| 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 | 52.8 | Low | 62.3 | Low | 210 Ų | 210 | 130.5 Ų | 130.5 | 100% | 1.034 | 66% | 0.662 | S | S | * | * | 0 | -39.8 | 0 | -69 | -128.9 | -84.4 | 0 | 0 | 113.7 | V3 Q4 | M1-V3 PolarHBondContact O-N 3.28Å; M1-Q4 PolarHBondContact O-N 3.35Å | |||
| 2 | A | 56.8 | Low | 62.3 | Low | 82 Ų | 82 | 131.3 Ų | 131.3 | 68% | 0.678 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -62.9 | -32.4 | 180 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q4 L6 | A2-Q4 PolarHBondContact O-N 2.84Å; A2-L6 PolarHBondContact O-N 3.14Å |
| 3 | V | 60.5 | Low | 62 | Low | 125 Ų | 125 | 128.8 Ų | 128.8 | 76% | 0.758 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -74.4 | -27.2 | -176.1 | -178.3 | 0 | 0 | 0 | 0 | 112.9 | M1 R7 | M1-V3 PolarHBondContact O-N 3.28Å; V3-R7 PolarHBondContact O-N 3.21Å |
| 4 | Q | 63.1 | Low | 61.3 | Low | 151 Ų | 151 | 126.9 Ų | 126.9 | 71% | 0.706 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -79.5 | -33.3 | 178.9 | -132.3 | 149.6 | -28.6 | 0 | 0 | 111.7 | M1 A2 R7 Q8 | M1-Q4 PolarHBondContact O-N 3.35Å; A2-Q4 PolarHBondContact O-N 2.84Å; Q4-R7 PolarHBondContact O-N 3.22Å; Q4-Q8 PolarHBondContact O-N 3.42Å; Q4-Q8 VanDerWaalsContact O-N 3.09Å |
| 5 | V | 65.3 | Low | 60.5 | Low | 90 Ų | 90 | 122.1 Ų | 122.1 | 55% | 0.545 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -65.5 | -43.9 | 173.3 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | R7 Q8 M9 | V5-R7 VanDerWaalsContact C-N 3.33Å; V5-R7 PolarHBondContact O-N 3.35Å; V5-Q8 PolarHBondContact O-N 2.86Å; V5-M9 WeakPolarHBondContact O-CB 3.33Å; V5-M9 PolarHBondContact O-N 3.31Å |
| 6 | L | 62.8 | Low | 59.5 | Low | 121 Ų | 121 | 121.2 Ų | 121.2 | 63% | 0.634 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -63.7 | -38.1 | 179.4 | -151.8 | 81.2 | 0 | 0 | 0 | 112.3 | A2 M9 V10 | A2-L6 PolarHBondContact O-N 3.14Å; L6-M9 PolarHBondContact O-N 3.11Å; L6-V10 VanDerWaalsContact O-CG2 3.3Å; L6-V10 WeakPolarHBondContact O-CG2 3.34Å; L6-V10 PolarHBondContact O-N 2.98Å |
| 7 | R | 64 | Low | 58.6 | Low | 173 Ų | 173 | 124.5 Ų | 124.5 | 65% | 0.653 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -71.6 | -40.2 | 179.4 | -157 | 172.8 | 179.4 | 175.3 | -1.4 | 111.8 | V3 Q4 V5 M9 V10 Y11 | V3-R7 PolarHBondContact O-N 3.21Å; Q4-R7 PolarHBondContact O-N 3.22Å; V5-R7 VanDerWaalsContact C-N 3.33Å; V5-R7 PolarHBondContact O-N 3.35Å; R7-M9 VanDerWaalsContact C-N 3.35Å; R7-V10 PolarHBondContact O-N 3.5Å; R7-Y11 HydrophobicContact CG-CD2 4.28Å; R7-Y11 HydrophobicContact CG-CE2 3.93Å; R7-Y11 WeakPolarHBondContact O-CD2 3.31Å; R7-Y11 PolarHBondContact O-N 2.98Å; R7-Y11 VanDerWaalsContact O-N 3.11Å |
| 8 | Q | 65.5 | Low | 57.5 | Low | 144 Ų | 144 | 122.8 Ų | 122.8 | 67% | 0.673 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -65 | -37.1 | 171.3 | -87.4 | 177.8 | -29.8 | 0 | 0 | 112.3 | Q4 V5 Y11 F12 | Q4-Q8 PolarHBondContact O-N 3.42Å; Q4-Q8 VanDerWaalsContact O-N 3.09Å; V5-Q8 PolarHBondContact O-N 2.86Å; Q8-Y11 PolarHBondContact O-N 2.86Å; Q8-F12 WeakPolarHBondContact O-CB 3.47Å; Q8-F12 PolarHBondContact O-N 3.36Å |
| 9 | M | 62.8 | Low | 56.2 | Low | 118 Ų | 118 | 123.9 Ų | 123.9 | 58% | 0.581 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.6 | -36.8 | 177.3 | -136.4 | -178 | 168.8 | 0 | 0 | 112.2 | V5 L6 R7 F12 L13 | V5-M9 WeakPolarHBondContact O-CB 3.33Å; V5-M9 PolarHBondContact O-N 3.31Å; L6-M9 PolarHBondContact O-N 3.11Å; R7-M9 VanDerWaalsContact C-N 3.35Å; M9-F12 PolarHBondContact O-N 2.91Å; M9-L13 WeakPolarHBondContact O-CB 3.46Å; M9-L13 WeakPolarHBondContact O-CG 3.27Å; M9-L13 PolarHBondContact O-N 2.92Å |
| 10 | V | 68.1 | Low | 54.9 | Low | 74 Ų | 74 | 123.9 Ų | 123.9 | 45% | 0.448 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -69 | -40.4 | 175.2 | 171 | 0 | 0 | 0 | 0 | 111.5 | L6 R7 F12 L13 L14 | L6-V10 VanDerWaalsContact O-CG2 3.3Å; L6-V10 WeakPolarHBondContact O-CG2 3.34Å; L6-V10 PolarHBondContact O-N 2.98Å; R7-V10 PolarHBondContact O-N 3.5Å; V10-F12 VanDerWaalsContact C-N 3.33Å; V10-L13 PolarHBondContact O-N 3.09Å; V10-L14 HydrophobicContact CG1-CD1 3.76Å; V10-L14 WeakPolarHBondContact O-CB 3.49Å; V10-L14 WeakPolarHBondContact O-CD1 3.33Å; V10-L14 WeakPolarHBondContact O-CG 3.46Å; V10-L14 PolarHBondContact O-N 3.49Å |
| 11 | Y | 63.8 | Low | 53.8 | Low | 147 Ų | 147 | 127.1 Ų | 127.1 | 58% | 0.576 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -66.9 | -33.7 | 171.9 | -77.2 | -68.6 | 0 | 0 | 0 | 112.5 | R7 Q8 L14 S15 | R7-Y11 HydrophobicContact CG-CD2 4.28Å; R7-Y11 HydrophobicContact CG-CE2 3.93Å; R7-Y11 WeakPolarHBondContact O-CD2 3.31Å; R7-Y11 PolarHBondContact O-N 2.98Å; R7-Y11 VanDerWaalsContact O-N 3.11Å; Q8-Y11 PolarHBondContact O-N 2.86Å; Y11-L14 PolarHBondContact O-N 3.13Å; Y11-S15 WeakPolarHBondContact O-CB 3.18Å; Y11-S15 PolarHBondContact O-N 3.28Å; Y11-S15 PolarHBondContact O-OG 3.45Å |
| 12 | F | 62.1 | Low | 52.6 | Low | 141 Ų | 141 | 120.7 Ų | 120.7 | 62% | 0.618 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -68.6 | -42.5 | 174.9 | -150.4 | -97.6 | 0 | 0 | 0 | 111.4 | Q8 M9 V10 S15 L16 | Q8-F12 WeakPolarHBondContact O-CB 3.47Å; Q8-F12 PolarHBondContact O-N 3.36Å; M9-F12 PolarHBondContact O-N 2.91Å; V10-F12 VanDerWaalsContact C-N 3.33Å; F12-S15 WeakPolarHBondContact CA-OG 3.23Å; F12-S15 PolarHBondContact O-N 3.48Å; F12-S15 PolarHBondContact O-OG 3.23Å; F12-L16 HydrophobicContact CD1-CD1 3.57Å; F12-L16 HydrophobicContact CE1-CD1 3.77Å; F12-L16 WeakPolarHBondContact O-CB 3.48Å; F12-L16 PolarHBondContact O-N 2.9Å |
| 13 | L | 58.4 | Low | 51.1 | Low | 98 Ų | 98 | 121 Ų | 121 | 51% | 0.513 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -66 | -36.3 | 174 | -80.7 | 159.2 | 0 | 0 | 0 | 112.7 | M9 V10 L16 F17 | M9-L13 WeakPolarHBondContact O-CB 3.46Å; M9-L13 WeakPolarHBondContact O-CG 3.27Å; M9-L13 PolarHBondContact O-N 2.92Å; V10-L13 PolarHBondContact O-N 3.09Å; L13-L16 PolarHBondContact O-N 2.85Å; L13-F17 PolarHBondContact O-N 3.18Å |
| 14 | L | 52.8 | Low | 49.5 | Very low | 102 Ų | 102 | 123.9 Ų | 123.9 | 53% | 0.534 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -71.7 | -32.6 | 173.3 | -81.1 | 155 | 0 | 0 | 0 | 112.2 | V10 Y11 F17 S18 | V10-L14 HydrophobicContact CG1-CD1 3.76Å; V10-L14 WeakPolarHBondContact O-CB 3.49Å; V10-L14 WeakPolarHBondContact O-CD1 3.33Å; V10-L14 WeakPolarHBondContact O-CG 3.46Å; V10-L14 PolarHBondContact O-N 3.49Å; Y11-L14 PolarHBondContact O-N 3.13Å; L14-F17 PolarHBondContact O-N 3.37Å; L14-S18 PolarHBondContact O-N 3.09Å; L14-S18 PolarHBondContact O-OG 3.07Å |
