L131-S135 WeakPolarHBondContact O-CB 3.41Å; L131-S135 PolarHBondContact O-N 3.27Å; S135-E138 WeakPolarHBondContact CA-OE2 3.43Å; S135-E138 CarbonylContact O-C 3.57Å; S135-D139 PolarHBondContact O-N 2.95Å |
| 136 | S | 62.7 | Low | 72.4 | Confident | 62 Ų | 62 | 87.9 Ų | 87.9 | 43% | 0.434 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -10.8 | 172.2 | -175.2 | 0 | 0 | 0 | 0 | 113.9 | R132 F134 | R132-S136 WeakPolarHBondContact O-CB 3.46Å; R132-S136 PolarHBondContact O-N 2.83Å; F134-S136 PolarHBondContact O-N 3.46Å; F134-S136 VanDerWaalsContact O-N 3.12Å |
| 137 | L | 65.1 | Low | 74 | Confident | 109 Ų | 109 | 91.2 Ų | 91.2 | 57% | 0.571 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -17 | 166.7 | -66 | 170.8 | 0 | 0 | 0 | 111.4 | F134 D139 L143 | F134-L137 CarbonylContact O-C 3.59Å; F134-L137 WeakPolarHBondContact O-CA 3.28Å; F134-L137 WeakPolarHBondContact O-CB 3.45Å; F134-L137 PolarHBondContact O-N 2.97Å; L137-D139 VanDerWaalsContact C-N 3.29Å; L137-L143 WeakPolarHBondContact O-CD2 3.06Å |
| 138 | E | 72 | Confident | 76 | Confident | 136 Ų | 136 | 90.9 Ų | 90.9 | 64% | 0.636 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -87.7 | 4.2 | 167.9 | -60.5 | 163.4 | 170.2 | 0 | 0 | 112 | F134 S135 E140 | F134-E138 WeakPolarHBondContact O-CG 3.36Å; F134-E138 PolarHBondContact O-N 3.41Å; S135-E138 WeakPolarHBondContact CA-OE2 3.43Å; S135-E138 CarbonylContact O-C 3.57Å; E138-E140 PolarHBondContact O-N 3.35Å |
| 139 | D | 88.4 | Confident | 77.9 | Confident | 65 Ų | 65 | 93 Ų | 93 | 35% | 0.348 | 51% | 0.508 | S | S | . | . | trans | -76.1 | 110.8 | 175 | -176.6 | -25.1 | 0 | 0 | 0 | 109.7 | S135 L137 S141 V142 L143 | S135-D139 PolarHBondContact O-N 2.95Å; L137-D139 VanDerWaalsContact C-N 3.29Å; D139-S141 PolarHBondContact O-N 2.79Å; D139-S141 VanDerWaalsContact O-N 3.09Å; D139-S141 WeakPolarHBondContact OD1-CB 3.14Å; D139-S141 PolarHBondContact OD1-N 3.21Å; D139-S141 PolarHBondContact OD1-OG 2.79Å; D139-S141 PolarHBondContact OD2-OG 3.04Å; D139-V142 HydrophobicContact CB-CB 4.11Å; D139-V142 HydrophobicContact CB-CG2 3.86Å; D139-V142 WeakPolarHBondContact O-CA 3.38Å; D139-V142 WeakPolarHBondContact O-CB 3.33Å; D139-V142 PolarHBondContact O-N 3.41Å; D139-L143 PolarHBondContact O-N 3.4Å | ||
| 140 | E | 89.4 | Confident | 79.9 | Confident | 147 Ų | 147 | 94.4 Ų | 94.4 | 69% | 0.687 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -52.2 | -31.2 | 178.9 | -63.2 | -68.3 | 174.6 | 0 | 0 | 113.1 | E138 L143 E144 | E138-E140 PolarHBondContact O-N 3.35Å; E140-L143 PolarHBondContact O-N 3.28Å; E140-E144 WeakPolarHBondContact O-CB 3.47Å; E140-E144 PolarHBondContact O-N 2.86Å |
| 141 | S | 89.3 | Confident | 81.9 | Confident | 71 Ų | 71 | 95.5 Ų | 95.5 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -74.9 | -29 | 177.3 | 74.1 | 0 | 0 | 0 | 0 | 112.9 | D139 S145 | D139-S141 PolarHBondContact O-N 2.79Å; D139-S141 VanDerWaalsContact O-N 3.09Å; D139-S141 WeakPolarHBondContact OD1-CB 3.14Å; D139-S141 PolarHBondContact OD1-N 3.21Å; D139-S141 PolarHBondContact OD1-OG 2.79Å; D139-S141 PolarHBondContact OD2-OG 3.04Å; S141-S145 VanDerWaalsContact O-CB 3.27Å; S141-S145 WeakPolarHBondContact O-CB 3.14Å; S141-S145 PolarHBondContact O-N 3.45Å; S141-S145 VanDerWaalsContact O-N 3.14Å |
| 142 | V | 92.2 | Very high | 83.9 | Confident | 46 Ų | 46 | 95.7 Ų | 95.7 | 28% | 0.279 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -74.6 | -39.7 | 170.9 | 177.2 | 0 | 0 | 0 | 0 | 109.8 | D139 S145 I146 | D139-V142 HydrophobicContact CB-CB 4.11Å; D139-V142 HydrophobicContact CB-CG2 3.86Å; D139-V142 WeakPolarHBondContact O-CA 3.38Å; D139-V142 WeakPolarHBondContact O-CB 3.33Å; D139-V142 PolarHBondContact O-N 3.41Å; V142-S145 WeakPolarHBondContact O-CB 3.47Å; V142-S145 PolarHBondContact O-N 3.46Å; V142-I146 HydrophobicContact CG1-CD1 3.91Å; V142-I146 WeakPolarHBondContact O-CB 3.38Å; V142-I146 VanDerWaalsContact O-CG1 3.25Å; V142-I146 WeakPolarHBondContact O-CG1 3.42Å; V142-I146 PolarHBondContact O-N 2.72Å |
| 143 | L | 93.6 | Very high | 85.8 | Confident | 73 Ų | 73 | 93.3 Ų | 93.3 | 38% | 0.382 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.7 | -46.2 | 175.6 | -66.3 | 173.9 | 0 | 0 | 0 | 112.1 | L137 D139 E140 S145 I146 E147 | L137-L143 WeakPolarHBondContact O-CD2 3.06Å; D139-L143 PolarHBondContact O-N 3.4Å; E140-L143 PolarHBondContact O-N 3.28Å; L143-S145 VanDerWaalsContact C-N 3.31Å; L143-S145 PolarHBondContact O-N 3.42Å; L143-I146 PolarHBondContact O-N 3.32Å; L143-E147 PolarHBondContact O-N 3.29Å |
| 144 | E | 94.8 | Very high | 87.7 | Confident | 132 Ų | 132 | 93.9 Ų | 93.9 | 62% | 0.617 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60 | -41.5 | 173.6 | -172.6 | -171 | 174 | 0 | 0 | 111.1 | E140 I146 E147 N148 | E140-E144 WeakPolarHBondContact O-CB 3.47Å; E140-E144 PolarHBondContact O-N 2.86Å; E144-I146 VanDerWaalsContact C-N 3.35Å; E144-I146 PolarHBondContact O-N 3.27Å; E144-E147 PolarHBondContact O-N 3.45Å; E144-N148 WeakPolarHBondContact O-CB 3.44Å; E144-N148 PolarHBondContact O-N 2.79Å |
| 145 | S | 95.9 | Very high | 89.5 | Confident | 78 Ų | 78 | 90.5 Ų | 90.5 | 55% | 0.545 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62 | -41.2 | 175.6 | -172.7 | 0 | 0 | 0 | 0 | 112.2 | S141 V142 L143 S149 | S141-S145 VanDerWaalsContact O-CB 3.27Å; S141-S145 WeakPolarHBondContact O-CB 3.14Å; S141-S145 PolarHBondContact O-N 3.45Å; S141-S145 VanDerWaalsContact O-N 3.14Å; V142-S145 WeakPolarHBondContact O-CB 3.47Å; V142-S145 PolarHBondContact O-N 3.46Å; L143-S145 VanDerWaalsContact C-N 3.31Å; L143-S145 PolarHBondContact O-N 3.42Å; S145-S149 WeakPolarHBondContact O-CB 3.14Å; S145-S149 PolarHBondContact O-N 3.44Å |
| 146 | I | 94.7 | Very high | 91.2 | Very high | 67 Ų | 67 | 92.5 Ų | 92.5 | 34% | 0.344 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.8 | -48.1 | 175 | -71.7 | 165.2 | 0 | 0 | 0 | 110.8 | V142 L143 E144 N148 S149 F150 | V142-I146 HydrophobicContact CG1-CD1 3.91Å; V142-I146 WeakPolarHBondContact O-CB 3.38Å; V142-I146 VanDerWaalsContact O-CG1 3.25Å; V142-I146 WeakPolarHBondContact O-CG1 3.42Å; V142-I146 PolarHBondContact O-N 2.72Å; L143-I146 PolarHBondContact O-N 3.32Å; E144-I146 VanDerWaalsContact C-N 3.35Å; E144-I146 PolarHBondContact O-N 3.27Å; I146-N148 PolarHBondContact O-N 3.34Å; I146-S149 WeakPolarHBondContact O-CA 3.25Å; I146-S149 WeakPolarHBondContact O-CB 3.44Å; I146-S149 PolarHBondContact O-N 2.77Å; I146-S149 PolarHBondContact O-OG 2.98Å; I146-F150 HydrophobicContact CG2-CD2 3.82Å; I146-F150 HydrophobicContact CG2-CE2 3.53Å; I146-F150 WeakPolarHBondContact O-CD2 3.45Å; I146-F150 PolarHBondContact O-N 2.88Å |
| 147 | E | 95.8 | Very high | 92.8 | Very high | 121 Ų | 121 | 92.8 Ų | 92.8 | 57% | 0.565 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60.5 | -45 | 177.4 | -171.8 | -175.9 | 166.6 | 0 | 0 | 111.4 | L143 E144 S149 F150 N151 | L143-E147 PolarHBondContact O-N 3.29Å; E144-E147 PolarHBondContact O-N 3.45Å; E147-S149 PolarHBondContact O-N 3.41Å; E147-F150 PolarHBondContact O-N 3.2Å; E147-F150 VanDerWaalsContact O-N 3.08Å; E147-N151 PolarHBondContact O-N 3.47Å; E147-N151 PolarHBondContact O-ND2 3.34Å |
| 148 | N | 97.3 | Very high | 94.3 | Very high | 68 Ų | 68 | 91 Ų | 91 | 36% | 0.364 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.4 | -33.8 | 174.5 | -168.2 | -16.5 | 0 | 0 | 0 | 111.6 | E144 I146 K152 | E144-N148 WeakPolarHBondContact O-CB 3.44Å; E144-N148 PolarHBondContact O-N 2.79Å; I146-N148 PolarHBondContact O-N 3.34Å; N148-K152 VanDerWaalsContact CG-NZ 3.33Å; N148-K152 WeakPolarHBondContact O-CB 3.21Å; N148-K152 WeakPolarHBondContact O-CD 3.4Å; N148-K152 VanDerWaalsContact O-CG 3.27Å; N148-K152 WeakPolarHBondContact O-CG 3.46Å; N148-K152 PolarHBondContact O-N 3.47Å; N148-K152 WeakPolarHBondContact OD1-CE 3.49Å; N148-K152 PolarHBondContact OD1-NZ 3.48Å |
| 149 | S | 97.4 | Very high | 95.6 | Very high | 60 Ų | 60 | 89.8 Ų | 89.8 | 42% | 0.42 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.2 | -39.8 | 172.5 | 85.7 | 0 | 0 | 0 | 0 | 112.9 | S145 I146 E147 K152 F153 | S145-S149 WeakPolarHBondContact O-CB 3.14Å; S145-S149 PolarHBondContact O-N 3.44Å; I146-S149 WeakPolarHBondContact O-CA 3.25Å; I146-S149 WeakPolarHBondContact O-CB 3.44Å; I146-S149 PolarHBondContact O-N 2.77Å; I146-S149 PolarHBondContact O-OG 2.98Å; E147-S149 PolarHBondContact O-N 3.41Å; S149-K152 PolarHBondContact O-N 3.06Å; S149-F153 WeakPolarHBondContact O-CB 3.32Å; S149-F153 PolarHBondContact O-N 2.89Å |
| 150 | F | 98.1 | Very high | 95.9 | Very high | 118 Ų | 118 | 89.3 Ų | 89.3 | 52% | 0.518 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67.2 | -41.6 | 173.7 | -76.8 | -64.1 | 0 | 0 | 0 | 112 | I146 E147 K152 F153 H154 | I146-F150 HydrophobicContact CG2-CD2 3.82Å; I146-F150 HydrophobicContact CG2-CE2 3.53Å; I146-F150 WeakPolarHBondContact O-CD2 3.45Å; I146-F150 PolarHBondContact O-N 2.88Å; E147-F150 PolarHBondContact O-N 3.2Å; E147-F150 VanDerWaalsContact O-N 3.08Å; F150-K152 VanDerWaalsContact C-N 3.33Å; F150-K152 PolarHBondContact O-N 2.89Å; F150-F153 WeakPolarHBondContact O-CB 3.4Å; F150-F153 PolarHBondContact O-N 3.35Å; F150-F153 VanDerWaalsContact O-N 3.12Å; F150-H154 PolarHBondContact O-CD2 2.85Å; F150-H154 PolarHBondContact O-N 2.98Å |
