| 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 | 35.4 | Very low | 39.2 | Very low | 240 Ų | 240 | 130.3 Ų | 130.3 | 100% | 1.182 | 70% | 0.695 | S | S | * | * | 0 | 92.5 | 0 | -81.2 | 174.7 | 161.5 | 0 | 0 | 107.2 | |||||
| 2 | F | 36.4 | Very low | 39.6 | Very low | 222 Ų | 222 | 127.4 Ų | 127.4 | 97% | 0.974 | 68% | 0.679 | S | S | * | * | trans | -89.6 | 107 | -179.1 | -74 | -81.2 | 0 | 0 | 0 | 108.4 | ||||
| 3 | G | 37 | Very low | 39.9 | Very low | 61 Ų | 61 | 127.2 Ų | 127.2 | 63% | 0.629 | 68% | 0.678 | S | S | * | * | trans | -72.8 | 152.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 4 | N | 36.5 | Very low | 40.5 | Very low | 118 Ų | 118 | 123.1 Ų | 123.1 | 63% | 0.631 | 66% | 0.656 | S | S | * | * | trans | -44.4 | 130.5 | -173.9 | -94.9 | -22.4 | 0 | 0 | 0 | 114.2 | E6 V7 | N4-E6 PolarHBondContact O-N 2.84Å; N4-E6 VanDerWaalsContact O-N 3.15Å; N4-V7 HydrophobicContact CB-CG2 4.22Å; N4-V7 PolarHBondContact O-N 3.18Å; N4-V7 VanDerWaalsContact O-N 3.12Å | ||
| 5 | P | 40.8 | Very low | 41.1 | Very low | 102 Ų | 102 | 122.2 Ų | 122.2 | 66% | 0.662 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -63.8 | -19.4 | -179.7 | 24.2 | -32.2 | 0 | 0 | 0 | 114.1 | V7 | P5-V7 VanDerWaalsContact C-N 3.34Å |
| 6 | E | 39.7 | Very low | 41.6 | Very low | 164 Ų | 164 | 121.3 Ų | 121.3 | 77% | 0.766 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -72.9 | -22 | 175.8 | -74.3 | -177.1 | 156.4 | 0 | 0 | 113.8 | N4 | N4-E6 PolarHBondContact O-N 2.84Å; N4-E6 VanDerWaalsContact O-N 3.15Å |
| 7 | V | 43.1 | Very low | 42.4 | Very low | 92 Ų | 92 | 119.2 Ų | 119.2 | 56% | 0.558 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -77.6 | -31.3 | 177.2 | -176.8 | 0 | 0 | 0 | 0 | 110.9 | N4 P5 M9 N10 | N4-V7 HydrophobicContact CB-CG2 4.22Å; N4-V7 PolarHBondContact O-N 3.18Å; N4-V7 VanDerWaalsContact O-N 3.12Å; P5-V7 VanDerWaalsContact C-N 3.34Å; V7-M9 VanDerWaalsContact C-N 3.31Å; V7-M9 PolarHBondContact O-N 3.3Å; V7-N10 PolarHBondContact O-N 3.4Å |
| 8 | I | 39 | Very low | 42.4 | Very low | 94 Ų | 94 | 116.7 Ų | 116.7 | 48% | 0.482 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -70.1 | -27.5 | -176.3 | -57.1 | 175.4 | 0 | 0 | 0 | 111.8 | ||
| 9 | M | 38.3 | Very low | 42.5 | Very low | 149 Ų | 149 | 113.7 Ų | 113.7 | 73% | 0.734 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -73.2 | -24.6 | 179.3 | -92.9 | -159.7 | -177.8 | 0 | 0 | 114.1 | V7 | V7-M9 VanDerWaalsContact C-N 3.31Å; V7-M9 PolarHBondContact O-N 3.3Å |
| 10 | N | 41.5 | Very low | 42.9 | Very low | 128 Ų | 128 | 117 Ų | 117 | 68% | 0.684 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -81.2 | -26.1 | 177.2 | -87.3 | -14.4 | 0 | 0 | 0 | 113 | V7 | V7-N10 PolarHBondContact O-N 3.4Å |
| 11 | D | 43.7 | Very low | 43.2 | Very low | 63 Ų | 63 | 114.2 Ų | 114.2 | 34% | 0.337 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -78.6 | -20.2 | -179.1 | -80.9 | -27.7 | 0 | 0 | 0 | 113.8 | N13 N14 Y17 | D11-N13 PolarHBondContact O-N 3.22Å; D11-N14 WeakPolarHBondContact O-CB 3.31Å; D11-N14 PolarHBondContact O-N 3.27Å; D11-Y17 HydrophobicContact CB-CD1 4.06Å; D11-Y17 HydrophobicContact CB-CD2 4.43Å; D11-Y17 HydrophobicContact CB-CE1 4.12Å; D11-Y17 HydrophobicContact CB-CE2 4.49Å; D11-Y17 HydrophobicContact CB-CG 4.21Å; D11-Y17 WeakPolarHBondContact O-CD1 3.36Å |
| 12 | L | 43.4 | Very low | 43.7 | Very low | 96 Ų | 96 | 107.8 Ų | 107.8 | 50% | 0.503 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.7 | -15.5 | 176.3 | -73.9 | 165.7 | 0 | 0 | 0 | 113.6 | L18 | L12-L18 HydrophobicContact CD2-CD2 4.27Š|
| 13 | N | 44.1 | Very low | 44.1 | Very low | 125 Ų | 125 | 101.9 Ų | 101.9 | 67% | 0.668 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -6.2 | 172.3 | -68.2 | -34.5 | 0 | 0 | 0 | 112.8 | D11 | D11-N13 PolarHBondContact O-N 3.22Š|
| 14 | N | 48.7 | Very low | 44.4 | Very low | 69 Ų | 69 | 104 Ų | 104 | 37% | 0.369 | 54% | 0.543 | S | S | . | . | trans | -90.7 | 106.3 | -179.5 | -170 | -7.2 | 0 | 0 | 0 | 110.1 | D11 D16 Y17 L18 | D11-N14 WeakPolarHBondContact O-CB 3.31Å; D11-N14 PolarHBondContact O-N 3.27Å; N14-D16 PolarHBondContact O-N 3.44Å; N14-D16 WeakPolarHBondContact OD1-CB 3.43Å; N14-D16 PolarHBondContact OD1-N 3.05Å; N14-Y17 WeakPolarHBondContact O-CB 3.41Å; N14-Y17 PolarHBondContact O-N 2.85Å; N14-L18 PolarHBondContact O-N 3.46Å | ||
| 15 | V | 49.1 | Very low | 44.5 | Very low | 110 Ų | 110 | 108.2 Ų | 108.2 | 67% | 0.667 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -58 | -34.6 | 179.3 | 180 | 0 | 0 | 0 | 0 | 111.2 | Y17 L18 S19 | V15-Y17 PolarHBondContact O-N 3.44Å; V15-L18 PolarHBondContact O-N 2.7Å; V15-S19 PolarHBondContact O-N 3.48Å |
| 16 | D | 48.3 | Very low | 44.4 | Very low | 108 Ų | 108 | 107.6 Ų | 107.6 | 58% | 0.578 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -69 | -33.3 | 177.9 | -66.9 | -25.2 | 0 | 0 | 0 | 112.4 | N14 R20 | N14-D16 PolarHBondContact O-N 3.44Å; N14-D16 WeakPolarHBondContact OD1-CB 3.43Å; N14-D16 PolarHBondContact OD1-N 3.05Å; D16-R20 WeakPolarHBondContact O-CG 3.15Å; D16-R20 PolarHBondContact O-N 3.41Å |
| 17 | Y | 55 | Low | 44.3 | Very low | 85 Ų | 85 | 105.5 Ų | 105.5 | 33% | 0.333 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.2 | -44.5 | 175.3 | 177.6 | -103.2 | 0 | 0 | 0 | 111.1 | D11 N14 V15 R20 I21 | D11-Y17 HydrophobicContact CB-CD1 4.06Å; D11-Y17 HydrophobicContact CB-CD2 4.43Å; D11-Y17 HydrophobicContact CB-CE1 4.12Å; D11-Y17 HydrophobicContact CB-CE2 4.49Å; D11-Y17 HydrophobicContact CB-CG 4.21Å; D11-Y17 WeakPolarHBondContact O-CD1 3.36Å; N14-Y17 WeakPolarHBondContact O-CB 3.41Å; N14-Y17 PolarHBondContact O-N 2.85Å; V15-Y17 PolarHBondContact O-N 3.44Å; Y17-R20 PolarHBondContact O-N 3.06Å; Y17-I21 HydrophobicContact CD1-CD1 3.91Å; Y17-I21 HydrophobicContact CE1-CD1 3.28Å; Y17-I21 HydrophobicContact CE1-CG1 4.3Å; Y17-I21 HydrophobicContact CE2-CD1 4.2Å; Y17-I21 VanDerWaalsContact CZ-CD1 3.47Å; Y17-I21 WeakPolarHBondContact O-CG1 3.44Å; Y17-I21 PolarHBondContact O-N 3.31Å |
| 18 | L | 43.1 | Very low | 44 | Very low | 75 Ų | 75 | 106.2 Ų | 106.2 | 39% | 0.393 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.1 | -39.9 | 177 | -67.8 | 176.3 | 0 | 0 | 0 | 112.1 | L12 N14 V15 I21 L22 | L12-L18 HydrophobicContact CD2-CD2 4.27Å; N14-L18 PolarHBondContact O-N 3.46Å; V15-L18 PolarHBondContact O-N 2.7Å; L18-I21 PolarHBondContact O-N 3.44Å; L18-L22 WeakPolarHBondContact O-CG 3.2Å; L18-L22 PolarHBondContact O-N 3.12Å; L18-L22 VanDerWaalsContact O-N 3.15Å |
| 19 | S | 44.3 | Very low | 44 | Very low | 60 Ų | 60 | 106.9 Ų | 106.9 | 42% | 0.42 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60 | -47.6 | 171.9 | -102.3 | 0 | 0 | 0 | 0 | 111.6 | V15 I21 L22 D23 | V15-S19 PolarHBondContact O-N 3.48Å; S19-I21 VanDerWaalsContact C-N 3.34Å; S19-I21 PolarHBondContact O-N 2.91Å; S19-L22 PolarHBondContact O-N 3.32Å; S19-L22 VanDerWaalsContact O-N 3.16Å; S19-D23 WeakPolarHBondContact O-CB 3.44Å; S19-D23 VanDerWaalsContact O-CG 3.28Å; S19-D23 PolarHBondContact O-N 3.23Å |
| 20 | R | 49.9 | Very low | 43.6 | Very low | 179 Ų | 179 | 102.8 Ų | 102.8 | 68% | 0.675 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.5 | -37.6 | 178.8 | -77.5 | -178.8 | -168.4 | -176.8 | 5.2 | 113.6 | D16 Y17 N24 | D16-R20 WeakPolarHBondContact O-CG 3.15Å; D16-R20 PolarHBondContact O-N 3.41Å; Y17-R20 PolarHBondContact O-N 3.06Å; R20-N24 VanDerWaalsContact O-CB 3.26Å; R20-N24 WeakPolarHBondContact O-CB 2.85Å; R20-N24 PolarHBondContact O-N 3.22Å; R20-N24 PolarHBondContact O-ND2 3.18Å; R20-N24 VanDerWaalsContact O-ND2 3.16Å |
| 21 | I | 50.1 | Low | 43.3 | Very low | 58 Ų | 58 | 104.1 Ų | 104.1 | 30% | 0.297 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.2 | -45.2 | 175.9 | -72.3 | 180 | 0 | 0 | 0 | 110.4 | Y17 L18 S19 N24 W25 | Y17-I21 HydrophobicContact CD1-CD1 3.91Å; Y17-I21 HydrophobicContact CE1-CD1 3.28Å; Y17-I21 HydrophobicContact CE1-CG1 4.3Å; Y17-I21 HydrophobicContact CE2-CD1 4.2Å; Y17-I21 VanDerWaalsContact CZ-CD1 3.47Å; Y17-I21 WeakPolarHBondContact O-CG1 3.44Å; Y17-I21 PolarHBondContact O-N 3.31Å; L18-I21 PolarHBondContact O-N 3.44Å; S19-I21 VanDerWaalsContact C-N 3.34Å; S19-I21 PolarHBondContact O-N 2.91Å; I21-N24 PolarHBondContact O-N 2.96Å; I21-W25 PolarHBondContact O-N 3.1Å |
| 22 | L | 46.5 | Very low | 42.6 | Very low | 106 Ų | 106 | 108.6 Ų | 108.6 | 56% | 0.555 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.7 | -44.3 | 179.5 | -70.3 | 170.4 | 0 | 0 | 0 | 111.2 | L18 S19 N24 W25 S26 | L18-L22 WeakPolarHBondContact O-CG 3.2Å; L18-L22 PolarHBondContact O-N 3.12Å; L18-L22 VanDerWaalsContact O-N 3.15Å; S19-L22 PolarHBondContact O-N 3.32Å; S19-L22 VanDerWaalsContact O-N 3.16Å; L22-N24 PolarHBondContact O-N 2.92Å; L22-W25 PolarHBondContact O-N 3.31Å; L22-S26 PolarHBondContact O-N 2.89Å; L22-S26 PolarHBondContact O-OG 2.9Å |
| 23 | D | 43.2 | Very low | 41.9 | Very low | 97 Ų | 97 | 110 Ų | 110 | 52% | 0.519 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64.2 | -40.5 | 178.8 | -68.4 | -24 | 0 | 0 | 0 | 111.9 | S19 W25 S26 V27 | S19-D23 WeakPolarHBondContact O-CB 3.44Å; S19-D23 VanDerWaalsContact O-CG 3.28Å; S19-D23 PolarHBondContact O-N 3.23Å; D23-W25 PolarHBondContact O-N 3.41Å; D23-S26 WeakPolarHBondContact CA-OG 3.16Å; D23-S26 PolarHBondContact O-N 3.36Å; D23-S26 PolarHBondContact O-OG 2.92Å; D23-V27 WeakPolarHBondContact O-CG2 3.13Å |
| 24 | N | 44.4 | Very low | 41.4 | Very low | 106 Ų | 106 | 109.7 Ų | 109.7 | 57% | 0.567 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -71.1 | -27.1 | 177.5 | -74.4 | -26.3 | 0 | 0 | 0 | 113.6 | R20 I21 L22 S28 | R20-N24 VanDerWaalsContact O-CB 3.26Å; R20-N24 WeakPolarHBondContact O-CB 2.85Å; R20-N24 PolarHBondContact O-N 3.22Å; R20-N24 PolarHBondContact O-ND2 3.18Å; R20-N24 VanDerWaalsContact O-ND2 3.16Å; I21-N24 PolarHBondContact O-N 2.96Å; L22-N24 PolarHBondContact O-N 2.92Å; N24-S28 PolarHBondContact O-OG 3.18Å |
| 25 | W | 38.8 | Very low | 40.6 | Very low | 207 Ų | 207 | 111.7 Ų | 111.7 | 78% | 0.784 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -73.5 | -28.3 | 174.3 | -83.8 | 22.7 | 0 | 0 | 0 | 112.5 | I21 L22 D23 V27 | I21-W25 PolarHBondContact O-N 3.1Å; L22-W25 PolarHBondContact O-N 3.31Å; D23-W25 PolarHBondContact O-N 3.41Å; W25-V27 VanDerWaalsContact C-N 3.31Å; W25-V27 PolarHBondContact O-N 2.91Å |
| 26 | S | 38.1 | Very low | 40 | Very low | 89 Ų | 89 | 116.1 Ų | 116.1 | 62% | 0.622 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -72.7 | -17.5 | 173.5 | 16.3 | 0 | 0 | 0 | 0 | 114.7 | L22 D23 | L22-S26 PolarHBondContact O-N 2.89Å; L22-S26 PolarHBondContact O-OG 2.9Å; D23-S26 WeakPolarHBondContact CA-OG 3.16Å; D23-S26 PolarHBondContact O-N 3.36Å; D23-S26 PolarHBondContact O-OG 2.92Å |
| 27 | V | 37.4 | Very low | 39.3 | Very low | 119 Ų | 119 | 118.2 Ų | 118.2 | 72% | 0.721 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -100 | -10.3 | -172.5 | 176.8 | 0 | 0 | 0 | 0 | 113.4 | D23 W25 | D23-V27 WeakPolarHBondContact O-CG2 3.13Å; W25-V27 VanDerWaalsContact C-N 3.31Å; W25-V27 PolarHBondContact O-N 2.91Å |
| 28 | S | 37.9 | Very low | 38.5 | Very low | 107 Ų | 107 | 122.3 Ų | 122.3 | 75% | 0.748 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -101.5 | 23.9 | -168.2 | -63.9 | 0 | 0 | 0 | 0 | 116.8 | N24 | N24-S28 PolarHBondContact O-OG 3.18Š|
| 29 | S | 37.6 | Very low | 37.9 | Very low | 109 Ų | 109 | 122.3 Ų | 122.3 | 76% | 0.762 | 70% | 0.703 | S | S | * | * | trans | -129.3 | 72.5 | 172.3 | 32.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 30 | G | 30.4 | Very low | 37.6 | Very low | 62 Ų | 62 | 124.5 Ų | 124.5 | 64% | 0.639 | 72% | 0.718 | S | S | * | * | trans | -88 | 140.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 31 | N | 34.4 | Very low | 36.6 | Very low | 157 Ų | 157 | 123.4 Ų | 123.4 | 84% | 0.84 | 73% | 0.725 | S | S | * | * | -176.2 | 125.6 | 127.7 | -91.4 | -24.6 | 0 | 0 | 0 | 113.1 | |||||
| 32 | L | 30.5 | Very low | 35.8 | Very low | 156 Ų | 156 | 126.3 Ų | 126.3 | 82% | 0.817 | 75% | 0.746 | S | S | * | * | trans | 82.5 | 95.9 | 146.4 | -61.2 | 159 | 0 | 0 | 0 | 120.6 | ||||
| 33 | C | 28.9 | Very low | 34.9 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | -158.1 | 135.4 | 111.9 | -112.9 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 34 | P | 31.8 | Very low | 34.2 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 124.5 | -173.7 | 31.5 | -29.5 | 0 | 0 | 0 | 111.5 | ||
| 35 | S | 32.8 | Very low | 33.5 | Very low | 112 Ų | 112 | 138 Ų | 138 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 126.1 | 169.3 | 171.7 | 0 | 0 | 0 | 0 | 110.5 | ||
| 36 | K | 37.6 | Very low | 33.1 | Very low | 203 Ų | 203 | 134.2 Ų | 134.2 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 124 | 164.8 | -84.7 | -175.8 | 176.2 | 178.9 | 0 | 108.9 | ||
| 37 | N | 33.6 | Very low | 32.5 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | -39.1 | 126.2 | 173.6 | -63.6 | -28 | 0 | 0 | 0 | 113.9 | ||||
| 38 | D | 36.9 | Very low | 32 | Very low | 171 Ų | 171 | 138.4 Ų | 138.4 | 91% | 0.914 | 79% | 0.789 | S | S | * | * | trans | -143.6 | 128.6 | 133.1 | -116.9 | -20.3 | 0 | 0 | 0 | 110.2 | ||||
| 39 | G | 30.9 | Very low | 31.8 | Very low | 76 Ų | 76 | 138.8 Ų | 138.8 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | trans | -83.2 | 121.4 | -165.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 40 | S | 38.3 | Very low | 31.6 | Very low | 105 Ų | 105 | 137.3 Ų | 137.3 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -173.2 | 110.4 | 142.5 | 55.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 41 | N | 29 | Very low | 31.8 | Very low | 156 Ų | 156 | 138 Ų | 138 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | trans | 24.3 | 104.6 | 143.8 | -60 | -19 | 0 | 0 | 0 | 117.2 | ||||
| 42 | T | 33.6 | Very low | 31.8 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 73% | 0.73 | 76% | 0.759 | S | S | * | * | 179.2 | 134.9 | 124.8 | 26.3 | 0 | 0 | 0 | 0 | 108.7 | R44 | T42-R44 PolarHBondContact O-N 2.99Š| |||
| 43 | L | 27 | Very low | 31.9 | Very low | 187 Ų | 187 | 130.9 Ų | 130.9 | 98% | 0.979 | 74% | 0.737 | S | S | * | * | trans | -60.6 | 85.7 | 168.7 | -73.3 | 157.4 | 0 | 0 | 0 | 108.7 | ||||
| 44 | R | 27.7 | Very low | 32.4 | Very low | 187 Ų | 187 | 128.3 Ų | 128.3 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | trans | -102.1 | 102.4 | 164.1 | -80.8 | -171 | -177.1 | -125.7 | 1.7 | 106.9 | T42 I46 | T42-R44 PolarHBondContact O-N 2.99Å; R44-I46 PolarHBondContact O-N 3.45Å | ||
| 45 | E | 30.4 | Very low | 32.7 | Very low | 180 Ų | 180 | 126.9 Ų | 126.9 | 84% | 0.841 | 70% | 0.699 | S | S | * | * | trans | -47.9 | 121.1 | 165.1 | -73.2 | 175.3 | 153.1 | 0 | 0 | 109.1 | C47 | E45-C47 VanDerWaalsContact C-N 3.34Å; E45-C47 PolarHBondContact O-N 2.85Å | ||
| 46 | I | 29.3 | Very low | 33 | Very low | 129 Ų | 129 | 125.1 Ų | 125.1 | 66% | 0.662 | 68% | 0.683 | S | S | * | * | trans | -77.1 | 88.5 | -179.5 | -56 | 172.9 | 0 | 0 | 0 | 106.9 | R44 Y48 | R44-I46 PolarHBondContact O-N 3.45Å; I46-Y48 HydrophobicContact CB-CE2 4.34Å; I46-Y48 HydrophobicContact CG2-CD1 4.44Å; I46-Y48 HydrophobicContact CG2-CD2 3.78Å; I46-Y48 HydrophobicContact CG2-CE1 3.93Å; I46-Y48 HydrophobicContact CG2-CE2 3.2Å; I46-Y48 HydrophobicContact CG2-CG 4.37Å | ||
| 47 | C | 27.5 | Very low | 33.2 | Very low | 112 Ų | 112 | 120.5 Ų | 120.5 | 76% | 0.757 | 67% | 0.668 | S | S | * | * | trans | -88 | 103.9 | 168.6 | -77.6 | 0 | 0 | 0 | 0 | 109.3 | E45 | E45-C47 VanDerWaalsContact C-N 3.34Å; E45-C47 PolarHBondContact O-N 2.85Å | ||