| 15 | S | 49.2 | Very low | 47.7 | Very low | 55 Ų | 55 | 122.7 Ų | 122.7 | 39% | 0.385 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -72.9 | -29.8 | 170.4 | 67.3 | 0 | 0 | 0 | 0 | 113.3 | Y11 F12 S18 L19 | Y11-S15 WeakPolarHBondContact O-CB 3.18Å; Y11-S15 PolarHBondContact O-N 3.28Å; Y11-S15 PolarHBondContact O-OG 3.45Å; F12-S15 WeakPolarHBondContact CA-OG 3.23Å; F12-S15 PolarHBondContact O-N 3.48Å; F12-S15 PolarHBondContact O-OG 3.23Å; S15-S18 WeakPolarHBondContact O-CB 3.32Å; S15-S18 PolarHBondContact O-N 2.92Å; S15-S18 VanDerWaalsContact O-N 3.14Å; S15-L19 PolarHBondContact O-N 3.29Å |
| 16 | L | 44.1 | Very low | 46 | Very low | 108 Ų | 108 | 121.6 Ų | 121.6 | 57% | 0.565 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -71.9 | -31.4 | 172.2 | -95.9 | 147 | 0 | 0 | 0 | 112.1 | F12 L13 S18 | F12-L16 HydrophobicContact CD1-CD1 3.57Å; F12-L16 HydrophobicContact CE1-CD1 3.77Å; F12-L16 WeakPolarHBondContact O-CB 3.48Å; F12-L16 PolarHBondContact O-N 2.9Å; L13-L16 PolarHBondContact O-N 2.85Å; L16-S18 PolarHBondContact O-N 3.44Å |
| 17 | F | 44.4 | Very low | 45.1 | Very low | 177 Ų | 177 | 119.7 Ų | 119.7 | 78% | 0.776 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -15.6 | 167.9 | -107.5 | -89.4 | 0 | 0 | 0 | 113.5 | L13 L14 | L13-F17 PolarHBondContact O-N 3.18Å; L14-F17 PolarHBondContact O-N 3.37Å |
| 18 | S | 38.5 | Very low | 44.8 | Very low | 95 Ų | 95 | 113.6 Ų | 113.6 | 66% | 0.664 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | -9.4 | -177.4 | -52.8 | 0 | 0 | 0 | 0 | 113.7 | L14 S15 L16 | L14-S18 PolarHBondContact O-N 3.09Å; L14-S18 PolarHBondContact O-OG 3.07Å; S15-S18 WeakPolarHBondContact O-CB 3.32Å; S15-S18 PolarHBondContact O-N 2.92Å; S15-S18 VanDerWaalsContact O-N 3.14Å; L16-S18 PolarHBondContact O-N 3.44Å |
| 19 | L | 32.9 | Very low | 45.2 | Very low | 143 Ų | 143 | 116.4 Ų | 116.4 | 75% | 0.749 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -112.6 | 70.6 | 171 | -88.4 | 153.5 | 0 | 0 | 0 | 108.7 | S15 Q21 | S15-L19 PolarHBondContact O-N 3.29Å; L19-Q21 VanDerWaalsContact C-N 3.27Å; L19-Q21 PolarHBondContact O-N 3.36Å |
| 20 | V | 30.9 | Very low | 46.2 | Very low | 124 Ų | 124 | 112.5 Ų | 112.5 | 75% | 0.752 | 63% | 0.629 | S | S | * | * | trans | -47.6 | 87.6 | 166.4 | 177.6 | 0 | 0 | 0 | 0 | 109.7 | G22 | V20-G22 VanDerWaalsContact C-N 3.33Å; V20-G22 PolarHBondContact O-N 3.4Å | ||
| 21 | Q | 31.1 | Very low | 47.1 | Very low | 191 Ų | 191 | 109.3 Ų | 109.3 | 89% | 0.893 | 61% | 0.609 | S | S | * | * | trans | -67.2 | 96.5 | 149.4 | -69.8 | -169.7 | -29.1 | 0 | 0 | 104.6 | L19 A23 | L19-Q21 VanDerWaalsContact C-N 3.27Å; L19-Q21 PolarHBondContact O-N 3.36Å; Q21-A23 VanDerWaalsContact C-N 3.32Å | ||
| 22 | G | 27.3 | Very low | 48.5 | Very low | 75 Ų | 75 | 102.4 Ų | 102.4 | 77% | 0.773 | 58% | 0.582 | S | S | * | * | cis | 77.1 | 23.6 | 45.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | V20 | V20-G22 VanDerWaalsContact C-N 3.33Å; V20-G22 PolarHBondContact O-N 3.4Å | ||
| 23 | A | 26.4 | Very low | 50 | Low | 88 Ų | 88 | 99.7 Ų | 99.7 | 73% | 0.727 | 57% | 0.568 | S | S | * | * | trans | -132.6 | 56.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q21 | Q21-A23 VanDerWaalsContact C-N 3.32Š| ||
| 24 | H | 25.6 | Very low | 51.7 | Low | 186 Ų | 186 | 95 Ų | 95 | 86% | 0.861 | 54% | 0.543 | S | S | * | . | trans | -102.1 | 121.9 | 152.3 | -84.4 | -21.4 | 0 | 0 | 0 | 107 | G26 | H24-G26 PolarHBondContact O-N 3.45Š| ||
| 25 | S | 27 | Very low | 53.8 | Low | 127 Ų | 127 | 90.8 Ų | 90.8 | 89% | 0.888 | 52% | 0.522 | S | S | * | . | trans | -56.1 | 82.9 | 168.8 | 53.9 | 0 | 0 | 0 | 0 | 109.1 | S27 | S25-S27 PolarHBondContact O-N 3.06Š| ||
| 26 | G | 29.7 | Very low | 56 | Low | 67 Ų | 67 | 88.2 Ų | 88.2 | 69% | 0.691 | 50% | 0.504 | S | S | * | . | trans | -67.6 | 118 | 178 | 0 | 0 | 0 | 0 | 0 | 108.7 | H24 | H24-G26 PolarHBondContact O-N 3.45Š| ||
| 27 | S | 43.5 | Very low | 58.5 | Low | 80 Ų | 80 | 86 Ų | 86 | 56% | 0.559 | 49% | 0.49 | S | S | * | . | trans | -41.1 | 135 | 169.7 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | S25 R29 | S25-S27 PolarHBondContact O-N 3.06Å; S27-R29 PolarHBondContact O-N 3.41Å | ||
| 28 | P | 57 | Low | 60.9 | Low | 45 Ų | 45 | 77.6 Ų | 77.6 | 29% | 0.292 | 45% | 0.454 | S | S | . | . | trans | -53.3 | 126.3 | 175.3 | -20 | 29.2 | 0 | 0 | 0 | 109.5 | E30 W143 P146 | P28-E30 VanDerWaalsContact C-N 3.27Å; P28-E30 PolarHBondContact O-N 3.01Å; P28-W143 HydrophobicContact CB-CE3 4.48Å; P28-P146 HydrophobicContact CG-CB 3.79Å | ||
| 29 | R | 73.3 | Confident | 63.6 | Low | 204 Ų | 204 | 77.1 Ų | 77.1 | 77% | 0.77 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -78.6 | -10.2 | -176.7 | -83.7 | -177.4 | 170.6 | 173.9 | -2.8 | 113.4 | S27 L222 | S27-R29 PolarHBondContact O-N 3.41Å; R29-L222 VanDerWaalsContact O-CD2 3.32Å; R29-L222 WeakPolarHBondContact O-CD2 3.48Å |
| 30 | E | 85.1 | Confident | 66.4 | Low | 35 Ų | 35 | 70.4 Ų | 70.4 | 16% | 0.164 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -136.9 | 158.2 | -174.6 | -42.3 | 84.9 | -159.6 | 0 | 0 | 111.6 | P28 R33 Y93 | P28-E30 VanDerWaalsContact C-N 3.27Å; P28-E30 PolarHBondContact O-N 3.01Å; E30-R33 VanDerWaalsContact CD-NH2 3.26Å; E30-R33 IonicContact OE1-NH2 3.44Å; E30-R33 PolarHBondContact OE1-NH2 3.43Å; E30-R33 IonicContact OE2-CZ 3.73Å; E30-R33 IonicContact OE2-NE 3.46Å; E30-R33 PolarHBondContact OE2-NE 2.72Å; E30-R33 IonicContact OE2-NH2 3.14Å; E30-R33 PolarHBondContact OE2-NH2 3.03Å; E30-Y93 HydrophobicContact CG-CD1 3.97Å |
| 31 | D | 86.5 | Confident | 69.3 | Low | 8 Ų | 8 | 67.6 Ų | 67.6 | 4% | 0.043 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -75.9 | -32.2 | -179.9 | -63.9 | -104.3 | 0 | 0 | 0 | 111.6 | W94 S95 R96 S142 W143 | D31-W94 HydrophobicContact CB-CD2 4.39Å; D31-W94 HydrophobicContact CB-CE3 4.02Å; D31-W94 HydrophobicContact CB-CH2 4.41Å; D31-W94 HydrophobicContact CB-CZ3 4.02Å; D31-W94 PolarHBondContact N-O 3.39Å; D31-S95 WeakPolarHBondContact OD2-CA 3.43Å; D31-S95 PolarHBondContact OD2-OG 2.99Å; D31-R96 PolarHBondContact OD2-N 3.44Å; D31-S142 CarbonylContact O-C 3.54Å; D31-S142 VanDerWaalsContact O-CA 3.27Å; D31-S142 WeakPolarHBondContact O-CA 3.49Å; D31-W143 PolarHBondContact O-N 3.2Å |
| 32 | F | 92.1 | Very high | 72.1 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 0% | 0.004 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 140.6 | 176.2 | 172.8 | -88.5 | 0 | 0 | 0 | 111.3 | F34 I56 L92 Y93 W94 F122 V140 F159 F161 | F32-F34 HydrophobicContact CE1-CB 3.63Å; F32-F34 HydrophobicContact CZ-CB 3.67Å; F32-I56 HydrophobicContact CD1-CD1 3.99Å; F32-I56 HydrophobicContact CE1-CD1 4Å; F32-I56 HydrophobicContact CG-CD1 4.5Å; F32-L92 HydrophobicContact CE1-CD2 4.4Å; F32-Y93 WeakPolarHBondContact O-CA 3.34Å; F32-W94 HydrophobicContact CB-CB 4.17Å; F32-W94 HydrophobicContact CB-CE3 3.7Å; F32-W94 HydrophobicContact CD1-CB 4.5Å; F32-W94 PolarHBondContact N-O 3.49Å; F32-W94 PolarHBondContact O-N 2.89Å; F32-F122 HydrophobicContact CD2-CD2 4.23Å; F32-F122 HydrophobicContact CE2-CD2 4.09Å; F32-F122 HydrophobicContact CE2-CE2 4.21Å; F32-V140 HydrophobicContact CD2-CG2 4.34Å; F32-V140 HydrophobicContact CE2-CG2 3.63Å; F32-V140 HydrophobicContact CZ-CG2 4.07Å; F32-F159 HydrophobicContact CE2-CB 4.14Å; F32-F159 HydrophobicContact CE2-CD1 4.18Å; F32-F159 HydrophobicContact CE2-CD2 4.26Å; F32-F159 AromaticContact CE2-CG 3.92Å; F32-F159 HydrophobicContact CE2-CG 3.92Å; F32-F159 HydrophobicContact CZ-CB 4.21Å; F32-F159 HydrophobicContact CZ-CD1 4.29Å; F32-F159 AromaticContact CZ-CD2 3.63Å; F32-F159 HydrophobicContact CZ-CD2 3.63Å; F32-F159 HydrophobicContact CZ-CE2 4Å; F32-F159 AromaticContact CZ-CG 3.77Å; F32-F159 HydrophobicContact CZ-CG 3.77Å; F32-F159 HydrophobicContact CZ-CZ 4.48Å; F32-F161 HydrophobicContact CD2-CE1 4.34Å; F32-F161 AromaticContact CD2-CZ 3.97Å; F32-F161 HydrophobicContact CD2-CZ 3.97Å; F32-F161 HydrophobicContact CE2-CZ 4.23Å; F32-F161 HydrophobicContact CG-CZ 4.36Å |