| 151 | N | 97.9 | Very high | 96.1 | Very high | 89 Ų | 89 | 88.3 Ų | 88.3 | 48% | 0.476 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 175.6 | -74.2 | -32.7 | 0 | 0 | 0 | 111.6 | E147 H154 A155 | E147-N151 PolarHBondContact O-N 3.47Å; E147-N151 PolarHBondContact O-ND2 3.34Å; N151-H154 PolarHBondContact O-N 2.75Å; N151-A155 WeakPolarHBondContact O-CB 3.48Å; N151-A155 PolarHBondContact O-N 2.83Å |
| 152 | K | 98.1 | Very high | 96.4 | Very high | 128 Ų | 128 | 91.5 Ų | 91.5 | 56% | 0.557 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.4 | -39.3 | 171.2 | -74.2 | 162.3 | 179.6 | 144 | 0 | 112.8 | N148 S149 F150 A155 F156 | N148-K152 VanDerWaalsContact CG-NZ 3.33Å; N148-K152 WeakPolarHBondContact O-CB 3.21Å; N148-K152 WeakPolarHBondContact O-CD 3.4Å; N148-K152 VanDerWaalsContact O-CG 3.27Å; N148-K152 WeakPolarHBondContact O-CG 3.46Å; N148-K152 PolarHBondContact O-N 3.47Å; N148-K152 WeakPolarHBondContact OD1-CE 3.49Å; N148-K152 PolarHBondContact OD1-NZ 3.48Å; S149-K152 PolarHBondContact O-N 3.06Å; F150-K152 VanDerWaalsContact C-N 3.33Å; F150-K152 PolarHBondContact O-N 2.89Å; K152-A155 PolarHBondContact O-N 3.23Å; K152-F156 WeakPolarHBondContact O-CB 3.48Å; K152-F156 PolarHBondContact O-N 3.12Å |
| 153 | F | 98.3 | Very high | 96.6 | Very high | 106 Ų | 106 | 92.6 Ų | 92.6 | 47% | 0.465 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.2 | -42.2 | 175.9 | 177 | -108.9 | 0 | 0 | 0 | 111.9 | S149 F150 F156 L157 | S149-F153 WeakPolarHBondContact O-CB 3.32Å; S149-F153 PolarHBondContact O-N 2.89Å; F150-F153 WeakPolarHBondContact O-CB 3.4Å; F150-F153 PolarHBondContact O-N 3.35Å; F150-F153 VanDerWaalsContact O-N 3.12Å; F153-F156 WeakPolarHBondContact O-CB 3.47Å; F153-F156 PolarHBondContact O-N 3.01Å; F153-L157 HydrophobicContact CD1-CD1 4.15Å; F153-L157 HydrophobicContact CE1-CD1 3.57Å; F153-L157 HydrophobicContact CE1-CG 4.22Å; F153-L157 HydrophobicContact CE2-CD2 4.38Å; F153-L157 HydrophobicContact CE2-CG 4.35Å; F153-L157 HydrophobicContact CZ-CD1 3.78Å; F153-L157 HydrophobicContact CZ-CD2 4.22Å; F153-L157 HydrophobicContact CZ-CG 4.1Å; F153-L157 WeakPolarHBondContact O-CG 3.43Å; F153-L157 PolarHBondContact O-N 3.13Å |
| 154 | H | 97.9 | Very high | 96.6 | Very high | 101 Ų | 101 | 90 Ų | 90 | 47% | 0.468 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 173.8 | -74.7 | -61 | 0 | 0 | 0 | 111.9 | F150 N151 F156 L157 D158 | F150-H154 PolarHBondContact O-CD2 2.85Å; F150-H154 PolarHBondContact O-N 2.98Å; N151-H154 PolarHBondContact O-N 2.75Å; H154-F156 PolarHBondContact O-N 3.18Å; H154-L157 CarbonylContact O-C 3.58Å; H154-L157 PolarHBondContact O-N 3.27Å; H154-D158 VanDerWaalsContact O-CG 3.31Å; H154-D158 PolarHBondContact O-N 2.9Å |
| 155 | A | 98.2 | Very high | 96.5 | Very high | 57 Ų | 57 | 87.8 Ų | 87.8 | 47% | 0.471 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.2 | -32.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N151 K152 L159 | N151-A155 WeakPolarHBondContact O-CB 3.48Å; N151-A155 PolarHBondContact O-N 2.83Å; K152-A155 PolarHBondContact O-N 3.23Å; A155-L159 WeakPolarHBondContact O-CB 3.27Å; A155-L159 PolarHBondContact O-N 2.85Å |
| 156 | F | 97.9 | Very high | 96.1 | Very high | 109 Ų | 109 | 86.3 Ų | 86.3 | 48% | 0.478 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -69.5 | -42.1 | 171.8 | 173.1 | -105 | 0 | 0 | 0 | 112.4 | K152 F153 H154 D158 L159 L160 | K152-F156 WeakPolarHBondContact O-CB 3.48Å; K152-F156 PolarHBondContact O-N 3.12Å; F153-F156 WeakPolarHBondContact O-CB 3.47Å; F153-F156 PolarHBondContact O-N 3.01Å; H154-F156 PolarHBondContact O-N 3.18Å; F156-D158 VanDerWaalsContact C-N 3.3Å; F156-D158 PolarHBondContact O-N 3.4Å; F156-L159 PolarHBondContact O-N 3.08Å; F156-L160 HydrophobicContact CD1-CD1 4.3Å; F156-L160 HydrophobicContact CE1-CD1 3.62Å; F156-L160 HydrophobicContact CE1-CG 4.19Å; F156-L160 HydrophobicContact CE2-CD1 4.48Å; F156-L160 HydrophobicContact CE2-CD2 4.24Å; F156-L160 HydrophobicContact CE2-CG 4.29Å; F156-L160 HydrophobicContact CZ-CD1 3.74Å; F156-L160 HydrophobicContact CZ-CD2 4.14Å; F156-L160 HydrophobicContact CZ-CG 4.02Å; F156-L160 WeakPolarHBondContact O-CG 3.47Å; F156-L160 PolarHBondContact O-N 3.23Å |
| 157 | L | 96.8 | Very high | 96 | Very high | 67 Ų | 67 | 88.8 Ų | 88.8 | 35% | 0.351 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.9 | -33.9 | 173.2 | -67.7 | -178 | 0 | 0 | 0 | 112.4 | F153 H154 L160 K161 | F153-L157 HydrophobicContact CD1-CD1 4.15Å; F153-L157 HydrophobicContact CE1-CD1 3.57Å; F153-L157 HydrophobicContact CE1-CG 4.22Å; F153-L157 HydrophobicContact CE2-CD2 4.38Å; F153-L157 HydrophobicContact CE2-CG 4.35Å; F153-L157 HydrophobicContact CZ-CD1 3.78Å; F153-L157 HydrophobicContact CZ-CD2 4.22Å; F153-L157 HydrophobicContact CZ-CG 4.1Å; F153-L157 WeakPolarHBondContact O-CG 3.43Å; F153-L157 PolarHBondContact O-N 3.13Å; H154-L157 CarbonylContact O-C 3.58Å; H154-L157 PolarHBondContact O-N 3.27Å; L157-L160 PolarHBondContact O-N 2.93Å; L157-K161 WeakPolarHBondContact O-CE 3.38Å; L157-K161 WeakPolarHBondContact O-CG 3.46Å; L157-K161 PolarHBondContact O-N 3.48Å; L157-K161 VanDerWaalsContact O-N 3.11Å |
| 158 | D | 97.1 | Very high | 95.7 | Very high | 71 Ų | 71 | 88.1 Ų | 88.1 | 38% | 0.38 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.7 | -50.3 | 171.7 | -66.9 | -29.6 | 0 | 0 | 0 | 110.7 | H154 F156 L160 K161 D162 | H154-D158 VanDerWaalsContact O-CG 3.31Å; H154-D158 PolarHBondContact O-N 2.9Å; F156-D158 VanDerWaalsContact C-N 3.3Å; F156-D158 PolarHBondContact O-N 3.4Å; D158-L160 VanDerWaalsContact C-N 3.28Å; D158-L160 PolarHBondContact O-N 3.27Å; D158-K161 WeakPolarHBondContact O-CB 3.46Å; D158-K161 PolarHBondContact O-N 3.18Å; D158-K161 WeakPolarHBondContact OD1-CE 3.38Å; D158-K161 IonicContact OD1-NZ 3.62Å; D158-K161 PolarHBondContact OD1-NZ 3.09Å; D158-D162 PolarHBondContact O-N 3.49Å |
| 159 | L | 97.8 | Very high | 95.4 | Very high | 111 Ų | 111 | 86.3 Ų | 86.3 | 58% | 0.581 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -56.6 | -37.7 | 174.6 | -178.9 | 62.5 | 0 | 0 | 0 | 113.2 | A155 F156 A163 | A155-L159 WeakPolarHBondContact O-CB 3.27Å; A155-L159 PolarHBondContact O-N 2.85Å; F156-L159 PolarHBondContact O-N 3.08Å; L159-A163 WeakPolarHBondContact O-CB 3.5Å; L159-A163 PolarHBondContact O-N 2.91Å |
| 160 | L | 95.9 | Very high | 95.1 | Very high | 56 Ų | 56 | 86.4 Ų | 86.4 | 29% | 0.293 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.4 | -33.4 | 175.7 | -68.7 | -173.3 | 0 | 0 | 0 | 113.3 | F156 L157 D158 L165 | F156-L160 HydrophobicContact CD1-CD1 4.3Å; F156-L160 HydrophobicContact CE1-CD1 3.62Å; F156-L160 HydrophobicContact CE1-CG 4.19Å; F156-L160 HydrophobicContact CE2-CD1 4.48Å; F156-L160 HydrophobicContact CE2-CD2 4.24Å; F156-L160 HydrophobicContact CE2-CG 4.29Å; F156-L160 HydrophobicContact CZ-CD1 3.74Å; F156-L160 HydrophobicContact CZ-CD2 4.14Å; F156-L160 HydrophobicContact CZ-CG 4.02Å; F156-L160 WeakPolarHBondContact O-CG 3.47Å; F156-L160 PolarHBondContact O-N 3.23Å; L157-L160 PolarHBondContact O-N 2.93Å; D158-L160 VanDerWaalsContact C-N 3.28Å; D158-L160 PolarHBondContact O-N 3.27Å; L160-L165 HydrophobicContact CB-CD2 4.26Å; L160-L165 HydrophobicContact CD1-CD2 4.11Å; L160-L165 HydrophobicContact CD2-CD2 4.17Å; L160-L165 HydrophobicContact CG-CD2 4.42Å; L160-L165 WeakPolarHBondContact O-CB 3.48Å; L160-L165 PolarHBondContact O-N 3.34Å |
| 161 | K | 93.9 | Very high | 94.7 | Very high | 125 Ų | 125 | 88.6 Ų | 88.6 | 54% | 0.543 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.6 | -45.6 | 173 | -70.8 | 174.9 | -63.2 | 178.8 | 0 | 110.8 | L157 D158 A163 G164 | L157-K161 WeakPolarHBondContact O-CE 3.38Å; L157-K161 WeakPolarHBondContact O-CG 3.46Å; L157-K161 PolarHBondContact O-N 3.48Å; L157-K161 VanDerWaalsContact O-N 3.11Å; D158-K161 WeakPolarHBondContact O-CB 3.46Å; D158-K161 PolarHBondContact O-N 3.18Å; D158-K161 WeakPolarHBondContact OD1-CE 3.38Å; D158-K161 IonicContact OD1-NZ 3.62Å; D158-K161 PolarHBondContact OD1-NZ 3.09Å; K161-A163 VanDerWaalsContact C-N 3.31Å; K161-A163 PolarHBondContact O-N 2.96Å; K161-G164 PolarHBondContact O-N 2.84Å |
| 162 | D | 95.9 | Very high | 94.4 | Very high | 138 Ų | 138 | 87.9 Ų | 87.9 | 74% | 0.738 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67 | -32.6 | -179.3 | -67.9 | -11.8 | 0 | 0 | 0 | 112 | D158 G164 | D158-D162 PolarHBondContact O-N 3.49Å; D162-G164 PolarHBondContact O-N 3.42Å |
| 163 | A | 96.5 | Very high | 94 | Very high | 70 Ų | 70 | 84 Ų | 84 | 58% | 0.579 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -0.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L159 K161 L165 | L159-A163 WeakPolarHBondContact O-CB 3.5Å; L159-A163 PolarHBondContact O-N 2.91Å; K161-A163 VanDerWaalsContact C-N 3.31Å; K161-A163 PolarHBondContact O-N 2.96Å; A163-L165 PolarHBondContact O-N 3.42Å |
| 164 | G | 92.9 | Very high | 93.5 | Very high | 17 Ų | 17 | 82.9 Ų | 82.9 | 18% | 0.175 | 48% | 0.481 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76 | 18.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | K161 D162 G166 Q167 L168 | K161-G164 PolarHBondContact O-N 2.84Å; D162-G164 PolarHBondContact O-N 3.42Å; G164-G166 VanDerWaalsContact C-N 3.27Å; G164-G166 PolarHBondContact O-N 3.35Å; G164-Q167 VanDerWaalsContact C-OE1 3.27Å; G164-Q167 VanDerWaalsContact CA-OE1 3.27Å; G164-Q167 WeakPolarHBondContact O-CB 3.44Å; G164-Q167 PolarHBondContact O-N 3.12Å; G164-Q167 VanDerWaalsContact O-N 3.13Å; G164-Q167 PolarHBondContact O-OE1 2.94Å; G164-L168 PolarHBondContact O-N 3.44Å; G164-L168 VanDerWaalsContact O-N 3.08Å |