| 48 | Y | 26.7 | Very low | 33.6 | Very low | 184 Ų | 184 | 119.7 Ų | 119.7 | 72% | 0.722 | 66% | 0.66 | S | S | * | * | trans | -77.5 | 128.4 | 170.9 | -65.8 | -78 | 0 | 0 | 0 | 110.2 | I46 V50 | I46-Y48 HydrophobicContact CB-CE2 4.34Å; I46-Y48 HydrophobicContact CG2-CD1 4.44Å; I46-Y48 HydrophobicContact CG2-CD2 3.78Å; I46-Y48 HydrophobicContact CG2-CE1 3.93Å; I46-Y48 HydrophobicContact CG2-CE2 3.2Å; I46-Y48 HydrophobicContact CG2-CG 4.37Å; Y48-V50 PolarHBondContact O-N 3.05Å | ||
| 49 | P | 33.9 | Very low | 33.7 | Very low | 114 Ų | 114 | 116.8 Ų | 116.8 | 74% | 0.74 | 64% | 0.639 | S | S | * | * | trans | -74.6 | 94.9 | 171.1 | 30.4 | -31.4 | 0 | 0 | 0 | 108.9 | T51 | P49-T51 PolarHBondContact O-N 3.11Š| ||
| 50 | V | 33 | Very low | 34.1 | Very low | 79 Ų | 79 | 116.6 Ų | 116.6 | 48% | 0.479 | 63% | 0.625 | S | S | . | * | trans | -78 | 108.9 | 165.6 | -174.2 | 0 | 0 | 0 | 0 | 106.9 | Y48 D54 M55 | Y48-V50 PolarHBondContact O-N 3.05Å; V50-D54 HydrophobicContact CG1-CB 3.94Å; V50-M55 HydrophobicContact CB-CE 4.03Å; V50-M55 HydrophobicContact CG1-CE 3.76Å; V50-M55 HydrophobicContact CG1-CG 3.47Å; V50-M55 VanDerWaalsContact CG1-CG 3.47Å | ||
| 51 | T | 34.7 | Very low | 34.3 | Very low | 77 Ų | 77 | 117.5 Ų | 117.5 | 47% | 0.472 | 62% | 0.62 | S | S | . | * | trans | -72.4 | 150.8 | 173.6 | 68.6 | 0 | 0 | 0 | 0 | 109.2 | P49 G53 D54 M55 | P49-T51 PolarHBondContact O-N 3.11Å; T51-G53 PolarHBondContact O-N 3.37Å; T51-D54 WeakPolarHBondContact CB-OD2 3.26Å; T51-D54 PolarHBondContact N-OD2 2.92Å; T51-D54 VanDerWaalsContact N-OD2 3.08Å; T51-D54 WeakPolarHBondContact O-CA 3.28Å; T51-D54 WeakPolarHBondContact O-CB 3.31Å; T51-D54 PolarHBondContact O-N 3.45Å; T51-D54 PolarHBondContact OG1-N 3.49Å; T51-D54 PolarHBondContact OG1-OD2 2.89Å; T51-M55 PolarHBondContact O-N 2.87Å; T51-M55 VanDerWaalsContact O-N 3.13Å | ||
| 52 | L | 34.4 | Very low | 34.9 | Very low | 129 Ų | 129 | 114.3 Ų | 114.3 | 68% | 0.675 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -55.1 | -26.7 | 175.3 | -160.4 | 80.9 | 0 | 0 | 0 | 111.5 | M55 T56 | L52-M55 PolarHBondContact O-N 3.13Å; L52-T56 WeakPolarHBondContact O-CG2 3.3Å; L52-T56 PolarHBondContact O-N 3.47Å; L52-T56 PolarHBondContact O-OG1 3.13Å; L52-T56 VanDerWaalsContact O-OG1 3.05Å |
| 53 | G | 32.8 | Very low | 35.3 | Very low | 34 Ų | 34 | 110.3 Ų | 110.3 | 35% | 0.351 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.3 | -38.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | T51 T56 N57 | T51-G53 PolarHBondContact O-N 3.37Å; G53-T56 VanDerWaalsContact CA-OG1 3.31Å; G53-T56 WeakPolarHBondContact CA-OG1 3.48Å; G53-T56 PolarHBondContact O-N 3.02Å; G53-T56 PolarHBondContact O-OG1 3.32Å; G53-N57 PolarHBondContact O-N 3.36Å; G53-N57 VanDerWaalsContact O-N 3.11Å; G53-N57 PolarHBondContact O-ND2 3.08Å |
| 54 | D | 38.7 | Very low | 36.2 | Very low | 71 Ų | 71 | 108 Ų | 108 | 38% | 0.38 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -73 | -36.8 | 176.6 | -56.8 | -44.6 | 0 | 0 | 0 | 111.4 | V50 T51 N57 Q58 | V50-D54 HydrophobicContact CG1-CB 3.94Å; T51-D54 WeakPolarHBondContact CB-OD2 3.26Å; T51-D54 PolarHBondContact N-OD2 2.92Å; T51-D54 VanDerWaalsContact N-OD2 3.08Å; T51-D54 WeakPolarHBondContact O-CA 3.28Å; T51-D54 WeakPolarHBondContact O-CB 3.31Å; T51-D54 PolarHBondContact O-N 3.45Å; T51-D54 PolarHBondContact OG1-N 3.49Å; T51-D54 PolarHBondContact OG1-OD2 2.89Å; D54-N57 PolarHBondContact O-N 3.17Å; D54-Q58 PolarHBondContact O-N 3.47Å |
| 55 | M | 36.9 | Very low | 37.3 | Very low | 89 Ų | 89 | 109 Ų | 109 | 44% | 0.438 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.3 | -43.9 | 172 | -66.1 | -159.6 | -177.6 | 0 | 0 | 111.2 | V50 T51 L52 N57 Q58 F59 | V50-M55 HydrophobicContact CB-CE 4.03Å; V50-M55 HydrophobicContact CG1-CE 3.76Å; V50-M55 HydrophobicContact CG1-CG 3.47Å; V50-M55 VanDerWaalsContact CG1-CG 3.47Å; T51-M55 PolarHBondContact O-N 2.87Å; T51-M55 VanDerWaalsContact O-N 3.13Å; L52-M55 PolarHBondContact O-N 3.13Å; M55-N57 VanDerWaalsContact C-N 3.3Å; M55-N57 PolarHBondContact O-N 3.3Å; M55-Q58 PolarHBondContact O-N 3.02Å; M55-F59 HydrophobicContact CB-CD2 4.48Å; M55-F59 VanDerWaalsContact O-CB 3.28Å; M55-F59 WeakPolarHBondContact O-CB 3.28Å; M55-F59 VanDerWaalsContact O-CD2 3.26Å; M55-F59 WeakPolarHBondContact O-CD2 3.26Å; M55-F59 PolarHBondContact O-N 3.34Å |
| 56 | T | 40.4 | Very low | 38 | Very low | 75 Ų | 75 | 104.2 Ų | 104.2 | 46% | 0.46 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63 | -36.6 | 178 | 45.4 | 0 | 0 | 0 | 0 | 112.5 | L52 G53 C60 | L52-T56 WeakPolarHBondContact O-CG2 3.3Å; L52-T56 PolarHBondContact O-N 3.47Å; L52-T56 PolarHBondContact O-OG1 3.13Å; L52-T56 VanDerWaalsContact O-OG1 3.05Å; G53-T56 VanDerWaalsContact CA-OG1 3.31Å; G53-T56 WeakPolarHBondContact CA-OG1 3.48Å; G53-T56 PolarHBondContact O-N 3.02Å; G53-T56 PolarHBondContact O-OG1 3.32Å; T56-C60 WeakPolarHBondContact O-CB 3.38Å; T56-C60 PolarHBondContact O-N 3.31Å; T56-C60 PolarHBondContact O-SG 3.31Å |
| 57 | N | 40.7 | Very low | 38.8 | Very low | 105 Ų | 105 | 104.3 Ų | 104.3 | 56% | 0.561 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -74 | -36.9 | 178.3 | -76.3 | -22.3 | 0 | 0 | 0 | 113.1 | G53 D54 M55 C60 I61 | G53-N57 PolarHBondContact O-N 3.36Å; G53-N57 VanDerWaalsContact O-N 3.11Å; G53-N57 PolarHBondContact O-ND2 3.08Å; D54-N57 PolarHBondContact O-N 3.17Å; M55-N57 VanDerWaalsContact C-N 3.3Å; M55-N57 PolarHBondContact O-N 3.3Å; N57-C60 PolarHBondContact O-N 3.47Å; N57-I61 WeakPolarHBondContact O-CG1 3.48Å; N57-I61 PolarHBondContact O-N 2.95Å |
| 58 | Q | 42.7 | Very low | 39.9 | Very low | 135 Ų | 135 | 107.3 Ų | 107.3 | 63% | 0.631 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -71.4 | -37.5 | 174.3 | -76.7 | -176.3 | 2.4 | 0 | 0 | 112.3 | D54 M55 C60 I61 V62 | D54-Q58 PolarHBondContact O-N 3.47Å; M55-Q58 PolarHBondContact O-N 3.02Å; Q58-C60 VanDerWaalsContact C-N 3.35Å; Q58-I61 PolarHBondContact O-N 3.4Å; Q58-V62 PolarHBondContact O-N 2.8Å |
| 59 | F | 38.6 | Very low | 40.8 | Very low | 109 Ų | 109 | 104.8 Ų | 104.8 | 48% | 0.478 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.1 | -40.3 | 172.5 | -92.6 | -83.1 | 0 | 0 | 0 | 110.9 | M55 I61 V62 F63 | M55-F59 HydrophobicContact CB-CD2 4.48Å; M55-F59 VanDerWaalsContact O-CB 3.28Å; M55-F59 WeakPolarHBondContact O-CB 3.28Å; M55-F59 VanDerWaalsContact O-CD2 3.26Å; M55-F59 WeakPolarHBondContact O-CD2 3.26Å; M55-F59 PolarHBondContact O-N 3.34Å; F59-I61 PolarHBondContact O-N 2.95Å; F59-V62 PolarHBondContact O-N 3.06Å; F59-V62 VanDerWaalsContact O-N 3.12Å; F59-F63 HydrophobicContact CB-CD2 4.11Å; F59-F63 HydrophobicContact CB-CE2 3.52Å; F59-F63 HydrophobicContact CB-CZ 4.14Å; F59-F63 HydrophobicContact CD1-CE2 4.15Å; F59-F63 AromaticContact CD1-CZ 3.89Å; F59-F63 HydrophobicContact CD1-CZ 3.89Å; F59-F63 HydrophobicContact CG-CE2 4.3Å; F59-F63 HydrophobicContact CG-CZ 4.46Å; F59-F63 WeakPolarHBondContact O-CB 3.36Å; F59-F63 WeakPolarHBondContact O-CD2 3.12Å; F59-F63 WeakPolarHBondContact O-CG 3.24Å; F59-F63 PolarHBondContact O-N 3.24Å |
| 60 | C | 39.4 | Very low | 41.5 | Very low | 72 Ų | 72 | 102.2 Ų | 102.2 | 49% | 0.486 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -57.1 | -29.4 | 172 | -77.8 | 0 | 0 | 0 | 0 | 114.8 | T56 N57 Q58 | T56-C60 WeakPolarHBondContact O-CB 3.38Å; T56-C60 PolarHBondContact O-N 3.31Å; T56-C60 PolarHBondContact O-SG 3.31Å; N57-C60 PolarHBondContact O-N 3.47Å; Q58-C60 VanDerWaalsContact C-N 3.35Å |
| 61 | I | 41.9 | Very low | 42 | Very low | 124 Ų | 124 | 101.4 Ų | 101.4 | 64% | 0.636 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -78.3 | -34.5 | 177.5 | -65 | 165.7 | 0 | 0 | 0 | 111.2 | N57 Q58 F59 | N57-I61 WeakPolarHBondContact O-CG1 3.48Å; N57-I61 PolarHBondContact O-N 2.95Å; Q58-I61 PolarHBondContact O-N 3.4Å; F59-I61 PolarHBondContact O-N 2.95Å |
| 62 | V | 42.9 | Very low | 42.6 | Very low | 89 Ų | 89 | 103.1 Ų | 103.1 | 54% | 0.539 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -76.5 | -27.5 | 175.6 | -177.8 | 0 | 0 | 0 | 0 | 111.6 | Q58 F59 N64 Y65 | Q58-V62 PolarHBondContact O-N 2.8Å; F59-V62 PolarHBondContact O-N 3.06Å; F59-V62 VanDerWaalsContact O-N 3.12Å; V62-N64 PolarHBondContact O-N 3.26Å; V62-Y65 PolarHBondContact O-N 3.08Å |
| 63 | F | 42.3 | Very low | 43.1 | Very low | 35 Ų | 35 | 100.8 Ų | 100.8 | 15% | 0.154 | 53% | 0.527 | C | S | . | . | G | 310 helix | trans | -65.1 | -15.5 | -179.3 | -77.5 | -50.2 | 0 | 0 | 0 | 115.1 | F59 Y65 M71 V74 I78 | F59-F63 HydrophobicContact CB-CD2 4.11Å; F59-F63 HydrophobicContact CB-CE2 3.52Å; F59-F63 HydrophobicContact CB-CZ 4.14Å; F59-F63 HydrophobicContact CD1-CE2 4.15Å; F59-F63 AromaticContact CD1-CZ 3.89Å; F59-F63 HydrophobicContact CD1-CZ 3.89Å; F59-F63 HydrophobicContact CG-CE2 4.3Å; F59-F63 HydrophobicContact CG-CZ 4.46Å; F59-F63 WeakPolarHBondContact O-CB 3.36Å; F59-F63 WeakPolarHBondContact O-CD2 3.12Å; F59-F63 WeakPolarHBondContact O-CG 3.24Å; F59-F63 PolarHBondContact O-N 3.24Å; F63-Y65 VanDerWaalsContact C-N 3.28Å; F63-Y65 PolarHBondContact O-N 2.65Å; F63-M71 HydrophobicContact CB-CE 4.03Å; F63-M71 HydrophobicContact CB-SD 4.43Å; F63-M71 HydrophobicContact CD1-CE 4.37Å; F63-M71 HydrophobicContact CD1-SD 3.66Å; F63-M71 HydrophobicContact CE1-SD 4.33Å; F63-M71 HydrophobicContact CG-CE 4.5Å; F63-M71 HydrophobicContact CG-SD 4.32Å; F63-M71 VanDerWaalsContact O-CE 3.31Å; F63-M71 WeakPolarHBondContact O-CE 3.43Å; F63-V74 HydrophobicContact CE1-CB 4.31Å; F63-V74 HydrophobicContact CE1-CG1 3.67Å; F63-V74 HydrophobicContact CZ-CG1 3.82Å; F63-I78 HydrophobicContact CZ-CD1 4.09Å |
| 64 | N | 45.3 | Very low | 43.6 | Very low | 138 Ų | 138 | 101 Ų | 101 | 74% | 0.738 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -77.8 | -7.1 | 177.2 | -75.4 | -31.8 | 0 | 0 | 0 | 114.5 | V62 | V62-N64 PolarHBondContact O-N 3.26Š|
| 65 | Y | 51.4 | Low | 44.1 | Very low | 208 Ų | 208 | 101.4 Ų | 101.4 | 82% | 0.816 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -114.7 | 9.1 | -175.5 | -79.5 | -81.4 | 0 | 0 | 0 | 114.8 | V62 F63 | V62-Y65 PolarHBondContact O-N 3.08Å; F63-Y65 VanDerWaalsContact C-N 3.28Å; F63-Y65 PolarHBondContact O-N 2.65Å |
| 66 | L | 44.3 | Very low | 44.4 | Very low | 81 Ų | 81 | 101 Ų | 101 | 42% | 0.424 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -117 | 131.1 | -174.9 | -72.9 | 169.3 | 0 | 0 | 0 | 111.4 | ||
| 67 | N | 47.2 | Very low | 44.5 | Very low | 131 Ų | 131 | 101.9 Ų | 101.9 | 70% | 0.701 | 52% | 0.523 | S | S | * | . | trans | -54 | 154.7 | 177.8 | -70.8 | -16.6 | 0 | 0 | 0 | 112.7 | D69 T70 M71 | N67-D69 PolarHBondContact O-N 3.41Å; N67-T70 PolarHBondContact N-OG1 2.84Å; N67-T70 PolarHBondContact O-N 3.04Å; N67-T70 PolarHBondContact O-OG1 3.35Å; N67-M71 PolarHBondContact O-N 3.47Å | ||
| 68 | E | 50.1 | Low | 44.7 | Very low | 174 Ų | 174 | 101.3 Ų | 101.3 | 81% | 0.813 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -53.4 | -30.4 | -179.9 | -76 | -179.3 | 147.4 | 0 | 0 | 114 | M71 N72 | E68-M71 WeakPolarHBondContact O-CB 3.4Å; E68-M71 PolarHBondContact O-N 3.08Å; E68-N72 PolarHBondContact O-N 2.8Å |
| 69 | D | 45.2 | Very low | 44.8 | Very low | 132 Ų | 132 | 99.6 Ų | 99.6 | 71% | 0.706 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -72 | -35.3 | 179.3 | -69.2 | -31.1 | 0 | 0 | 0 | 113.3 | N67 | N67-D69 PolarHBondContact O-N 3.41Å |
| 70 | T | 48.6 | Very low | 45 | Very low | 60 Ų | 60 | 101.4 Ų | 101.4 | 37% | 0.368 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -75.6 | -28 | 175.7 | 40 | 0 | 0 | 0 | 0 | 111.6 | N67 N72 V73 V74 | N67-T70 PolarHBondContact N-OG1 2.84Å; N67-T70 PolarHBondContact O-N 3.04Å; N67-T70 PolarHBondContact O-OG1 3.35Å; T70-N72 VanDerWaalsContact C-N 3.31Å; T70-N72 PolarHBondContact O-N 3.4Å; T70-V73 PolarHBondContact O-N 3.44Å; T70-V74 WeakPolarHBondContact O-CG2 3.43Å; T70-V74 PolarHBondContact O-N 3.13Å; T70-V74 VanDerWaalsContact O-N 3.1Å |
| 71 | M | 43.9 | Very low | 44.8 | Very low | 61 Ų | 61 | 104.6 Ų | 104.6 | 30% | 0.3 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.5 | -39.3 | 173.2 | -74.4 | -71.6 | -135.9 | 0 | 0 | 112.3 | F63 N67 E68 N75 | F63-M71 HydrophobicContact CB-CE 4.03Å; F63-M71 HydrophobicContact CB-SD 4.43Å; F63-M71 HydrophobicContact CD1-CE 4.37Å; F63-M71 HydrophobicContact CD1-SD 3.66Å; F63-M71 HydrophobicContact CE1-SD 4.33Å; F63-M71 HydrophobicContact CG-CE 4.5Å; F63-M71 HydrophobicContact CG-SD 4.32Å; F63-M71 VanDerWaalsContact O-CE 3.31Å; F63-M71 WeakPolarHBondContact O-CE 3.43Å; N67-M71 PolarHBondContact O-N 3.47Å; E68-M71 WeakPolarHBondContact O-CB 3.4Å; E68-M71 PolarHBondContact O-N 3.08Å; M71-N75 WeakPolarHBondContact O-CB 3.46Å; M71-N75 PolarHBondContact O-N 3.1Å; M71-N75 PolarHBondContact O-ND2 3.3Å |
| 72 | N | 47.6 | Very low | 44.3 | Very low | 114 Ų | 114 | 105.4 Ų | 105.4 | 61% | 0.61 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.6 | -38.5 | 178.6 | -85.1 | -30.5 | 0 | 0 | 0 | 112.8 | E68 T70 M76 | E68-N72 PolarHBondContact O-N 2.8Å; T70-N72 VanDerWaalsContact C-N 3.31Å; T70-N72 PolarHBondContact O-N 3.4Å; N72-M76 WeakPolarHBondContact O-CB 3.45Å; N72-M76 PolarHBondContact O-N 2.82Å |
| 73 | V | 43.2 | Very low | 43.8 | Very low | 79 Ų | 79 | 107.3 Ų | 107.3 | 48% | 0.479 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.5 | -42 | 179.5 | -179.3 | 0 | 0 | 0 | 0 | 111 | T70 M76 L77 | T70-V73 PolarHBondContact O-N 3.44Å; V73-M76 PolarHBondContact O-N 3.12Å; V73-L77 HydrophobicContact CG1-CD1 4.09Å; V73-L77 VanDerWaalsContact O-CG 3.3Å; V73-L77 WeakPolarHBondContact O-CG 3.3Å; V73-L77 PolarHBondContact O-N 3.05Å |
| 74 | V | 44.4 | Very low | 43.2 | Very low | 39 Ų | 39 | 109.6 Ų | 109.6 | 24% | 0.236 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -71.8 | -42.5 | 179 | 179.6 | 0 | 0 | 0 | 0 | 111.2 | F63 T70 M76 L77 I78 | F63-V74 HydrophobicContact CE1-CB 4.31Å; F63-V74 HydrophobicContact CE1-CG1 3.67Å; F63-V74 HydrophobicContact CZ-CG1 3.82Å; T70-V74 WeakPolarHBondContact O-CG2 3.43Å; T70-V74 PolarHBondContact O-N 3.13Å; T70-V74 VanDerWaalsContact O-N 3.1Å; V74-M76 VanDerWaalsContact C-N 3.25Å; V74-M76 PolarHBondContact O-N 2.74Å; V74-L77 PolarHBondContact O-N 3.05Å; V74-L77 VanDerWaalsContact O-N 3.13Å; V74-I78 HydrophobicContact CG1-CD1 3.65Å; V74-I78 HydrophobicContact CG1-CG1 4.27Å; V74-I78 WeakPolarHBondContact O-CB 3.36Å; V74-I78 VanDerWaalsContact O-CG1 3.26Å; V74-I78 WeakPolarHBondContact O-CG1 3.38Å; V74-I78 PolarHBondContact O-N 2.95Å |
| 75 | N | 48.8 | Very low | 42.3 | Very low | 80 Ų | 80 | 110.2 Ų | 110.2 | 43% | 0.428 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62 | -33.5 | 172.2 | -79.3 | -31.6 | 0 | 0 | 0 | 112.3 | M71 S79 | M71-N75 WeakPolarHBondContact O-CB 3.46Å; M71-N75 PolarHBondContact O-N 3.1Å; M71-N75 PolarHBondContact O-ND2 3.3Å; N75-S79 WeakPolarHBondContact O-CB 2.98Å; N75-S79 PolarHBondContact O-N 3.19Å; N75-S79 PolarHBondContact O-OG 3.39Å |
| 76 | M | 44.4 | Very low | 41.2 | Very low | 80 Ų | 80 | 103.6 Ų | 103.6 | 39% | 0.394 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.1 | -38.9 | 173.6 | -169.3 | -175.8 | 73.5 | 0 | 0 | 112 | N72 V73 V74 K80 | N72-M76 WeakPolarHBondContact O-CB 3.45Å; N72-M76 PolarHBondContact O-N 2.82Å; V73-M76 PolarHBondContact O-N 3.12Å; V74-M76 VanDerWaalsContact C-N 3.25Å; V74-M76 PolarHBondContact O-N 2.74Å; M76-K80 HydrophobicContact CG-CD 3.89Å; M76-K80 HydrophobicContact CG-CG 4.48Å; M76-K80 VanDerWaalsContact O-CB 3.24Å; M76-K80 WeakPolarHBondContact O-CB 3.34Å; M76-K80 WeakPolarHBondContact O-CG 3.3Å; M76-K80 PolarHBondContact O-N 3.38Å; M76-K80 VanDerWaalsContact O-N 3.13Å |