| 33 | R | 94.2 | Very high | 75.2 | Confident | 85 Ų | 85 | 63.3 Ų | 63.3 | 32% | 0.321 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 118.8 | 177.9 | 178.9 | -167.6 | -63.1 | -165 | -5.1 | 109.6 | E30 L92 Y93 V140 S141 | E30-R33 VanDerWaalsContact CD-NH2 3.26Å; E30-R33 IonicContact OE1-NH2 3.44Å; E30-R33 PolarHBondContact OE1-NH2 3.43Å; E30-R33 IonicContact OE2-CZ 3.73Å; E30-R33 IonicContact OE2-NE 3.46Å; E30-R33 PolarHBondContact OE2-NE 2.72Å; E30-R33 IonicContact OE2-NH2 3.14Å; E30-R33 PolarHBondContact OE2-NH2 3.03Å; R33-L92 CarbonylContact C-O 3.52Å; R33-L92 WeakPolarHBondContact CA-O 3.38Å; R33-Y93 HydrophobicContact CB-CD1 4.26Å; R33-Y93 HydrophobicContact CB-CE1 4.49Å; R33-Y93 HydrophobicContact CG-CD1 3.88Å; R33-Y93 HydrophobicContact CG-CE1 3.68Å; R33-V140 CarbonylContact O-C 3.43Å; R33-V140 WeakPolarHBondContact O-CA 3.32Å; R33-S141 PolarHBondContact N-O 3.38Å; R33-S141 PolarHBondContact O-N 3.26Å |
| 34 | F | 95.3 | Very high | 78.4 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 116.5 | 172.4 | 170 | -113.4 | 0 | 0 | 0 | 110 | F32 V58 F90 C91 L92 L135 T138 S139 V140 L151 F157 F159 | F32-F34 HydrophobicContact CE1-CB 3.63Å; F32-F34 HydrophobicContact CZ-CB 3.67Å; F34-V58 HydrophobicContact CD1-CG2 4.17Å; F34-V58 HydrophobicContact CE1-CB 4.27Å; F34-V58 HydrophobicContact CE1-CG1 4.1Å; F34-V58 HydrophobicContact CE1-CG2 4.17Å; F34-F90 HydrophobicContact CD1-CE2 4Å; F34-F90 AromaticContact CE1-CE2 3.72Å; F34-F90 HydrophobicContact CE1-CE2 3.72Å; F34-F90 AromaticContact CE1-CZ 3.94Å; F34-F90 HydrophobicContact CE1-CZ 3.94Å; F34-F90 HydrophobicContact CZ-CZ 4.41Å; F34-C91 CarbonylContact O-C 3.53Å; F34-C91 VanDerWaalsContact O-CA 3.31Å; F34-C91 WeakPolarHBondContact O-CA 3.48Å; F34-L92 HydrophobicContact CB-CB 4.39Å; F34-L92 PolarHBondContact N-O 3.49Å; F34-L92 PolarHBondContact O-N 3.49Å; F34-L135 HydrophobicContact CE1-CD1 4.44Å; F34-L135 HydrophobicContact CZ-CD1 4.43Å; F34-T138 HydrophobicContact CE2-CG2 4.02Å; F34-T138 HydrophobicContact CZ-CG2 3.81Å; F34-S139 CarbonylContact C-O 3.49Å; F34-S139 WeakPolarHBondContact CA-O 3.43Å; F34-S139 WeakPolarHBondContact CD2-O 3.49Å; F34-V140 HydrophobicContact CD2-CB 4.38Å; F34-L151 HydrophobicContact CD2-CD1 4.48Å; F34-L151 HydrophobicContact CE2-CD1 4.2Å; F34-F157 HydrophobicContact CE1-CD2 4.5Å; F34-F157 HydrophobicContact CE2-CD1 4.27Å; F34-F157 HydrophobicContact CE2-CD2 4.45Å; F34-F157 HydrophobicContact CE2-CE1 4.49Å; F34-F157 HydrophobicContact CE2-CG 4.26Å; F34-F157 HydrophobicContact CZ-CB 4.49Å; F34-F157 HydrophobicContact CZ-CD1 4.33Å; F34-F157 AromaticContact CZ-CD2 3.73Å; F34-F157 HydrophobicContact CZ-CD2 3.73Å; F34-F157 HydrophobicContact CZ-CE2 4.02Å; F34-F157 AromaticContact CZ-CG 3.92Å; F34-F157 HydrophobicContact CZ-CG 3.92Å; F34-F157 HydrophobicContact CZ-CZ 4.44Å; F34-F159 HydrophobicContact CB-CE2 4.25Å; F34-F159 HydrophobicContact CB-CZ 4.46Å; F34-F159 HydrophobicContact CD1-CE2 4.12Å; F34-F159 AromaticContact CD2-CE2 3.78Å; F34-F159 HydrophobicContact CD2-CE2 3.78Å; F34-F159 AromaticContact CD2-CZ 3.43Å; F34-F159 HydrophobicContact CD2-CZ 3.43Å; F34-F159 VanDerWaalsContact CD2-CZ 3.43Å; F34-F159 HydrophobicContact CE1-CE2 4.42Å; F34-F159 HydrophobicContact CE2-CE2 4.1Å; F34-F159 AromaticContact CE2-CZ 3.68Å; F34-F159 HydrophobicContact CE2-CZ 3.68Å; F34-F159 AromaticContact CG-CE2 3.78Å; F34-F159 HydrophobicContact CG-CE2 3.78Å; F34-F159 AromaticContact CG-CZ 3.91Å; F34-F159 HydrophobicContact CG-CZ 3.91Å; F34-F159 HydrophobicContact CZ-CE2 4.4Å; F34-F159 HydrophobicContact CZ-CZ 4.35Å |
| 35 | C | 96.1 | Very high | 81.7 | Confident | 13 Ų | 13 | 52.2 Ų | 52.2 | 9% | 0.088 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 156.3 | -176.9 | -64.6 | 0 | 0 | 0 | 0 | 111.6 | F90 C91 T138 S139 | C35-F90 CarbonylContact C-O 3.58Å; C35-F90 VanDerWaalsContact CA-O 3.23Å; C35-F90 WeakPolarHBondContact CA-O 3.44Å; C35-C91 HydrophobicContact CB-CB 4.15Å; C35-C91 WeakPolarHBondContact CB-SG 3.33Å; C35-C91 WeakPolarHBondContact SG-CB 3.34Å; C35-C91 CovalentContact SG-SG 2.04Å; C35-C91 PolarHBondContact SG-SG 3.31Å; C35-T138 CarbonylContact O-C 3.47Å; C35-T138 VanDerWaalsContact O-CA 3.26Å; C35-T138 WeakPolarHBondContact O-CA 3.47Å; C35-S139 PolarHBondContact N-O 3.42Å; C35-S139 PolarHBondContact O-N 3.3Å |
| 36 | G | 95.8 | Very high | 84.9 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175 | -167.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | H89 F90 I136 | G36-H89 WeakPolarHBondContact O-CA 3.5Å; G36-H89 PolarHBondContact O-ND1 3.08Å; G36-F90 PolarHBondContact N-O 3.31Å; G36-F90 WeakPolarHBondContact O-CD1 3.29Å; G36-F90 PolarHBondContact O-N 2.93Å; G36-I136 CarbonylContact C-O 3.55Å |
| 37 | Q | 96.1 | Very high | 88 | Confident | 61 Ų | 61 | 47.4 Ų | 47.4 | 29% | 0.285 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 136.4 | 173.7 | -68 | 177.8 | -9.6 | 0 | 0 | 109.4 | L87 Y88 I136 A137 | Q37-L87 HydrophobicContact CB-CD1 4.33Å; Q37-L87 HydrophobicContact CB-CG 4.3Å; Q37-Y88 CarbonylContact C-O 3.57Å; Q37-Y88 VanDerWaalsContact CA-O 3.3Å; Q37-Y88 WeakPolarHBondContact CA-O 3.36Å; Q37-I136 HydrophobicContact CB-CB 4.25Å; Q37-I136 PolarHBondContact N-O 3.22Å; Q37-I136 PolarHBondContact O-N 2.95Å; Q37-A137 HydrophobicContact CG-CB 4.36Å |
| 38 | R | 95.4 | Very high | 90.5 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 125 | 176.6 | -178.1 | 174.6 | -175 | -94.7 | -9.3 | 108.8 | S44 N60 T61 E62 Y88 F90 Y105 L135 | R38-S44 VanDerWaalsContact NH1-CB 3.3Å; R38-S44 PolarHBondContact NH1-OG 3.33Å; R38-S44 PolarHBondContact NH2-OG 3.31Å; R38-N60 WeakPolarHBondContact CD-OD1 3.07Å; R38-N60 PolarHBondContact NE-OD1 3.28Å; R38-N60 PolarHBondContact NH2-OD1 3.42Å; R38-T61 PolarHBondContact NH2-O 2.83Å; R38-E62 PolarHBondContact NH2-O 2.7Å; R38-Y88 PolarHBondContact N-O 3.34Å; R38-Y88 PolarHBondContact O-N 3.4Å; R38-F90 HydrophobicContact CB-CD1 4.11Å; R38-F90 HydrophobicContact CB-CE1 4.29Å; R38-Y105 HydrophobicContact CB-CE2 3.96Å; R38-Y105 WeakPolarHBondContact CD-OH 3.14Å; R38-Y105 HydrophobicContact CG-CE2 4.38Å; R38-L135 HydrophobicContact CB-CD2 4.02Å; R38-L135 HydrophobicContact CG-CD2 4.15Å |