| 165 | L | 91.9 | Very high | 93 | Very high | 87 Ų | 87 | 81.3 Ų | 81.3 | 46% | 0.455 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.8 | -33.8 | -174.5 | -175.8 | 61.9 | 0 | 0 | 0 | 112.6 | L160 A163 L168 A169 | L160-L165 HydrophobicContact CB-CD2 4.26Å; L160-L165 HydrophobicContact CD1-CD2 4.11Å; L160-L165 HydrophobicContact CD2-CD2 4.17Å; L160-L165 HydrophobicContact CG-CD2 4.42Å; L160-L165 WeakPolarHBondContact O-CB 3.48Å; L160-L165 PolarHBondContact O-N 3.34Å; A163-L165 PolarHBondContact O-N 3.42Å; L165-L168 PolarHBondContact O-N 3.03Å; L165-A169 WeakPolarHBondContact O-CB 3.45Å; L165-A169 PolarHBondContact O-N 3Å |
| 166 | G | 88.4 | Confident | 92.2 | Very high | 46 Ų | 46 | 85 Ų | 85 | 47% | 0.474 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.2 | -36 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G164 A169 S170 | G164-G166 VanDerWaalsContact C-N 3.27Å; G164-G166 PolarHBondContact O-N 3.35Å; G166-A169 PolarHBondContact O-N 2.66Å; G166-S170 WeakPolarHBondContact O-CB 3.45Å; G166-S170 PolarHBondContact O-N 3.46Å |
| 167 | Q | 91.6 | Very high | 91.4 | Very high | 120 Ų | 120 | 83.4 Ų | 83.4 | 56% | 0.561 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -69.6 | -42.7 | 175.6 | -65.4 | 82.6 | -23 | 0 | 0 | 110.4 | G164 S170 M171 | G164-Q167 VanDerWaalsContact C-OE1 3.27Å; G164-Q167 VanDerWaalsContact CA-OE1 3.27Å; G164-Q167 WeakPolarHBondContact O-CB 3.44Å; G164-Q167 PolarHBondContact O-N 3.12Å; G164-Q167 VanDerWaalsContact O-N 3.13Å; G164-Q167 PolarHBondContact O-OE1 2.94Å; Q167-S170 PolarHBondContact O-N 2.98Å; Q167-M171 WeakPolarHBondContact O-CB 3.19Å; Q167-M171 WeakPolarHBondContact O-CG 3.47Å; Q167-M171 PolarHBondContact O-N 3.31Å |
| 168 | L | 90.6 | Very high | 90.8 | Very high | 106 Ų | 106 | 84.6 Ų | 84.6 | 56% | 0.555 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.7 | -40.9 | 173.6 | -68 | 173.9 | 0 | 0 | 0 | 112.1 | G164 L165 M171 A172 | G164-L168 PolarHBondContact O-N 3.44Å; G164-L168 VanDerWaalsContact O-N 3.08Å; L165-L168 PolarHBondContact O-N 3.03Å; L168-M171 PolarHBondContact O-N 3.43Å; L168-A172 WeakPolarHBondContact O-CB 3.34Å; L168-A172 PolarHBondContact O-N 3.08Å |
| 169 | A | 90.4 | Very high | 89.9 | Confident | 30 Ų | 30 | 88.8 Ų | 88.8 | 25% | 0.248 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -61.7 | -46.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L165 G166 M171 A172 G173 I174 | L165-A169 WeakPolarHBondContact O-CB 3.45Å; L165-A169 PolarHBondContact O-N 3Å; G166-A169 PolarHBondContact O-N 2.66Å; A169-M171 PolarHBondContact O-N 3.31Å; A169-A172 CarbonylContact O-C 3.59Å; A169-A172 WeakPolarHBondContact O-CA 3.41Å; A169-A172 WeakPolarHBondContact O-CB 3.16Å; A169-A172 PolarHBondContact O-N 3.06Å; A169-G173 PolarHBondContact O-N 3.38Å; A169-I174 CarbonylContact C-O 3.58Å; A169-I174 HydrophobicContact CB-CB 4.26Å; A169-I174 WeakPolarHBondContact O-CB 3.34Å; A169-I174 PolarHBondContact O-N 2.84Å |
| 170 | S | 90.3 | Very high | 88.9 | Confident | 63 Ų | 63 | 90.8 Ų | 90.8 | 44% | 0.441 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.4 | -36.8 | 177.4 | -171.3 | 0 | 0 | 0 | 0 | 112.5 | G166 Q167 A172 G173 I174 N175 | G166-S170 WeakPolarHBondContact O-CB 3.45Å; G166-S170 PolarHBondContact O-N 3.46Å; Q167-S170 PolarHBondContact O-N 2.98Å; S170-A172 VanDerWaalsContact C-N 3.28Å; S170-A172 PolarHBondContact O-N 3Å; S170-G173 WeakPolarHBondContact O-CA 3.27Å; S170-G173 PolarHBondContact O-N 2.94Å; S170-I174 WeakPolarHBondContact CA-O 3.08Å; S170-I174 PolarHBondContact N-O 3.05Å; S170-N175 PolarHBondContact OG-OD1 3.48Å |
| 171 | M | 90.8 | Very high | 87.7 | Confident | 163 Ų | 163 | 94.3 Ų | 94.3 | 80% | 0.803 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64.6 | -29.7 | 170.6 | -74.4 | 179.7 | 65.6 | 0 | 0 | 113.2 | Q167 L168 A169 G173 | Q167-M171 WeakPolarHBondContact O-CB 3.19Å; Q167-M171 WeakPolarHBondContact O-CG 3.47Å; Q167-M171 PolarHBondContact O-N 3.31Å; L168-M171 PolarHBondContact O-N 3.43Å; A169-M171 PolarHBondContact O-N 3.31Å; M171-G173 PolarHBondContact O-N 3.47Å |
| 172 | A | 91.3 | Very high | 86.3 | Confident | 75 Ų | 75 | 96.5 Ų | 96.5 | 62% | 0.62 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L168 A169 S170 | L168-A172 WeakPolarHBondContact O-CB 3.34Å; L168-A172 PolarHBondContact O-N 3.08Å; A169-A172 CarbonylContact O-C 3.59Å; A169-A172 WeakPolarHBondContact O-CA 3.41Å; A169-A172 WeakPolarHBondContact O-CB 3.16Å; A169-A172 PolarHBondContact O-N 3.06Å; S170-A172 VanDerWaalsContact C-N 3.28Å; S170-A172 PolarHBondContact O-N 3Å |
| 173 | G | 89.5 | Confident | 85 | Confident | 46 Ų | 46 | 93.1 Ų | 93.1 | 47% | 0.474 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 84.9 | 3.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | A169 S170 M171 N175 | A169-G173 PolarHBondContact O-N 3.38Å; S170-G173 WeakPolarHBondContact O-CA 3.27Å; S170-G173 PolarHBondContact O-N 2.94Å; M171-G173 PolarHBondContact O-N 3.47Å; G173-N175 PolarHBondContact O-ND2 3.27Å |
| 174 | I | 88.6 | Confident | 83.5 | Confident | 82 Ų | 82 | 99.1 Ų | 99.1 | 42% | 0.421 | 58% | 0.578 | S | S | . | * | trans | -89.8 | 116.9 | -179.3 | -53.8 | 173.3 | 0 | 0 | 0 | 109.3 | A169 S170 F179 | A169-I174 CarbonylContact C-O 3.58Å; A169-I174 HydrophobicContact CB-CB 4.26Å; A169-I174 WeakPolarHBondContact O-CB 3.34Å; A169-I174 PolarHBondContact O-N 2.84Å; S170-I174 WeakPolarHBondContact CA-O 3.08Å; S170-I174 PolarHBondContact N-O 3.05Å; I174-F179 HydrophobicContact CG2-CE2 3.62Å; I174-F179 HydrophobicContact CG2-CZ 4.08Å | ||
| 175 | N | 86.2 | Confident | 81.8 | Confident | 68 Ų | 68 | 103.6 Ų | 103.6 | 36% | 0.364 | 60% | 0.604 | S | S | . | * | trans | -118.1 | 162.7 | -174.3 | -64.6 | -77 | 0 | 0 | 0 | 112.2 | S170 G173 S177 D178 | S170-N175 PolarHBondContact OG-OD1 3.48Å; G173-N175 PolarHBondContact O-ND2 3.27Å; N175-S177 WeakPolarHBondContact CB-OG 3.37Å; N175-S177 PolarHBondContact O-N 3.27Å; N175-D178 PolarHBondContact N-OD2 2.84Å; N175-D178 WeakPolarHBondContact O-CB 3.47Å; N175-D178 PolarHBondContact O-N 2.96Å | ||
| 176 | T | 81.6 | Confident | 80.2 | Confident | 136 Ų | 136 | 107.8 Ų | 107.8 | 83% | 0.834 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -18.2 | 177.9 | 51.4 | 0 | 0 | 0 | 0 | 113.5 | D178 | T176-D178 PolarHBondContact O-N 2.98Š|
| 177 | S | 82.3 | Confident | 78.5 | Confident | 74 Ų | 74 | 113.2 Ų | 113.2 | 52% | 0.517 | 64% | 0.638 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.3 | -28 | 169.6 | 43.2 | 0 | 0 | 0 | 0 | 113.9 | N175 Q180 | N175-S177 WeakPolarHBondContact CB-OG 3.37Å; N175-S177 PolarHBondContact O-N 3.27Å; S177-Q180 WeakPolarHBondContact O-CG 3.1Å |
| 178 | D | 82.7 | Confident | 76.4 | Confident | 93 Ų | 93 | 112.1 Ų | 112.1 | 50% | 0.497 | 64% | 0.644 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.7 | -28.4 | -166.7 | -45.9 | -14.3 | 0 | 0 | 0 | 109.6 | N175 T176 Q180 | N175-D178 PolarHBondContact N-OD2 2.84Å; N175-D178 WeakPolarHBondContact O-CB 3.47Å; N175-D178 PolarHBondContact O-N 2.96Å; T176-D178 PolarHBondContact O-N 2.98Å; D178-Q180 VanDerWaalsContact C-N 3.3Å; D178-Q180 PolarHBondContact O-N 3.13Å |
| 179 | F | 78.9 | Confident | 74.6 | Confident | 158 Ų | 158 | 112.2 Ų | 112.2 | 69% | 0.693 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -86.2 | 66.4 | 164.4 | -57.8 | -74.8 | 0 | 0 | 0 | 110.7 | I174 | I174-F179 HydrophobicContact CG2-CE2 3.62Å; I174-F179 HydrophobicContact CG2-CZ 4.08Å |
| 180 | Q | 76.5 | Confident | 72.7 | Confident | 153 Ų | 153 | 117.2 Ų | 117.2 | 72% | 0.715 | 68% | 0.681 | S | S | * | * | trans | -55.9 | 147 | 168.2 | -65.4 | -165.2 | 0.8 | 0 | 0 | 110.3 | S177 D178 L182 | S177-Q180 WeakPolarHBondContact O-CG 3.1Å; D178-Q180 VanDerWaalsContact C-N 3.3Å; D178-Q180 PolarHBondContact O-N 3.13Å; Q180-L182 PolarHBondContact O-N 3.45Å | ||
| 181 | P | 72 | Confident | 70.7 | Confident | 131 Ų | 131 | 121 Ų | 121 | 85% | 0.851 | 70% | 0.702 | S | S | * | * | trans | -55.3 | 110 | 179.2 | -25.4 | 34.5 | 0 | 0 | 0 | 110.8 | G183 | P181-G183 PolarHBondContact O-N 3.49Š| ||
| 182 | L | 64.8 | Low | 68.3 | Low | 171 Ų | 171 | 116.5 Ų | 116.5 | 90% | 0.895 | 70% | 0.697 | S | S | * | * | trans | -55.9 | 129.1 | 178.8 | -69.6 | 172.4 | 0 | 0 | 0 | 108.7 | Q180 | Q180-L182 PolarHBondContact O-N 3.45Š| ||
| 183 | G | 67.3 | Low | 66.1 | Low | 67 Ų | 67 | 119.3 Ų | 119.3 | 69% | 0.691 | 71% | 0.708 | S | S | * | * | trans | -55.1 | 150.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P181 | P181-G183 PolarHBondContact O-N 3.49Š| ||
| 184 | K | 65 | Low | 63.5 | Low | 195 Ų | 195 | 125.9 Ų | 125.9 | 85% | 0.848 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -32.3 | 120.2 | -174.5 | -65.2 | -178.3 | -179.3 | -179 | 0 | 111.7 | Q186 | K184-Q186 PolarHBondContact O-N 2.92Š|