| 77 | L | 41.1 | Very low | 40.6 | Very low | 93 Ų | 93 | 102.7 Ų | 102.7 | 49% | 0.487 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -70.2 | -37.1 | 176.7 | -74.7 | 164.8 | 0 | 0 | 0 | 112.3 | V73 V74 R81 | V73-L77 HydrophobicContact CG1-CD1 4.09Å; V73-L77 VanDerWaalsContact O-CG 3.3Å; V73-L77 WeakPolarHBondContact O-CG 3.3Å; V73-L77 PolarHBondContact O-N 3.05Å; V74-L77 PolarHBondContact O-N 3.05Å; V74-L77 VanDerWaalsContact O-N 3.13Å; L77-R81 PolarHBondContact O-N 3.15Å |
| 78 | I | 46 | Very low | 40 | Very low | 94 Ų | 94 | 101.9 Ų | 101.9 | 48% | 0.482 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -73.1 | -42.6 | 176.8 | -65.3 | 168.6 | 0 | 0 | 0 | 110.9 | F63 V74 K80 | F63-I78 HydrophobicContact CZ-CD1 4.09Å; V74-I78 HydrophobicContact CG1-CD1 3.65Å; V74-I78 HydrophobicContact CG1-CG1 4.27Å; V74-I78 WeakPolarHBondContact O-CB 3.36Å; V74-I78 VanDerWaalsContact O-CG1 3.26Å; V74-I78 WeakPolarHBondContact O-CG1 3.38Å; V74-I78 PolarHBondContact O-N 2.95Å; I78-K80 PolarHBondContact O-N 2.97Å |
| 79 | S | 44.6 | Very low | 39.2 | Very low | 99 Ų | 99 | 97.1 Ų | 97.1 | 69% | 0.692 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -75 | -21.5 | -178.6 | -63.9 | 0 | 0 | 0 | 0 | 114 | N75 | N75-S79 WeakPolarHBondContact O-CB 2.98Å; N75-S79 PolarHBondContact O-N 3.19Å; N75-S79 PolarHBondContact O-OG 3.39Å |
| 80 | K | 42.6 | Very low | 38.6 | Very low | 146 Ų | 146 | 99.9 Ų | 99.9 | 64% | 0.635 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -104.2 | -8.4 | -177.2 | -67.2 | -174.2 | 178.3 | 176.2 | 0 | 114.9 | M76 I78 F82 | M76-K80 HydrophobicContact CG-CD 3.89Å; M76-K80 HydrophobicContact CG-CG 4.48Å; M76-K80 VanDerWaalsContact O-CB 3.24Å; M76-K80 WeakPolarHBondContact O-CB 3.34Å; M76-K80 WeakPolarHBondContact O-CG 3.3Å; M76-K80 PolarHBondContact O-N 3.38Å; M76-K80 VanDerWaalsContact O-N 3.13Å; I78-K80 PolarHBondContact O-N 2.97Å; K80-F82 PolarHBondContact O-N 3.02Å |
| 81 | R | 34.6 | Very low | 37.8 | Very low | 140 Ų | 140 | 99.7 Ų | 99.7 | 53% | 0.528 | 53% | 0.534 | S | S | . | . | trans | -86.7 | 97.5 | 170 | -79.6 | -167.3 | 168.9 | 156 | -10.8 | 110.1 | L77 Y83 | L77-R81 PolarHBondContact O-N 3.15Å; R81-Y83 HydrophobicContact CB-CD2 3.47Å; R81-Y83 VanDerWaalsContact CB-CD2 3.47Å; R81-Y83 HydrophobicContact CB-CE2 3.26Å; R81-Y83 HydrophobicContact CB-CG 4.25Å; R81-Y83 WeakPolarHBondContact CD-OH 3.39Å; R81-Y83 HydrophobicContact CG-CE2 3.95Å; R81-Y83 PolarHBondContact NH1-OH 3.46Å; R81-Y83 WeakPolarHBondContact O-CD2 3.32Å; R81-Y83 PolarHBondContact O-N 3.38Å | ||
| 82 | F | 31.2 | Very low | 37.3 | Very low | 140 Ų | 140 | 104.3 Ų | 104.3 | 61% | 0.614 | 56% | 0.558 | S | S | * | * | trans | -62.7 | 81.7 | 156.7 | -72.9 | -88.8 | 0 | 0 | 0 | 108.7 | K80 T84 | K80-F82 PolarHBondContact O-N 3.02Å; F82-T84 PolarHBondContact O-N 3.2Å | ||
| 83 | Y | 33.5 | Very low | 36.8 | Very low | 130 Ų | 130 | 104.5 Ų | 104.5 | 51% | 0.51 | 56% | 0.563 | S | S | . | * | trans | -77.7 | 103.2 | 167.5 | -70 | -78.5 | 0 | 0 | 0 | 108.6 | R81 F85 | R81-Y83 HydrophobicContact CB-CD2 3.47Å; R81-Y83 VanDerWaalsContact CB-CD2 3.47Å; R81-Y83 HydrophobicContact CB-CE2 3.26Å; R81-Y83 HydrophobicContact CB-CG 4.25Å; R81-Y83 WeakPolarHBondContact CD-OH 3.39Å; R81-Y83 HydrophobicContact CG-CE2 3.95Å; R81-Y83 PolarHBondContact NH1-OH 3.46Å; R81-Y83 WeakPolarHBondContact O-CD2 3.32Å; R81-Y83 PolarHBondContact O-N 3.38Å; Y83-F85 VanDerWaalsContact C-N 3.29Å; Y83-F85 HydrophobicContact CD1-CD2 4.47Å; Y83-F85 AromaticContact CD1-CE2 3.67Å; Y83-F85 HydrophobicContact CD1-CE2 3.67Å; Y83-F85 HydrophobicContact CD1-CZ 4.14Å; Y83-F85 HydrophobicContact CD2-CE2 4.5Å; Y83-F85 HydrophobicContact CE1-CE2 4.4Å; Y83-F85 HydrophobicContact CG-CD2 4.24Å; Y83-F85 AromaticContact CG-CE2 3.69Å; Y83-F85 HydrophobicContact CG-CE2 3.69Å; Y83-F85 PolarHBondContact O-N 2.9Å; Y83-F85 VanDerWaalsContact O-N 3.12Å | ||
| 84 | T | 28.5 | Very low | 36.5 | Very low | 83 Ų | 83 | 109.5 Ų | 109.5 | 51% | 0.509 | 58% | 0.578 | S | S | . | * | trans | -75.3 | 87.8 | 160.3 | 49.1 | 0 | 0 | 0 | 0 | 107.7 | F82 T117 | F82-T84 PolarHBondContact O-N 3.2Å; T84-T117 HydrophobicContact CG2-CG2 3.98Å | ||
| 85 | F | 26.9 | Very low | 36.1 | Very low | 151 Ų | 151 | 116.2 Ų | 116.2 | 66% | 0.662 | 60% | 0.6 | S | S | * | * | trans | -86.2 | 108 | 164.7 | -80.1 | -78.2 | 0 | 0 | 0 | 108.3 | Y83 P87 | Y83-F85 VanDerWaalsContact C-N 3.29Å; Y83-F85 HydrophobicContact CD1-CD2 4.47Å; Y83-F85 AromaticContact CD1-CE2 3.67Å; Y83-F85 HydrophobicContact CD1-CE2 3.67Å; Y83-F85 HydrophobicContact CD1-CZ 4.14Å; Y83-F85 HydrophobicContact CD2-CE2 4.5Å; Y83-F85 HydrophobicContact CE1-CE2 4.4Å; Y83-F85 HydrophobicContact CG-CD2 4.24Å; Y83-F85 AromaticContact CG-CE2 3.69Å; Y83-F85 HydrophobicContact CG-CE2 3.69Å; Y83-F85 PolarHBondContact O-N 2.9Å; Y83-F85 VanDerWaalsContact O-N 3.12Å; F85-P87 WeakPolarHBondContact O-CD 3.36Å | ||
| 86 | S | 27.9 | Very low | 35.5 | Very low | 68 Ų | 68 | 118.2 Ų | 118.2 | 48% | 0.476 | 62% | 0.617 | S | S | . | * | P | Polyproline II helix | trans | -64.9 | 121.9 | 153 | 25 | 0 | 0 | 0 | 0 | 107.1 | ||
| 87 | P | 31.5 | Very low | 35.5 | Very low | 62 Ų | 62 | 116.7 Ų | 116.7 | 40% | 0.403 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -53 | 137.6 | 168.1 | -20.2 | 29.1 | 0 | 0 | 0 | 109.1 | F85 A89 | F85-P87 WeakPolarHBondContact O-CD 3.36Å; P87-A89 PolarHBondContact O-N 3.44Å |
| 88 | P | 34.8 | Very low | 35.5 | Very low | 115 Ų | 115 | 115.7 Ų | 115.7 | 75% | 0.747 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 118.3 | 175.1 | 9.9 | -11.2 | 0 | 0 | 0 | 108.4 | F90 | P88-F90 PolarHBondContact O-N 3.3Å; P88-F90 VanDerWaalsContact O-N 3.11Å |
| 89 | A | 34.7 | Very low | 35.2 | Very low | 74 Ų | 74 | 118.4 Ų | 118.4 | 61% | 0.612 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -69.6 | 6.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | P87 | P87-A89 PolarHBondContact O-N 3.44Š|
| 90 | F | 31.1 | Very low | 34.8 | Very low | 190 Ų | 190 | 119.1 Ų | 119.1 | 83% | 0.833 | 62% | 0.623 | S | S | * | * | trans | -135.7 | 72.1 | -173.8 | -56.5 | -71.8 | 0 | 0 | 0 | 109.2 | P88 | P88-F90 PolarHBondContact O-N 3.3Å; P88-F90 VanDerWaalsContact O-N 3.11Å | ||
| 91 | G | 33.5 | Very low | 34.5 | Very low | 56 Ų | 56 | 119.5 Ų | 119.5 | 58% | 0.577 | 62% | 0.621 | S | S | * | * | trans | -105.1 | 157.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | V93 | G91-V93 PolarHBondContact O-N 3.49Å; G91-V93 VanDerWaalsContact O-N 3.12Å | ||
| 92 | I | 33.7 | Very low | 34.2 | Very low | 157 Ų | 157 | 117.7 Ų | 117.7 | 81% | 0.805 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -64.1 | -17.9 | 179.6 | -50.5 | 167.7 | 0 | 0 | 0 | 111.5 | K94 | I92-K94 PolarHBondContact O-N 2.9Š|
| 93 | V | 36 | Very low | 34.2 | Very low | 119 Ų | 119 | 119.1 Ų | 119.1 | 72% | 0.721 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -88.1 | 103 | -179.7 | -173.6 | 0 | 0 | 0 | 0 | 109.3 | G91 R95 | G91-V93 PolarHBondContact O-N 3.49Å; G91-V93 VanDerWaalsContact O-N 3.12Å; V93-R95 PolarHBondContact O-N 3.14Å |
| 94 | K | 37.2 | Very low | 34.2 | Very low | 183 Ų | 183 | 117 Ų | 117 | 80% | 0.796 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 121.5 | 168.3 | -73.2 | -172 | 175 | -170.4 | 0 | 109.5 | I92 D98 | I92-K94 PolarHBondContact O-N 2.9Å; K94-D98 VanDerWaalsContact CA-OD2 3.26Å; K94-D98 WeakPolarHBondContact CA-OD2 3.36Å |
| 95 | R | 36.7 | Very low | 34.3 | Very low | 181 Ų | 181 | 116.2 Ų | 116.2 | 68% | 0.683 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 143.1 | 169.3 | -63.2 | -172.8 | -173.2 | -156.2 | 1.3 | 109.1 | V93 G97 D98 | V93-R95 PolarHBondContact O-N 3.14Å; R95-G97 PolarHBondContact O-N 2.89Å; R95-G97 VanDerWaalsContact O-N 3.11Å; R95-D98 PolarHBondContact N-OD2 2.92Å; R95-D98 WeakPolarHBondContact O-CB 3.42Å; R95-D98 PolarHBondContact O-N 3.32Å |
| 96 | P | 35.8 | Very low | 34.4 | Very low | 122 Ų | 122 | 112.6 Ų | 112.6 | 79% | 0.792 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.7 | 120.2 | 166.2 | -19 | 30.3 | 0 | 0 | 0 | 108.7 | ||
| 97 | G | 42.8 | Very low | 34.5 | Very low | 47 Ų | 47 | 114 Ų | 114 | 49% | 0.485 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 110.9 | -4.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | R95 D99 F100 | R95-G97 PolarHBondContact O-N 2.89Å; R95-G97 VanDerWaalsContact O-N 3.11Å; G97-D99 PolarHBondContact O-N 2.95Å; G97-D99 VanDerWaalsContact O-N 3.12Å; G97-F100 WeakPolarHBondContact O-CD2 3.37Å; G97-F100 WeakPolarHBondContact O-CE2 3.17Å; G97-F100 VanDerWaalsContact O-CZ 3.29Å; G97-F100 WeakPolarHBondContact O-CZ 3.45Å |
| 98 | D | 41.2 | Very low | 34.6 | Very low | 73 Ų | 73 | 113.2 Ų | 113.2 | 39% | 0.39 | 61% | 0.612 | S | S | . | * | trans | -71.9 | 7.1 | 174.4 | -76.8 | -12.5 | 0 | 0 | 0 | 114.4 | K94 R95 F100 | K94-D98 VanDerWaalsContact CA-OD2 3.26Å; K94-D98 WeakPolarHBondContact CA-OD2 3.36Å; R95-D98 PolarHBondContact N-OD2 2.92Å; R95-D98 WeakPolarHBondContact O-CB 3.42Å; R95-D98 PolarHBondContact O-N 3.32Å; D98-F100 PolarHBondContact O-N 3.49Å | ||
| 99 | D | 40.6 | Very low | 34.5 | Very low | 151 Ų | 151 | 116 Ų | 116 | 81% | 0.807 | 62% | 0.615 | S | S | * | * | trans | -80.4 | 49.4 | 170.8 | -64.9 | -31.2 | 0 | 0 | 0 | 111.2 | G97 Y101 | G97-D99 PolarHBondContact O-N 2.95Å; G97-D99 VanDerWaalsContact O-N 3.12Å; D99-Y101 PolarHBondContact O-N 3.45Å | ||
| 100 | F | 37 | Very low | 34.3 | Very low | 114 Ų | 114 | 120.8 Ų | 120.8 | 50% | 0.5 | 63% | 0.625 | S | S | . | * | trans | -74.9 | 124.6 | 173.8 | -65.4 | -73 | 0 | 0 | 0 | 109.6 | G97 D98 Q104 | G97-F100 WeakPolarHBondContact O-CD2 3.37Å; G97-F100 WeakPolarHBondContact O-CE2 3.17Å; G97-F100 VanDerWaalsContact O-CZ 3.29Å; G97-F100 WeakPolarHBondContact O-CZ 3.45Å; D98-F100 PolarHBondContact O-N 3.49Å; F100-Q104 HydrophobicContact CD1-CB 4.4Å | ||
| 101 | Y | 34.8 | Very low | 34.4 | Very low | 153 Ų | 153 | 112.5 Ų | 112.5 | 60% | 0.6 | 59% | 0.591 | S | S | * | * | trans | -65.2 | 142.9 | 167.7 | -72.7 | -82.5 | 0 | 0 | 0 | 109.2 | D99 W103 Q104 | D99-Y101 PolarHBondContact O-N 3.45Å; Y101-W103 VanDerWaalsContact CB-CD1 3.44Å; Y101-W103 AromaticContact CG-NE1 3.72Å; Y101-W103 PolarHBondContact O-N 3.3Å; Y101-Q104 WeakPolarHBondContact O-CB 3.04Å; Y101-Q104 PolarHBondContact O-N 2.93Å | ||
| 102 | P | 29.7 | Very low | 34.5 | Very low | 103 Ų | 103 | 114 Ų | 114 | 67% | 0.669 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -48.8 | -35.5 | -177.5 | -30.6 | 34.6 | 0 | 0 | 0 | 114.4 | Q104 C105 V106 | P102-Q104 VanDerWaalsContact C-N 3.28Å; P102-Q104 PolarHBondContact O-N 3.28Å; P102-C105 PolarHBondContact O-N 3.13Å; P102-C105 VanDerWaalsContact O-N 3.15Å; P102-V106 WeakPolarHBondContact O-CG2 3.39Å; P102-V106 PolarHBondContact O-N 3.27Å; P102-V106 VanDerWaalsContact O-N 3.16Å |
| 103 | W | 31.3 | Very low | 34.8 | Very low | 169 Ų | 169 | 112.4 Ų | 112.4 | 64% | 0.64 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.6 | -22.3 | 178.1 | 66.4 | -95.4 | 0 | 0 | 0 | 114.3 | Y101 C105 | Y101-W103 VanDerWaalsContact CB-CD1 3.44Å; Y101-W103 AromaticContact CG-NE1 3.72Å; Y101-W103 PolarHBondContact O-N 3.3Å; W103-C105 VanDerWaalsContact C-N 3.33Å |
| 104 | Q | 33.2 | Very low | 34.8 | Very low | 85 Ų | 85 | 110.4 Ų | 110.4 | 40% | 0.397 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -76.4 | -22.5 | 174.9 | -62.9 | 175.8 | -56.7 | 0 | 0 | 111.9 | F100 Y101 P102 | F100-Q104 HydrophobicContact CD1-CB 4.4Å; Y101-Q104 WeakPolarHBondContact O-CB 3.04Å; Y101-Q104 PolarHBondContact O-N 2.93Å; P102-Q104 VanDerWaalsContact C-N 3.28Å; P102-Q104 PolarHBondContact O-N 3.28Å |
| 105 | C | 30.5 | Very low | 34.6 | Very low | 67 Ų | 67 | 102.6 Ų | 102.6 | 45% | 0.453 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -90.1 | -24.5 | 174.2 | -61.6 | 0 | 0 | 0 | 0 | 112.8 | P102 W103 L107 A108 | P102-C105 PolarHBondContact O-N 3.13Å; P102-C105 VanDerWaalsContact O-N 3.15Å; W103-C105 VanDerWaalsContact C-N 3.33Å; C105-L107 VanDerWaalsContact C-N 3.28Å; C105-L107 PolarHBondContact O-N 3.32Å; C105-A108 WeakPolarHBondContact O-CB 3.37Å; C105-A108 PolarHBondContact O-N 3.33Å |
| 106 | V | 29 | Very low | 34.5 | Very low | 76 Ų | 76 | 96.1 Ų | 96.1 | 46% | 0.461 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65 | -27.6 | -177 | 168.8 | 0 | 0 | 0 | 0 | 113.1 | P102 A108 | P102-V106 WeakPolarHBondContact O-CG2 3.39Å; P102-V106 PolarHBondContact O-N 3.27Å; P102-V106 VanDerWaalsContact O-N 3.16Å; V106-A108 PolarHBondContact O-N 2.78Å |
| 107 | L | 30.4 | Very low | 34.6 | Very low | 96 Ų | 96 | 92.9 Ų | 92.9 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.1 | -10.6 | 173.9 | -68.2 | 173 | 0 | 0 | 0 | 113.6 | C105 A111 Y119 | C105-L107 VanDerWaalsContact C-N 3.28Å; C105-L107 PolarHBondContact O-N 3.32Å; L107-A111 WeakPolarHBondContact O-CB 3.26Å; L107-Y119 HydrophobicContact CB-CD1 4.15Å; L107-Y119 HydrophobicContact CB-CE1 4.21Å |
| 108 | A | 32.5 | Very low | 34.2 | Very low | 46 Ų | 46 | 92.7 Ų | 92.7 | 38% | 0.38 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -93.5 | -24.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | C105 V106 T116 | C105-A108 WeakPolarHBondContact O-CB 3.37Å; C105-A108 PolarHBondContact O-N 3.33Å; V106-A108 PolarHBondContact O-N 2.78Å; A108-T116 WeakPolarHBondContact O-CG2 3.28Å |
| 109 | E | 32 | Very low | 33.8 | Very low | 174 Ų | 174 | 95.6 Ų | 95.6 | 81% | 0.813 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -88.7 | -29.7 | -176.7 | -72.7 | -173.8 | 160.7 | 0 | 0 | 113.6 | A111 | E109-A111 VanDerWaalsContact C-N 3.33Å |
| 110 | E | 32.3 | Very low | 33.7 | Very low | 175 Ų | 175 | 94.9 Ų | 94.9 | 82% | 0.818 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -88.8 | -2.6 | 175.7 | -63.9 | -169.1 | 164.5 | 0 | 0 | 113.4 | ||
| 111 | A | 31.8 | Very low | 34 | Very low | 15 Ų | 15 | 93.2 Ų | 93.2 | 12% | 0.124 | 48% | 0.476 | C | S | . | . | S | Bend | trans | -78.3 | 137 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | L107 E109 A115 Y119 | L107-A111 WeakPolarHBondContact O-CB 3.26Å; E109-A111 VanDerWaalsContact C-N 3.33Å; A111-A115 HydrophobicContact CB-CB 3.73Å; A111-Y119 HydrophobicContact CB-CD2 3.99Å; A111-Y119 HydrophobicContact CB-CE2 3.72Å |
| 112 | P | 35.5 | Very low | 34.1 | Very low | 89 Ų | 89 | 90.3 Ų | 90.3 | 58% | 0.578 | 48% | 0.483 | S | S | * | . | trans | -46.5 | 146.8 | 168.3 | -26.3 | 31.2 | 0 | 0 | 0 | 110.7 | M114 A115 | P112-M114 CarbonylContact O-C 3.56Å; P112-M114 PolarHBondContact O-N 2.97Å; P112-A115 HydrophobicContact CB-CB 4.33Å; P112-A115 HydrophobicContact CG-CB 4.35Å; P112-A115 WeakPolarHBondContact O-CA 3.5Å; P112-A115 WeakPolarHBondContact O-CB 3.4Å; P112-A115 PolarHBondContact O-N 3.49Å | ||
| 113 | V | 39.9 | Very low | 34.8 | Very low | 122 Ų | 122 | 88.4 Ų | 88.4 | 74% | 0.739 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | -17.4 | -173.2 | -178 | 0 | 0 | 0 | 0 | 114.8 | T116 | V113-T116 PolarHBondContact O-OG1 3.27Š|
| 114 | M | 36.1 | Very low | 35.1 | Very low | 78 Ų | 78 | 85.8 Ų | 85.8 | 38% | 0.384 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -15.4 | 173.3 | -56.4 | -155.2 | -48.1 | 0 | 0 | 115.5 | P112 T116 T117 E207 | P112-M114 CarbonylContact O-C 3.56Å; P112-M114 PolarHBondContact O-N 2.97Å; M114-T116 VanDerWaalsContact C-N 3.31Å; M114-T117 PolarHBondContact O-N 3.06Å; M114-T117 PolarHBondContact O-OG1 3.47Å; M114-E207 WeakPolarHBondContact CE-OE2 3.41Å |