| 39 | N | 94 | Very high | 92.3 | Very high | 85 Ų | 85 | 44.3 Ų | 44.3 | 46% | 0.455 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 108.3 | 173.8 | -169.6 | 15.6 | 0 | 0 | 0 | 109.5 | T41 L87 I136 | N39-T41 PolarHBondContact O-N 3.25Å; N39-L87 HydrophobicContact CB-CD1 3.88Å; N39-I136 HydrophobicContact CB-CD1 4.41Å |
| 40 | Q | 92.6 | Very high | 93.3 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.009 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 100.5 | -178.5 | -174.5 | 174.5 | -44.3 | 0 | 0 | 110 | Q42 P82 R85 G86 Y88 Y105 | Q40-Q42 WeakPolarHBondContact CG-O 3.45Å; Q40-P82 PolarHBondContact NE2-O 3.34Å; Q40-R85 WeakPolarHBondContact O-CA 3.44Å; Q40-R85 WeakPolarHBondContact O-CB 3.47Å; Q40-G86 PolarHBondContact N-O 2.86Å; Q40-G86 PolarHBondContact O-N 3.33Å; Q40-Y88 HydrophobicContact CB-CD2 4.03Å; Q40-Y88 HydrophobicContact CB-CE2 4.18Å; Q40-Y105 PolarHBondContact OE1-OH 3.23Å |
| 41 | T | 90.8 | Very high | 93.5 | Very high | 65 Ų | 65 | 38.7 Ų | 38.7 | 40% | 0.399 | 19% | 0.191 | S | C | . | . | trans | -84.5 | -24.6 | -178.7 | 54.4 | 0 | 0 | 0 | 0 | 113.2 | N39 R85 | N39-T41 PolarHBondContact O-N 3.25Å; T41-R85 VanDerWaalsContact O-CD 3.29Å; T41-R85 WeakPolarHBondContact O-CD 3.28Å | ||
| 42 | Q | 91.2 | Very high | 93.6 | Very high | 64 Ų | 64 | 44.7 Ų | 44.7 | 30% | 0.299 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -142.7 | 174.4 | -179.4 | 61.3 | -177 | 58.6 | 0 | 0 | 111.5 | Q40 S44 | Q40-Q42 WeakPolarHBondContact CG-O 3.45Å; Q42-S44 PolarHBondContact O-N 3.06Å |
| 43 | Q | 91.6 | Very high | 93.4 | Very high | 113 Ų | 113 | 50.5 Ų | 50.5 | 53% | 0.528 | 26% | 0.261 | S | S | . | . | trans | -60 | 130.5 | 170.7 | -172.5 | 178.3 | 18.4 | 0 | 0 | 108.8 | F80 | Q43-F80 HydrophobicContact CG-CD1 4.48Š| ||
| 44 | S | 92.7 | Very high | 93 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -135.2 | 154.5 | -168.2 | -177.6 | 0 | 0 | 0 | 0 | 112.7 | R38 Q42 E63 F81 | R38-S44 VanDerWaalsContact NH1-CB 3.3Å; R38-S44 PolarHBondContact NH1-OG 3.33Å; R38-S44 PolarHBondContact NH2-OG 3.31Å; Q42-S44 PolarHBondContact O-N 3.06Å; S44-E63 CarbonylContact C-O 3.44Å; S44-E63 WeakPolarHBondContact CA-O 3.48Å; S44-E63 WeakPolarHBondContact CB-O 3.18Å; S44-E63 VanDerWaalsContact OG-C 3.26Å; S44-E63 PolarHBondContact OG-O 3.25Å; S44-F81 PolarHBondContact O-N 3Å | ||
| 45 | T | 94.8 | Very high | 92.8 | Very high | 40 Ų | 40 | 50.4 Ų | 50.4 | 25% | 0.245 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 154.3 | -174.9 | 60.9 | 0 | 0 | 0 | 0 | 112.7 | E63 T64 L65 R79 F80 F81 | T45-E63 PolarHBondContact N-O 2.95Å; T45-T64 WeakPolarHBondContact O-CA 3.4Å; T45-T64 WeakPolarHBondContact OG1-CG2 3.47Å; T45-T64 PolarHBondContact OG1-OG1 2.96Å; T45-L65 PolarHBondContact O-N 3.37Å; T45-R79 CarbonylContact C-O 3.45Å; T45-R79 WeakPolarHBondContact CA-O 3.45Å; T45-R79 WeakPolarHBondContact CB-O 3.42Å; T45-F80 HydrophobicContact CG2-CD1 3.7Å; T45-F80 HydrophobicContact CG2-CE1 3.71Å; T45-F80 HydrophobicContact CG2-CG 4.49Å; T45-F81 VanDerWaalsContact O-CE2 3.31Å; T45-F81 WeakPolarHBondContact O-CE2 3.27Å |
| 46 | L | 95.6 | Very high | 92.7 | Very high | 9 Ų | 9 | 49.8 Ų | 49.8 | 5% | 0.047 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 126.5 | 170.1 | 173.6 | 62.3 | 0 | 0 | 0 | 108.4 | I67 I77 R79 F81 L103 Y110 L112 | L46-I67 HydrophobicContact CD1-CD1 4.26Å; L46-I77 HydrophobicContact CD2-CG2 4.16Å; L46-I77 HydrophobicContact CG-CG2 4.49Å; L46-R79 PolarHBondContact N-O 3.34Å; L46-F81 HydrophobicContact CB-CE1 4.12Å; L46-F81 HydrophobicContact CB-CE2 3.96Å; L46-F81 HydrophobicContact CB-CZ 3.7Å; L46-F81 HydrophobicContact CD1-CZ 3.92Å; L46-F81 HydrophobicContact CG-CZ 4.27Å; L46-L103 HydrophobicContact CD1-CD2 3.74Å; L46-L103 HydrophobicContact CD2-CD2 4.31Å; L46-Y110 HydrophobicContact CD2-CD1 3.51Å; L46-Y110 HydrophobicContact CD2-CE1 4.28Å; L46-Y110 HydrophobicContact CD2-CG 3.69Å; L46-L112 HydrophobicContact CD1-CD2 4.45Å; L46-L112 HydrophobicContact CD2-CD2 3.95Å |
| 47 | H | 95.3 | Very high | 92.7 | Very high | 85 Ų | 85 | 50.4 Ų | 50.4 | 39% | 0.394 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 130.5 | 176.8 | -170.9 | 54.9 | 0 | 0 | 0 | 110.3 | D49 T64 L65 T66 I67 | H47-D49 IonicContact CD2-OD2 3.54Å; H47-D49 IonicContact CE1-OD1 3.81Å; H47-D49 PolarHBondContact CE1-OD1 3.31Å; H47-D49 IonicContact NE2-OD1 2.65Å; H47-D49 PolarHBondContact NE2-OD1 2.97Å; H47-D49 IonicContact NE2-OD2 2.92Å; H47-D49 PolarHBondContact NE2-OD2 3.39Å; H47-T64 HydrophobicContact CB-CG2 3.71Å; H47-L65 PolarHBondContact N-O 2.74Å; H47-T66 CarbonylContact O-C 3.55Å; H47-T66 WeakPolarHBondContact O-CA 3.46Å; H47-I67 PolarHBondContact O-N 3.36Å |
| 48 | Y | 96.1 | Very high | 92.7 | Very high | 15 Ų | 15 | 47.6 Ų | 47.6 | 6% | 0.059 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 128.4 | 178.1 | 177.3 | -92.7 | 0 | 0 | 0 | 110.9 | I67 A69 F71 A73 I77 L101 L112 | Y48-I67 VanDerWaalsContact CA-O 3.24Å; Y48-I67 WeakPolarHBondContact CA-O 3.3Å; Y48-I67 HydrophobicContact CD2-CB 4.2Å; Y48-I67 HydrophobicContact CD2-CG2 4.05Å; Y48-I67 WeakPolarHBondContact CD2-O 3.4Å; Y48-I67 HydrophobicContact CE2-CG2 4.32Å; Y48-A69 HydrophobicContact CE2-CB 3.97Å; Y48-F71 PolarHBondContact OH-O 3.21Å; Y48-A73 HydrophobicContact CD1-CB 3.61Å; Y48-A73 VanDerWaalsContact CE1-CA 3.49Å; Y48-A73 HydrophobicContact CE1-CB 3.65Å; Y48-I77 HydrophobicContact CD1-CD1 3.67Å; Y48-I77 HydrophobicContact CG-CD1 3.96Å; Y48-L101 HydrophobicContact CE2-CD2 3.58Å; Y48-L112 HydrophobicContact CD2-CB 3.8Å; Y48-L112 HydrophobicContact CD2-CD1 3.95Å; Y48-L112 HydrophobicContact CD2-CD2 4.42Å; Y48-L112 HydrophobicContact CD2-CG 4.28Å; Y48-L112 HydrophobicContact CE2-CB 3.94Å; Y48-L112 HydrophobicContact CE2-CD1 4.33Å; Y48-L112 HydrophobicContact CG-CB 4.17Å |
| 49 | D | 93.9 | Very high | 92.7 | Very high | 45 Ų | 45 | 51 Ų | 51 | 24% | 0.241 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 148 | 173.2 | -57.7 | -48.8 | 0 | 0 | 0 | 111.3 | H47 I67 R68 A69 | H47-D49 IonicContact CD2-OD2 3.54Å; H47-D49 IonicContact CE1-OD1 3.81Å; H47-D49 PolarHBondContact CE1-OD1 3.31Å; H47-D49 IonicContact NE2-OD1 2.65Å; H47-D49 PolarHBondContact NE2-OD1 2.97Å; H47-D49 IonicContact NE2-OD2 2.92Å; H47-D49 PolarHBondContact NE2-OD2 3.39Å; D49-I67 PolarHBondContact N-O 3.44Å; D49-I67 VanDerWaalsContact N-O 3.11Å; D49-R68 HydrophobicContact CB-CG 3.98Å; D49-R68 VanDerWaalsContact O-CA 3.24Å; D49-R68 WeakPolarHBondContact O-CA 3.44Å; D49-R68 IonicContact OD2-CZ 2.76Å; D49-R68 IonicContact OD2-NE 3.6Å; D49-R68 PolarHBondContact OD2-NE 3.2Å; D49-R68 IonicContact OD2-NH2 3.03Å; D49-R68 PolarHBondContact OD2-NH2 3.3Å; D49-R68 VanDerWaalsContact OD2-NH2 3.14Å; D49-A69 PolarHBondContact O-N 2.99Å |