| 185 | P | 57.8 | Low | 61.2 | Low | 112 Ų | 112 | 129.3 Ų | 129.3 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | trans | -57.5 | 116.6 | -172.7 | 21.9 | -33 | 0 | 0 | 0 | 110.1 | L187 | P185-L187 PolarHBondContact O-N 3.44Š| ||
| 186 | Q | 57.6 | Low | 59.1 | Low | 174 Ų | 174 | 133.5 Ų | 133.5 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | trans | -74.7 | 97.8 | -179.4 | -73.4 | -166.6 | -24.6 | 0 | 0 | 109.5 | K184 S188 | K184-Q186 PolarHBondContact O-N 2.92Å; Q186-S188 PolarHBondContact O-N 3.02Å | ||
| 187 | L | 53.3 | Low | 56.8 | Low | 160 Ų | 160 | 131.6 Ų | 131.6 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | trans | -76.1 | 67.4 | 170 | -56 | -169.8 | 0 | 0 | 0 | 109.9 | P185 S189 | P185-L187 PolarHBondContact O-N 3.44Å; L187-S189 PolarHBondContact O-N 3.11Å | ||
| 188 | S | 48.1 | Very low | 54.9 | Low | 98 Ų | 98 | 132.9 Ų | 132.9 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | trans | -73.1 | 60.7 | 177 | -61.6 | 0 | 0 | 0 | 0 | 111.5 | Q186 | Q186-S188 PolarHBondContact O-N 3.02Š| ||
| 189 | S | 50.9 | Low | 52.7 | Low | 107 Ų | 107 | 133.1 Ų | 133.1 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -72.1 | 144.9 | 166.3 | -167.1 | 0 | 0 | 0 | 0 | 109.8 | L187 V191 | L187-S189 PolarHBondContact O-N 3.11Å; S189-V191 PolarHBondContact O-N 3.25Å | ||
| 190 | T | 51.5 | Low | 50.8 | Low | 136 Ų | 136 | 131.2 Ų | 131.2 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | -75.8 | 105.9 | -158.7 | 51.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 191 | V | 48.6 | Very low | 48.8 | Very low | 143 Ų | 143 | 130.1 Ų | 130.1 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -137.6 | 87.3 | 164 | -172 | 0 | 0 | 0 | 0 | 111.5 | S189 | S189-V191 PolarHBondContact O-N 3.25Š| ||
| 192 | G | 40.6 | Very low | 47 | Very low | 68 Ų | 68 | 130.1 Ų | 130.1 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | trans | 74.5 | 153.4 | 159.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 193 | P | 45.3 | Very low | 45.3 | Very low | 133 Ų | 133 | 127 Ų | 127 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -84.7 | 117.2 | 170 | 32.5 | -30.3 | 0 | 0 | 0 | 110.6 | ||||
| 194 | Q | 34.4 | Very low | 43.6 | Very low | 184 Ų | 184 | 127.3 Ų | 127.3 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -92.3 | 109.3 | 162.7 | -173.4 | 175.6 | -8.4 | 0 | 0 | 109.3 | ||||
| 195 | Q | 40.7 | Very low | 42.1 | Very low | 155 Ų | 155 | 127 Ų | 127 | 72% | 0.724 | 80% | 0.799 | S | S | * | * | trans | -71.7 | 138.9 | 165 | -83.1 | -179.4 | -89.4 | 0 | 0 | 110.4 | ||||
| 196 | E | 41.2 | Very low | 40.9 | Very low | 155 Ų | 155 | 131.6 Ų | 131.6 | 72% | 0.724 | 81% | 0.807 | S | S | * | * | trans | 61 | 140.7 | 149.7 | -64.7 | 160.3 | -130.2 | 0 | 0 | 117.4 | ||||
| 197 | A | 33.3 | Very low | 39.8 | Very low | 96 Ų | 96 | 133.9 Ų | 133.9 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | cis | -138.7 | 156.1 | 29.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 198 | A | 43.1 | Very low | 38.5 | Very low | 101 Ų | 101 | 132.4 Ų | 132.4 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | -81.1 | 133.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 199 | A | 35.2 | Very low | 37.8 | Very low | 99 Ų | 99 | 133.1 Ų | 133.1 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -143.5 | 75.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | T201 | A199-T201 PolarHBondContact O-N 3.43Š| ||
| 200 | S | 38.9 | Very low | 36.9 | Very low | 118 Ų | 118 | 136.4 Ų | 136.4 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -85.8 | 106.2 | 177.2 | -61.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 201 | T | 34.8 | Very low | 35.9 | Very low | 129 Ų | 129 | 135 Ų | 135 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | -156 | 100.2 | 155.8 | 9.2 | 0 | 0 | 0 | 0 | 109.1 | A199 | A199-T201 PolarHBondContact O-N 3.43Š| ||
| 202 | T | 34.4 | Very low | 35.1 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | 76.1 | 106.2 | 88 | -59.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 203 | A | 29.3 | Very low | 34.7 | Very low | 106 Ų | 106 | 137.3 Ų | 137.3 | 88% | 0.876 | 80% | 0.804 | S | S | * | * | trans | -135.1 | 51.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q205 | A203-Q205 PolarHBondContact O-N 2.9Š| ||
| 204 | G | 32 | Very low | 34.2 | Very low | 73 Ų | 73 | 139.9 Ų | 139.9 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | -75 | 118.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 205 | Q | 33.2 | Very low | 34.1 | Very low | 190 Ų | 190 | 137.2 Ų | 137.2 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | -103 | 113.5 | -174.8 | -176.3 | 179.1 | 76.4 | 0 | 0 | 111.1 | A203 | A203-Q205 PolarHBondContact O-N 2.9Š| ||
| 206 | F | 32.3 | Very low | 33.7 | Very low | 208 Ų | 208 | 134.2 Ų | 134.2 | 91% | 0.912 | 81% | 0.808 | S | S | * | * | trans | -134.1 | 151.2 | 168.1 | -91.8 | -90.4 | 0 | 0 | 0 | 110.5 | ||||
| 207 | R | 34.6 | Very low | 33.3 | Very low | 221 Ų | 221 | 132.2 Ų | 132.2 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | trans | -77.2 | 174.1 | 171.6 | -56.5 | -175.8 | 173.9 | 174.1 | -2.5 | 109.5 | ||||
| 208 | D | 27.2 | Very low | 33.2 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 70% | 0.695 | 81% | 0.813 | S | S | * | * | cis | -170.4 | 175.4 | 39.3 | -131.6 | -37.3 | 0 | 0 | 0 | 114.9 | ||||
| 209 | V | 32.6 | Very low | 32.6 | Very low | 113 Ų | 113 | 135 Ų | 135 | 69% | 0.685 | 81% | 0.81 | S | S | * | * | trans | 55.1 | 98.9 | 156.2 | -177.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 210 | Q | 32.6 | Very low | 32.4 | Very low | 176 Ų | 176 | 134.3 Ų | 134.3 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | 30.1 | 119.8 | 121.2 | -176.2 | -174.8 | 5.5 | 0 | 0 | 120.7 | |||||
| 211 | A | 30.6 | Very low | 32 | Very low | 106 Ų | 106 | 140.2 Ų | 140.2 | 88% | 0.876 | 82% | 0.817 | S | S | * | * | trans | -147.4 | 138.7 | 145.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 212 | Q | 30 | Very low | 31.9 | Very low | 135 Ų | 135 | 140.8 Ų | 140.8 | 63% | 0.631 | 82% | 0.82 | S | S | * | * | trans | -111.4 | 139.1 | -177.8 | 174.6 | -172.8 | 14.1 | 0 | 0 | 110.1 | H214 | Q212-H214 PolarHBondContact NE2-NE2 2.64Š| ||
| 213 | S | 33.4 | Very low | 32.2 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | -160.2 | 155.8 | 160.4 | -86.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 214 | H | 34.1 | Very low | 33 | Very low | 186 Ų | 186 | 141 Ų | 141 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | trans | -124.1 | 146.7 | -169.1 | -53.1 | -115.7 | 0 | 0 | 0 | 111.4 | Q212 | Q212-H214 PolarHBondContact NE2-NE2 2.64Š| ||
| 215 | S | 32.9 | Very low | 33.1 | Very low | 128 Ų | 128 | 147.3 Ų | 147.3 | 90% | 0.895 | 82% | 0.82 | S | S | * | * | trans | -165.4 | 154.1 | 141.6 | 57 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 216 | A | 32.6 | Very low | 33.7 | Very low | 93 Ų | 93 | 142.9 Ų | 142.9 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -144.5 | 175.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 217 | S | 31.3 | Very low | 34.1 | Very low | 112 Ų | 112 | 139.4 Ų | 139.4 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | trans | 69.1 | 157.4 | 169.5 | -89.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 218 | L | 31.6 | Very low | 33.8 | Very low | 163 Ų | 163 | 132 Ų | 132 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | cis | -141.4 | 164.2 | -7 | -85.4 | 122.1 | 0 | 0 | 0 | 106.6 | ||||
| 219 | A | 30.7 | Very low | 34.1 | Very low | 93 Ų | 93 | 131.4 Ų | 131.4 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | cis | -172.6 | 165 | -21 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 220 | G | 31.5 | Very low | 34.1 | Very low | 85 Ų | 85 | 130.4 Ų | 130.4 | 88% | 0.876 | 82% | 0.815 | S | S | * | * | trans | 170 | 103.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 221 | R | 30.4 | Very low | 34.2 | Very low | 241 Ų | 241 | 125.9 Ų | 125.9 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | -119.9 | 106.1 | -168.9 | 179 | -160.8 | -177.9 | -162.8 | 3.3 | 112.4 | ||||
| 222 | V | 32.2 | Very low | 34.2 | Very low | 141 Ų | 141 | 131 Ų | 131 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | trans | -143.8 | 134.4 | 151.6 | -175 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 223 | T | 40.9 | Very low | 34.4 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 77% | 0.767 | 82% | 0.818 | S | S | * | * | trans | -141.5 | 147.8 | 168.6 | 53.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 224 | P | 46.5 | Very low | 34.6 | Very low | 116 Ų | 116 | 133.1 Ų | 133.1 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | -150.7 | 142.4 | 84.3 | 37.4 | -18 | 0 | 0 | 0 | 117.9 | |||||
| 225 | F | 34.8 | Very low | 34.6 | Very low | 207 Ų | 207 | 130.5 Ų | 130.5 | 91% | 0.908 | 81% | 0.812 | S | S | * | * | trans | 69.6 | 152.9 | 147.5 | -105.9 | -120.2 | 0 | 0 | 0 | 121.9 | ||||
| 226 | P | 45.4 | Very low | 34.3 | Very low | 97 Ų | 97 | 130.3 Ų | 130.3 | 63% | 0.63 | 81% | 0.809 | S | S | * | * | trans | -112.9 | 163 | -164.2 | 41.7 | -31.1 | 0 | 0 | 0 | 114.7 | ||||
| 227 | P | 40.2 | Very low | 34.3 | Very low | 134 Ų | 134 | 134.6 Ų | 134.6 | 87% | 0.87 | 81% | 0.813 | S | S | * | * | -117 | 167.3 | 115.1 | 35.7 | -32.7 | 0 | 0 | 0 | 109.7 | |||||