| 115 | A | 33.3 | Very low | 35.4 | Very low | 19 Ų | 19 | 87.1 Ų | 87.1 | 16% | 0.157 | 47% | 0.473 | C | S | . | . | G | 310 helix | trans | -75.7 | -17.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | A111 P112 T117 V118 Y119 | A111-A115 HydrophobicContact CB-CB 3.73Å; P112-A115 HydrophobicContact CB-CB 4.33Å; P112-A115 HydrophobicContact CG-CB 4.35Å; P112-A115 WeakPolarHBondContact O-CA 3.5Å; P112-A115 WeakPolarHBondContact O-CB 3.4Å; P112-A115 PolarHBondContact O-N 3.49Å; A115-T117 PolarHBondContact O-N 3.48Å; A115-T117 VanDerWaalsContact O-N 3.12Å; A115-V118 WeakPolarHBondContact O-CB 3.39Å; A115-V118 PolarHBondContact O-N 2.98Å; A115-Y119 HydrophobicContact CB-CD2 4.45Å; A115-Y119 HydrophobicContact CB-CE2 4.18Å; A115-Y119 WeakPolarHBondContact O-CD2 3.13Å; A115-Y119 PolarHBondContact O-N 2.86Å; A115-Y119 VanDerWaalsContact O-N 3.14Å |
| 116 | T | 36 | Very low | 35.9 | Very low | 44 Ų | 44 | 87.3 Ų | 87.3 | 27% | 0.27 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -56.4 | -23.8 | 167.7 | 51.9 | 0 | 0 | 0 | 0 | 113.4 | A108 V113 M114 | A108-T116 WeakPolarHBondContact O-CG2 3.28Å; V113-T116 PolarHBondContact O-OG1 3.27Å; M114-T116 VanDerWaalsContact C-N 3.31Å |
| 117 | T | 36.5 | Very low | 36.5 | Very low | 55 Ų | 55 | 88.7 Ų | 88.7 | 34% | 0.337 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -88.1 | -17.9 | 173.1 | 63.2 | 0 | 0 | 0 | 0 | 113.9 | T84 M114 A115 | T84-T117 HydrophobicContact CG2-CG2 3.98Å; M114-T117 PolarHBondContact O-N 3.06Å; M114-T117 PolarHBondContact O-OG1 3.47Å; A115-T117 PolarHBondContact O-N 3.48Å; A115-T117 VanDerWaalsContact O-N 3.12Å |
| 118 | V | 35.3 | Very low | 37 | Very low | 42 Ų | 42 | 91.4 Ų | 91.4 | 26% | 0.255 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -31.7 | -174.9 | -179.2 | 0 | 0 | 0 | 0 | 111.1 | A115 R120 Q121 | A115-V118 WeakPolarHBondContact O-CB 3.39Å; A115-V118 PolarHBondContact O-N 2.98Å; V118-R120 PolarHBondContact O-N 3.16Å; V118-Q121 WeakPolarHBondContact O-CB 3.42Å; V118-Q121 WeakPolarHBondContact O-CG 3.36Å; V118-Q121 PolarHBondContact O-N 3.12Å; V118-Q121 VanDerWaalsContact O-N 3.07Å |
| 119 | Y | 33.3 | Very low | 37.6 | Very low | 135 Ų | 135 | 92.6 Ų | 92.6 | 53% | 0.529 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -7 | 176.5 | -76.1 | -77.8 | 0 | 0 | 0 | 114.9 | L107 A111 A115 Q121 | L107-Y119 HydrophobicContact CB-CD1 4.15Å; L107-Y119 HydrophobicContact CB-CE1 4.21Å; A111-Y119 HydrophobicContact CB-CD2 3.99Å; A111-Y119 HydrophobicContact CB-CE2 3.72Å; A115-Y119 HydrophobicContact CB-CD2 4.45Å; A115-Y119 HydrophobicContact CB-CE2 4.18Å; A115-Y119 WeakPolarHBondContact O-CD2 3.13Å; A115-Y119 PolarHBondContact O-N 2.86Å; A115-Y119 VanDerWaalsContact O-N 3.14Å; Y119-Q121 VanDerWaalsContact C-N 3.33Å |
| 120 | R | 37.9 | Very low | 37.9 | Very low | 136 Ų | 136 | 87 Ų | 87 | 51% | 0.513 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -4.8 | 169 | -73.1 | -175.4 | 174.4 | -164.9 | -0.4 | 113.9 | V118 A122 V123 | V118-R120 PolarHBondContact O-N 3.16Å; R120-A122 VanDerWaalsContact C-N 3.28Å; R120-A122 PolarHBondContact O-N 3.15Å; R120-V123 PolarHBondContact O-N 3.16Å |
| 121 | Q | 42.7 | Very low | 38.5 | Very low | 79 Ų | 79 | 82.6 Ų | 82.6 | 37% | 0.369 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -5.5 | -169.4 | -72.2 | 177 | -13.2 | 0 | 0 | 115.6 | V118 Y119 | V118-Q121 WeakPolarHBondContact O-CB 3.42Å; V118-Q121 WeakPolarHBondContact O-CG 3.36Å; V118-Q121 PolarHBondContact O-N 3.12Å; V118-Q121 VanDerWaalsContact O-N 3.07Å; Y119-Q121 VanDerWaalsContact C-N 3.33Å |
| 122 | A | 38.2 | Very low | 38.9 | Very low | 92 Ų | 92 | 87.2 Ų | 87.2 | 76% | 0.76 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.4 | 11.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R120 D124 | R120-A122 VanDerWaalsContact C-N 3.28Å; R120-A122 PolarHBondContact O-N 3.15Å; A122-D124 PolarHBondContact O-N 3.45Å |
| 123 | V | 42.7 | Very low | 39.6 | Very low | 63 Ų | 63 | 85 Ų | 85 | 38% | 0.382 | 46% | 0.458 | S | S | . | . | trans | -84.9 | 112 | 172.6 | -167 | 0 | 0 | 0 | 0 | 108.3 | R120 D127 F128 | R120-V123 PolarHBondContact O-N 3.16Å; V123-D127 HydrophobicContact CG1-CB 3.61Å; V123-F128 HydrophobicContact CB-CD2 4.27Å; V123-F128 HydrophobicContact CB-CE2 3.61Å; V123-F128 HydrophobicContact CB-CZ 4.42Å; V123-F128 HydrophobicContact CG1-CD2 3.56Å; V123-F128 HydrophobicContact CG1-CE2 3.05Å; V123-F128 HydrophobicContact CG1-CZ 3.71Å; V123-F128 HydrophobicContact CG2-CE2 4.19Å | ||
| 124 | D | 38.7 | Very low | 39.9 | Very low | 113 Ų | 113 | 89.2 Ų | 89.2 | 60% | 0.604 | 47% | 0.47 | S | S | * | . | trans | -64 | 151.2 | -172.5 | -94.8 | -38.4 | 0 | 0 | 0 | 110.8 | A122 A126 D127 | A122-D124 PolarHBondContact O-N 3.45Å; D124-A126 HydrophobicContact CB-CB 4.3Å; D124-A126 PolarHBondContact O-N 3.35Å; D124-D127 PolarHBondContact N-OD2 3.29Å; D124-D127 WeakPolarHBondContact O-CB 3.32Å; D124-D127 PolarHBondContact O-N 3.02Å | ||
| 125 | K | 38.9 | Very low | 41 | Very low | 114 Ų | 114 | 89.3 Ų | 89.3 | 50% | 0.496 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -52 | -26.2 | 169.2 | -167.6 | -160.4 | -170 | 164.9 | 0 | 111.9 | D127 E129 | K125-D127 VanDerWaalsContact C-N 3.3Å; K125-E129 WeakPolarHBondContact CE-OE2 3.47Å |
| 126 | A | 40.1 | Very low | 41.6 | Very low | 70 Ų | 70 | 91.3 Ų | 91.3 | 58% | 0.579 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.4 | -27.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D124 | D124-A126 HydrophobicContact CB-CB 4.3Å; D124-A126 PolarHBondContact O-N 3.35Å |
| 127 | D | 42.3 | Very low | 42.3 | Very low | 106 Ų | 106 | 95.8 Ų | 95.8 | 57% | 0.567 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -87 | -13 | -169.1 | -65.2 | -25.1 | 0 | 0 | 0 | 113.8 | V123 D124 K125 | V123-D127 HydrophobicContact CG1-CB 3.61Å; D124-D127 PolarHBondContact N-OD2 3.29Å; D124-D127 WeakPolarHBondContact O-CB 3.32Å; D124-D127 PolarHBondContact O-N 3.02Å; K125-D127 VanDerWaalsContact C-N 3.3Å |
| 128 | F | 42 | Very low | 42.7 | Very low | 153 Ų | 153 | 97.8 Ų | 97.8 | 67% | 0.671 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -123.4 | -9 | -178.5 | -71.9 | -60.8 | 0 | 0 | 0 | 115.8 | V123 | V123-F128 HydrophobicContact CB-CD2 4.27Å; V123-F128 HydrophobicContact CB-CE2 3.61Å; V123-F128 HydrophobicContact CB-CZ 4.42Å; V123-F128 HydrophobicContact CG1-CD2 3.56Å; V123-F128 HydrophobicContact CG1-CE2 3.05Å; V123-F128 HydrophobicContact CG1-CZ 3.71Å; V123-F128 HydrophobicContact CG2-CE2 4.19Å |
| 129 | E | 43.2 | Very low | 43.4 | Very low | 71 Ų | 71 | 102.3 Ų | 102.3 | 33% | 0.332 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -104.2 | -0.4 | -175.2 | -69.2 | -177.7 | -179.7 | 0 | 0 | 113.9 | K125 P141 | K125-E129 WeakPolarHBondContact CE-OE2 3.47Å; E129-P141 WeakPolarHBondContact O-CD 3.37Å |
| 130 | C | 39.2 | Very low | 44.2 | Very low | 57 Ų | 57 | 103.1 Ų | 103.1 | 39% | 0.385 | 55% | 0.546 | S | S | . | . | trans | -118.5 | 106.2 | 176.8 | -66.6 | 0 | 0 | 0 | 0 | 110.7 | L138 | C130-L138 HydrophobicContact CB-CD1 3.64Å; C130-L138 HydrophobicContact CB-CG 4.11Å | ||
| 131 | V | 44.9 | Very low | 44.8 | Very low | 81 Ų | 81 | 99.9 Ų | 99.9 | 49% | 0.491 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 114.2 | 165.9 | -175.6 | 0 | 0 | 0 | 0 | 106.7 | Y139 | V131-Y139 PolarHBondContact N-O 3.42Å; V131-Y139 PolarHBondContact O-N 3.37Å |
| 132 | I | 40.5 | Very low | 45 | Very low | 112 Ų | 112 | 108 Ų | 108 | 57% | 0.574 | 57% | 0.57 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.3 | 120.3 | 165.6 | -57.2 | 175.9 | 0 | 0 | 0 | 105.5 | L138 | I132-L138 HydrophobicContact CG1-CD1 4.36Å |
| 133 | D | 48.9 | Very low | 45.3 | Very low | 43 Ų | 43 | 109.8 Ų | 109.8 | 23% | 0.23 | 57% | 0.572 | C | S | . | * | trans | -72 | 171.7 | 173.2 | 70.5 | -7 | 0 | 0 | 0 | 111.1 | S135 G136 K137 Y139 | D133-S135 PolarHBondContact O-N 3.39Å; D133-S135 VanDerWaalsContact OD1-C 3.3Å; D133-S135 WeakPolarHBondContact OD1-CA 3.43Å; D133-S135 WeakPolarHBondContact OD1-CB 3.31Å; D133-S135 PolarHBondContact OD1-N 3.2Å; D133-S135 PolarHBondContact OD1-OG 3.06Å; D133-S135 WeakPolarHBondContact OD2-CB 3.36Å; D133-S135 PolarHBondContact OD2-OG 3.26Å; D133-G136 PolarHBondContact O-N 3.24Å; D133-G136 PolarHBondContact OD1-N 3.05Å; D133-K137 PolarHBondContact N-O 3.34Å; D133-K137 VanDerWaalsContact N-O 3.12Å; D133-K137 WeakPolarHBondContact OD1-CA 3.26Å; D133-K137 PolarHBondContact OD1-N 3.27Å; D133-Y139 HydrophobicContact CB-CD2 4.05Å; D133-Y139 HydrophobicContact CB-CE2 3.79Å; D133-Y139 VanDerWaalsContact OD2-CE2 3.3Å; D133-Y139 WeakPolarHBondContact OD2-CE2 3.38Å | ||
| 134 | E | 47.6 | Very low | 44.9 | Very low | 211 Ų | 211 | 111.9 Ų | 111.9 | 99% | 0.986 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | -13.1 | 173.9 | -62.7 | 179.4 | 173.6 | 0 | 0 | 113 | ||
| 135 | S | 59.6 | Low | 44.6 | Very low | 80 Ų | 80 | 112.6 Ų | 112.6 | 56% | 0.559 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -0.7 | 176.4 | 90.2 | 0 | 0 | 0 | 0 | 114.2 | D133 K137 | D133-S135 PolarHBondContact O-N 3.39Å; D133-S135 VanDerWaalsContact OD1-C 3.3Å; D133-S135 WeakPolarHBondContact OD1-CA 3.43Å; D133-S135 WeakPolarHBondContact OD1-CB 3.31Å; D133-S135 PolarHBondContact OD1-N 3.2Å; D133-S135 PolarHBondContact OD1-OG 3.06Å; D133-S135 WeakPolarHBondContact OD2-CB 3.36Å; D133-S135 PolarHBondContact OD2-OG 3.26Å; S135-K137 VanDerWaalsContact C-N 3.27Å; S135-K137 PolarHBondContact O-N 3.12Å |
| 136 | G | 44.7 | Very low | 44.4 | Very low | 60 Ų | 60 | 110.4 Ų | 110.4 | 62% | 0.619 | 59% | 0.593 | S | S | * | * | S | Bend | trans | 77 | 9.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | D133 | D133-G136 PolarHBondContact O-N 3.24Å; D133-G136 PolarHBondContact OD1-N 3.05Å |
| 137 | K | 50.3 | Low | 44.2 | Very low | 139 Ų | 139 | 114.5 Ų | 114.5 | 60% | 0.604 | 60% | 0.603 | S | S | * | * | trans | -91.1 | 132.5 | 177 | -75.5 | -174.5 | 177.5 | 177.4 | 0 | 111.3 | D133 S135 Y139 | D133-K137 PolarHBondContact N-O 3.34Å; D133-K137 VanDerWaalsContact N-O 3.12Å; D133-K137 WeakPolarHBondContact OD1-CA 3.26Å; D133-K137 PolarHBondContact OD1-N 3.27Å; S135-K137 VanDerWaalsContact C-N 3.27Å; S135-K137 PolarHBondContact O-N 3.12Å; K137-Y139 HydrophobicContact CB-CE2 4.47Å; K137-Y139 PolarHBondContact O-N 3Å | ||
| 138 | L | 46.4 | Very low | 43.9 | Very low | 97 Ų | 97 | 114.3 Ų | 114.3 | 51% | 0.508 | 60% | 0.595 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.9 | 114.7 | 176.9 | -164 | 105.1 | 0 | 0 | 0 | 110.3 | C130 I132 Q140 | C130-L138 HydrophobicContact CB-CD1 3.64Å; C130-L138 HydrophobicContact CB-CG 4.11Å; I132-L138 HydrophobicContact CG1-CD1 4.36Å; L138-Q140 HydrophobicContact CD2-CG 4.47Å |
| 139 | Y | 48.6 | Very low | 43.9 | Very low | 137 Ų | 137 | 117.1 Ų | 117.1 | 54% | 0.537 | 60% | 0.601 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.3 | 118.9 | 170 | -76.7 | -87.4 | 0 | 0 | 0 | 110.9 | V131 D133 K137 | V131-Y139 PolarHBondContact N-O 3.42Å; V131-Y139 PolarHBondContact O-N 3.37Å; D133-Y139 HydrophobicContact CB-CD2 4.05Å; D133-Y139 HydrophobicContact CB-CE2 3.79Å; D133-Y139 VanDerWaalsContact OD2-CE2 3.3Å; D133-Y139 WeakPolarHBondContact OD2-CE2 3.38Å; K137-Y139 HydrophobicContact CB-CE2 4.47Å; K137-Y139 PolarHBondContact O-N 3Å |
| 140 | Q | 51.7 | Low | 43.9 | Very low | 151 Ų | 151 | 118.5 Ų | 118.5 | 71% | 0.706 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 120.6 | 163.9 | -72.6 | 178.8 | -2.1 | 0 | 0 | 109 | L138 R142 | L138-Q140 HydrophobicContact CD2-CG 4.47Å; Q140-R142 PolarHBondContact O-N 2.93Å |
| 141 | P | 49.1 | Very low | 43.9 | Very low | 69 Ų | 69 | 120.8 Ų | 120.8 | 45% | 0.448 | 61% | 0.609 | S | S | . | * | P | Polyproline II helix | trans | -66.2 | 120.9 | 177.5 | 24.7 | -30.8 | 0 | 0 | 0 | 110.3 | E129 T143 | E129-P141 WeakPolarHBondContact O-CD 3.37Å; P141-T143 VanDerWaalsContact C-N 3.33Å; P141-T143 PolarHBondContact O-N 3.49Å |
| 142 | R | 48 | Very low | 43.8 | Very low | 249 Ų | 249 | 120.9 Ų | 120.9 | 94% | 0.94 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -79.9 | -1.9 | -175.1 | -74.5 | -175.1 | 175.6 | -176.9 | -1 | 115.1 | Q140 | Q140-R142 PolarHBondContact O-N 2.93Š|
| 143 | T | 43.2 | Very low | 44 | Very low | 130 Ų | 130 | 124.2 Ų | 124.2 | 80% | 0.798 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -134.7 | -1.3 | -164.3 | 52 | 0 | 0 | 0 | 0 | 116.3 | P141 | P141-T143 VanDerWaalsContact C-N 3.33Å; P141-T143 PolarHBondContact O-N 3.49Å |
| 144 | T | 35 | Very low | 44.1 | Very low | 106 Ų | 106 | 126.7 Ų | 126.7 | 65% | 0.65 | 63% | 0.634 | S | S | * | * | trans | -99.5 | 93.8 | 177.5 | 35.6 | 0 | 0 | 0 | 0 | 111.4 | S146 | T144-S146 PolarHBondContact O-N 3.02Å; T144-S146 VanDerWaalsContact O-N 3.08Å | ||
| 145 | T | 31.9 | Very low | 44.3 | Very low | 128 Ų | 128 | 123.7 Ų | 123.7 | 79% | 0.785 | 63% | 0.625 | S | S | * | * | trans | -72 | 96 | 162.2 | 48.1 | 0 | 0 | 0 | 0 | 108.6 | I147 | T145-I147 PolarHBondContact O-N 3.1Å; T145-I147 VanDerWaalsContact O-N 3.1Å | ||
| 146 | S | 35.9 | Very low | 44 | Very low | 69 Ų | 69 | 124.2 Ų | 124.2 | 48% | 0.483 | 63% | 0.627 | S | S | . | * | trans | -64.6 | 111.5 | 164.4 | 65.2 | 0 | 0 | 0 | 0 | 107.7 | T144 R148 | T144-S146 PolarHBondContact O-N 3.02Å; T144-S146 VanDerWaalsContact O-N 3.08Å; S146-R148 PolarHBondContact O-N 3.37Å | ||
| 147 | I | 35.3 | Very low | 44.5 | Very low | 156 Ų | 156 | 122.7 Ų | 122.7 | 80% | 0.8 | 61% | 0.606 | S | S | * | * | trans | -68.9 | 87.8 | 168.6 | -60.1 | 170 | 0 | 0 | 0 | 105.4 | T145 R149 | T145-I147 PolarHBondContact O-N 3.1Å; T145-I147 VanDerWaalsContact O-N 3.1Å; I147-R149 PolarHBondContact O-N 3.42Å | ||
| 148 | R | 35.4 | Very low | 45.1 | Very low | 102 Ų | 102 | 120 Ų | 120 | 39% | 0.385 | 60% | 0.601 | S | S | . | * | trans | -60.8 | 114.4 | 171.3 | -69.7 | -176 | 171.9 | -118.5 | -23.3 | 107.1 | S146 Y150 P152 | S146-R148 PolarHBondContact O-N 3.37Å; R148-Y150 VanDerWaalsContact CB-O 3.3Å; R148-Y150 WeakPolarHBondContact CB-O 3.29Å; R148-Y150 PolarHBondContact O-N 2.84Å; R148-P152 VanDerWaalsContact NH1-CB 3.28Å | ||
| 149 | R | 42.3 | Very low | 45.6 | Very low | 211 Ų | 211 | 116.8 Ų | 116.8 | 80% | 0.796 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -65.1 | -12.8 | 170.6 | -67.8 | -175.4 | 178.1 | -166.1 | -0.9 | 112.1 | I147 | I147-R149 PolarHBondContact O-N 3.42Š|
| 150 | Y | 44.1 | Very low | 46.4 | Very low | 101 Ų | 101 | 110.9 Ų | 110.9 | 40% | 0.396 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -137.5 | 141.3 | -176.8 | -58.1 | -81 | 0 | 0 | 0 | 111.1 | R148 P157 Y162 | R148-Y150 VanDerWaalsContact CB-O 3.3Å; R148-Y150 WeakPolarHBondContact CB-O 3.29Å; R148-Y150 PolarHBondContact O-N 2.84Å; Y150-P157 HydrophobicContact CD1-CG 4.26Å; Y150-P157 HydrophobicContact CD2-CG 3.89Å; Y150-P157 HydrophobicContact CE1-CB 4.24Å; Y150-P157 HydrophobicContact CE1-CG 3.97Å; Y150-P157 HydrophobicContact CE2-CG 3.6Å; Y150-P157 HydrophobicContact CG-CG 4.22Å; Y150-Y162 HydrophobicContact CE2-CE1 4.32Å; Y150-Y162 VanDerWaalsContact CE2-OH 3.28Å; Y150-Y162 WeakPolarHBondContact CE2-OH 3.43Å; Y150-Y162 VanDerWaalsContact OH-CE1 3.3Å; Y150-Y162 WeakPolarHBondContact OH-CE1 3.34Å |
| 151 | H | 38.4 | Very low | 46.9 | Very low | 105 Ų | 105 | 105.4 Ų | 105.4 | 49% | 0.486 | 55% | 0.548 | S | S | . | . | trans | -66 | 141 | 178.5 | -175.1 | -95.4 | 0 | 0 | 0 | 109.9 | K153 D154 | H151-K153 PolarHBondContact ND1-N 2.89Å; H151-K153 PolarHBondContact O-N 3.39Å; H151-D154 WeakPolarHBondContact CB-OD2 3.42Å; H151-D154 WeakPolarHBondContact O-CB 3.48Å; H151-D154 PolarHBondContact O-N 3.45Å | ||