| 50 | Q | 93.7 | Very high | 92.9 | Very high | 107 Ų | 107 | 47 Ų | 47 | 50% | 0.5 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 126.3 | 166.1 | -174.7 | 176.5 | 8.6 | 0 | 0 | 110 | A69 | Q50-A69 CarbonylContact C-O 3.57Å; Q50-A69 WeakPolarHBondContact CA-O 3.32Å |
| 51 | S | 90.5 | Very high | 93 | Very high | 14 Ų | 14 | 48.6 Ų | 48.6 | 10% | 0.098 | 26% | 0.256 | C | S | . | . | trans | -90.3 | 141.2 | 174.6 | 62 | 0 | 0 | 0 | 0 | 112.3 | E53 H55 A69 | S51-E53 VanDerWaalsContact C-N 3.29Å; S51-E53 PolarHBondContact OG-O 3.37Å; S51-H55 VanDerWaalsContact CB-CE1 3.49Å; S51-H55 WeakPolarHBondContact CB-CE1 3.43Å; S51-H55 PolarHBondContact OG-ND1 3.42Å; S51-H55 PolarHBondContact OG-O 2.93Å; S51-A69 PolarHBondContact N-O 3.43Å; S51-A69 PolarHBondContact OG-O 3.23Å | ||
| 52 | S | 88.9 | Confident | 93 | Very high | 133 Ų | 133 | 50.7 Ų | 50.7 | 93% | 0.93 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -69.4 | -30.2 | 170.1 | -50.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 53 | E | 86.2 | Confident | 93.1 | Very high | 123 Ų | 123 | 53.5 Ų | 53.5 | 58% | 0.575 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -87.4 | 147.6 | 178.4 | -65.6 | -177.7 | 179.8 | 0 | 0 | 111.7 | S51 H55 | S51-E53 VanDerWaalsContact C-N 3.29Å; S51-E53 PolarHBondContact OG-O 3.37Å; E53-H55 PolarHBondContact O-N 3.48Å; E53-H55 PolarHBondContact O-ND1 3.41Å; E53-H55 IonicContact OE2-CD2 2.91Å; E53-H55 IonicContact OE2-NE2 3.16Å |
| 54 | P | 87.1 | Confident | 93.3 | Very high | 55 Ų | 55 | 49.5 Ų | 49.5 | 36% | 0.357 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -79.4 | 56.4 | -180 | 35.6 | -36.9 | 0 | 0 | 0 | 111.7 | L120 F161 | P54-L120 HydrophobicContact CB-CD2 4.24Å; P54-F161 WeakPolarHBondContact O-CB 3.27Å; P54-F161 WeakPolarHBondContact O-CD2 3.41Å; P54-F161 PolarHBondContact O-N 2.93Å |
| 55 | H | 90.9 | Very high | 93.4 | Very high | 28 Ų | 28 | 49.5 Ų | 49.5 | 13% | 0.13 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 152.1 | 178.9 | 66.4 | 2.6 | 0 | 0 | 0 | 111.2 | S51 E53 P70 I158 F159 | S51-H55 VanDerWaalsContact CB-CE1 3.49Å; S51-H55 WeakPolarHBondContact CB-CE1 3.43Å; S51-H55 PolarHBondContact OG-ND1 3.42Å; S51-H55 PolarHBondContact OG-O 2.93Å; E53-H55 PolarHBondContact O-N 3.48Å; E53-H55 PolarHBondContact O-ND1 3.41Å; E53-H55 IonicContact OE2-CD2 2.91Å; E53-H55 IonicContact OE2-NE2 3.16Å; H55-P70 WeakPolarHBondContact O-CD 3.46Å; H55-I158 HydrophobicContact CB-CG2 4.25Å; H55-F159 CarbonylContact C-O 3.55Å; H55-F159 VanDerWaalsContact CA-O 3.22Å; H55-F159 WeakPolarHBondContact CA-O 3.21Å; H55-F159 WeakPolarHBondContact CB-O 3.41Å |
| 56 | I | 93.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 115 | 163.8 | -66.5 | 173.7 | 0 | 0 | 0 | 107.4 | F32 V58 R68 A69 L92 F159 F161 | F32-I56 HydrophobicContact CD1-CD1 3.99Å; F32-I56 HydrophobicContact CE1-CD1 4Å; F32-I56 HydrophobicContact CG-CD1 4.5Å; I56-V58 HydrophobicContact CG2-CG2 4.25Å; I56-R68 CarbonylContact C-O 3.56Å; I56-R68 WeakPolarHBondContact CA-O 3.27Å; I56-A69 HydrophobicContact CG1-CB 4.04Å; I56-L92 HydrophobicContact CG2-CD2 3.71Å; I56-F159 HydrophobicContact CB-CB 4.22Å; I56-F159 HydrophobicContact CG2-CD2 4.37Å; I56-F159 PolarHBondContact N-O 2.99Å; I56-F159 PolarHBondContact O-N 3.38Å; I56-F161 HydrophobicContact CB-CE2 3.91Å; I56-F161 HydrophobicContact CD1-CE2 3.7Å; I56-F161 HydrophobicContact CD1-CZ 3.63Å; I56-F161 HydrophobicContact CG1-CE2 3.54Å; I56-F161 HydrophobicContact CG1-CZ 4.03Å |
| 57 | F | 94.9 | Very high | 93.6 | Very high | 14 Ų | 14 | 47.9 Ų | 47.9 | 6% | 0.061 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 126.2 | 177.6 | 174.6 | -119 | 0 | 0 | 0 | 109.7 | W59 I67 R68 K130 F157 I158 | F57-W59 HydrophobicContact CD1-CB 4.47Å; F57-W59 HydrophobicContact CE1-CB 3.62Å; F57-W59 HydrophobicContact CE1-CE3 4.3Å; F57-W59 HydrophobicContact CE1-CG 4.36Å; F57-W59 HydrophobicContact CE2-CB 4.17Å; F57-W59 HydrophobicContact CZ-CB 3.47Å; F57-W59 VanDerWaalsContact CZ-CB 3.47Å; F57-W59 HydrophobicContact CZ-CD2 4.38Å; F57-W59 HydrophobicContact CZ-CE3 4.48Å; F57-W59 HydrophobicContact CZ-CG 4Å; F57-I67 CarbonylContact O-C 3.56Å; F57-I67 WeakPolarHBondContact O-CA 3.17Å; F57-R68 HydrophobicContact CB-CB 4.21Å; F57-R68 HydrophobicContact CD1-CB 4.43Å; F57-R68 HydrophobicContact CD1-CG 4.1Å; F57-R68 PolarHBondContact N-O 3.42Å; F57-R68 PolarHBondContact O-N 2.9Å; F57-K130 HydrophobicContact CE2-CG 4.48Å; F57-K130 HydrophobicContact CZ-CG 4.08Å; F57-F157 WeakPolarHBondContact CA-O 3.46Å; F57-F157 WeakPolarHBondContact CD2-O 3.41Å; F57-I158 HydrophobicContact CD2-CD1 4.35Å; F57-I158 HydrophobicContact CD2-CG1 3.49Å; F57-I158 VanDerWaalsContact CD2-CG1 3.49Å; F57-I158 HydrophobicContact CE2-CG1 4.01Å |
| 58 | V | 96.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 123.7 | 175.2 | -176.8 | 0 | 0 | 0 | 0 | 107.9 | F34 I56 L65 T66 I67 L92 L135 S156 F157 | F34-V58 HydrophobicContact CD1-CG2 4.17Å; F34-V58 HydrophobicContact CE1-CB 4.27Å; F34-V58 HydrophobicContact CE1-CG1 4.1Å; F34-V58 HydrophobicContact CE1-CG2 4.17Å; I56-V58 HydrophobicContact CG2-CG2 4.25Å; V58-L65 HydrophobicContact CG1-CD1 3.99Å; V58-T66 WeakPolarHBondContact CA-O 3.26Å; V58-I67 HydrophobicContact CG1-CG1 4.47Å; V58-L92 HydrophobicContact CG2-CD2 3.98Å; V58-L135 HydrophobicContact CG1-CD1 4.11Å; V58-S156 CarbonylContact O-C 3.23Å; V58-S156 WeakPolarHBondContact O-CA 3.39Å; V58-F157 PolarHBondContact N-O 3.2Å; V58-F157 PolarHBondContact O-N 3.08Å |
| 59 | W | 96.5 | Very high | 93.5 | Very high | 72 Ų | 72 | 47.7 Ų | 47.7 | 27% | 0.273 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 128.1 | 179.5 | 177.9 | 31.5 | 0 | 0 | 0 | 110.8 | F57 T61 T66 K130 Q131 | F57-W59 HydrophobicContact CD1-CB 4.47Å; F57-W59 HydrophobicContact CE1-CB 3.62Å; F57-W59 HydrophobicContact CE1-CE3 4.3Å; F57-W59 HydrophobicContact CE1-CG 4.36Å; F57-W59 HydrophobicContact CE2-CB 4.17Å; F57-W59 HydrophobicContact CZ-CB 3.47Å; F57-W59 VanDerWaalsContact CZ-CB 3.47Å; F57-W59 HydrophobicContact CZ-CD2 4.38Å; F57-W59 HydrophobicContact CZ-CE3 4.48Å; F57-W59 HydrophobicContact CZ-CG 4Å; W59-T61 HydrophobicContact CZ2-CG2 3.95Å; W59-T66 PolarHBondContact N-O 3.04Å; W59-T66 PolarHBondContact O-N 3.34Å; W59-K130 HydrophobicContact CG-CB 4.47Å; W59-Q131 PolarHBondContact NE1-O 3.1Å |
| 60 | N | 96.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 125.4 | -175.8 | -172.4 | 48.7 | 0 | 0 | 0 | 111.7 | R38 L65 G132 A133 L135 P155 | R38-N60 WeakPolarHBondContact CD-OD1 3.07Å; R38-N60 PolarHBondContact NE-OD1 3.28Å; R38-N60 PolarHBondContact NH2-OD1 3.42Å; N60-L65 HydrophobicContact CB-CD1 3.91Å; N60-G132 CarbonylContact O-C 3.57Å; N60-G132 WeakPolarHBondContact O-CA 3.39Å; N60-A133 WeakPolarHBondContact CB-O 3.43Å; N60-A133 PolarHBondContact ND2-O 2.68Å; N60-A133 PolarHBondContact O-N 3.08Å; N60-L135 HydrophobicContact CB-CD1 4.17Å; N60-L135 HydrophobicContact CB-CD2 3.74Å; N60-L135 HydrophobicContact CB-CG 3.8Å; N60-L135 WeakPolarHBondContact ND2-CD2 3.45Å; N60-P155 PolarHBondContact N-O 3.3Å |