| 228 | G | 28.9 | Very low | 34.6 | Very low | 66 Ų | 66 | 134.8 Ų | 134.8 | 68% | 0.68 | 81% | 0.812 | S | S | * | * | cis | 149.4 | 135.4 | 9.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | A230 | G228-A230 PolarHBondContact O-N 2.83Å; G228-A230 VanDerWaalsContact O-N 3.15Å | ||
| 229 | A | 32.5 | Very low | 34.9 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 98% | 0.975 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 116.4 | -165.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 230 | A | 34.2 | Very low | 35.1 | Very low | 92 Ų | 92 | 133.2 Ų | 133.2 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 119 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | G228 | G228-A230 PolarHBondContact O-N 2.83Å; G228-A230 VanDerWaalsContact O-N 3.15Å |
| 231 | A | 34.1 | Very low | 35.3 | Very low | 80 Ų | 80 | 136.6 Ų | 136.6 | 66% | 0.661 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 139.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | F233 | A231-F233 HydrophobicContact CB-CE2 4.49Å; A231-F233 PolarHBondContact O-N 3.21Å; A231-F233 VanDerWaalsContact O-N 3.16Å |
| 232 | F | 31.2 | Very low | 35.4 | Very low | 214 Ų | 214 | 133.3 Ų | 133.3 | 94% | 0.939 | 80% | 0.797 | S | S | * | * | trans | -72.1 | 106.2 | 176.2 | -71.4 | -88.5 | 0 | 0 | 0 | 110.9 | ||||
| 233 | F | 33.5 | Very low | 35.6 | Very low | 182 Ų | 182 | 135.3 Ų | 135.3 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | trans | -93.3 | 124 | 162.1 | -72.5 | -85.5 | 0 | 0 | 0 | 109.3 | A231 T235 | A231-F233 HydrophobicContact CB-CE2 4.49Å; A231-F233 PolarHBondContact O-N 3.21Å; A231-F233 VanDerWaalsContact O-N 3.16Å; F233-T235 PolarHBondContact O-N 2.98Å | ||
| 234 | P | 37.8 | Very low | 35.3 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | trans | -77 | 109.5 | 174.1 | 29.7 | -32.1 | 0 | 0 | 0 | 110.5 | C236 | P234-C236 PolarHBondContact O-N 3.14Š| ||
| 235 | T | 32.7 | Very low | 34.5 | Very low | 132 Ų | 132 | 142.3 Ų | 142.3 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 119.6 | 173.4 | -56.3 | 0 | 0 | 0 | 0 | 110.5 | F233 | F233-T235 PolarHBondContact O-N 2.98Š|
| 236 | C | 27.5 | Very low | 34.4 | Very low | 123 Ų | 123 | 140.3 Ų | 140.3 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70 | 130.5 | 172.1 | -61.5 | 0 | 0 | 0 | 0 | 111.2 | P234 | P234-C236 PolarHBondContact O-N 3.14Š|
| 237 | Q | 31.8 | Very low | 34.1 | Very low | 184 Ų | 184 | 141.9 Ų | 141.9 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 146.7 | 167.4 | -73.3 | -176.1 | -31.2 | 0 | 0 | 111.1 | ||
| 238 | P | 39.1 | Very low | 33.6 | Very low | 116 Ų | 116 | 142 Ų | 142 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 155.6 | 169.7 | 32.4 | -34.6 | 0 | 0 | 0 | 111.7 | ||
| 239 | P | 37 | Very low | 33.9 | Very low | 131 Ų | 131 | 144.1 Ų | 144.1 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -72 | 146.9 | -174.2 | 29.2 | -35.7 | 0 | 0 | 0 | 113.7 | ||
| 240 | S | 35.8 | Very low | 33.8 | Very low | 91 Ų | 91 | 143.1 Ų | 143.1 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 142.5 | 179.9 | 49.4 | 0 | 0 | 0 | 0 | 113.6 | H242 | S240-H242 PolarHBondContact O-N 2.63Š|
| 241 | L | 34.3 | Very low | 33.7 | Very low | 157 Ų | 157 | 147.6 Ų | 147.6 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | -79.3 | 106.9 | -178.4 | -166.1 | 169.7 | 0 | 0 | 0 | 110.4 | K243 | L241-K243 HydrophobicContact CD2-CB 4.04Š| ||
| 242 | H | 33.5 | Very low | 33.8 | Very low | 171 Ų | 171 | 150.5 Ų | 150.5 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | trans | -94.1 | 131.8 | 169.4 | -73.2 | -82.6 | 0 | 0 | 0 | 111 | S240 | S240-H242 PolarHBondContact O-N 2.63Š| ||
| 243 | K | 36.9 | Very low | 33.9 | Very low | 183 Ų | 183 | 149.4 Ų | 149.4 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | trans | -136.8 | 116.1 | -179.4 | 175.8 | -174.9 | -177.9 | -178.4 | 0 | 107.4 | L241 | L241-K243 HydrophobicContact CD2-CB 4.04Š| ||
| 244 | D | 33.5 | Very low | 34 | Very low | 165 Ų | 165 | 147.7 Ų | 147.7 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | trans | -165.2 | 159.8 | 150.7 | -117.2 | -26.4 | 0 | 0 | 0 | 114.6 | ||||
| 245 | R | 30.7 | Very low | 33.6 | Very low | 224 Ų | 224 | 145 Ų | 145 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | trans | 63.6 | 85.7 | 164 | -155.5 | 168.7 | -168.8 | 165.7 | 2.5 | 118.3 | ||||
| 246 | L | 31.9 | Very low | 33.6 | Very low | 164 Ų | 164 | 147.1 Ų | 147.1 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | trans | -55.1 | 153 | 150 | -109.6 | 70.8 | 0 | 0 | 0 | 111.2 | ||||
| 247 | V | 38.4 | Very low | 33.7 | Very low | 130 Ų | 130 | 148.9 Ų | 148.9 | 79% | 0.788 | 79% | 0.794 | S | S | * | * | trans | -125 | 130.2 | 152.2 | -100.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 248 | D | 29.5 | Very low | 33.6 | Very low | 138 Ų | 138 | 144.4 Ų | 144.4 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | trans | -86.2 | 141.4 | -177.9 | -166.6 | -7.2 | 0 | 0 | 0 | 110.2 | ||||
| 249 | V | 36.1 | Very low | 33.2 | Very low | 110 Ų | 110 | 144 Ų | 144 | 67% | 0.667 | 80% | 0.795 | S | S | * | * | trans | -137.9 | 80.6 | 178.7 | -175.2 | 0 | 0 | 0 | 0 | 108.6 | F251 | V249-F251 HydrophobicContact CG1-CD2 3.92Å; V249-F251 HydrophobicContact CG1-CE2 3.69Å | ||
| 250 | T | 29.6 | Very low | 32.9 | Very low | 96 Ų | 96 | 142.3 Ų | 142.3 | 59% | 0.589 | 79% | 0.793 | S | S | * | * | trans | -74.5 | 127 | 171.5 | -37.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 251 | F | 33.6 | Very low | 33.5 | Very low | 186 Ų | 186 | 144 Ų | 144 | 82% | 0.816 | 80% | 0.801 | S | S | * | * | trans | -115.9 | 126.3 | 161.1 | -86.8 | -81.8 | 0 | 0 | 0 | 109.4 | V249 | V249-F251 HydrophobicContact CG1-CD2 3.92Å; V249-F251 HydrophobicContact CG1-CE2 3.69Å | ||
| 252 | N | 35.1 | Very low | 33.2 | Very low | 142 Ų | 142 | 141 Ų | 141 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | trans | -89.3 | 143.3 | -176.5 | -67.7 | -65.7 | 0 | 0 | 0 | 111.4 | ||||
| 253 | H | 33.7 | Very low | 33.5 | Very low | 191 Ų | 191 | 141.1 Ų | 141.1 | 88% | 0.884 | 81% | 0.805 | S | S | * | * | trans | -87.6 | 128.3 | 165.1 | -71.5 | -81.6 | 0 | 0 | 0 | 110.7 | ||||
| 254 | T | 36.3 | Very low | 33.7 | Very low | 146 Ų | 146 | 138.7 Ų | 138.7 | 90% | 0.896 | 81% | 0.808 | S | S | * | * | trans | -141.7 | 156 | 155.9 | 38.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 255 | G | 28.8 | Very low | 33.5 | Very low | 66 Ų | 66 | 134 Ų | 134 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | trans | -158.5 | -177 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 256 | L | 33.1 | Very low | 33.6 | Very low | 176 Ų | 176 | 132.2 Ų | 132.2 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | 68.3 | 142.9 | -165.4 | -54.5 | 168.1 | 0 | 0 | 0 | 111.4 | ||||
| 257 | D | 28 | Very low | 33.7 | Very low | 159 Ų | 159 | 132.8 Ų | 132.8 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | cis | -133.3 | -177.2 | 33.5 | -151.9 | -10.8 | 0 | 0 | 0 | 114.3 | ||||
| 258 | A | 30.6 | Very low | 33.6 | Very low | 91 Ų | 91 | 134.2 Ų | 134.2 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | trans | -101.4 | 151.7 | -163.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 259 | A | 30.1 | Very low | 34.4 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 88% | 0.876 | 80% | 0.795 | S | S | * | * | trans | -154 | 118.9 | 154.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 260 | A | 31.3 | Very low | 34.4 | Very low | 97 Ų | 97 | 134.5 Ų | 134.5 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | -135.9 | 169.7 | 162.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 261 | P | 48.1 | Very low | 34.5 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | cis | -133.8 | 177 | 8.2 | 42.8 | -27.5 | 0 | 0 | 0 | 115 | ||||
| 262 | A | 28 | Very low | 34.4 | Very low | 94 Ų | 94 | 139.8 Ų | 139.8 | 78% | 0.777 | 81% | 0.808 | S | S | * | * | trans | -174 | 120.8 | 135.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 263 | L | 40.6 | Very low | 34.4 | Very low | 175 Ų | 175 | 142 Ų | 142 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | trans | -130.5 | 141 | 150.8 | -78.2 | 174.3 | 0 | 0 | 0 | 106.3 | ||||
| 264 | P | 40 | Very low | 34.6 | Very low | 131 Ų | 131 | 143.6 Ų | 143.6 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | -150.6 | 166.7 | 118.3 | 38.5 | -23 | 0 | 0 | 0 | 115 | |||||
| 265 | G | 29.2 | Very low | 34.9 | Very low | 68 Ų | 68 | 142.3 Ų | 142.3 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | 98.8 | 111.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 266 | E | 34 | Very low | 35.1 | Very low | 186 Ų | 186 | 143.3 Ų | 143.3 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | cis | 85.8 | 144.7 | 38 | -59.4 | -70.6 | 153.3 | 0 | 0 | 115 | ||||
| 267 | E | 33.7 | Very low | 35.2 | Very low | 176 Ų | 176 | 141.1 Ų | 141.1 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | 65.5 | 99 | 171 | -61.2 | -168.4 | 112.2 | 0 | 0 | 120.6 | ||||