| 152 | P | 43.5 | Very low | 47.4 | Very low | 82 Ų | 82 | 106.2 Ų | 106.2 | 53% | 0.532 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -23.1 | -175.3 | -20.8 | 28.2 | 0 | 0 | 0 | 115.4 | R148 | R148-P152 VanDerWaalsContact NH1-CB 3.28Š|
| 153 | K | 45.1 | Very low | 47.8 | Very low | 183 Ų | 183 | 95 Ų | 95 | 80% | 0.796 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -10.5 | 179.3 | -58.5 | -173.3 | -177.1 | 177.7 | 0 | 113 | H151 | H151-K153 PolarHBondContact ND1-N 2.89Å; H151-K153 PolarHBondContact O-N 3.39Å |
| 154 | D | 50.9 | Low | 48.9 | Very low | 94 Ų | 94 | 93.5 Ų | 93.5 | 50% | 0.503 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -81.2 | 140.9 | 178.4 | -60.8 | -11.8 | 0 | 0 | 0 | 108.1 | H151 | H151-D154 WeakPolarHBondContact CB-OD2 3.42Å; H151-D154 WeakPolarHBondContact O-CB 3.48Å; H151-D154 PolarHBondContact O-N 3.45Å |
| 155 | N | 51.1 | Low | 50.3 | Low | 149 Ų | 149 | 91.2 Ų | 91.2 | 80% | 0.797 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 133.9 | 172.1 | -69.7 | -36.4 | 0 | 0 | 0 | 108.5 | ||
| 156 | P | 53.3 | Low | 51.5 | Low | 91 Ų | 91 | 87.4 Ų | 87.4 | 59% | 0.591 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 138.3 | 178.5 | 24.3 | -33.1 | 0 | 0 | 0 | 108.6 | T158 | P156-T158 PolarHBondContact O-N 2.83Å; P156-T158 VanDerWaalsContact O-N 3.08Å |
| 157 | P | 55.7 | Low | 52.7 | Low | 27 Ų | 27 | 85.1 Ų | 85.1 | 18% | 0.175 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 118.5 | 177.6 | 24.3 | -36 | 0 | 0 | 0 | 110 | Y150 Y162 | Y150-P157 HydrophobicContact CD1-CG 4.26Å; Y150-P157 HydrophobicContact CD2-CG 3.89Å; Y150-P157 HydrophobicContact CE1-CB 4.24Å; Y150-P157 HydrophobicContact CE1-CG 3.97Å; Y150-P157 HydrophobicContact CE2-CG 3.6Å; Y150-P157 HydrophobicContact CG-CG 4.22Å; P157-Y162 HydrophobicContact CB-CD2 3.95Å; P157-Y162 HydrophobicContact CB-CE1 4.46Å; P157-Y162 HydrophobicContact CB-CE2 3.5Å; P157-Y162 VanDerWaalsContact CB-CE2 3.5Å; P157-Y162 HydrophobicContact CG-CD2 4.24Å; P157-Y162 HydrophobicContact CG-CE1 4.26Å; P157-Y162 HydrophobicContact CG-CE2 3.29Å; P157-Y162 WeakPolarHBondContact CG-OH 3.47Å; P157-Y162 WeakPolarHBondContact O-CE2 3.3Å |
| 158 | T | 62.7 | Low | 54.4 | Low | 83 Ų | 83 | 84 Ų | 84 | 51% | 0.509 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 153.2 | 173.1 | -32.8 | 0 | 0 | 0 | 0 | 109.8 | P156 L160 G161 Y162 | P156-T158 PolarHBondContact O-N 2.83Å; P156-T158 VanDerWaalsContact O-N 3.08Å; T158-L160 PolarHBondContact O-N 3.37Å; T158-L160 VanDerWaalsContact O-N 3.16Å; T158-G161 WeakPolarHBondContact O-CA 3.37Å; T158-G161 PolarHBondContact O-N 3.49Å; T158-Y162 PolarHBondContact O-N 3.32Å; T158-Y162 VanDerWaalsContact O-N 3.12Å |
| 159 | S | 56.9 | Low | 55.8 | Low | 30 Ų | 30 | 83.4 Ų | 83.4 | 21% | 0.21 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -47.3 | -42.3 | 170.7 | 54.1 | 0 | 0 | 0 | 0 | 112.7 | G161 Y162 L163 | S159-G161 VanDerWaalsContact C-N 3.32Å; S159-G161 PolarHBondContact O-N 2.95Å; S159-Y162 PolarHBondContact O-N 3.36Å; S159-L163 WeakPolarHBondContact O-CB 3.39Å; S159-L163 PolarHBondContact O-N 2.89Å |
| 160 | L | 64.1 | Low | 56.7 | Low | 13 Ų | 13 | 73.9 Ų | 73.9 | 7% | 0.068 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62 | -36.3 | 174.1 | -174.4 | 66.3 | 0 | 0 | 0 | 112.8 | T158 L163 K164 E208 L211 M212 E215 | T158-L160 PolarHBondContact O-N 3.37Å; T158-L160 VanDerWaalsContact O-N 3.16Å; L160-L163 PolarHBondContact O-N 3.48Å; L160-K164 HydrophobicContact CG-CD 4.2Å; L160-K164 WeakPolarHBondContact O-CB 3.19Å; L160-K164 VanDerWaalsContact O-CG 3.26Å; L160-K164 WeakPolarHBondContact O-CG 3.47Å; L160-K164 PolarHBondContact O-N 3.49Å; L160-E208 HydrophobicContact CD1-CG 4.02Å; L160-L211 HydrophobicContact CD1-CB 4.18Å; L160-M212 HydrophobicContact CD1-CG 4.18Å; L160-M212 HydrophobicContact CD1-SD 4.09Å; L160-M212 HydrophobicContact CD2-SD 3.5Å; L160-M212 VanDerWaalsContact CD2-SD 3.5Å; L160-M212 HydrophobicContact CG-SD 4.44Å; L160-E215 WeakPolarHBondContact CD2-OE2 3.29Å |
| 161 | G | 63.5 | Low | 57.8 | Low | 35 Ų | 35 | 73.7 Ų | 73.7 | 36% | 0.361 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.8 | -45.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T158 S159 L163 K164 A165 | T158-G161 WeakPolarHBondContact O-CA 3.37Å; T158-G161 PolarHBondContact O-N 3.49Å; S159-G161 VanDerWaalsContact C-N 3.32Å; S159-G161 PolarHBondContact O-N 2.95Å; G161-L163 VanDerWaalsContact C-N 3.34Å; G161-L163 PolarHBondContact O-N 3.3Å; G161-K164 PolarHBondContact O-N 2.86Å; G161-A165 PolarHBondContact O-N 2.91Å |
| 162 | Y | 59.6 | Low | 59.1 | Low | 87 Ų | 87 | 74.2 Ų | 74.2 | 34% | 0.341 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 173.8 | -78.1 | -72.2 | 0 | 0 | 0 | 112.4 | Y150 P157 T158 S159 A165 S166 | Y150-Y162 HydrophobicContact CE2-CE1 4.32Å; Y150-Y162 VanDerWaalsContact CE2-OH 3.28Å; Y150-Y162 WeakPolarHBondContact CE2-OH 3.43Å; Y150-Y162 VanDerWaalsContact OH-CE1 3.3Å; Y150-Y162 WeakPolarHBondContact OH-CE1 3.34Å; P157-Y162 HydrophobicContact CB-CD2 3.95Å; P157-Y162 HydrophobicContact CB-CE1 4.46Å; P157-Y162 HydrophobicContact CB-CE2 3.5Å; P157-Y162 VanDerWaalsContact CB-CE2 3.5Å; P157-Y162 HydrophobicContact CG-CD2 4.24Å; P157-Y162 HydrophobicContact CG-CE1 4.26Å; P157-Y162 HydrophobicContact CG-CE2 3.29Å; P157-Y162 WeakPolarHBondContact CG-OH 3.47Å; P157-Y162 WeakPolarHBondContact O-CE2 3.3Å; T158-Y162 PolarHBondContact O-N 3.32Å; T158-Y162 VanDerWaalsContact O-N 3.12Å; S159-Y162 PolarHBondContact O-N 3.36Å; Y162-A165 PolarHBondContact O-N 2.9Å; Y162-S166 WeakPolarHBondContact O-CB 3.47Å; Y162-S166 PolarHBondContact O-N 3.02Å; Y162-S166 PolarHBondContact O-OG 3.47Å |
| 163 | L | 56.6 | Low | 60 | Low | 12 Ų | 12 | 75.1 Ų | 75.1 | 6% | 0.063 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.2 | -47.3 | 178.2 | -169.6 | 77.3 | 0 | 0 | 0 | 111 | S159 L160 G161 A165 S166 V167 L204 E207 E208 L211 | S159-L163 WeakPolarHBondContact O-CB 3.39Å; S159-L163 PolarHBondContact O-N 2.89Å; L160-L163 PolarHBondContact O-N 3.48Å; G161-L163 VanDerWaalsContact C-N 3.34Å; G161-L163 PolarHBondContact O-N 3.3Å; L163-A165 VanDerWaalsContact C-N 3.32Å; L163-A165 PolarHBondContact O-N 2.88Å; L163-S166 WeakPolarHBondContact O-CB 3.49Å; L163-S166 PolarHBondContact O-N 2.99Å; L163-S166 VanDerWaalsContact O-N 3.1Å; L163-V167 WeakPolarHBondContact O-CG2 3.2Å; L163-V167 PolarHBondContact O-N 2.64Å; L163-L204 HydrophobicContact CD1-CB 4.41Å; L163-L204 HydrophobicContact CD1-CD2 3.44Å; L163-L204 VanDerWaalsContact CD1-CD2 3.44Å; L163-E207 HydrophobicContact CD1-CB 4.22Å; L163-E207 HydrophobicContact CD2-CB 4.15Å; L163-E208 HydrophobicContact CD2-CB 3.49Å; L163-E208 VanDerWaalsContact CD2-CB 3.49Å; L163-E208 HydrophobicContact CD2-CG 4.2Å; L163-L211 HydrophobicContact CB-CD1 4.5Å; L163-L211 HydrophobicContact CD2-CD1 4.05Å |
| 164 | K | 66.6 | Low | 60.8 | Low | 99 Ų | 99 | 69.2 Ų | 69.2 | 43% | 0.43 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.8 | -42.1 | 176.3 | -77.3 | 175.2 | 178 | 176.4 | 0 | 112 | L160 G161 S166 V167 K168 | L160-K164 HydrophobicContact CG-CD 4.2Å; L160-K164 WeakPolarHBondContact O-CB 3.19Å; L160-K164 VanDerWaalsContact O-CG 3.26Å; L160-K164 WeakPolarHBondContact O-CG 3.47Å; L160-K164 PolarHBondContact O-N 3.49Å; G161-K164 PolarHBondContact O-N 2.86Å; K164-S166 VanDerWaalsContact C-N 3.35Å; K164-V167 PolarHBondContact O-N 3.44Å; K164-K168 VanDerWaalsContact O-CB 3.32Å; K164-K168 WeakPolarHBondContact O-CB 3.39Å; K164-K168 PolarHBondContact O-N 3.49Å |
| 165 | A | 63.9 | Low | 61.4 | Low | 59 Ų | 59 | 69.1 Ų | 69.1 | 49% | 0.488 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G161 Y162 L163 K168 Q169 | G161-A165 PolarHBondContact O-N 2.91Å; Y162-A165 PolarHBondContact O-N 2.9Å; L163-A165 VanDerWaalsContact C-N 3.32Å; L163-A165 PolarHBondContact O-N 2.88Å; A165-K168 PolarHBondContact O-N 3.04Å; A165-Q169 PolarHBondContact O-N 3.02Å |
| 166 | S | 57.5 | Low | 61.5 | Low | 47 Ų | 47 | 65.8 Ų | 65.8 | 33% | 0.329 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 177.9 | -56.7 | 0 | 0 | 0 | 0 | 112.3 | Y162 L163 K164 Q169 L170 | Y162-S166 WeakPolarHBondContact O-CB 3.47Å; Y162-S166 PolarHBondContact O-N 3.02Å; Y162-S166 PolarHBondContact O-OG 3.47Å; L163-S166 WeakPolarHBondContact O-CB 3.49Å; L163-S166 PolarHBondContact O-N 2.99Å; L163-S166 VanDerWaalsContact O-N 3.1Å; K164-S166 VanDerWaalsContact C-N 3.35Å; S166-Q169 PolarHBondContact O-N 2.77Å; S166-L170 PolarHBondContact O-N 3.18Å |
| 167 | V | 61.3 | Low | 61.5 | Low | 22 Ų | 22 | 68.7 Ų | 68.7 | 13% | 0.133 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 175 | 171.1 | 0 | 0 | 0 | 0 | 110.4 | L163 K164 Q169 L170 L171 L201 L204 | L163-V167 WeakPolarHBondContact O-CG2 3.2Å; L163-V167 PolarHBondContact O-N 2.64Å; K164-V167 PolarHBondContact O-N 3.44Å; V167-Q169 PolarHBondContact O-N 3.08Å; V167-L170 PolarHBondContact O-N 3.43Å; V167-L171 WeakPolarHBondContact O-CB 3.49Å; V167-L171 PolarHBondContact O-N 3.14Å; V167-L201 HydrophobicContact CG1-CD1 4.21Å; V167-L204 HydrophobicContact CG2-CB 3.72Å; V167-L204 HydrophobicContact CG2-CD1 4.17Å |
| 168 | K | 69.3 | Low | 61.2 | Low | 133 Ų | 133 | 71.1 Ų | 71.1 | 58% | 0.578 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -58.3 | -48.4 | 176.7 | -177.5 | -179.3 | 174 | -173.1 | 0 | 111.5 | K164 A165 L170 L171 E172 | K164-K168 VanDerWaalsContact O-CB 3.32Å; K164-K168 WeakPolarHBondContact O-CB 3.39Å; K164-K168 PolarHBondContact O-N 3.49Å; A165-K168 PolarHBondContact O-N 3.04Å; K168-L170 VanDerWaalsContact C-N 3.35Å; K168-L170 PolarHBondContact O-N 3.16Å; K168-L171 PolarHBondContact O-N 2.8Å; K168-E172 WeakPolarHBondContact CE-OE1 3.37Å; K168-E172 WeakPolarHBondContact O-CG 3.44Å; K168-E172 PolarHBondContact O-N 3.35Å |
| 169 | Q | 64.6 | Low | 60.7 | Low | 88 Ų | 88 | 76.1 Ų | 76.1 | 41% | 0.411 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.7 | -39.9 | 178.7 | -170.6 | 179.9 | 14.7 | 0 | 0 | 112.4 | A165 S166 V167 E172 N173 | A165-Q169 PolarHBondContact O-N 3.02Å; S166-Q169 PolarHBondContact O-N 2.77Å; V167-Q169 PolarHBondContact O-N 3.08Å; Q169-E172 PolarHBondContact O-N 3.44Å; Q169-N173 VanDerWaalsContact O-CG 3.24Å; Q169-N173 PolarHBondContact O-N 2.79Å; Q169-N173 VanDerWaalsContact O-N 3.08Å; Q169-N173 PolarHBondContact O-ND2 3.44Å; Q169-N173 VanDerWaalsContact O-ND2 3.17Å |
| 170 | L | 61.7 | Low | 59.8 | Low | 12 Ų | 12 | 80.1 Ų | 80.1 | 6% | 0.063 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -67.9 | -36.4 | 175.5 | -79.1 | 166.4 | 0 | 0 | 0 | 112.6 | S166 V167 K168 N173 L174 M197 R200 L204 | S166-L170 PolarHBondContact O-N 3.18Å; V167-L170 PolarHBondContact O-N 3.43Å; K168-L170 VanDerWaalsContact C-N 3.35Å; K168-L170 PolarHBondContact O-N 3.16Å; L170-N173 PolarHBondContact O-N 3.07Å; L170-L174 WeakPolarHBondContact O-CG 3.37Å; L170-L174 PolarHBondContact O-N 3.4Å; L170-M197 HydrophobicContact CD2-SD 3.71Å; L170-R200 HydrophobicContact CD1-CG 4.02Å; L170-L204 HydrophobicContact CD1-CD1 3.12Å |
| 171 | L | 67.7 | Low | 58.7 | Low | 97 Ų | 97 | 86.4 Ų | 86.4 | 51% | 0.508 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.9 | -37.8 | 177 | -156.9 | 74.6 | 0 | 0 | 0 | 111.6 | V167 K168 N173 L174 N175 L201 | V167-L171 WeakPolarHBondContact O-CB 3.49Å; V167-L171 PolarHBondContact O-N 3.14Å; K168-L171 PolarHBondContact O-N 2.8Å; L171-N173 VanDerWaalsContact C-N 3.34Å; L171-L174 PolarHBondContact O-N 3.34Å; L171-N175 PolarHBondContact O-N 2.86Å; L171-L201 HydrophobicContact CD1-CD2 4.5Å |
| 172 | E | 66.3 | Low | 57.3 | Low | 115 Ų | 115 | 90.3 Ų | 90.3 | 54% | 0.537 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62 | -40.9 | 171.9 | -73.3 | 169.6 | -176.2 | 0 | 0 | 111.3 | K168 Q169 L174 N175 | K168-E172 WeakPolarHBondContact CE-OE1 3.37Å; K168-E172 WeakPolarHBondContact O-CG 3.44Å; K168-E172 PolarHBondContact O-N 3.35Å; Q169-E172 PolarHBondContact O-N 3.44Å; E172-L174 VanDerWaalsContact C-N 3.35Å; E172-L174 PolarHBondContact O-N 2.94Å; E172-N175 PolarHBondContact O-N 3.11Å |
| 173 | N | 60.8 | Low | 56.4 | Low | 101 Ų | 101 | 91.1 Ų | 91.1 | 54% | 0.54 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.7 | -29.9 | 176.3 | -68.2 | -30.9 | 0 | 0 | 0 | 113.7 | Q169 L170 L171 | Q169-N173 VanDerWaalsContact O-CG 3.24Å; Q169-N173 PolarHBondContact O-N 2.79Å; Q169-N173 VanDerWaalsContact O-N 3.08Å; Q169-N173 PolarHBondContact O-ND2 3.44Å; Q169-N173 VanDerWaalsContact O-ND2 3.17Å; L170-N173 PolarHBondContact O-N 3.07Å; L171-N173 VanDerWaalsContact C-N 3.34Å |
| 174 | L | 63.7 | Low | 55.6 | Low | 59 Ų | 59 | 99 Ų | 99 | 31% | 0.309 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -80.3 | -16.3 | 179.2 | -77.2 | 165.6 | 0 | 0 | 0 | 113.1 | L170 L171 E172 P176 M197 L201 | L170-L174 WeakPolarHBondContact O-CG 3.37Å; L170-L174 PolarHBondContact O-N 3.4Å; L171-L174 PolarHBondContact O-N 3.34Å; E172-L174 VanDerWaalsContact C-N 3.35Å; E172-L174 PolarHBondContact O-N 2.94Å; L174-P176 VanDerWaalsContact C-CD 3.45Å; L174-P176 VanDerWaalsContact O-CD 3.28Å; L174-P176 WeakPolarHBondContact O-CD 3.44Å; L174-M197 HydrophobicContact CD2-CB 3.95Å; L174-L201 HydrophobicContact CD1-CD2 3.94Å |
| 175 | N | 62.2 | Low | 54.5 | Low | 93 Ų | 93 | 101.5 Ų | 101.5 | 50% | 0.497 | 55% | 0.549 | S | S | . | . | trans | -121.5 | 73.9 | -175.2 | -143.6 | -2.4 | 0 | 0 | 0 | 111 | L171 E172 N177 | L171-N175 PolarHBondContact O-N 2.86Å; E172-N175 PolarHBondContact O-N 3.11Å; N175-N177 PolarHBondContact O-N 2.94Å | ||
| 176 | P | 53.6 | Low | 53.6 | Low | 79 Ų | 79 | 102.3 Ų | 102.3 | 51% | 0.513 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.9 | -5.4 | -175.9 | 25.6 | -33.7 | 0 | 0 | 0 | 114.3 | L174 | L174-P176 VanDerWaalsContact C-CD 3.45Å; L174-P176 VanDerWaalsContact O-CD 3.28Å; L174-P176 WeakPolarHBondContact O-CD 3.44Å |
| 177 | N | 54.3 | Low | 53.2 | Low | 152 Ų | 152 | 105.4 Ų | 105.4 | 81% | 0.813 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | 1.2 | -173.1 | -72.5 | -14.6 | 0 | 0 | 0 | 114.9 | N175 | N175-N177 PolarHBondContact O-N 2.94Š|
| 178 | S | 49.5 | Very low | 52.5 | Low | 77 Ų | 77 | 114.2 Ų | 114.2 | 54% | 0.538 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -122.3 | 104.8 | 177.9 | 65.6 | 0 | 0 | 0 | 0 | 112.2 | ||
| 179 | K | 50.8 | Low | 52.1 | Low | 188 Ų | 188 | 111.8 Ų | 111.8 | 82% | 0.817 | 59% | 0.593 | S | S | * | * | S | Bend | trans | 83.4 | 94.7 | 160.3 | -53.8 | 178.2 | -178.7 | 179.6 | 0 | 116.6 | L181 | K179-L181 PolarHBondContact O-N 2.9Š|
| 180 | S | 39.3 | Very low | 52.4 | Low | 115 Ų | 115 | 110.6 Ų | 110.6 | 80% | 0.804 | 59% | 0.594 | S | S | * | * | trans | 49.2 | 67 | 142 | 68.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 181 | L | 39.3 | Very low | 52.9 | Low | 144 Ų | 144 | 114.4 Ų | 114.4 | 75% | 0.754 | 62% | 0.62 | S | S | * | * | trans | -126.4 | 101.8 | 141 | -102 | 98.4 | 0 | 0 | 0 | 107.7 | K179 N183 | K179-L181 PolarHBondContact O-N 2.9Å; L181-N183 PolarHBondContact O-N 3.3Å | ||
| 182 | S | 35.5 | Very low | 53.1 | Low | 117 Ų | 117 | 114.4 Ų | 114.4 | 82% | 0.818 | 62% | 0.623 | S | S | * | * | trans | -54.6 | 88.8 | 153.9 | 51.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 183 | N | 39.1 | Very low | 53.3 | Low | 105 Ų | 105 | 113.1 Ų | 113.1 | 56% | 0.561 | 62% | 0.617 | S | S | * | * | trans | -160.8 | 122.6 | 161.9 | -89.2 | -28.8 | 0 | 0 | 0 | 106.1 | L181 H185 | L181-N183 PolarHBondContact O-N 3.3Å; N183-H185 PolarHBondContact O-N 3.22Å | ||