| 61 | T | 94.9 | Very high | 93.4 | Very high | 36 Ų | 36 | 41.2 Ų | 41.2 | 22% | 0.221 | 21% | 0.213 | C | C | . | . | trans | -115.1 | 173.8 | 165.2 | 68.7 | 0 | 0 | 0 | 0 | 109.4 | R38 W59 E63 T64 | R38-T61 PolarHBondContact NH2-O 2.83Å; W59-T61 HydrophobicContact CZ2-CG2 3.95Å; T61-E63 VanDerWaalsContact C-N 3.26Å; T61-E63 PolarHBondContact O-N 3.44Å; T61-T64 PolarHBondContact N-O 3.39Å; T61-T64 PolarHBondContact OG1-N 3.47Å; T61-T64 PolarHBondContact OG1-O 3.2Å; T61-T64 VanDerWaalsContact OG1-O 3.1Å | ||
| 62 | E | 92 | Very high | 93.6 | Very high | 110 Ų | 110 | 44.8 Ų | 44.8 | 51% | 0.514 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -62.1 | -38.3 | 175.4 | -63.6 | -167.4 | 158.6 | 0 | 0 | 111.3 | R38 A133 | R38-E62 PolarHBondContact NH2-O 2.7Å; E62-A133 HydrophobicContact CG-CB 4.23Å |
| 63 | E | 93.2 | Very high | 93.8 | Very high | 123 Ų | 123 | 40.4 Ų | 40.4 | 58% | 0.575 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -85.3 | -34.4 | -176.7 | -33.8 | -157.9 | 139.4 | 0 | 0 | 113 | S44 T45 T61 | S44-E63 CarbonylContact C-O 3.44Å; S44-E63 WeakPolarHBondContact CA-O 3.48Å; S44-E63 WeakPolarHBondContact CB-O 3.18Å; S44-E63 VanDerWaalsContact OG-C 3.26Å; S44-E63 PolarHBondContact OG-O 3.25Å; T45-E63 PolarHBondContact N-O 2.95Å; T61-E63 VanDerWaalsContact C-N 3.26Å; T61-E63 PolarHBondContact O-N 3.44Å |
| 64 | T | 94.9 | Very high | 94.1 | Very high | 29 Ų | 29 | 35.1 Ų | 35.1 | 18% | 0.178 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 136.7 | -166.4 | -52.2 | 0 | 0 | 0 | 0 | 112.7 | T45 H47 T61 | T45-T64 WeakPolarHBondContact O-CA 3.4Å; T45-T64 WeakPolarHBondContact OG1-CG2 3.47Å; T45-T64 PolarHBondContact OG1-OG1 2.96Å; H47-T64 HydrophobicContact CB-CG2 3.71Å; T61-T64 PolarHBondContact N-O 3.39Å; T61-T64 PolarHBondContact OG1-N 3.47Å; T61-T64 PolarHBondContact OG1-O 3.2Å; T61-T64 VanDerWaalsContact OG1-O 3.1Å |
| 65 | L | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 112.9 | 162.3 | -176 | 65.8 | 0 | 0 | 0 | 108.8 | T45 H47 V58 N60 I67 F81 L103 | T45-L65 PolarHBondContact O-N 3.37Å; H47-L65 PolarHBondContact N-O 2.74Å; V58-L65 HydrophobicContact CG1-CD1 3.99Å; N60-L65 HydrophobicContact CB-CD1 3.91Å; L65-I67 HydrophobicContact CD2-CD1 4.46Å; L65-I67 HydrophobicContact CG-CG1 4.48Å; L65-F81 HydrophobicContact CB-CE2 3.7Å; L65-F81 HydrophobicContact CB-CZ 4.01Å; L65-F81 HydrophobicContact CD2-CE2 4.39Å; L65-F81 HydrophobicContact CD2-CZ 3.91Å; L65-L103 HydrophobicContact CD2-CD2 3.98Å |
| 66 | T | 96.1 | Very high | 94.1 | Very high | 12 Ų | 12 | 43.5 Ų | 43.5 | 7% | 0.074 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 126.4 | 179.3 | -58.5 | 0 | 0 | 0 | 0 | 110 | H47 V58 W59 R68 | H47-T66 CarbonylContact O-C 3.55Å; H47-T66 WeakPolarHBondContact O-CA 3.46Å; V58-T66 WeakPolarHBondContact CA-O 3.26Å; W59-T66 PolarHBondContact N-O 3.04Å; W59-T66 PolarHBondContact O-N 3.34Å; T66-R68 HydrophobicContact CG2-CG 4.23Å |
| 67 | I | 96.6 | Very high | 93.9 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 128.4 | 174.6 | -60.5 | 176 | 0 | 0 | 0 | 108.2 | L46 H47 Y48 D49 F57 V58 L65 L92 L103 L112 | L46-I67 HydrophobicContact CD1-CD1 4.26Å; H47-I67 PolarHBondContact O-N 3.36Å; Y48-I67 VanDerWaalsContact CA-O 3.24Å; Y48-I67 WeakPolarHBondContact CA-O 3.3Å; Y48-I67 HydrophobicContact CD2-CB 4.2Å; Y48-I67 HydrophobicContact CD2-CG2 4.05Å; Y48-I67 WeakPolarHBondContact CD2-O 3.4Å; Y48-I67 HydrophobicContact CE2-CG2 4.32Å; D49-I67 PolarHBondContact N-O 3.44Å; D49-I67 VanDerWaalsContact N-O 3.11Å; F57-I67 CarbonylContact O-C 3.56Å; F57-I67 WeakPolarHBondContact O-CA 3.17Å; V58-I67 HydrophobicContact CG1-CG1 4.47Å; L65-I67 HydrophobicContact CD2-CD1 4.46Å; L65-I67 HydrophobicContact CG-CG1 4.48Å; I67-L92 HydrophobicContact CD1-CD1 4.18Å; I67-L92 HydrophobicContact CG2-CD2 4.13Å; I67-L103 HydrophobicContact CD1-CB 4.39Å; I67-L103 HydrophobicContact CD1-CD1 4.14Å; I67-L103 HydrophobicContact CD1-CD2 3.85Å; I67-L103 HydrophobicContact CD1-CG 4.35Å; I67-L112 HydrophobicContact CB-CD1 4.31Å; I67-L112 HydrophobicContact CD1-CD1 3.82Å; I67-L112 HydrophobicContact CG2-CD1 3.93Å |
| 68 | R | 95.8 | Very high | 93.5 | Very high | 96 Ų | 96 | 47.4 Ų | 47.4 | 36% | 0.362 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 135 | 172.3 | -50.8 | -169.9 | 166.8 | 154.8 | -4.2 | 110.6 | D49 I56 F57 T66 | D49-R68 HydrophobicContact CB-CG 3.98Å; D49-R68 VanDerWaalsContact O-CA 3.24Å; D49-R68 WeakPolarHBondContact O-CA 3.44Å; D49-R68 IonicContact OD2-CZ 2.76Å; D49-R68 IonicContact OD2-NE 3.6Å; D49-R68 PolarHBondContact OD2-NE 3.2Å; D49-R68 IonicContact OD2-NH2 3.03Å; D49-R68 PolarHBondContact OD2-NH2 3.3Å; D49-R68 VanDerWaalsContact OD2-NH2 3.14Å; I56-R68 CarbonylContact C-O 3.56Å; I56-R68 WeakPolarHBondContact CA-O 3.27Å; F57-R68 HydrophobicContact CB-CB 4.21Å; F57-R68 HydrophobicContact CD1-CB 4.43Å; F57-R68 HydrophobicContact CD1-CG 4.1Å; F57-R68 PolarHBondContact N-O 3.42Å; F57-R68 PolarHBondContact O-N 2.9Å; T66-R68 HydrophobicContact CG2-CG 4.23Å |
| 69 | A | 94.6 | Very high | 93 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 159 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y48 D49 Q50 S51 I56 F71 L101 | Y48-A69 HydrophobicContact CE2-CB 3.97Å; D49-A69 PolarHBondContact O-N 2.99Å; Q50-A69 CarbonylContact C-O 3.57Å; Q50-A69 WeakPolarHBondContact CA-O 3.32Å; S51-A69 PolarHBondContact N-O 3.43Å; S51-A69 PolarHBondContact OG-O 3.23Å; I56-A69 HydrophobicContact CG1-CB 4.04Å; A69-F71 HydrophobicContact CB-CD2 3.78Å; A69-F71 HydrophobicContact CB-CE2 4.14Å; A69-F71 PolarHBondContact O-N 2.66Å; A69-L101 HydrophobicContact CB-CD2 3.68Å |
| 70 | P | 92.3 | Very high | 92.7 | Very high | 11 Ų | 11 | 59 Ų | 59 | 7% | 0.071 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -75.9 | 16.8 | -174.3 | 31.9 | -37.7 | 0 | 0 | 0 | 114.1 | H55 L120 | H55-P70 WeakPolarHBondContact O-CD 3.46Å; P70-L120 HydrophobicContact CG-CD1 3.63Å |