| 268 | E | 37 | Very low | 35.4 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | trans | -85.6 | 134.6 | 137.1 | 163 | 173.9 | -167 | 0 | 0 | 108.5 | H270 | E268-H270 IonicContact OE1-CE1 3.75Å; E268-H270 PolarHBondContact OE1-CE1 2.76Å; E268-H270 VanDerWaalsContact OE1-CE1 3.24Å; E268-H270 IonicContact OE1-ND1 2.73Å; E268-H270 PolarHBondContact OE1-ND1 2.87Å | ||
| 269 | P | 44.8 | Very low | 36.3 | Very low | 108 Ų | 108 | 143.4 Ų | 143.4 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | -140.1 | 155.1 | 125.7 | 35.2 | -21.9 | 0 | 0 | 0 | 115 | |||||
| 270 | H | 36.2 | Very low | 36.5 | Very low | 147 Ų | 147 | 145.6 Ų | 145.6 | 68% | 0.681 | 80% | 0.796 | S | S | * | * | trans | -67.3 | 156.9 | -174.3 | -24.7 | -64.2 | 0 | 0 | 0 | 115 | E268 | E268-H270 IonicContact OE1-CE1 3.75Å; E268-H270 PolarHBondContact OE1-CE1 2.76Å; E268-H270 VanDerWaalsContact OE1-CE1 3.24Å; E268-H270 IonicContact OE1-ND1 2.73Å; E268-H270 PolarHBondContact OE1-ND1 2.87Å | ||
| 271 | Q | 32.2 | Very low | 36.7 | Very low | 173 Ų | 173 | 146.3 Ų | 146.3 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | trans | -152.5 | 133 | 144.5 | -128.7 | 157.3 | 90.5 | 0 | 0 | 114.5 | ||||
| 272 | Y | 30.9 | Very low | 35.9 | Very low | 219 Ų | 219 | 143.4 Ų | 143.4 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | trans | -79.4 | 137.7 | 173.8 | -91.8 | -115.4 | 0 | 0 | 0 | 111.1 | ||||
| 273 | F | 35.5 | Very low | 36.1 | Very low | 189 Ų | 189 | 144.2 Ų | 144.2 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | trans | -142.4 | 105.2 | 156.8 | -88.5 | -73.7 | 0 | 0 | 0 | 113.9 | ||||
| 274 | R | 38.7 | Very low | 35.8 | Very low | 225 Ų | 225 | 144.6 Ų | 144.6 | 85% | 0.849 | 79% | 0.785 | S | S | * | * | trans | -151.3 | 127.3 | 153.9 | -152 | -155.8 | 175.1 | -172.8 | -0.9 | 106 | ||||
| 275 | P | 42.6 | Very low | 35.4 | Very low | 119 Ų | 119 | 146.8 Ų | 146.8 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | -135.7 | 175.3 | 90.4 | 42.4 | -29.2 | 0 | 0 | 0 | 110.6 | |||||
| 276 | A | 31.7 | Very low | 35.9 | Very low | 87 Ų | 87 | 147 Ų | 147 | 72% | 0.719 | 77% | 0.774 | S | S | * | * | -147.1 | 167.1 | 73.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 277 | T | 36.1 | Very low | 36.1 | Very low | 130 Ų | 130 | 147.3 Ų | 147.3 | 80% | 0.798 | 78% | 0.776 | S | S | * | * | trans | -121.9 | 148.7 | -176.7 | 43.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 278 | Q | 32.9 | Very low | 36.2 | Very low | 188 Ų | 188 | 147 Ų | 147 | 88% | 0.879 | 77% | 0.772 | S | S | * | * | -160.3 | 150.5 | 124 | -110.4 | -162.8 | -62.3 | 0 | 0 | 111.5 | |||||
| 279 | P | 48.2 | Very low | 35.9 | Very low | 110 Ų | 110 | 144.1 Ų | 144.1 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | trans | -108.6 | 173.7 | 173.8 | 41.1 | -33 | 0 | 0 | 0 | 112.5 | ||||
| 280 | D | 34 | Very low | 35.4 | Very low | 152 Ų | 152 | 148.1 Ų | 148.1 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | -152.8 | 164.5 | 141.4 | -144.6 | -21.7 | 0 | 0 | 0 | 112.6 | ||||
| 281 | S | 37.6 | Very low | 35.2 | Very low | 111 Ų | 111 | 147.6 Ų | 147.6 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -29.9 | 162.9 | 172.2 | -55.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 282 | G | 30.1 | Very low | 35.2 | Very low | 64 Ų | 64 | 147.6 Ų | 147.6 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | cis | 148.5 | 176.2 | 2.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 283 | S | 32.4 | Very low | 35.4 | Very low | 112 Ų | 112 | 146.6 Ų | 146.6 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | trans | 67.9 | 124.3 | -175.4 | -163.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 284 | E | 33.3 | Very low | 36 | Very low | 183 Ų | 183 | 143.4 Ų | 143.4 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | cis | 97.4 | 134.5 | 30.4 | -70.1 | -160 | 135.9 | 0 | 0 | 116.3 | ||||
| 285 | H | 33.1 | Very low | 36 | Very low | 176 Ų | 176 | 142.3 Ų | 142.3 | 82% | 0.815 | 78% | 0.778 | S | S | * | * | trans | 90.5 | 149.9 | 147.8 | -160 | 68.3 | 0 | 0 | 0 | 122.5 | ||||
| 286 | S | 38.7 | Very low | 35.4 | Very low | 74 Ų | 74 | 139.6 Ų | 139.6 | 52% | 0.517 | 77% | 0.771 | S | S | . | * | trans | 87.3 | 97.9 | 161.7 | -112.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 287 | Q | 38.5 | Very low | 35.8 | Very low | 191 Ų | 191 | 144.2 Ų | 144.2 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | trans | -63.9 | 152.2 | 147.9 | -59.4 | 156.2 | -82 | 0 | 0 | 110 | ||||
| 288 | K | 35.4 | Very low | 35.7 | Very low | 171 Ų | 171 | 143.7 Ų | 143.7 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | trans | -151.7 | 118.6 | 159.1 | -111.3 | 156.5 | -171 | 165.8 | 0 | 111.4 | ||||
| 289 | S | 31 | Very low | 36 | Very low | 97 Ų | 97 | 145.4 Ų | 145.4 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | trans | -72.9 | 158.7 | 159.9 | 47.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 290 | F | 34.5 | Very low | 35.2 | Very low | 193 Ų | 193 | 148.7 Ų | 148.7 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -128.9 | 122.1 | 163.9 | -87.2 | -82 | 0 | 0 | 0 | 109 | ||||
| 291 | D | 31.2 | Very low | 35.2 | Very low | 135 Ų | 135 | 147.1 Ų | 147.1 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | -86.9 | 170 | -177.1 | -87.1 | -66.4 | 0 | 0 | 0 | 113.5 | ||||
| 292 | H | 32.2 | Very low | 35.2 | Very low | 173 Ų | 173 | 150.3 Ų | 150.3 | 80% | 0.801 | 79% | 0.786 | S | S | * | * | trans | -42.1 | 140.8 | 178.3 | -81.2 | -96.4 | 0 | 0 | 0 | 116.8 | ||||
| 293 | F | 36.5 | Very low | 35.7 | Very low | 199 Ų | 199 | 153.2 Ų | 153.2 | 87% | 0.873 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 120 | 149.3 | -73.3 | -83.7 | 0 | 0 | 0 | 110.3 | ||
| 294 | P | 47.6 | Very low | 35.7 | Very low | 121 Ų | 121 | 153.5 Ų | 153.5 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -96 | 123.4 | 168.8 | 33.4 | -28.5 | 0 | 0 | 0 | 111.3 | ||
| 295 | F | 39.1 | Very low | 35.7 | Very low | 202 Ų | 202 | 154.2 Ų | 154.2 | 89% | 0.886 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 116.4 | 171.5 | -125.9 | -84.9 | 0 | 0 | 0 | 110.4 | ||
| 296 | G | 29.6 | Very low | 35.7 | Very low | 62 Ų | 62 | 155.4 Ų | 155.4 | 64% | 0.639 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 141.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 297 | K | 39.8 | Very low | 35.4 | Very low | 184 Ų | 184 | 158.3 Ų | 158.3 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | trans | -173.8 | 91.9 | 154.9 | -100.2 | 149.4 | -173.8 | 179.6 | 0 | 108.5 | ||||
| 298 | T | 34.6 | Very low | 35 | Very low | 120 Ų | 120 | 157.7 Ų | 157.7 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | 58.1 | 95.9 | 95.1 | 62.7 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 299 | F | 38.7 | Very low | 34.8 | Very low | 223 Ų | 223 | 158.1 Ų | 158.1 | 98% | 0.978 | 81% | 0.806 | S | S | * | * | trans | -137.6 | 158.3 | 132.3 | -95.7 | -71.4 | 0 | 0 | 0 | 109.4 | ||||
| 300 | Q | 32.1 | Very low | 34.8 | Very low | 180 Ų | 180 | 158.1 Ų | 158.1 | 84% | 0.841 | 81% | 0.811 | S | S | * | * | trans | -132.6 | 126.6 | -162.1 | 177.2 | -170.9 | 63 | 0 | 0 | 109.9 | ||||
| 301 | S | 34 | Very low | 34.7 | Very low | 119 Ų | 119 | 154 Ų | 154 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -142.8 | 121.6 | 168.4 | 49.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 302 | Q | 37.2 | Very low | 34.8 | Very low | 177 Ų | 177 | 152 Ų | 152 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 152 | 178.2 | -80.8 | -169.3 | -28.6 | 0 | 0 | 111.7 | ||
| 303 | P | 40.8 | Very low | 35 | Very low | 125 Ų | 125 | 149.6 Ų | 149.6 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 137.5 | 174.4 | 31.9 | -34.2 | 0 | 0 | 0 | 111.2 | ||
| 304 | S | 31.6 | Very low | 34.9 | Very low | 118 Ų | 118 | 150.7 Ų | 150.7 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 121.3 | 168.2 | -169.1 | 0 | 0 | 0 | 0 | 110.1 | ||
| 305 | R | 33.1 | Very low | 34.3 | Very low | 198 Ų | 198 | 150.7 Ų | 150.7 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -83 | 139.4 | 162.2 | -87.4 | 178.5 | 156.6 | -129.2 | -7.2 | 108.9 | E307 | R305-E307 IonicContact CZ-OE2 2.71Å; R305-E307 IonicContact NH1-OE2 2.68Å; R305-E307 PolarHBondContact NH1-OE2 2.85Å |
| 306 | Q | 34.6 | Very low | 34 | Very low | 201 Ų | 201 | 146 Ų | 146 | 94% | 0.939 | 79% | 0.789 | S | S | * | * | trans | -137.1 | 134.9 | 149.6 | -118.8 | 176.5 | -7.6 | 0 | 0 | 109.2 | ||||
| 307 | E | 30.7 | Very low | 34.1 | Very low | 136 Ų | 136 | 148.6 Ų | 148.6 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | trans | -151.8 | 117.2 | -163 | 178.5 | 170.7 | -140.2 | 0 | 0 | 108.3 | R305 | R305-E307 IonicContact CZ-OE2 2.71Å; R305-E307 IonicContact NH1-OE2 2.68Å; R305-E307 PolarHBondContact NH1-OE2 2.85Å | ||
| 308 | M | 30.7 | Very low | 33.9 | Very low | 177 Ų | 177 | 149.8 Ų | 149.8 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | -172.1 | 118.8 | 167 | -98.3 | 158.9 | -161.7 | 0 | 0 | 104.4 | ||||
| 309 | E | 31 | Very low | 33.8 | Very low | 181 Ų | 181 | 153.4 Ų | 153.4 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | 59.2 | 124.8 | 65.5 | -61 | -162.9 | 162.5 | 0 | 0 | 112.3 | |||||