| 184 | H | 39.9 | Very low | 53.8 | Low | 177 Ų | 177 | 112.7 Ų | 112.7 | 82% | 0.819 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -60 | 27.2 | -178.1 | -77.1 | -92 | 0 | 0 | 0 | 115.3 | ||
| 185 | H | 44.8 | Very low | 54.3 | Low | 152 Ų | 152 | 114.7 Ų | 114.7 | 70% | 0.704 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -3.9 | -176.2 | -87.5 | -57 | 0 | 0 | 0 | 114.9 | N183 L187 | N183-H185 PolarHBondContact O-N 3.22Å; H185-L187 VanDerWaalsContact C-N 3.31Å; H185-L187 PolarHBondContact O-N 3.48Å |
| 186 | S | 43.9 | Very low | 54.8 | Low | 75 Ų | 75 | 115.3 Ų | 115.3 | 52% | 0.524 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.4 | 3.9 | -177.9 | 68.1 | 0 | 0 | 0 | 0 | 114.9 | ||
| 187 | L | 48.8 | Very low | 55.5 | Low | 113 Ų | 113 | 112.7 Ų | 112.7 | 59% | 0.592 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -104 | -9.5 | -161.9 | -82.6 | 159.6 | 0 | 0 | 0 | 117.6 | H185 | H185-L187 VanDerWaalsContact C-N 3.31Å; H185-L187 PolarHBondContact O-N 3.48Å |
| 188 | F | 48.3 | Very low | 56.6 | Low | 206 Ų | 206 | 109 Ų | 109 | 90% | 0.904 | 59% | 0.585 | S | S | * | * | trans | -149.4 | 65.4 | 173.3 | -69.7 | -77.1 | 0 | 0 | 0 | 112.4 | S190 | F188-S190 PolarHBondContact O-N 2.75Š| ||
| 189 | I | 60.5 | Low | 57.9 | Low | 83 Ų | 83 | 107.8 Ų | 107.8 | 43% | 0.426 | 58% | 0.58 | S | S | . | * | trans | -68.6 | 113.6 | 161.9 | -68.7 | 173.2 | 0 | 0 | 0 | 106.9 | H193 Q194 | I189-H193 HydrophobicContact CG2-CB 4.01Å; I189-Q194 HydrophobicContact CG2-CB 3.85Å | ||
| 190 | S | 70.2 | Confident | 59 | Low | 62 Ų | 62 | 104.4 Ų | 104.4 | 43% | 0.434 | 56% | 0.562 | S | S | . | * | trans | -53.4 | 138.2 | 172.6 | 167.6 | 0 | 0 | 0 | 0 | 109.7 | F188 V192 H193 Q194 | F188-S190 PolarHBondContact O-N 2.75Å; S190-V192 PolarHBondContact O-N 3.01Å; S190-V192 PolarHBondContact OG-N 3.04Å; S190-H193 WeakPolarHBondContact O-CA 3.33Å; S190-H193 WeakPolarHBondContact O-CB 3.26Å; S190-H193 PolarHBondContact O-N 2.99Å; S190-Q194 PolarHBondContact O-N 2.81Å | ||
| 191 | P | 72.6 | Confident | 60.7 | Low | 93 Ų | 93 | 99.9 Ų | 99.9 | 60% | 0.604 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -50.9 | -33.5 | 174.2 | -28.2 | 34.9 | 0 | 0 | 0 | 112.8 | Q194 N195 | P191-Q194 PolarHBondContact O-N 2.75Å; P191-N195 WeakPolarHBondContact O-CB 3.45Å; P191-N195 PolarHBondContact O-N 3.12Å; P191-N195 PolarHBondContact O-ND2 2.98Å |
| 192 | V | 71.2 | Confident | 62.7 | Low | 96 Ų | 96 | 100 Ų | 100 | 58% | 0.582 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.7 | -42.9 | 173.9 | -179.2 | 0 | 0 | 0 | 0 | 111.4 | S190 N195 L196 | S190-V192 PolarHBondContact O-N 3.01Å; S190-V192 PolarHBondContact OG-N 3.04Å; V192-N195 PolarHBondContact O-N 3.01Å; V192-L196 WeakPolarHBondContact O-CB 3.46Å; V192-L196 PolarHBondContact O-N 3.12Å |
| 193 | H | 70.8 | Confident | 64.7 | Low | 88 Ų | 88 | 100.8 Ų | 100.8 | 41% | 0.407 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.6 | -40.5 | 178 | -172 | 80.1 | 0 | 0 | 0 | 111.9 | I189 S190 L196 M197 | I189-H193 HydrophobicContact CG2-CB 4.01Å; S190-H193 WeakPolarHBondContact O-CA 3.33Å; S190-H193 WeakPolarHBondContact O-CB 3.26Å; S190-H193 PolarHBondContact O-N 2.99Å; H193-L196 PolarHBondContact O-N 3.2Å; H193-M197 WeakPolarHBondContact O-CG 3.22Å; H193-M197 PolarHBondContact O-N 3.01Å |
| 194 | Q | 70.6 | Confident | 66.4 | Low | 93 Ų | 93 | 96.2 Ų | 96.2 | 44% | 0.435 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60 | -50.1 | 173.9 | -176.9 | 173.8 | -9.7 | 0 | 0 | 110.9 | I189 S190 P191 L196 M197 E198 | I189-Q194 HydrophobicContact CG2-CB 3.85Å; S190-Q194 PolarHBondContact O-N 2.81Å; P191-Q194 PolarHBondContact O-N 2.75Å; Q194-L196 VanDerWaalsContact C-N 3.28Å; Q194-L196 PolarHBondContact O-N 3.3Å; Q194-M197 PolarHBondContact O-N 3.11Å; Q194-M197 VanDerWaalsContact O-N 3.14Å; Q194-E198 PolarHBondContact NE2-OE1 2.86Å; Q194-E198 VanDerWaalsContact NE2-OE1 3.13Å; Q194-E198 WeakPolarHBondContact O-CG 3.39Å; Q194-E198 PolarHBondContact O-N 3.42Å |
| 195 | N | 74.2 | Confident | 68.2 | Low | 101 Ų | 101 | 92.7 Ų | 92.7 | 54% | 0.54 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -58.2 | -40.1 | 176.7 | -72.6 | -20.3 | 0 | 0 | 0 | 112.1 | P191 V192 E198 A199 | P191-N195 WeakPolarHBondContact O-CB 3.45Å; P191-N195 PolarHBondContact O-N 3.12Å; P191-N195 PolarHBondContact O-ND2 2.98Å; V192-N195 PolarHBondContact O-N 3.01Å; N195-E198 PolarHBondContact O-N 3.11Å; N195-A199 VanDerWaalsContact O-CB 3.29Å; N195-A199 WeakPolarHBondContact O-CB 3.44Å; N195-A199 PolarHBondContact O-N 3.05Å |
| 196 | L | 74.7 | Confident | 69.9 | Low | 105 Ų | 105 | 90.5 Ų | 90.5 | 55% | 0.55 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.6 | -43 | 176.2 | -175.4 | 68.9 | 0 | 0 | 0 | 112.1 | V192 H193 Q194 A199 R200 | V192-L196 WeakPolarHBondContact O-CB 3.46Å; V192-L196 PolarHBondContact O-N 3.12Å; H193-L196 PolarHBondContact O-N 3.2Å; Q194-L196 VanDerWaalsContact C-N 3.28Å; Q194-L196 PolarHBondContact O-N 3.3Å; L196-A199 PolarHBondContact O-N 3.35Å; L196-R200 VanDerWaalsContact O-CB 3.31Å; L196-R200 WeakPolarHBondContact O-CB 3.41Å; L196-R200 PolarHBondContact O-N 3.41Å |
| 197 | M | 67.7 | Low | 71.4 | Confident | 25 Ų | 25 | 88.8 Ų | 88.8 | 12% | 0.123 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -66.6 | -41.1 | 177.4 | -69.8 | -56.7 | 98.6 | 0 | 0 | 111.7 | L170 L174 H193 Q194 R200 L201 | L170-M197 HydrophobicContact CD2-SD 3.71Å; L174-M197 HydrophobicContact CD2-CB 3.95Å; H193-M197 WeakPolarHBondContact O-CG 3.22Å; H193-M197 PolarHBondContact O-N 3.01Å; Q194-M197 PolarHBondContact O-N 3.11Å; Q194-M197 VanDerWaalsContact O-N 3.14Å; M197-R200 PolarHBondContact O-N 3.43Å; M197-L201 WeakPolarHBondContact O-CB 3.48Å; M197-L201 PolarHBondContact O-N 3.17Å |
| 198 | E | 76.3 | Confident | 72.8 | Confident | 73 Ų | 73 | 86 Ų | 86 | 34% | 0.341 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 174.6 | -72.1 | -179.1 | -164.2 | 0 | 0 | 112.1 | Q194 N195 R200 L201 K202 | Q194-E198 PolarHBondContact NE2-OE1 2.86Å; Q194-E198 VanDerWaalsContact NE2-OE1 3.13Å; Q194-E198 WeakPolarHBondContact O-CG 3.39Å; Q194-E198 PolarHBondContact O-N 3.42Å; N195-E198 PolarHBondContact O-N 3.11Å; E198-R200 VanDerWaalsContact C-N 3.34Å; E198-L201 PolarHBondContact O-N 3.14Å; E198-K202 WeakPolarHBondContact O-CG 3.49Å; E198-K202 PolarHBondContact O-N 3.15Å |
| 199 | A | 76.6 | Confident | 74.4 | Confident | 53 Ų | 53 | 83.4 Ų | 83.4 | 44% | 0.438 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N195 L196 K202 R203 | N195-A199 VanDerWaalsContact O-CB 3.29Å; N195-A199 WeakPolarHBondContact O-CB 3.44Å; N195-A199 PolarHBondContact O-N 3.05Å; L196-A199 PolarHBondContact O-N 3.35Å; A199-K202 PolarHBondContact O-N 2.7Å; A199-R203 PolarHBondContact O-N 2.73Å |
| 200 | R | 73.9 | Confident | 75.4 | Confident | 116 Ų | 116 | 85.1 Ų | 85.1 | 44% | 0.438 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 175 | -171.6 | 174.7 | -176.7 | 171.9 | 1.2 | 111.5 | L170 L196 M197 E198 R203 L204 | L170-R200 HydrophobicContact CD1-CG 4.02Å; L196-R200 VanDerWaalsContact O-CB 3.31Å; L196-R200 WeakPolarHBondContact O-CB 3.41Å; L196-R200 PolarHBondContact O-N 3.41Å; M197-R200 PolarHBondContact O-N 3.43Å; E198-R200 VanDerWaalsContact C-N 3.34Å; R200-R203 PolarHBondContact O-N 3.26Å; R200-L204 HydrophobicContact CG-CD1 4.19Å; R200-L204 VanDerWaalsContact O-CG 3.29Å; R200-L204 WeakPolarHBondContact O-CG 3.39Å; R200-L204 PolarHBondContact O-N 3.07Å |
| 201 | L | 76.8 | Confident | 75.7 | Confident | 21 Ų | 21 | 84.7 Ų | 84.7 | 11% | 0.11 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 175.7 | -178.1 | 64.6 | 0 | 0 | 0 | 111.6 | V167 L171 L174 M197 E198 R203 L204 K205 | V167-L201 HydrophobicContact CG1-CD1 4.21Å; L171-L201 HydrophobicContact CD1-CD2 4.5Å; L174-L201 HydrophobicContact CD1-CD2 3.94Å; M197-L201 WeakPolarHBondContact O-CB 3.48Å; M197-L201 PolarHBondContact O-N 3.17Å; E198-L201 PolarHBondContact O-N 3.14Å; L201-R203 VanDerWaalsContact C-N 3.35Å; L201-R203 PolarHBondContact O-N 2.88Å; L201-L204 PolarHBondContact O-N 3.12Å; L201-K205 HydrophobicContact CG-CD 4.38Å; L201-K205 WeakPolarHBondContact O-CB 3.48Å; L201-K205 WeakPolarHBondContact O-CG 3.42Å; L201-K205 PolarHBondContact O-N 3.41Å |
| 202 | K | 79.6 | Confident | 76 | Confident | 147 Ų | 147 | 84.4 Ų | 84.4 | 64% | 0.639 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -59.5 | -45 | 175.3 | -74.3 | 174 | -175.4 | 172.8 | 0 | 111.4 | E198 A199 K205 L206 | E198-K202 WeakPolarHBondContact O-CG 3.49Å; E198-K202 PolarHBondContact O-N 3.15Å; A199-K202 PolarHBondContact O-N 2.7Å; K202-K205 PolarHBondContact O-N 3.41Å; K202-L206 PolarHBondContact O-N 3.33Å; K202-L206 VanDerWaalsContact O-N 3.11Å |
| 203 | R | 78.9 | Confident | 76.7 | Confident | 132 Ų | 132 | 85.8 Ų | 85.8 | 50% | 0.498 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.9 | -48.8 | 175.7 | 178.4 | -179.9 | 163.1 | -179.2 | -3.2 | 111.9 | A199 R200 L201 K205 L206 E207 | A199-R203 PolarHBondContact O-N 2.73Å; R200-R203 PolarHBondContact O-N 3.26Å; L201-R203 VanDerWaalsContact C-N 3.35Å; L201-R203 PolarHBondContact O-N 2.88Å; R203-K205 VanDerWaalsContact C-N 3.32Å; R203-K205 PolarHBondContact O-N 2.89Å; R203-L206 WeakPolarHBondContact O-CB 3.2Å; R203-L206 PolarHBondContact O-N 2.94Å; R203-L206 VanDerWaalsContact O-N 3.07Å; R203-E207 IonicContact CZ-OE1 3.62Å; R203-E207 IonicContact NE-OE1 3.5Å; R203-E207 PolarHBondContact NE-OE1 3.03Å; R203-E207 IonicContact NH2-OE1 3.42Å; R203-E207 PolarHBondContact NH2-OE1 3.18Å; R203-E207 VanDerWaalsContact NH2-OE1 3.14Å; R203-E207 PolarHBondContact O-N 2.85Å |
| 204 | L | 73.7 | Confident | 77 | Confident | 9 Ų | 9 | 84.2 Ų | 84.2 | 5% | 0.047 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -63.6 | -37.4 | -179.9 | -68.8 | 169.7 | 0 | 0 | 0 | 112.4 | L163 V167 L170 R200 L201 L206 E207 E208 | L163-L204 HydrophobicContact CD1-CB 4.41Å; L163-L204 HydrophobicContact CD1-CD2 3.44Å; L163-L204 VanDerWaalsContact CD1-CD2 3.44Å; V167-L204 HydrophobicContact CG2-CB 3.72Å; V167-L204 HydrophobicContact CG2-CD1 4.17Å; L170-L204 HydrophobicContact CD1-CD1 3.12Å; R200-L204 HydrophobicContact CG-CD1 4.19Å; R200-L204 VanDerWaalsContact O-CG 3.29Å; R200-L204 WeakPolarHBondContact O-CG 3.39Å; R200-L204 PolarHBondContact O-N 3.07Å; L201-L204 PolarHBondContact O-N 3.12Å; L204-L206 VanDerWaalsContact C-N 3.29Å; L204-L206 PolarHBondContact O-N 3.41Å; L204-E207 PolarHBondContact O-N 3.25Å; L204-E208 WeakPolarHBondContact O-CB 3.29Å; L204-E208 PolarHBondContact O-N 3Å |
| 205 | K | 78.2 | Confident | 77.6 | Confident | 103 Ų | 103 | 83.6 Ų | 83.6 | 45% | 0.448 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.7 | -34.3 | 173.2 | -75.4 | 178.9 | 177.4 | -178.9 | 0 | 112.5 | L201 K202 R203 K209 | L201-K205 HydrophobicContact CG-CD 4.38Å; L201-K205 WeakPolarHBondContact O-CB 3.48Å; L201-K205 WeakPolarHBondContact O-CG 3.42Å; L201-K205 PolarHBondContact O-N 3.41Å; K202-K205 PolarHBondContact O-N 3.41Å; R203-K205 VanDerWaalsContact C-N 3.32Å; R203-K205 PolarHBondContact O-N 2.89Å; K205-K209 WeakPolarHBondContact O-CG 3.46Å; K205-K209 PolarHBondContact O-N 3.5Å |
| 206 | L | 81.4 | Confident | 78.3 | Confident | 106 Ų | 106 | 85.1 Ų | 85.1 | 56% | 0.555 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -69.3 | -47.1 | 174.4 | -176 | 69.1 | 0 | 0 | 0 | 110.8 | K202 R203 L204 E208 K209 M210 | K202-L206 PolarHBondContact O-N 3.33Å; K202-L206 VanDerWaalsContact O-N 3.11Å; R203-L206 WeakPolarHBondContact O-CB 3.2Å; R203-L206 PolarHBondContact O-N 2.94Å; R203-L206 VanDerWaalsContact O-N 3.07Å; L204-L206 VanDerWaalsContact C-N 3.29Å; L204-L206 PolarHBondContact O-N 3.41Å; L206-E208 VanDerWaalsContact C-N 3.25Å; L206-E208 PolarHBondContact O-N 2.98Å; L206-K209 PolarHBondContact O-N 3.28Å; L206-M210 WeakPolarHBondContact O-CG 3.34Å; L206-M210 PolarHBondContact O-N 3.12Å |
| 207 | E | 75 | Confident | 78.8 | Confident | 40 Ų | 40 | 85.1 Ų | 85.1 | 19% | 0.187 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -57.9 | -39.3 | 175.4 | -70.8 | 176.6 | -174.9 | 0 | 0 | 111.2 | M114 L163 R203 L204 M210 L211 | M114-E207 WeakPolarHBondContact CE-OE2 3.41Å; L163-E207 HydrophobicContact CD1-CB 4.22Å; L163-E207 HydrophobicContact CD2-CB 4.15Å; R203-E207 IonicContact CZ-OE1 3.62Å; R203-E207 IonicContact NE-OE1 3.5Å; R203-E207 PolarHBondContact NE-OE1 3.03Å; R203-E207 IonicContact NH2-OE1 3.42Å; R203-E207 PolarHBondContact NH2-OE1 3.18Å; R203-E207 VanDerWaalsContact NH2-OE1 3.14Å; R203-E207 PolarHBondContact O-N 2.85Å; L204-E207 PolarHBondContact O-N 3.25Å; E207-M210 PolarHBondContact O-N 3Å; E207-L211 WeakPolarHBondContact O-CG 3.5Å; E207-L211 PolarHBondContact O-N 2.65Å |
| 208 | E | 78.6 | Confident | 79.5 | Confident | 54 Ų | 54 | 87 Ų | 87 | 25% | 0.252 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.6 | -47 | 176.6 | -173.5 | 176.4 | -158.4 | 0 | 0 | 111.2 | L160 L163 L204 L206 M210 L211 M212 | L160-E208 HydrophobicContact CD1-CG 4.02Å; L163-E208 HydrophobicContact CD2-CB 3.49Å; L163-E208 VanDerWaalsContact CD2-CB 3.49Å; L163-E208 HydrophobicContact CD2-CG 4.2Å; L204-E208 WeakPolarHBondContact O-CB 3.29Å; L204-E208 PolarHBondContact O-N 3Å; L206-E208 VanDerWaalsContact C-N 3.25Å; L206-E208 PolarHBondContact O-N 2.98Å; E208-M210 VanDerWaalsContact C-N 3.31Å; E208-M210 PolarHBondContact O-N 3.22Å; E208-L211 PolarHBondContact O-N 3.12Å; E208-M212 HydrophobicContact CG-CG 4.38Å; E208-M212 WeakPolarHBondContact O-CB 3.04Å; E208-M212 WeakPolarHBondContact O-CG 3.43Å; E208-M212 PolarHBondContact O-N 3.46Å |
| 209 | K | 81 | Confident | 80 | Confident | 152 Ų | 152 | 88.1 Ų | 88.1 | 66% | 0.661 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -60.6 | -41.4 | 177.2 | -72.4 | 175.5 | -179.1 | -174.9 | 0 | 111.8 | K205 L206 M212 Q213 | K205-K209 WeakPolarHBondContact O-CG 3.46Å; K205-K209 PolarHBondContact O-N 3.5Å; L206-K209 PolarHBondContact O-N 3.28Å; K209-M212 PolarHBondContact O-N 3.43Å; K209-Q213 WeakPolarHBondContact O-CB 3.33Å; K209-Q213 PolarHBondContact O-N 2.78Å |
| 210 | M | 80.5 | Confident | 80.7 | Confident | 119 Ų | 119 | 90.2 Ų | 90.2 | 59% | 0.586 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -65 | -45.1 | 177.9 | -69.4 | -178.7 | 69.5 | 0 | 0 | 111.8 | L206 E207 E208 Q213 A214 | L206-M210 WeakPolarHBondContact O-CG 3.34Å; L206-M210 PolarHBondContact O-N 3.12Å; E207-M210 PolarHBondContact O-N 3Å; E208-M210 VanDerWaalsContact C-N 3.31Å; E208-M210 PolarHBondContact O-N 3.22Å; M210-Q213 PolarHBondContact O-N 2.94Å; M210-A214 WeakPolarHBondContact O-CB 3.32Å; M210-A214 PolarHBondContact O-N 3.19Å |
| 211 | L | 77.3 | Confident | 81.3 | Confident | 52 Ų | 52 | 87.2 Ų | 87.2 | 27% | 0.272 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 176.8 | -73.7 | 177.5 | 0 | 0 | 0 | 112.1 | L160 L163 E207 E208 Q213 A214 E215 | L160-L211 HydrophobicContact CD1-CB 4.18Å; L163-L211 HydrophobicContact CB-CD1 4.5Å; L163-L211 HydrophobicContact CD2-CD1 4.05Å; E207-L211 WeakPolarHBondContact O-CG 3.5Å; E207-L211 PolarHBondContact O-N 2.65Å; E208-L211 PolarHBondContact O-N 3.12Å; L211-Q213 VanDerWaalsContact C-N 3.29Å; L211-Q213 PolarHBondContact O-N 3.29Å; L211-A214 PolarHBondContact O-N 3.44Å; L211-E215 WeakPolarHBondContact O-CB 3.4Å; L211-E215 PolarHBondContact O-N 2.89Å |