| 71 | F | 93.7 | Very high | 92.5 | Very high | 6 Ų | 6 | 59.3 Ų | 59.3 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -108.9 | 146.5 | -175.4 | -42.9 | -64.6 | 0 | 0 | 0 | 110.8 | Y48 A69 A73 W94 L101 S113 A116 R118 L120 | Y48-F71 PolarHBondContact OH-O 3.21Å; A69-F71 HydrophobicContact CB-CD2 3.78Å; A69-F71 HydrophobicContact CB-CE2 4.14Å; A69-F71 PolarHBondContact O-N 2.66Å; F71-A73 PolarHBondContact O-N 3.13Å; F71-W94 HydrophobicContact CE1-CZ2 4.42Å; F71-W94 AromaticContact CE1-NE1 3.95Å; F71-W94 AromaticContact CE2-CD1 3.86Å; F71-W94 HydrophobicContact CE2-CD2 4.42Å; F71-W94 HydrophobicContact CE2-CG 4.22Å; F71-W94 AromaticContact CE2-NE1 3.88Å; F71-W94 AromaticContact CZ-CD1 3.86Å; F71-W94 HydrophobicContact CZ-CD2 4.05Å; F71-W94 AromaticContact CZ-CE2 3.53Å; F71-W94 HydrophobicContact CZ-CG 4.27Å; F71-W94 AromaticContact CZ-CZ2 3.97Å; F71-W94 HydrophobicContact CZ-CZ2 3.97Å; F71-W94 AromaticContact CZ-NE1 3.38Å; F71-L101 HydrophobicContact CD2-CB 4.29Å; F71-L101 HydrophobicContact CD2-CD2 3.96Å; F71-L101 HydrophobicContact CE2-CD2 4.46Å; F71-S113 WeakPolarHBondContact CB-OG 3.43Å; F71-A116 HydrophobicContact CB-CB 4.03Å; F71-A116 HydrophobicContact CD1-CB 3.72Å; F71-A116 HydrophobicContact CD2-CB 3.77Å; F71-A116 HydrophobicContact CE1-CB 4.05Å; F71-A116 HydrophobicContact CE2-CB 4.1Å; F71-A116 HydrophobicContact CG-CB 3.56Å; F71-A116 HydrophobicContact CZ-CB 4.23Å; F71-R118 HydrophobicContact CE1-CB 4.2Å; F71-L120 HydrophobicContact CE1-CD1 3.94Å; F71-L120 HydrophobicContact CZ-CD1 3.91Å |
| 72 | L | 93.6 | Very high | 92.3 | Very high | 88 Ų | 88 | 58.8 Ų | 58.8 | 46% | 0.461 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 133.4 | 178.9 | -172.6 | 68.2 | 0 | 0 | 0 | 110.7 | S113 | L72-S113 WeakPolarHBondContact O-CB 3.38Å; L72-S113 PolarHBondContact O-OG 2.97Å |
| 73 | A | 93 | Very high | 91.9 | Very high | 41 Ų | 41 | 60.7 Ų | 60.7 | 34% | 0.339 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 137.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y48 F71 I77 | Y48-A73 HydrophobicContact CD1-CB 3.61Å; Y48-A73 VanDerWaalsContact CE1-CA 3.49Å; Y48-A73 HydrophobicContact CE1-CB 3.65Å; F71-A73 PolarHBondContact O-N 3.13Å; A73-I77 HydrophobicContact CB-CD1 4.23Å |
| 74 | A | 93 | Very high | 91.7 | Very high | 13 Ų | 13 | 58.9 Ų | 58.9 | 11% | 0.107 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 144.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | D76 I77 L112 | A74-D76 VanDerWaalsContact C-N 3.28Å; A74-D76 PolarHBondContact O-N 3.21Å; A74-I77 HydrophobicContact CB-CD1 4.41Å; A74-I77 HydrophobicContact CB-CG1 3.97Å; A74-I77 WeakPolarHBondContact O-CG1 3.38Å; A74-L112 PolarHBondContact N-O 3.4Å |
| 75 | P | 88.8 | Confident | 91.5 | Very high | 116 Ų | 116 | 66.7 Ų | 66.7 | 75% | 0.753 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -30.4 | -178.3 | 25.1 | -33.3 | 0 | 0 | 0 | 113 | ||
| 76 | D | 88.6 | Confident | 91.3 | Very high | 142 Ų | 142 | 68 Ų | 68 | 76% | 0.759 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.9 | 37.4 | -167.4 | -56.6 | -40.4 | 0 | 0 | 0 | 113.6 | A74 P78 | A74-D76 VanDerWaalsContact C-N 3.28Å; A74-D76 PolarHBondContact O-N 3.21Å; D76-P78 WeakPolarHBondContact O-CD 3.32Å |
| 77 | I | 89.8 | Confident | 91.2 | Very high | 33 Ų | 33 | 72.1 Ų | 72.1 | 17% | 0.169 | 37% | 0.367 | C | S | . | . | trans | -68.2 | 117.8 | -179.2 | -58.9 | 173 | 0 | 0 | 0 | 109.6 | L46 Y48 A73 A74 R79 L112 | L46-I77 HydrophobicContact CD2-CG2 4.16Å; L46-I77 HydrophobicContact CG-CG2 4.49Å; Y48-I77 HydrophobicContact CD1-CD1 3.67Å; Y48-I77 HydrophobicContact CG-CD1 3.96Å; A73-I77 HydrophobicContact CB-CD1 4.23Å; A74-I77 HydrophobicContact CB-CD1 4.41Å; A74-I77 HydrophobicContact CB-CG1 3.97Å; A74-I77 WeakPolarHBondContact O-CG1 3.38Å; I77-R79 PolarHBondContact O-N 3.41Å; I77-L112 WeakPolarHBondContact CD1-O 3.4Å; I77-L112 HydrophobicContact CG2-CD2 4.39Å | ||
| 78 | P | 87.2 | Confident | 91.2 | Very high | 64 Ų | 64 | 73.8 Ų | 73.8 | 42% | 0.416 | 37% | 0.374 | S | S | . | . | trans | -63.8 | 133.6 | 178.6 | -18.9 | 30.6 | 0 | 0 | 0 | 111.2 | D76 Y110 | D76-P78 WeakPolarHBondContact O-CD 3.32Å; P78-Y110 HydrophobicContact CB-CD1 3.95Å; P78-Y110 HydrophobicContact CB-CE1 3.85Å; P78-Y110 HydrophobicContact CG-CD1 3.84Å; P78-Y110 HydrophobicContact CG-CE1 4.14Å | ||
| 79 | R | 86.4 | Confident | 91.2 | Very high | 197 Ų | 197 | 74.1 Ų | 74.1 | 74% | 0.743 | 38% | 0.379 | S | S | * | . | trans | -81.1 | -30.1 | -173 | -65.7 | -175.3 | -178.5 | -178.1 | 0.3 | 114.4 | T45 L46 I77 | T45-R79 CarbonylContact C-O 3.45Å; T45-R79 WeakPolarHBondContact CA-O 3.45Å; T45-R79 WeakPolarHBondContact CB-O 3.42Å; L46-R79 PolarHBondContact N-O 3.34Å; I77-R79 PolarHBondContact O-N 3.41Å | ||
| 80 | F | 89.9 | Confident | 91.3 | Very high | 119 Ų | 119 | 74.2 Ų | 74.2 | 52% | 0.522 | 38% | 0.38 | S | S | . | . | B | Isolated β-bridge | trans | -110.5 | 139.8 | -173 | -66.1 | -83.9 | 0 | 0 | 0 | 112 | Q43 T45 | Q43-F80 HydrophobicContact CG-CD1 4.48Å; T45-F80 HydrophobicContact CG2-CD1 3.7Å; T45-F80 HydrophobicContact CG2-CE1 3.71Å; T45-F80 HydrophobicContact CG2-CG 4.49Å |
| 81 | F | 92.4 | Very high | 91.5 | Very high | 8 Ų | 8 | 74 Ų | 74 | 4% | 0.035 | 38% | 0.379 | C | S | . | . | trans | -76.3 | 166.4 | 165.7 | -76.5 | -57.7 | 0 | 0 | 0 | 111.3 | S44 T45 L46 L65 E83 L103 Y105 Y110 | S44-F81 PolarHBondContact O-N 3Å; T45-F81 VanDerWaalsContact O-CE2 3.31Å; T45-F81 WeakPolarHBondContact O-CE2 3.27Å; L46-F81 HydrophobicContact CB-CE1 4.12Å; L46-F81 HydrophobicContact CB-CE2 3.96Å; L46-F81 HydrophobicContact CB-CZ 3.7Å; L46-F81 HydrophobicContact CD1-CZ 3.92Å; L46-F81 HydrophobicContact CG-CZ 4.27Å; L65-F81 HydrophobicContact CB-CE2 3.7Å; L65-F81 HydrophobicContact CB-CZ 4.01Å; L65-F81 HydrophobicContact CD2-CE2 4.39Å; L65-F81 HydrophobicContact CD2-CZ 3.91Å; F81-E83 PolarHBondContact O-N 3.24Å; F81-L103 HydrophobicContact CE1-CD2 4.22Å; F81-L103 HydrophobicContact CZ-CD2 4.16Å; F81-Y105 HydrophobicContact CB-CE1 4.3Å; F81-Y105 AromaticContact CD1-CD1 3.45Å; F81-Y105 HydrophobicContact CD1-CD1 3.45Å; F81-Y105 VanDerWaalsContact CD1-CD1 3.45Å; F81-Y105 HydrophobicContact CD1-CD2 4.27Å; F81-Y105 AromaticContact CD1-CE1 3.66Å; F81-Y105 HydrophobicContact CD1-CE1 3.66Å; F81-Y105 HydrophobicContact CD1-CE2 4.48Å; F81-Y105 AromaticContact CD1-CG 3.78Å; F81-Y105 HydrophobicContact CD1-CG 3.78Å; F81-Y105 AromaticContact CE1-CD1 3.74Å; F81-Y105 HydrophobicContact CE1-CD1 3.74Å; F81-Y105 AromaticContact CE1-CD2 3.75Å; F81-Y105 HydrophobicContact CE1-CD2 3.75Å; F81-Y105 HydrophobicContact CE1-CE1 4.13Å; F81-Y105 HydrophobicContact CE1-CE2 4.18Å; F81-Y105 AromaticContact CE1-CG 3.53Å; F81-Y105 HydrophobicContact CE1-CG 3.53Å; F81-Y105 HydrophobicContact CG-CD1 4.23Å; F81-Y105 AromaticContact CG-CE1 3.98Å; F81-Y105 HydrophobicContact CG-CE1 3.98Å; F81-Y105 HydrophobicContact CZ-CD2 4.12Å; F81-Y105 HydrophobicContact CZ-CE2 4.28Å; F81-Y105 HydrophobicContact CZ-CG 4.36Å; F81-Y110 HydrophobicContact CD1-CE2 4.17Å; F81-Y110 AromaticContact CD1-CZ 3.94Å; F81-Y110 HydrophobicContact CE1-CE2 4.18Å | ||
| 82 | P | 89.1 | Confident | 91.6 | Very high | 25 Ų | 25 | 73.8 Ų | 73.8 | 16% | 0.162 | 38% | 0.378 | C | S | . | . | trans | -55.5 | 138.2 | 175.8 | -24 | 36.2 | 0 | 0 | 0 | 111.3 | Q40 P84 H108 Y110 | Q40-P82 PolarHBondContact NE2-O 3.34Å; P82-P84 VanDerWaalsContact C-CD 3.41Å; P82-H108 WeakPolarHBondContact CG-ND1 3.38Å; P82-Y110 WeakPolarHBondContact CD-OH 3.14Å | ||