| 310 | A | 31.8 | Very low | 33.5 | Very low | 96 Ų | 96 | 146 Ų | 146 | 79% | 0.793 | 79% | 0.794 | S | S | * | * | cis | -150.5 | -170.6 | -2.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 311 | S | 33 | Very low | 33.6 | Very low | 107 Ų | 107 | 145.6 Ų | 145.6 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | cis | -168.5 | 154.4 | 22.4 | 64.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 312 | S | 33.1 | Very low | 33.4 | Very low | 92 Ų | 92 | 145.7 Ų | 145.7 | 64% | 0.643 | 80% | 0.798 | S | S | * | * | trans | 53.3 | 110.2 | 136.1 | -158.3 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 313 | N | 36.7 | Very low | 33.3 | Very low | 124 Ų | 124 | 144.4 Ų | 144.4 | 66% | 0.663 | 80% | 0.796 | S | S | * | * | 177.9 | 140.6 | 97.1 | -97.2 | -72 | 0 | 0 | 0 | 114.6 | |||||
| 314 | R | 34.1 | Very low | 32.9 | Very low | 221 Ų | 221 | 142.9 Ų | 142.9 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | 28.9 | 136 | 139.1 | -52 | 173.4 | -176.5 | -137.5 | -4.8 | 119.3 | ||||
| 315 | S | 34.3 | Very low | 32.9 | Very low | 121 Ų | 121 | 143.4 Ų | 143.4 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | cis | -157.5 | 170.9 | 45.8 | -57.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 316 | S | 33 | Very low | 33 | Very low | 103 Ų | 103 | 141 Ų | 141 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | trans | -96 | 154.1 | -177.1 | 55.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 317 | S | 30.5 | Very low | 33.1 | Very low | 118 Ų | 118 | 136 Ų | 136 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | trans | -141.5 | 152.3 | 143 | 60.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 318 | Y | 35.5 | Very low | 33.2 | Very low | 208 Ų | 208 | 135.8 Ų | 135.8 | 82% | 0.816 | 77% | 0.771 | S | S | * | * | trans | -121.4 | 174.5 | -179.9 | -84.8 | -87.2 | 0 | 0 | 0 | 110.1 | ||||
| 319 | H | 34.2 | Very low | 33.5 | Very low | 197 Ų | 197 | 136.6 Ų | 136.6 | 91% | 0.912 | 77% | 0.766 | S | S | * | * | trans | 78.1 | 148.2 | 179.1 | -54.9 | -11 | 0 | 0 | 0 | 114.9 | ||||
| 320 | G | 30.8 | Very low | 33.6 | Very low | 68 Ų | 68 | 133 Ų | 133 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | cis | 170.2 | 155.4 | -6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 321 | N | 35.9 | Very low | 33.5 | Very low | 171 Ų | 171 | 132.2 Ų | 132.2 | 91% | 0.914 | 76% | 0.762 | S | S | * | * | trans | -61.9 | 148.3 | -177.9 | -50.6 | -3 | 0 | 0 | 0 | 112.6 | ||||
| 322 | S | 28.1 | Very low | 33.5 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | -168.2 | 177.3 | 116.5 | -153.7 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 323 | I | 35.5 | Very low | 33.4 | Very low | 150 Ų | 150 | 137.6 Ų | 137.6 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -127 | 152.2 | -170.8 | -60.2 | 168.6 | 0 | 0 | 0 | 109.7 | ||||
| 324 | S | 31.8 | Very low | 33.4 | Very low | 92 Ų | 92 | 140.1 Ų | 140.1 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | trans | 83.8 | 127.1 | 153.3 | -96.9 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 325 | N | 33.5 | Very low | 33.5 | Very low | 130 Ų | 130 | 136.2 Ų | 136.2 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | 94.6 | 138.1 | 126.5 | -67.5 | 7.6 | 0 | 0 | 0 | 122.9 | |||||
| 326 | N | 35.2 | Very low | 33.3 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | trans | 78.1 | 146.3 | 144.5 | -75.5 | 12.7 | 0 | 0 | 0 | 119.9 | ||||
| 327 | S | 36.6 | Very low | 33.1 | Very low | 96 Ų | 96 | 138.1 Ų | 138.1 | 67% | 0.671 | 78% | 0.784 | S | S | * | * | cis | -168.3 | 176.9 | -13.2 | -172.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 328 | M | 32.9 | Very low | 33.4 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 64% | 0.64 | 78% | 0.775 | S | S | * | * | trans | 76.9 | 150.6 | 161.6 | -36.9 | -163.3 | 85.3 | 0 | 0 | 117.2 | ||||
| 329 | Y | 36.1 | Very low | 33.3 | Very low | 195 Ų | 195 | 136.6 Ų | 136.6 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | cis | -130.6 | 135.8 | 10.5 | -89.5 | -86.6 | 0 | 0 | 0 | 115 | ||||
| 330 | S | 32.9 | Very low | 33.2 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | 30.8 | 135.9 | 133.3 | -49.6 | 0 | 0 | 0 | 0 | 124 | ||||
| 331 | G | 30.1 | Very low | 33.2 | Very low | 79 Ų | 79 | 130.6 Ų | 130.6 | 81% | 0.814 | 77% | 0.769 | S | S | * | * | trans | -165.8 | 119.5 | 154.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 332 | E | 32.8 | Very low | 33.1 | Very low | 189 Ų | 189 | 132.3 Ų | 132.3 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | trans | -92.8 | 145.5 | -166.9 | -66.5 | 159.7 | 98.1 | 0 | 0 | 114.2 | ||||
| 333 | S | 31.5 | Very low | 34.3 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | trans | -167.7 | 126.4 | 135.1 | -80.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 334 | Q | 36.4 | Very low | 34.1 | Very low | 178 Ų | 178 | 134.2 Ų | 134.2 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | -84.4 | 162.5 | 166 | -61.8 | 178.3 | -3.9 | 0 | 0 | 108.1 | ||||
| 335 | I | 35.6 | Very low | 34.2 | Very low | 139 Ų | 139 | 135 Ų | 135 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | -160.4 | 147.2 | 56.4 | 43.3 | 171.1 | 0 | 0 | 0 | 114.1 | |||||
| 336 | N | 30.6 | Very low | 34.4 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | 56.1 | 102.6 | 144.1 | -56.6 | -4.3 | 0 | 0 | 0 | 120.8 | ||||
| 337 | S | 29.1 | Very low | 34.5 | Very low | 133 Ų | 133 | 134 Ų | 134 | 93% | 0.93 | 79% | 0.785 | S | S | * | * | trans | -129.7 | 135.5 | 133.1 | -75.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 338 | T | 35.8 | Very low | 34.3 | Very low | 105 Ų | 105 | 138.3 Ų | 138.3 | 64% | 0.644 | 80% | 0.795 | S | S | * | * | trans | -127.5 | 150.9 | -167.9 | -47.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 339 | H | 34.3 | Very low | 34.9 | Very low | 189 Ų | 189 | 139 Ų | 139 | 88% | 0.875 | 80% | 0.799 | S | S | * | * | trans | 70.3 | 137.3 | -172.6 | -49.2 | -88.6 | 0 | 0 | 0 | 113.9 | ||||
| 340 | G | 31.1 | Very low | 35 | Very low | 74 Ų | 74 | 138.5 Ų | 138.5 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | cis | 167.1 | 142.3 | -6.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 341 | G | 30.5 | Very low | 35 | Very low | 64 Ų | 64 | 138.9 Ų | 138.9 | 66% | 0.66 | 81% | 0.809 | S | S | * | * | trans | -65.9 | 169.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 342 | F | 33.9 | Very low | 35.4 | Very low | 208 Ų | 208 | 142.7 Ų | 142.7 | 91% | 0.912 | 81% | 0.811 | S | S | * | * | cis | -148.4 | 170.1 | 31.5 | -84.7 | -86.7 | 0 | 0 | 0 | 112.7 | ||||
| 343 | P | 54.3 | Low | 35.8 | Very low | 119 Ų | 119 | 143.4 Ų | 143.4 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | -90.9 | 156.2 | -176.7 | 36.7 | -34.4 | 0 | 0 | 0 | 112.9 | ||||
| 344 | E | 30.4 | Very low | 36.1 | Very low | 192 Ų | 192 | 140.4 Ų | 140.4 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | trans | -142.4 | 153.7 | 158.1 | -166.7 | 148.3 | -141.2 | 0 | 0 | 110.2 | ||||
| 345 | S | 35 | Very low | 36 | Very low | 107 Ų | 107 | 141 Ų | 141 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -135.9 | 106.3 | -170.5 | 166.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 346 | V | 38.3 | Very low | 36 | Very low | 136 Ų | 136 | 139.7 Ų | 139.7 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -128.3 | 121.3 | 168 | -77.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 347 | S | 35.7 | Very low | 36.6 | Very low | 121 Ų | 121 | 142.1 Ų | 142.1 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | trans | -109.7 | 106.8 | 165.7 | -63.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 348 | E | 32.8 | Very low | 36.7 | Very low | 188 Ų | 188 | 139.2 Ų | 139.2 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | trans | -106.5 | 137.3 | 176.7 | -168.8 | 152.3 | -140.2 | 0 | 0 | 110.8 | ||||
| 349 | I | 45.2 | Very low | 36.8 | Very low | 143 Ų | 143 | 140.1 Ų | 140.1 | 73% | 0.733 | 82% | 0.819 | S | S | * | * | trans | -108.9 | 119.8 | -171.9 | -62.1 | 168 | 0 | 0 | 0 | 108.1 | ||||
| 350 | M | 38 | Very low | 36.9 | Very low | 186 Ų | 186 | 137.4 Ų | 137.4 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | trans | -110.8 | 103.1 | 162.3 | -67.2 | -160 | 75.3 | 0 | 0 | 109.8 | ||||
| 351 | S | 34.6 | Very low | 36.9 | Very low | 112 Ų | 112 | 139.9 Ų | 139.9 | 78% | 0.783 | 82% | 0.821 | S | S | * | * | trans | -92.5 | 126.1 | 161.1 | -67.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 352 | D | 36.7 | Very low | 37.1 | Very low | 159 Ų | 159 | 141.3 Ų | 141.3 | 85% | 0.85 | 82% | 0.821 | S | S | * | * | trans | -124.2 | 144.7 | 163.6 | -174.4 | 20.2 | 0 | 0 | 0 | 109.3 | ||||
| 353 | K | 42.2 | Very low | 36.9 | Very low | 204 Ų | 204 | 135.4 Ų | 135.4 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | trans | -164.3 | 108.6 | -174.4 | -169.8 | -175.2 | 177.6 | -172.4 | 0 | 113.8 | ||||
| 354 | G | 37.4 | Very low | 35.9 | Very low | 61 Ų | 61 | 136.6 Ų | 136.6 | 63% | 0.629 | 82% | 0.819 | S | S | * | * | trans | 126.4 | 146.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 355 | E | 33.8 | Very low | 36 | Very low | 189 Ų | 189 | 139.5 Ų | 139.5 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | cis | -145.6 | 127.6 | -6 | -64.2 | -167 | 121.5 | 0 | 0 | 108 | ||||