| 212 | M | 80.1 | Confident | 81.5 | Confident | 88 Ų | 88 | 94.5 Ų | 94.5 | 43% | 0.433 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.9 | -39.1 | 174.9 | -73.2 | -67 | -55.7 | 0 | 0 | 111.8 | L160 E208 K209 K216 | L160-M212 HydrophobicContact CD1-CG 4.18Å; L160-M212 HydrophobicContact CD1-SD 4.09Å; L160-M212 HydrophobicContact CD2-SD 3.5Å; L160-M212 VanDerWaalsContact CD2-SD 3.5Å; L160-M212 HydrophobicContact CG-SD 4.44Å; E208-M212 HydrophobicContact CG-CG 4.38Å; E208-M212 WeakPolarHBondContact O-CB 3.04Å; E208-M212 WeakPolarHBondContact O-CG 3.43Å; E208-M212 PolarHBondContact O-N 3.46Å; K209-M212 PolarHBondContact O-N 3.43Å; M212-K216 WeakPolarHBondContact O-CB 3.29Å; M212-K216 PolarHBondContact O-N 2.85Å |
| 213 | Q | 83.8 | Confident | 81.8 | Confident | 125 Ų | 125 | 94.2 Ų | 94.2 | 58% | 0.584 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -68.6 | -41.9 | 176 | -175.7 | 175.5 | -1.4 | 0 | 0 | 111.7 | K209 M210 L211 K216 L217 | K209-Q213 WeakPolarHBondContact O-CB 3.33Å; K209-Q213 PolarHBondContact O-N 2.78Å; M210-Q213 PolarHBondContact O-N 2.94Å; L211-Q213 VanDerWaalsContact C-N 3.29Å; L211-Q213 PolarHBondContact O-N 3.29Å; Q213-K216 WeakPolarHBondContact O-CB 3.47Å; Q213-K216 PolarHBondContact O-N 3.28Å; Q213-L217 HydrophobicContact CG-CD1 4.39Å; Q213-L217 WeakPolarHBondContact O-CG 3.35Å; Q213-L217 PolarHBondContact O-N 2.93Å |
| 214 | A | 79.2 | Confident | 82.3 | Confident | 54 Ų | 54 | 91.5 Ų | 91.5 | 45% | 0.446 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | M210 L211 K216 L217 D218 | M210-A214 WeakPolarHBondContact O-CB 3.32Å; M210-A214 PolarHBondContact O-N 3.19Å; L211-A214 PolarHBondContact O-N 3.44Å; A214-K216 VanDerWaalsContact C-N 3.31Å; A214-K216 PolarHBondContact O-N 3.42Å; A214-L217 PolarHBondContact O-N 2.9Å; A214-D218 WeakPolarHBondContact O-CB 3.49Å; A214-D218 PolarHBondContact O-N 2.8Å |
| 215 | E | 81.7 | Confident | 83 | Confident | 81 Ų | 81 | 96.8 Ų | 96.8 | 38% | 0.379 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 175.1 | -175.2 | 175.8 | -155.4 | 0 | 0 | 111.3 | L160 L211 D218 M219 | L160-E215 WeakPolarHBondContact CD2-OE2 3.29Å; L211-E215 WeakPolarHBondContact O-CB 3.4Å; L211-E215 PolarHBondContact O-N 2.89Å; E215-D218 PolarHBondContact O-N 2.97Å; E215-M219 HydrophobicContact CG-CE 4.48Å; E215-M219 WeakPolarHBondContact O-CB 3.44Å; E215-M219 WeakPolarHBondContact O-CG 3.33Å; E215-M219 PolarHBondContact O-N 3.32Å |
| 216 | K | 88.5 | Confident | 83.6 | Confident | 133 Ų | 133 | 92.9 Ų | 92.9 | 58% | 0.578 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -61.2 | -45.9 | 173.8 | -178.3 | -179.4 | 177.8 | -178.8 | 0 | 112.1 | M212 Q213 A214 M219 L220 | M212-K216 WeakPolarHBondContact O-CB 3.29Å; M212-K216 PolarHBondContact O-N 2.85Å; Q213-K216 WeakPolarHBondContact O-CB 3.47Å; Q213-K216 PolarHBondContact O-N 3.28Å; A214-K216 VanDerWaalsContact C-N 3.31Å; A214-K216 PolarHBondContact O-N 3.42Å; K216-M219 PolarHBondContact O-N 3.16Å; K216-L220 HydrophobicContact CG-CD1 4.29Å; K216-L220 WeakPolarHBondContact O-CB 3.29Å; K216-L220 VanDerWaalsContact O-CG 3.29Å; K216-L220 WeakPolarHBondContact O-CG 3.49Å; K216-L220 PolarHBondContact O-N 2.96Å |
| 217 | L | 86.5 | Confident | 84 | Confident | 104 Ų | 104 | 91 Ų | 91 | 55% | 0.545 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.6 | -41 | 178.6 | -72.4 | 173 | 0 | 0 | 0 | 111.6 | Q213 A214 L220 E221 | Q213-L217 HydrophobicContact CG-CD1 4.39Å; Q213-L217 WeakPolarHBondContact O-CG 3.35Å; Q213-L217 PolarHBondContact O-N 2.93Å; A214-L217 PolarHBondContact O-N 2.9Å; L217-L220 PolarHBondContact O-N 3.34Å; L217-E221 WeakPolarHBondContact O-CB 3.47Å; L217-E221 PolarHBondContact O-N 2.94Å |
| 218 | D | 82.9 | Confident | 84.7 | Confident | 66 Ų | 66 | 94.8 Ų | 94.8 | 35% | 0.353 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 175.6 | -176.3 | 52.8 | 0 | 0 | 0 | 111.4 | A214 E215 L220 E221 R222 | A214-D218 WeakPolarHBondContact O-CB 3.49Å; A214-D218 PolarHBondContact O-N 2.8Å; E215-D218 PolarHBondContact O-N 2.97Å; D218-L220 PolarHBondContact O-N 3.43Å; D218-E221 PolarHBondContact O-N 3.14Å; D218-R222 VanDerWaalsContact O-CG 3.29Å; D218-R222 WeakPolarHBondContact O-CG 3.41Å; D218-R222 PolarHBondContact O-N 3.5Å; D218-R222 IonicContact OD1-NE 2.8Å; D218-R222 IonicContact OD2-CZ 3.43Å; D218-R222 IonicContact OD2-NE 3.14Å; D218-R222 PolarHBondContact OD2-NE 2.77Å; D218-R222 IonicContact OD2-NH2 3.07Å; D218-R222 PolarHBondContact OD2-NH2 3.44Å |
| 219 | M | 86.2 | Confident | 85.2 | Confident | 95 Ų | 95 | 98.8 Ų | 98.8 | 47% | 0.468 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.9 | -45 | 173.4 | -75.3 | -167.2 | -63.3 | 0 | 0 | 112.6 | E215 K216 E221 R222 I223 | E215-M219 HydrophobicContact CG-CE 4.48Å; E215-M219 WeakPolarHBondContact O-CB 3.44Å; E215-M219 WeakPolarHBondContact O-CG 3.33Å; E215-M219 PolarHBondContact O-N 3.32Å; K216-M219 PolarHBondContact O-N 3.16Å; M219-E221 VanDerWaalsContact C-N 3.28Å; M219-E221 PolarHBondContact O-N 3.29Å; M219-R222 PolarHBondContact O-N 3.01Å; M219-I223 WeakPolarHBondContact O-CG1 3.36Å; M219-I223 PolarHBondContact O-N 3.15Å; M219-I223 VanDerWaalsContact O-N 3.12Å |
| 220 | L | 90.6 | Very high | 85.7 | Confident | 98 Ų | 98 | 93.6 Ų | 93.6 | 51% | 0.513 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.6 | -41.7 | 176 | -74.3 | 172.2 | 0 | 0 | 0 | 110.9 | K216 L217 D218 I223 R224 | K216-L220 HydrophobicContact CG-CD1 4.29Å; K216-L220 WeakPolarHBondContact O-CB 3.29Å; K216-L220 VanDerWaalsContact O-CG 3.29Å; K216-L220 WeakPolarHBondContact O-CG 3.49Å; K216-L220 PolarHBondContact O-N 2.96Å; L217-L220 PolarHBondContact O-N 3.34Å; D218-L220 PolarHBondContact O-N 3.43Å; L220-I223 PolarHBondContact O-N 3.36Å; L220-R224 WeakPolarHBondContact O-CB 3.21Å; L220-R224 PolarHBondContact O-N 3.48Å |
| 221 | E | 85.8 | Confident | 86.2 | Confident | 52 Ų | 52 | 95.1 Ų | 95.1 | 24% | 0.243 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -67.3 | -37.9 | 178.4 | -175.2 | 49 | -135.7 | 0 | 0 | 111.6 | L217 D218 M219 I223 R224 Y240 K244 | L217-E221 WeakPolarHBondContact O-CB 3.47Å; L217-E221 PolarHBondContact O-N 2.94Å; D218-E221 PolarHBondContact O-N 3.14Å; M219-E221 VanDerWaalsContact C-N 3.28Å; M219-E221 PolarHBondContact O-N 3.29Å; E221-I223 VanDerWaalsContact C-N 3.35Å; E221-I223 PolarHBondContact O-N 2.86Å; E221-R224 PolarHBondContact O-N 3.47Å; E221-R224 IonicContact OE1-CZ 2.65Å; E221-R224 IonicContact OE1-NE 2.94Å; E221-R224 PolarHBondContact OE1-NE 3.23Å; E221-R224 IonicContact OE1-NH2 3.75Å; E221-R224 PolarHBondContact OE1-NH2 3.48Å; E221-R224 IonicContact OE2-CZ 3.72Å; E221-R224 IonicContact OE2-NE 2.94Å; E221-R224 PolarHBondContact OE2-NE 2.85Å; E221-R224 IonicContact OE2-NH2 3.79Å; E221-Y240 HydrophobicContact CG-CE1 4.37Å; E221-Y240 WeakPolarHBondContact CG-OH 3.4Å; E221-Y240 VanDerWaalsContact OE1-CE1 3.31Å; E221-Y240 WeakPolarHBondContact OE1-CE1 3.47Å; E221-Y240 PolarHBondContact OE1-OH 3.27Å; E221-K244 WeakPolarHBondContact O-CE 3.45Å; E221-K244 PolarHBondContact O-NZ 3.31Å; E221-K244 IonicContact OE1-NZ 2.94Å; E221-K244 PolarHBondContact OE1-NZ 3.42Å |
| 222 | R | 82.7 | Confident | 87 | Confident | 174 Ų | 174 | 96.9 Ų | 96.9 | 66% | 0.657 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.6 | -39.2 | 174.2 | -71 | 173.4 | -167 | -164.9 | 3.4 | 112.9 | D218 M219 | D218-R222 VanDerWaalsContact O-CG 3.29Å; D218-R222 WeakPolarHBondContact O-CG 3.41Å; D218-R222 PolarHBondContact O-N 3.5Å; D218-R222 IonicContact OD1-NE 2.8Å; D218-R222 IonicContact OD2-CZ 3.43Å; D218-R222 IonicContact OD2-NE 3.14Å; D218-R222 PolarHBondContact OD2-NE 2.77Å; D218-R222 IonicContact OD2-NH2 3.07Å; D218-R222 PolarHBondContact OD2-NH2 3.44Å; M219-R222 PolarHBondContact O-N 3.01Å |
| 223 | I | 85.9 | Confident | 87.6 | Confident | 142 Ų | 142 | 94.6 Ų | 94.6 | 73% | 0.728 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -82.5 | -26.8 | -177.2 | -61.2 | 164.6 | 0 | 0 | 0 | 111.9 | M219 L220 E221 K225 | M219-I223 WeakPolarHBondContact O-CG1 3.36Å; M219-I223 PolarHBondContact O-N 3.15Å; M219-I223 VanDerWaalsContact O-N 3.12Å; L220-I223 PolarHBondContact O-N 3.36Å; E221-I223 VanDerWaalsContact C-N 3.35Å; E221-I223 PolarHBondContact O-N 2.86Å; I223-K225 PolarHBondContact O-N 2.65Å |
| 224 | R | 89.2 | Confident | 88 | Confident | 74 Ų | 74 | 98.7 Ų | 98.7 | 28% | 0.279 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -57.2 | 140 | -179.5 | -170 | -173.6 | 62.8 | 82.8 | -8.2 | 110.3 | L220 E221 L227 E241 K244 | L220-R224 WeakPolarHBondContact O-CB 3.21Å; L220-R224 PolarHBondContact O-N 3.48Å; E221-R224 PolarHBondContact O-N 3.47Å; E221-R224 IonicContact OE1-CZ 2.65Å; E221-R224 IonicContact OE1-NE 2.94Å; E221-R224 PolarHBondContact OE1-NE 3.23Å; E221-R224 IonicContact OE1-NH2 3.75Å; E221-R224 PolarHBondContact OE1-NH2 3.48Å; E221-R224 IonicContact OE2-CZ 3.72Å; E221-R224 IonicContact OE2-NE 2.94Å; E221-R224 PolarHBondContact OE2-NE 2.85Å; E221-R224 IonicContact OE2-NH2 3.79Å; R224-L227 VanDerWaalsContact NH1-CG 3.3Å; R224-E241 IonicContact CZ-OE1 3.83Å; R224-E241 IonicContact NH1-OE2 3.86Å; R224-E241 IonicContact NH2-OE1 2.71Å; R224-E241 PolarHBondContact NH2-OE1 3.05Å; R224-E241 IonicContact NH2-OE2 3.45Å; R224-E241 PolarHBondContact NH2-OE2 3.18Å; R224-K244 WeakPolarHBondContact O-CE 3.33Å; R224-K244 PolarHBondContact O-NZ 2.93Å |
| 225 | K | 88.7 | Confident | 88.5 | Confident | 120 Ų | 120 | 100 Ų | 100 | 52% | 0.522 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -66 | 159.5 | 170.3 | -66.1 | 179.1 | -171.4 | 172.3 | 0 | 111 | I223 Y257 | I223-K225 PolarHBondContact O-N 2.65Å; K225-Y257 HydrophobicContact CD-CE1 4.36Å; K225-Y257 WeakPolarHBondContact CE-OH 3.39Å; K225-Y257 PolarHBondContact NZ-OH 3.43Å |
| 226 | P | 89.5 | Confident | 88.8 | Confident | 22 Ų | 22 | 101.5 Ų | 101.5 | 14% | 0.143 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -51.4 | 147.2 | 169.4 | -23.7 | 32.7 | 0 | 0 | 0 | 111.6 | E241 K244 H245 L248 | P226-E241 VanDerWaalsContact CA-OE2 3.29Å; P226-E241 WeakPolarHBondContact CA-OE2 3.41Å; P226-K244 HydrophobicContact CG-CB 4.29Å; P226-K244 HydrophobicContact CG-CD 4.35Å; P226-K244 HydrophobicContact CG-CG 4.18Å; P226-H245 HydrophobicContact CB-CB 4.31Å; P226-H245 HydrophobicContact CG-CB 4.03Å; P226-L248 HydrophobicContact CG-CD2 4.45Å |
| 227 | L | 90 | Very high | 88.7 | Confident | 65 Ų | 65 | 98.9 Ų | 98.9 | 34% | 0.34 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -59 | 141.8 | 177.5 | -73.3 | 172.4 | 0 | 0 | 0 | 110.8 | R224 K229 W230 I233 E241 | R224-L227 VanDerWaalsContact NH1-CG 3.3Å; L227-K229 PolarHBondContact O-N 3.32Å; L227-W230 HydrophobicContact CB-CB 4.28Å; L227-W230 WeakPolarHBondContact O-CB 3.39Å; L227-W230 VanDerWaalsContact O-CD1 3.27Å; L227-W230 PolarHBondContact O-N 3.48Å; L227-I233 HydrophobicContact CD1-CD1 3.83Å; L227-E241 HydrophobicContact CD1-CG 4.24Å; L227-E241 HydrophobicContact CG-CG 4.48Å; L227-E241 PolarHBondContact N-OE2 2.65Å |
| 228 | P | 89.5 | Confident | 88.7 | Confident | 120 Ų | 120 | 97.2 Ų | 97.2 | 78% | 0.779 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 137.3 | 170.8 | 27.5 | -33 | 0 | 0 | 0 | 109.2 | W230 | P228-W230 PolarHBondContact O-N 3.37Š|
| 229 | K | 90.1 | Very high | 89.1 | Confident | 139 Ų | 139 | 101.2 Ų | 101.2 | 60% | 0.604 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 31.6 | -175.9 | -52.6 | -179.8 | -179.6 | 178.3 | 0 | 113.6 | L227 Y231 T232 | L227-K229 PolarHBondContact O-N 3.32Å; K229-Y231 HydrophobicContact CB-CE1 4.24Å; K229-Y231 HydrophobicContact CG-CE1 4.43Å; K229-Y231 PolarHBondContact O-N 3.47Å; K229-T232 HydrophobicContact CB-CG2 4.33Å; K229-T232 PolarHBondContact O-N 2.91Å; K229-T232 PolarHBondContact O-OG1 3.49Å |
| 230 | W | 91 | Very high | 89.1 | Confident | 43 Ų | 43 | 101.2 Ų | 101.2 | 16% | 0.163 | 48% | 0.484 | C | S | . | . | G | 310 helix | trans | -51.7 | -27.8 | 175.7 | 63 | -95.5 | 0 | 0 | 0 | 113.4 | L227 P228 T232 I233 F238 E241 A242 H245 | L227-W230 HydrophobicContact CB-CB 4.28Å; L227-W230 WeakPolarHBondContact O-CB 3.39Å; L227-W230 VanDerWaalsContact O-CD1 3.27Å; L227-W230 PolarHBondContact O-N 3.48Å; P228-W230 PolarHBondContact O-N 3.37Å; W230-T232 PolarHBondContact O-N 2.97Å; W230-I233 HydrophobicContact CB-CD1 4.24Å; W230-I233 WeakPolarHBondContact O-CB 3.47Å; W230-I233 WeakPolarHBondContact O-CG1 3.37Å; W230-I233 PolarHBondContact O-N 3.16Å; W230-I233 VanDerWaalsContact O-N 3.13Å; W230-F238 HydrophobicContact CE3-CD2 4.12Å; W230-F238 AromaticContact CE3-CE2 3.95Å; W230-F238 HydrophobicContact CE3-CE2 3.95Å; W230-F238 HydrophobicContact CZ3-CD2 4.16Å; W230-F238 AromaticContact CZ3-CE2 3.56Å; W230-F238 HydrophobicContact CZ3-CE2 3.56Å; W230-F238 HydrophobicContact CZ3-CZ 4.02Å; W230-E241 HydrophobicContact CB-CB 3.56Å; W230-E241 HydrophobicContact CB-CG 4.04Å; W230-E241 HydrophobicContact CD2-CB 4.35Å; W230-E241 HydrophobicContact CE3-CB 4.39Å; W230-E241 HydrophobicContact CG-CB 4.04Å; W230-A242 HydrophobicContact CE3-CB 4.04Å; W230-A242 HydrophobicContact CH2-CB 3.9Å; W230-A242 HydrophobicContact CZ3-CB 3.41Å; W230-A242 VanDerWaalsContact CZ3-CB 3.41Å; W230-H245 AromaticContact CE2-CD2 3.92Å; W230-H245 AromaticContact CE2-CG 3.84Å; W230-H245 HydrophobicContact CZ2-CB 3.92Å; W230-H245 AromaticContact CZ2-CG 3.68Å; W230-H245 AromaticContact CZ2-ND1 3.82Å; W230-H245 AromaticContact NE1-CD2 3.28Å; W230-H245 PolarHBondContact NE1-CD2 3.32Å; W230-H245 VanDerWaalsContact NE1-CD2 3.28Å; W230-H245 AromaticContact NE1-CG 3.65Å; W230-H245 AromaticContact NE1-NE2 3.96Å |
| 231 | Y | 91.3 | Very high | 89 | Confident | 150 Ų | 150 | 96.6 Ų | 96.6 | 59% | 0.588 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -65.8 | -11.4 | 176.6 | 60 | -97.7 | 0 | 0 | 0 | 114.6 | K229 | K229-Y231 HydrophobicContact CB-CE1 4.24Å; K229-Y231 HydrophobicContact CG-CE1 4.43Å; K229-Y231 PolarHBondContact O-N 3.47Å |
| 232 | T | 94.6 | Very high | 89.2 | Confident | 89 Ų | 89 | 94.8 Ų | 94.8 | 55% | 0.546 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -93.1 | -6.3 | 174.3 | 64.2 | 0 | 0 | 0 | 0 | 113.5 | K229 W230 | K229-T232 HydrophobicContact CB-CG2 4.33Å; K229-T232 PolarHBondContact O-N 2.91Å; K229-T232 PolarHBondContact O-OG1 3.49Å; W230-T232 PolarHBondContact O-N 2.97Å |
| 233 | I | 91.7 | Very high | 89.4 | Confident | 40 Ų | 40 | 94.5 Ų | 94.5 | 21% | 0.205 | 45% | 0.452 | C | S | . | . | trans | -71.5 | 128.9 | -177.9 | -62.6 | 173.2 | 0 | 0 | 0 | 109.5 | L227 W230 T235 Q237 F238 E241 | L227-I233 HydrophobicContact CD1-CD1 3.83Å; W230-I233 HydrophobicContact CB-CD1 4.24Å; W230-I233 WeakPolarHBondContact O-CB 3.47Å; W230-I233 WeakPolarHBondContact O-CG1 3.37Å; W230-I233 PolarHBondContact O-N 3.16Å; W230-I233 VanDerWaalsContact O-N 3.13Å; I233-T235 WeakPolarHBondContact CG2-OG1 3.35Å; I233-Q237 HydrophobicContact CG2-CB 4.19Å; I233-F238 HydrophobicContact CB-CB 4.44Å; I233-F238 HydrophobicContact CG2-CB 4.37Å; I233-E241 HydrophobicContact CD1-CG 4.22Å | ||
| 234 | K | 91.6 | Very high | 89.5 | Confident | 211 Ų | 211 | 88.9 Ų | 88.9 | 92% | 0.917 | 42% | 0.423 | S | S | * | . | trans | -101.2 | -1.9 | 177.8 | -64.7 | -175.7 | 178.6 | -178.4 | 0 | 114 | ||||
| 235 | T | 91 | Very high | 89.5 | Confident | 82 Ų | 82 | 87.3 Ų | 87.3 | 50% | 0.503 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -88 | 165.7 | 177.7 | 63.9 | 0 | 0 | 0 | 0 | 110.6 | I233 Q237 F238 | I233-T235 WeakPolarHBondContact CG2-OG1 3.35Å; T235-Q237 PolarHBondContact O-N 3.11Å; T235-Q237 WeakPolarHBondContact OG1-CB 3.34Å; T235-F238 WeakPolarHBondContact O-CB 3.42Å; T235-F238 PolarHBondContact O-N 2.87Å |
| 236 | P | 87.8 | Confident | 89.4 | Confident | 112 Ų | 112 | 85.6 Ų | 85.6 | 73% | 0.727 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -18.1 | 174.7 | -27.9 | 36.5 | 0 | 0 | 0 | 114.8 | F238 F239 | P236-F238 PolarHBondContact O-N 3.25Å; P236-F238 VanDerWaalsContact O-N 3.16Å; P236-F239 PolarHBondContact O-N 2.85Å |
| 237 | Q | 86 | Confident | 89.2 | Confident | 79 Ų | 79 | 89.1 Ų | 89.1 | 37% | 0.369 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -57.3 | -24.8 | 172.6 | -168.1 | 64.3 | 19.2 | 0 | 0 | 112.9 | I233 T235 F239 Y240 E241 | I233-Q237 HydrophobicContact CG2-CB 4.19Å; T235-Q237 PolarHBondContact O-N 3.11Å; T235-Q237 WeakPolarHBondContact OG1-CB 3.34Å; Q237-F239 VanDerWaalsContact C-N 3.3Å; Q237-F239 PolarHBondContact O-N 3.17Å; Q237-Y240 WeakPolarHBondContact O-CB 3.31Å; Q237-Y240 PolarHBondContact O-N 3.46Å; Q237-E241 HydrophobicContact CG-CG 4.21Å; Q237-E241 PolarHBondContact NE2-OE1 3.35Å; Q237-E241 WeakPolarHBondContact O-CG 3.35Å; Q237-E241 PolarHBondContact O-N 3.45Å |
| 238 | F | 87.3 | Confident | 88.9 | Confident | 68 Ų | 68 | 88 Ų | 88 | 30% | 0.298 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -51.4 | -47.8 | 175.1 | 170 | -96.6 | 0 | 0 | 0 | 112.4 | W230 I233 T235 P236 Y240 E241 A242 | W230-F238 HydrophobicContact CE3-CD2 4.12Å; W230-F238 AromaticContact CE3-CE2 3.95Å; W230-F238 HydrophobicContact CE3-CE2 3.95Å; W230-F238 HydrophobicContact CZ3-CD2 4.16Å; W230-F238 AromaticContact CZ3-CE2 3.56Å; W230-F238 HydrophobicContact CZ3-CE2 3.56Å; W230-F238 HydrophobicContact CZ3-CZ 4.02Å; I233-F238 HydrophobicContact CB-CB 4.44Å; I233-F238 HydrophobicContact CG2-CB 4.37Å; T235-F238 WeakPolarHBondContact O-CB 3.42Å; T235-F238 PolarHBondContact O-N 2.87Å; P236-F238 PolarHBondContact O-N 3.25Å; P236-F238 VanDerWaalsContact O-N 3.16Å; F238-Y240 VanDerWaalsContact C-N 3.3Å; F238-Y240 PolarHBondContact O-N 2.86Å; F238-E241 PolarHBondContact O-N 2.94Å; F238-A242 WeakPolarHBondContact O-CB 3.49Å; F238-A242 PolarHBondContact O-N 3.41Å |
| 239 | F | 89.5 | Confident | 88.5 | Confident | 151 Ų | 151 | 86.4 Ų | 86.4 | 66% | 0.662 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -65.7 | -36.7 | -177.5 | -64.7 | -74.9 | 0 | 0 | 0 | 112.1 | P236 Q237 R243 | P236-F239 PolarHBondContact O-N 2.85Å; Q237-F239 VanDerWaalsContact C-N 3.3Å; Q237-F239 PolarHBondContact O-N 3.17Å; F239-R243 VanDerWaalsContact O-CB 3.31Å; F239-R243 WeakPolarHBondContact O-CB 3.31Å; F239-R243 PolarHBondContact O-N 2.76Å |
| 240 | Y | 86.5 | Confident | 88.1 | Confident | 95 Ų | 95 | 87.9 Ų | 87.9 | 37% | 0.373 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.6 | -49.9 | 177.1 | 179.4 | -93.7 | 0 | 0 | 0 | 111.3 | E221 Q237 F238 R243 K244 | E221-Y240 HydrophobicContact CG-CE1 4.37Å; E221-Y240 WeakPolarHBondContact CG-OH 3.4Å; E221-Y240 VanDerWaalsContact OE1-CE1 3.31Å; E221-Y240 WeakPolarHBondContact OE1-CE1 3.47Å; E221-Y240 PolarHBondContact OE1-OH 3.27Å; Q237-Y240 WeakPolarHBondContact O-CB 3.31Å; Q237-Y240 PolarHBondContact O-N 3.46Å; F238-Y240 VanDerWaalsContact C-N 3.3Å; F238-Y240 PolarHBondContact O-N 2.86Å; Y240-R243 PolarHBondContact O-N 2.83Å; Y240-K244 HydrophobicContact CE1-CD 4.49Å; Y240-K244 PolarHBondContact O-N 2.7Å |
| 241 | E | 89.3 | Confident | 87.3 | Confident | 0 Ų | 0 | 88 Ų | 88 | 0% | 0 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -66.2 | -39.5 | 177.9 | -61.3 | -63.9 | 152.4 | 0 | 0 | 112.5 | R224 P226 L227 W230 I233 Q237 F238 R243 K244 H245 | R224-E241 IonicContact CZ-OE1 3.83Å; R224-E241 IonicContact NH1-OE2 3.86Å; R224-E241 IonicContact NH2-OE1 2.71Å; R224-E241 PolarHBondContact NH2-OE1 3.05Å; R224-E241 IonicContact NH2-OE2 3.45Å; R224-E241 PolarHBondContact NH2-OE2 3.18Å; P226-E241 VanDerWaalsContact CA-OE2 3.29Å; P226-E241 WeakPolarHBondContact CA-OE2 3.41Å; L227-E241 HydrophobicContact CD1-CG 4.24Å; L227-E241 HydrophobicContact CG-CG 4.48Å; L227-E241 PolarHBondContact N-OE2 2.65Å; W230-E241 HydrophobicContact CB-CB 3.56Å; W230-E241 HydrophobicContact CB-CG 4.04Å; W230-E241 HydrophobicContact CD2-CB 4.35Å; W230-E241 HydrophobicContact CE3-CB 4.39Å; W230-E241 HydrophobicContact CG-CB 4.04Å; I233-E241 HydrophobicContact CD1-CG 4.22Å; Q237-E241 HydrophobicContact CG-CG 4.21Å; Q237-E241 PolarHBondContact NE2-OE1 3.35Å; Q237-E241 WeakPolarHBondContact O-CG 3.35Å; Q237-E241 PolarHBondContact O-N 3.45Å; F238-E241 PolarHBondContact O-N 2.94Å; E241-R243 VanDerWaalsContact C-N 3.34Å; E241-R243 PolarHBondContact O-N 3.28Å; E241-K244 WeakPolarHBondContact O-CB 3.34Å; E241-K244 PolarHBondContact O-N 3.28Å; E241-H245 WeakPolarHBondContact O-CB 3.21Å; E241-H245 PolarHBondContact O-N 3.4Å |
| 242 | A | 89.2 | Confident | 85.8 | Confident | 14 Ų | 14 | 93 Ų | 93 | 12% | 0.116 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | W230 F238 H245 N246 | W230-A242 HydrophobicContact CE3-CB 4.04Å; W230-A242 HydrophobicContact CH2-CB 3.9Å; W230-A242 HydrophobicContact CZ3-CB 3.41Å; W230-A242 VanDerWaalsContact CZ3-CB 3.41Å; F238-A242 WeakPolarHBondContact O-CB 3.49Å; F238-A242 PolarHBondContact O-N 3.41Å; A242-H245 PolarHBondContact O-N 2.72Å; A242-N246 WeakPolarHBondContact O-CB 3.39Å; A242-N246 PolarHBondContact O-N 2.94Å; A242-N246 PolarHBondContact O-ND2 3.16Å |
| 243 | R | 88.5 | Confident | 84.2 | Confident | 169 Ų | 169 | 95.5 Ų | 95.5 | 64% | 0.638 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -60.6 | -47.2 | 175.5 | 180 | 178.4 | 176.4 | 161.7 | 1.6 | 111.1 | F239 Y240 E241 H245 N246 E247 | F239-R243 VanDerWaalsContact O-CB 3.31Å; F239-R243 WeakPolarHBondContact O-CB 3.31Å; F239-R243 PolarHBondContact O-N 2.76Å; Y240-R243 PolarHBondContact O-N 2.83Å; E241-R243 VanDerWaalsContact C-N 3.34Å; E241-R243 PolarHBondContact O-N 3.28Å; R243-H245 VanDerWaalsContact C-N 3.35Å; R243-H245 PolarHBondContact O-N 3.17Å; R243-N246 PolarHBondContact O-N 3.38Å; R243-E247 WeakPolarHBondContact CG-OE1 3.38Å; R243-E247 IonicContact CZ-OE1 2.76Å; R243-E247 IonicContact NE-OE1 3.28Å; R243-E247 PolarHBondContact NE-OE1 2.95Å; R243-E247 IonicContact NH2-OE1 2.83Å; R243-E247 WeakPolarHBondContact O-CG 3.29Å; R243-E247 PolarHBondContact O-N 2.97Å |
| 244 | K | 87.8 | Confident | 82.4 | Confident | 23 Ų | 23 | 95.8 Ų | 95.8 | 10% | 0.1 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -61 | -42.8 | 179 | -160.6 | -178.8 | -156 | -179.1 | 0 | 112.3 | E221 R224 P226 Y240 E241 E247 L248 | E221-K244 WeakPolarHBondContact O-CE 3.45Å; E221-K244 PolarHBondContact O-NZ 3.31Å; E221-K244 IonicContact OE1-NZ 2.94Å; E221-K244 PolarHBondContact OE1-NZ 3.42Å; R224-K244 WeakPolarHBondContact O-CE 3.33Å; R224-K244 PolarHBondContact O-NZ 2.93Å; P226-K244 HydrophobicContact CG-CB 4.29Å; P226-K244 HydrophobicContact CG-CD 4.35Å; P226-K244 HydrophobicContact CG-CG 4.18Å; Y240-K244 HydrophobicContact CE1-CD 4.49Å; Y240-K244 PolarHBondContact O-N 2.7Å; E241-K244 WeakPolarHBondContact O-CB 3.34Å; E241-K244 PolarHBondContact O-N 3.28Å; K244-E247 PolarHBondContact O-N 3.03Å; K244-L248 WeakPolarHBondContact O-CB 2.87Å; K244-L248 PolarHBondContact O-N 2.86Å |
| 245 | H | 87.7 | Confident | 80.6 | Confident | 41 Ų | 41 | 90.6 Ų | 90.6 | 19% | 0.19 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 173.8 | -175.9 | -86.4 | 0 | 0 | 0 | 111.6 | P226 W230 E241 A242 R243 L248 L249 Y254 | P226-H245 HydrophobicContact CB-CB 4.31Å; P226-H245 HydrophobicContact CG-CB 4.03Å; W230-H245 AromaticContact CE2-CD2 3.92Å; W230-H245 AromaticContact CE2-CG 3.84Å; W230-H245 HydrophobicContact CZ2-CB 3.92Å; W230-H245 AromaticContact CZ2-CG 3.68Å; W230-H245 AromaticContact CZ2-ND1 3.82Å; W230-H245 AromaticContact NE1-CD2 3.28Å; W230-H245 PolarHBondContact NE1-CD2 3.32Å; W230-H245 VanDerWaalsContact NE1-CD2 3.28Å; W230-H245 AromaticContact NE1-CG 3.65Å; W230-H245 AromaticContact NE1-NE2 3.96Å; E241-H245 WeakPolarHBondContact O-CB 3.21Å; E241-H245 PolarHBondContact O-N 3.4Å; A242-H245 PolarHBondContact O-N 2.72Å; R243-H245 VanDerWaalsContact C-N 3.35Å; R243-H245 PolarHBondContact O-N 3.17Å; H245-L248 PolarHBondContact O-N 3.28Å; H245-L249 WeakPolarHBondContact O-CG 3.49Å; H245-L249 PolarHBondContact O-N 2.89Å; H245-Y254 PolarHBondContact CD2-OH 3.26Å; H245-Y254 AromaticContact NE2-CZ 3.78Å; H245-Y254 PolarHBondContact NE2-OH 2.86Å |
| 246 | N | 87.2 | Confident | 79.1 | Confident | 85 Ų | 85 | 92.7 Ų | 92.7 | 46% | 0.455 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66 | -37.8 | 177.5 | -70 | -19.5 | 0 | 0 | 0 | 112.8 | A242 R243 L248 L249 K250 | A242-N246 WeakPolarHBondContact O-CB 3.39Å; A242-N246 PolarHBondContact O-N 2.94Å; A242-N246 PolarHBondContact O-ND2 3.16Å; R243-N246 PolarHBondContact O-N 3.38Å; N246-L248 VanDerWaalsContact C-N 3.35Å; N246-L249 PolarHBondContact O-N 2.81Å; N246-K250 WeakPolarHBondContact O-CG 3.36Å; N246-K250 PolarHBondContact O-N 2.71Å; N246-K250 VanDerWaalsContact O-N 3.11Å |
| 247 | E | 85.1 | Confident | 77.6 | Confident | 95 Ų | 95 | 92.9 Ų | 92.9 | 44% | 0.444 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 172.5 | -74.5 | 172.4 | -173.6 | 0 | 0 | 110.9 | R243 K244 L249 K250 S251 | R243-E247 WeakPolarHBondContact CG-OE1 3.38Å; R243-E247 IonicContact CZ-OE1 2.76Å; R243-E247 IonicContact NE-OE1 3.28Å; R243-E247 PolarHBondContact NE-OE1 2.95Å; R243-E247 IonicContact NH2-OE1 2.83Å; R243-E247 WeakPolarHBondContact O-CG 3.29Å; R243-E247 PolarHBondContact O-N 2.97Å; K244-E247 PolarHBondContact O-N 3.03Å; E247-L249 VanDerWaalsContact C-N 3.33Å; E247-L249 PolarHBondContact O-N 3.45Å; E247-K250 WeakPolarHBondContact O-CB 3.39Å; E247-K250 PolarHBondContact O-N 3.3Å; E247-K250 VanDerWaalsContact O-N 3.16Å; E247-S251 PolarHBondContact O-N 3.18Å; E247-S251 VanDerWaalsContact O-N 3.14Å |
| 248 | L | 83.8 | Confident | 75.9 | Confident | 43 Ų | 43 | 96.1 Ų | 96.1 | 23% | 0.225 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -63.7 | -37 | 175 | -170 | 73.7 | 0 | 0 | 0 | 111.7 | P226 K244 H245 N246 K250 S251 Y254 | P226-L248 HydrophobicContact CG-CD2 4.45Å; K244-L248 WeakPolarHBondContact O-CB 2.87Å; K244-L248 PolarHBondContact O-N 2.86Å; H245-L248 PolarHBondContact O-N 3.28Å; N246-L248 VanDerWaalsContact C-N 3.35Å; L248-K250 VanDerWaalsContact C-N 3.31Å; L248-K250 PolarHBondContact O-N 3.13Å; L248-S251 WeakPolarHBondContact CA-OG 3.32Å; L248-S251 PolarHBondContact O-N 2.88Å; L248-S251 PolarHBondContact O-OG 2.91Å; L248-Y254 VanDerWaalsContact C-CE2 3.46Å; L248-Y254 HydrophobicContact CB-CD2 4.45Å; L248-Y254 HydrophobicContact CB-CE2 3.66Å; L248-Y254 HydrophobicContact CD2-CD2 4.26Å; L248-Y254 HydrophobicContact CD2-CE2 3.41Å; L248-Y254 VanDerWaalsContact CD2-CE2 3.41Å; L248-Y254 HydrophobicContact CG-CD2 3.9Å; L248-Y254 HydrophobicContact CG-CE2 3.32Å; L248-Y254 WeakPolarHBondContact O-CD2 3.16Å |
| 249 | L | 81.7 | Confident | 73.6 | Confident | 86 Ų | 86 | 107.2 Ų | 107.2 | 45% | 0.45 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.7 | -31.8 | 174.3 | -73.8 | 172.6 | 0 | 0 | 0 | 112.8 | H245 N246 E247 Y254 | H245-L249 WeakPolarHBondContact O-CG 3.49Å; H245-L249 PolarHBondContact O-N 2.89Å; N246-L249 PolarHBondContact O-N 2.81Å; E247-L249 VanDerWaalsContact C-N 3.33Å; E247-L249 PolarHBondContact O-N 3.45Å; L249-Y254 HydrophobicContact CB-CD2 4.44Å; L249-Y254 HydrophobicContact CB-CE2 4.34Å; L249-Y254 HydrophobicContact CD2-CD1 3.83Å; L249-Y254 HydrophobicContact CD2-CD2 3.64Å; L249-Y254 HydrophobicContact CD2-CE1 3.84Å; L249-Y254 HydrophobicContact CD2-CE2 3.6Å; L249-Y254 HydrophobicContact CD2-CG 3.72Å; L249-Y254 HydrophobicContact CG-CD2 4.15Å; L249-Y254 HydrophobicContact CG-CE2 3.78Å |
| 250 | K | 81.3 | Confident | 72.8 | Confident | 169 Ų | 169 | 105 Ų | 105 | 74% | 0.735 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -72 | -39.9 | 177.6 | -72.2 | 172.6 | -176.7 | -179.3 | 0 | 111.9 | N246 E247 L248 R252 | N246-K250 WeakPolarHBondContact O-CG 3.36Å; N246-K250 PolarHBondContact O-N 2.71Å; N246-K250 VanDerWaalsContact O-N 3.11Å; E247-K250 WeakPolarHBondContact O-CB 3.39Å; E247-K250 PolarHBondContact O-N 3.3Å; E247-K250 VanDerWaalsContact O-N 3.16Å; L248-K250 VanDerWaalsContact C-N 3.31Å; L248-K250 PolarHBondContact O-N 3.13Å; K250-R252 PolarHBondContact O-N 2.98Å |
| 251 | S | 73.5 | Confident | 72.1 | Confident | 47 Ų | 47 | 105.5 Ų | 105.5 | 33% | 0.329 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | 116.1 | 166.7 | 57.9 | 0 | 0 | 0 | 0 | 107.5 | E247 L248 Q253 | E247-S251 PolarHBondContact O-N 3.18Å; E247-S251 VanDerWaalsContact O-N 3.14Å; L248-S251 WeakPolarHBondContact CA-OG 3.32Å; L248-S251 PolarHBondContact O-N 2.88Å; L248-S251 PolarHBondContact O-OG 2.91Å; S251-Q253 PolarHBondContact O-N 3.26Å |
| 252 | R | 61 | Low | 71.1 | Confident | 255 Ų | 255 | 111.4 Ų | 111.4 | 96% | 0.962 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 30.2 | -172.2 | -64.4 | 176.1 | 173.5 | -176.4 | -1.6 | 116.2 | K250 | K250-R252 PolarHBondContact O-N 2.98Š|
| 253 | Q | 60.2 | Low | 70 | Confident | 141 Ų | 141 | 117.1 Ų | 117.1 | 66% | 0.659 | 54% | 0.538 | S | S | * | . | trans | -95 | 20.2 | -174.7 | -65.7 | -177.5 | -18 | 0 | 0 | 113.7 | S251 | S251-Q253 PolarHBondContact O-N 3.26Š| ||
| 254 | Y | 54 | Low | 68.9 | Low | 46 Ų | 46 | 113.9 Ų | 113.9 | 18% | 0.18 | 53% | 0.532 | C | S | . | . | G | 310 helix | trans | -94 | 16.3 | -170.8 | -116.4 | -86.8 | 0 | 0 | 0 | 116.1 | H245 L248 L249 D256 | H245-Y254 PolarHBondContact CD2-OH 3.26Å; H245-Y254 AromaticContact NE2-CZ 3.78Å; H245-Y254 PolarHBondContact NE2-OH 2.86Å; L248-Y254 VanDerWaalsContact C-CE2 3.46Å; L248-Y254 HydrophobicContact CB-CD2 4.45Å; L248-Y254 HydrophobicContact CB-CE2 3.66Å; L248-Y254 HydrophobicContact CD2-CD2 4.26Å; L248-Y254 HydrophobicContact CD2-CE2 3.41Å; L248-Y254 VanDerWaalsContact CD2-CE2 3.41Å; L248-Y254 HydrophobicContact CG-CD2 3.9Å; L248-Y254 HydrophobicContact CG-CE2 3.32Å; L248-Y254 WeakPolarHBondContact O-CD2 3.16Å; L249-Y254 HydrophobicContact CB-CD2 4.44Å; L249-Y254 HydrophobicContact CB-CE2 4.34Å; L249-Y254 HydrophobicContact CD2-CD1 3.83Å; L249-Y254 HydrophobicContact CD2-CD2 3.64Å; L249-Y254 HydrophobicContact CD2-CE1 3.84Å; L249-Y254 HydrophobicContact CD2-CE2 3.6Å; L249-Y254 HydrophobicContact CD2-CG 3.72Å; L249-Y254 HydrophobicContact CG-CD2 4.15Å; L249-Y254 HydrophobicContact CG-CE2 3.78Å; Y254-D256 PolarHBondContact O-N 3.2Å |
| 255 | S | 54.7 | Low | 67.6 | Low | 101 Ų | 101 | 119.9 Ų | 119.9 | 71% | 0.706 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -68 | -19.4 | 179.4 | 54 | 0 | 0 | 0 | 0 | 114 | ||
| 256 | D | 59.3 | Low | 66.2 | Low | 126 Ų | 126 | 125.6 Ų | 125.6 | 67% | 0.674 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -111 | 7.5 | -162.1 | -63.3 | 3.1 | 0 | 0 | 0 | 114.7 | Y254 | Y254-D256 PolarHBondContact O-N 3.2Š|
| 257 | Y | 56.3 | Low | 64.6 | Low | 117 Ų | 117 | 128.7 Ų | 128.7 | 46% | 0.459 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -121.9 | 13.7 | -172.5 | -60.2 | -74.6 | 0 | 0 | 0 | 115.5 | K225 | K225-Y257 HydrophobicContact CD-CE1 4.36Å; K225-Y257 WeakPolarHBondContact CE-OH 3.39Å; K225-Y257 PolarHBondContact NZ-OH 3.43Å |
| 258 | L | 49 | Very low | 62.8 | Low | 147 Ų | 147 | 131.5 Ų | 131.5 | 77% | 0.77 | 61% | 0.61 | S | S | * | * | trans | -104.4 | 14.6 | 179.8 | -81.8 | 169.4 | 0 | 0 | 0 | 114.6 | ||||
| 259 | Y | 39.5 | Very low | 60.9 | Low | 300 Ų | 300 | 139.5 Ų | 139.5 | 100% | 1.176 | 65% | 0.645 | S | S | * | * | trans | -129.8 | 0 | 171 | -77.2 | -80.8 | 0 | 0 | 0 | 111.7 |
Retrieved 259 of 259 residues in 252.5 ms
(Link to these results)