| 356 | S | 35.9 | Very low | 35.9 | Very low | 112 Ų | 112 | 145 Ų | 145 | 78% | 0.783 | 83% | 0.826 | S | S | * | * | 71.2 | 96.8 | 96.2 | -162.9 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 357 | L | 43.8 | Very low | 35.8 | Very low | 183 Ų | 183 | 146.3 Ų | 146.3 | 96% | 0.958 | 83% | 0.827 | S | S | * | * | trans | -144.5 | 156.8 | 138.5 | -72.2 | -175.9 | 0 | 0 | 0 | 106.9 | ||||
| 358 | G | 31.8 | Very low | 35.8 | Very low | 71 Ų | 71 | 148.1 Ų | 148.1 | 73% | 0.732 | 83% | 0.825 | S | S | * | * | trans | -158.5 | -155.5 | -170.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 359 | S | 37.1 | Very low | 35.7 | Very low | 124 Ų | 124 | 149.5 Ų | 149.5 | 87% | 0.867 | 83% | 0.828 | S | S | * | * | trans | 71.6 | 130.9 | 165.5 | -71.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 360 | V | 35.3 | Very low | 34.9 | Very low | 133 Ų | 133 | 146.2 Ų | 146.2 | 81% | 0.806 | 83% | 0.829 | S | S | * | * | cis | -155.2 | 150.6 | -13.6 | -153.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 361 | S | 31.7 | Very low | 34.9 | Very low | 126 Ų | 126 | 146.5 Ų | 146.5 | 88% | 0.881 | 83% | 0.828 | S | S | * | * | trans | -155.7 | 140 | 137.6 | -166.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 362 | S | 34.4 | Very low | 35.2 | Very low | 94 Ų | 94 | 147.2 Ų | 147.2 | 66% | 0.657 | 83% | 0.831 | S | S | * | * | trans | -140.5 | 124.8 | -178.4 | 176.8 | 0 | 0 | 0 | 0 | 111.5 | N364 | S362-N364 PolarHBondContact O-N 3.39Š| ||
| 363 | G | 30.9 | Very low | 34.8 | Very low | 84 Ų | 84 | 143.4 Ų | 143.4 | 87% | 0.866 | 83% | 0.829 | S | S | * | * | trans | -94.9 | 60.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R365 | G363-R365 PolarHBondContact O-N 2.83Š| ||
| 364 | N | 32.6 | Very low | 34.3 | Very low | 143 Ų | 143 | 139.2 Ų | 139.2 | 77% | 0.765 | 83% | 0.825 | S | S | * | * | trans | -66.1 | 126.1 | 177.5 | -102.5 | -16.1 | 0 | 0 | 0 | 112.4 | S362 | S362-N364 PolarHBondContact O-N 3.39Š| ||
| 365 | R | 32.4 | Very low | 34.1 | Very low | 253 Ų | 253 | 145.3 Ų | 145.3 | 96% | 0.955 | 84% | 0.837 | S | S | * | * | trans | -128.1 | 120.5 | 150.1 | -98.1 | -169.2 | -78.7 | -140.3 | -1.3 | 110 | G363 | G363-R365 PolarHBondContact O-N 2.83Š| ||
| 366 | R | 33 | Very low | 33.9 | Very low | 222 Ų | 222 | 140.2 Ų | 140.2 | 84% | 0.838 | 84% | 0.836 | S | S | * | * | trans | -99.7 | 142.2 | -170.8 | -171.5 | -173.4 | 177.2 | -177.6 | 0.3 | 110.5 | ||||
| 367 | L | 37 | Very low | 33.6 | Very low | 164 Ų | 164 | 140.6 Ų | 140.6 | 86% | 0.859 | 84% | 0.838 | S | S | * | * | trans | -59.6 | 139.1 | 168 | -64.2 | 163.9 | 0 | 0 | 0 | 110.7 | ||||
| 368 | M | 34.2 | Very low | 33.2 | Very low | 160 Ų | 160 | 141.3 Ų | 141.3 | 79% | 0.788 | 84% | 0.836 | S | S | * | * | trans | -131.2 | 129.7 | 167.7 | -71.3 | -65.2 | -72.4 | 0 | 0 | 109.7 | ||||
| 369 | F | 32.3 | Very low | 33.4 | Very low | 217 Ų | 217 | 150 Ų | 150 | 95% | 0.952 | 85% | 0.847 | S | S | * | * | trans | -66.7 | 152.2 | 165 | -90.4 | -116.5 | 0 | 0 | 0 | 109.9 | ||||
| 370 | G | 27.9 | Very low | 33 | Very low | 74 Ų | 74 | 147 Ų | 147 | 76% | 0.763 | 84% | 0.835 | S | S | * | * | trans | -148.8 | 91.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 371 | Q | 38.1 | Very low | 33 | Very low | 191 Ų | 191 | 145.3 Ų | 145.3 | 89% | 0.893 | 84% | 0.836 | S | S | * | * | trans | -162.9 | 156.7 | 157.8 | -98.8 | -169.5 | -25.7 | 0 | 0 | 107.8 | ||||
| 372 | P | 40.7 | Very low | 33.2 | Very low | 128 Ų | 128 | 149.1 Ų | 149.1 | 83% | 0.831 | 83% | 0.832 | S | S | * | * | cis | -113.4 | -175.2 | -8 | 40.8 | -29.5 | 0 | 0 | 0 | 112.3 | ||||
| 373 | G | 28.4 | Very low | 33.1 | Very low | 79 Ų | 79 | 149.3 Ų | 149.3 | 81% | 0.814 | 83% | 0.833 | S | S | * | * | trans | -120 | 130 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 374 | S | 31.1 | Very low | 33.3 | Very low | 116 Ų | 116 | 153.5 Ų | 153.5 | 81% | 0.811 | 84% | 0.835 | S | S | * | * | trans | -117 | 162.3 | 162 | -149.4 | 0 | 0 | 0 | 0 | 106 | ||||
| 375 | E | 33.6 | Very low | 33.4 | Very low | 189 Ų | 189 | 152.7 Ų | 152.7 | 88% | 0.883 | 83% | 0.831 | S | S | * | * | cis | -143.1 | 167.8 | 23.4 | -60.4 | 174.7 | 153.4 | 0 | 0 | 111.1 | ||||
| 376 | G | 28.8 | Very low | 33.6 | Very low | 82 Ų | 82 | 149.9 Ų | 149.9 | 85% | 0.845 | 83% | 0.828 | S | S | * | * | trans | -166.5 | 94.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 377 | S | 30.5 | Very low | 33.8 | Very low | 120 Ų | 120 | 146 Ų | 146 | 84% | 0.839 | 82% | 0.823 | S | S | * | * | trans | -107 | 117.4 | -167.1 | 175.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 378 | E | 36 | Very low | 33.6 | Very low | 197 Ų | 197 | 142.1 Ų | 142.1 | 92% | 0.921 | 82% | 0.823 | S | S | * | * | trans | -136.3 | 161.6 | 157.9 | -72.9 | -151.9 | 140.5 | 0 | 0 | 111.8 | ||||
| 379 | R | 35.8 | Very low | 33.5 | Very low | 255 Ų | 255 | 139.6 Ų | 139.6 | 96% | 0.962 | 82% | 0.82 | S | S | * | * | trans | -86.2 | 147 | -166.4 | -66.7 | 172.4 | 166 | -171.7 | -3.9 | 113.6 | ||||
| 380 | G | 29.2 | Very low | 33.9 | Very low | 59 Ų | 59 | 137.5 Ų | 137.5 | 61% | 0.608 | 82% | 0.818 | S | S | * | * | trans | -170.2 | 92.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 381 | A | 34.4 | Very low | 34.1 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -121.3 | 98.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 382 | Y | 35 | Very low | 33.9 | Very low | 206 Ų | 206 | 131.8 Ų | 131.8 | 81% | 0.808 | 81% | 0.811 | S | S | * | * | trans | -164 | 149.5 | 169.8 | 25.4 | -102.6 | 0 | 0 | 0 | 107.2 | ||||
| 383 | S | 33 | Very low | 33.9 | Very low | 97 Ų | 97 | 135 Ų | 135 | 68% | 0.678 | 82% | 0.815 | S | S | * | * | cis | 177.3 | 105.7 | -10.1 | 170.3 | 0 | 0 | 0 | 0 | 103 | N385 | S383-N385 PolarHBondContact O-N 2.68Å; S383-N385 VanDerWaalsContact O-N 3.11Å | ||
| 384 | L | 35.8 | Very low | 34.6 | Very low | 172 Ų | 172 | 137 Ų | 137 | 90% | 0.901 | 82% | 0.816 | S | S | * | * | trans | -66.4 | 106.3 | 174.8 | 175.1 | 77.3 | 0 | 0 | 0 | 108.8 | ||||
| 385 | N | 35.3 | Very low | 35.4 | Very low | 126 Ų | 126 | 137 Ų | 137 | 67% | 0.674 | 81% | 0.811 | S | S | * | * | trans | -172.7 | 108.4 | 161.9 | -96.5 | -38.2 | 0 | 0 | 0 | 113.7 | S383 | S383-N385 PolarHBondContact O-N 2.68Å; S383-N385 VanDerWaalsContact O-N 3.11Å | ||
| 386 | Q | 36.6 | Very low | 36 | Very low | 195 Ų | 195 | 134.3 Ų | 134.3 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | trans | -141 | 114.4 | 149.7 | -64.3 | -175.2 | 22.6 | 0 | 0 | 104.5 | ||||
| 387 | I | 36.4 | Very low | 37.1 | Very low | 140 Ų | 140 | 138.1 Ų | 138.1 | 72% | 0.718 | 80% | 0.796 | S | S | * | * | cis | 63.5 | 64.6 | 46.3 | -41.5 | 177.2 | 0 | 0 | 0 | 111.8 | ||||
| 388 | G | 31.8 | Very low | 37.6 | Very low | 83 Ų | 83 | 141.2 Ų | 141.2 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | trans | -86.5 | 121.9 | 151.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 389 | S | 32.5 | Very low | 37.9 | Very low | 106 Ų | 106 | 143 Ų | 143 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | trans | -128.6 | 104.3 | -175.7 | -170.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 390 | L | 41.5 | Very low | 38 | Very low | 174 Ų | 174 | 137.5 Ų | 137.5 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | trans | -135.4 | 128.9 | 159.2 | -66.2 | 167.9 | 0 | 0 | 0 | 103.9 | ||||
| 391 | G | 32.8 | Very low | 38.5 | Very low | 77 Ų | 77 | 141.6 Ų | 141.6 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | cis | 95.3 | 90.9 | 26.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 392 | G | 33.9 | Very low | 38.7 | Very low | 68 Ų | 68 | 143.9 Ų | 143.9 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | cis | 176.9 | -150.3 | 0.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 393 | Q | 39.6 | Very low | 39 | Very low | 195 Ų | 195 | 140.3 Ų | 140.3 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | trans | 71.8 | 124.9 | 179.9 | -54.7 | -172.3 | 43 | 0 | 0 | 116.5 | ||||
| 394 | S | 42.4 | Very low | 39.3 | Very low | 121 Ų | 121 | 143 Ų | 143 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | trans | -111.4 | 137.6 | 163.3 | 171.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 395 | V | 47.7 | Very low | 39.6 | Very low | 117 Ų | 117 | 141.1 Ų | 141.1 | 71% | 0.709 | 82% | 0.815 | S | S | * | * | trans | -135.8 | 144.1 | 169.1 | -171.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 396 | D | 47.6 | Very low | 39.9 | Very low | 131 Ų | 131 | 142.1 Ų | 142.1 | 70% | 0.701 | 83% | 0.825 | S | S | * | * | trans | -27.9 | 130.5 | -169.9 | -66.9 | -70.8 | 0 | 0 | 0 | 122.6 | ||||
| 397 | K | 50.7 | Low | 40.1 | Very low | 162 Ų | 162 | 138.1 Ų | 138.1 | 70% | 0.704 | 82% | 0.818 | S | S | * | * | 33.2 | 131.7 | 107.2 | -85.7 | 175.4 | 171.7 | 174.7 | 0 | 120 | |||||
| 398 | F | 41 | Very low | 40.4 | Very low | 186 Ų | 186 | 137.9 Ų | 137.9 | 82% | 0.816 | 83% | 0.827 | S | S | * | * | trans | 67.7 | 144.1 | 168 | -50.8 | -67.8 | 0 | 0 | 0 | 113.9 | ||||
| 399 | L | 43.7 | Very low | 41.2 | Very low | 235 Ų | 235 | 142.9 Ų | 142.9 | 100% | 1.23 | 82% | 0.824 | S | S | * | * | cis | -138.1 | 0 | 19.1 | -158.7 | 149.3 | 0 | 0 | 0 | 111.7 |
Retrieved 399 of 399 residues in 589.9 ms
(Link to these results)