| 83 | E | 85.2 | Confident | 91.7 | Very high | 149 Ų | 149 | 71.1 Ų | 71.1 | 70% | 0.696 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -60 | -38.2 | -176.7 | -167.8 | 168.9 | -165.7 | 0 | 0 | 115.9 | F81 R85 | F81-E83 PolarHBondContact O-N 3.24Å; E83-R85 PolarHBondContact O-N 3.43Å |
| 84 | P | 88.9 | Confident | 91.7 | Very high | 85 Ų | 85 | 69.3 Ų | 69.3 | 55% | 0.552 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -65.6 | 128.8 | -175.5 | 17.2 | -22 | 0 | 0 | 0 | 111.7 | P82 Y88 | P82-P84 VanDerWaalsContact C-CD 3.41Å; P84-Y88 WeakPolarHBondContact CG-OH 3.16Å; P84-Y88 VanDerWaalsContact O-CE2 3.26Å; P84-Y88 WeakPolarHBondContact O-CE2 3.43Å; P84-Y88 PolarHBondContact O-OH 2.97Å |
| 85 | R | 91 | Very high | 91.6 | Very high | 193 Ų | 193 | 69.1 Ų | 69.1 | 73% | 0.728 | 34% | 0.344 | S | S | * | . | trans | -68.4 | 150.8 | 175.2 | -62.9 | 173.2 | -163.7 | 163.6 | 5.4 | 110.6 | Q40 T41 E83 | Q40-R85 WeakPolarHBondContact O-CA 3.44Å; Q40-R85 WeakPolarHBondContact O-CB 3.47Å; T41-R85 VanDerWaalsContact O-CD 3.29Å; T41-R85 WeakPolarHBondContact O-CD 3.28Å; E83-R85 PolarHBondContact O-N 3.43Å | ||
| 86 | G | 92 | Very high | 91.6 | Very high | 28 Ų | 28 | 65 Ų | 65 | 29% | 0.289 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 148.3 | -169.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q40 | Q40-G86 PolarHBondContact N-O 2.86Å; Q40-G86 PolarHBondContact O-N 3.33Å |
| 87 | L | 93.5 | Very high | 91.3 | Very high | 98 Ų | 98 | 62.6 Ų | 62.6 | 51% | 0.513 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 114.5 | -178.2 | -160.1 | 69.3 | 0 | 0 | 0 | 110 | Q37 N39 I136 | Q37-L87 HydrophobicContact CB-CD1 4.33Å; Q37-L87 HydrophobicContact CB-CG 4.3Å; N39-L87 HydrophobicContact CB-CD1 3.88Å; L87-I136 HydrophobicContact CD1-CD1 4.21Å |
| 88 | Y | 95.6 | Very high | 91.2 | Very high | 37 Ų | 37 | 64.5 Ų | 64.5 | 15% | 0.145 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 127.1 | 178.8 | -74.8 | -80.6 | 0 | 0 | 0 | 111.1 | Q37 R38 Q40 P84 Y105 | Q37-Y88 CarbonylContact C-O 3.57Å; Q37-Y88 VanDerWaalsContact CA-O 3.3Å; Q37-Y88 WeakPolarHBondContact CA-O 3.36Å; R38-Y88 PolarHBondContact N-O 3.34Å; R38-Y88 PolarHBondContact O-N 3.4Å; Q40-Y88 HydrophobicContact CB-CD2 4.03Å; Q40-Y88 HydrophobicContact CB-CE2 4.18Å; P84-Y88 WeakPolarHBondContact CG-OH 3.16Å; P84-Y88 VanDerWaalsContact O-CE2 3.26Å; P84-Y88 WeakPolarHBondContact O-CE2 3.43Å; P84-Y88 PolarHBondContact O-OH 2.97Å; Y88-Y105 VanDerWaalsContact CB-CE1 3.49Å; Y88-Y105 WeakPolarHBondContact CB-OH 3.43Å; Y88-Y105 HydrophobicContact CD1-CD1 4.18Å; Y88-Y105 AromaticContact CD1-CE1 3.8Å; Y88-Y105 HydrophobicContact CD1-CE1 3.8Å; Y88-Y105 AromaticContact CD2-CE1 3.64Å; Y88-Y105 HydrophobicContact CD2-CE1 3.64Å; Y88-Y105 AromaticContact CD2-CZ 3.85Å; Y88-Y105 WeakPolarHBondContact CD2-OH 3.39Å; Y88-Y105 HydrophobicContact CE1-CE1 4.44Å; Y88-Y105 HydrophobicContact CE2-CE1 4.29Å; Y88-Y105 HydrophobicContact CG-CD1 4.12Å; Y88-Y105 AromaticContact CG-CE1 3.35Å; Y88-Y105 HydrophobicContact CG-CE1 3.35Å; Y88-Y105 AromaticContact CG-CZ 3.67Å |
| 89 | H | 96.4 | Very high | 91.3 | Very high | 103 Ų | 103 | 61.8 Ų | 61.8 | 48% | 0.477 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 136.8 | 166.5 | -164.1 | 62.2 | 0 | 0 | 0 | 109.7 | G36 G106 | G36-H89 WeakPolarHBondContact O-CA 3.5Å; G36-H89 PolarHBondContact O-ND1 3.08Å; H89-G106 PolarHBondContact O-N 3.38Å |
| 90 | F | 96.5 | Very high | 91.6 | Very high | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.009 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 152.8 | 177 | 75.3 | -88 | 0 | 0 | 0 | 111.4 | F34 C35 G36 R38 L103 R104 Y105 L135 | F34-F90 HydrophobicContact CD1-CE2 4Å; F34-F90 AromaticContact CE1-CE2 3.72Å; F34-F90 HydrophobicContact CE1-CE2 3.72Å; F34-F90 AromaticContact CE1-CZ 3.94Å; F34-F90 HydrophobicContact CE1-CZ 3.94Å; F34-F90 HydrophobicContact CZ-CZ 4.41Å; C35-F90 CarbonylContact C-O 3.58Å; C35-F90 VanDerWaalsContact CA-O 3.23Å; C35-F90 WeakPolarHBondContact CA-O 3.44Å; G36-F90 PolarHBondContact N-O 3.31Å; G36-F90 WeakPolarHBondContact O-CD1 3.29Å; G36-F90 PolarHBondContact O-N 2.93Å; R38-F90 HydrophobicContact CB-CD1 4.11Å; R38-F90 HydrophobicContact CB-CE1 4.29Å; F90-L103 HydrophobicContact CB-CD1 4.29Å; F90-L103 HydrophobicContact CD2-CD1 3.86Å; F90-L103 HydrophobicContact CG-CD1 4.48Å; F90-R104 CarbonylContact C-O 3.53Å; F90-R104 WeakPolarHBondContact CA-O 3.26Å; F90-R104 WeakPolarHBondContact CB-O 3.26Å; F90-Y105 HydrophobicContact CB-CD2 3.55Å; F90-Y105 HydrophobicContact CB-CE2 4.21Å; F90-Y105 HydrophobicContact CB-CG 4.37Å; F90-Y105 HydrophobicContact CG-CD2 4.34Å; F90-L135 HydrophobicContact CE1-CD1 4.46Å; F90-L135 HydrophobicContact CE1-CD2 3.84Å; F90-L135 HydrophobicContact CZ-CD1 3.91Å; F90-L135 HydrophobicContact CZ-CD2 4.13Å; F90-L135 HydrophobicContact CZ-CG 4.45Å |
| 91 | C | 96.8 | Very high | 91.9 | Very high | 8 Ų | 8 | 53.4 Ų | 53.4 | 5% | 0.054 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 125.7 | 170.7 | -70.3 | 0 | 0 | 0 | 0 | 109.8 | F34 C35 Y93 R104 | F34-C91 CarbonylContact O-C 3.53Å; F34-C91 VanDerWaalsContact O-CA 3.31Å; F34-C91 WeakPolarHBondContact O-CA 3.48Å; C35-C91 HydrophobicContact CB-CB 4.15Å; C35-C91 WeakPolarHBondContact CB-SG 3.33Å; C35-C91 WeakPolarHBondContact SG-CB 3.34Å; C35-C91 CovalentContact SG-SG 2.04Å; C35-C91 PolarHBondContact SG-SG 3.31Å; C91-Y93 HydrophobicContact CB-CD2 4.06Å; C91-Y93 HydrophobicContact CB-CE1 4.22Å; C91-Y93 HydrophobicContact CB-CE2 3.27Å; C91-Y93 WeakPolarHBondContact CB-OH 3.39Å; C91-Y93 WeakPolarHBondContact O-CD2 3.41Å; C91-Y93 WeakPolarHBondContact O-CE2 3.17Å; C91-R104 PolarHBondContact N-O 3.44Å; C91-R104 PolarHBondContact O-N 3.18Å |
| 92 | L | 96.4 | Very high | 92 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 119.6 | 169.7 | -179.7 | 62.6 | 0 | 0 | 0 | 108.5 | F32 R33 F34 I56 V58 I67 L101 L103 L112 | F32-L92 HydrophobicContact CE1-CD2 4.4Å; R33-L92 CarbonylContact C-O 3.52Å; R33-L92 WeakPolarHBondContact CA-O 3.38Å; F34-L92 HydrophobicContact CB-CB 4.39Å; F34-L92 PolarHBondContact N-O 3.49Å; F34-L92 PolarHBondContact O-N 3.49Å; I56-L92 HydrophobicContact CG2-CD2 3.71Å; V58-L92 HydrophobicContact CG2-CD2 3.98Å; I67-L92 HydrophobicContact CD1-CD1 4.18Å; I67-L92 HydrophobicContact CG2-CD2 4.13Å; L92-L101 HydrophobicContact CD1-CD1 3.83Å; L92-L101 HydrophobicContact CD1-CG 4.25Å; L92-L101 HydrophobicContact CG-CD1 4.26Å; L92-L103 HydrophobicContact CB-CD1 4.22Å; L92-L103 HydrophobicContact CD1-CB 4.31Å; L92-L112 HydrophobicContact CD1-CD1 3.65Å |
| 93 | Y | 95.1 | Very high | 92.4 | Very high | 32 Ų | 32 | 54 Ų | 54 | 13% | 0.125 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 133.5 | -179 | -60.6 | -86.2 | 0 | 0 | 0 | 110.1 | E30 F32 R33 C91 L101 H102 R104 | E30-Y93 HydrophobicContact CG-CD1 3.97Å; F32-Y93 WeakPolarHBondContact O-CA 3.34Å; R33-Y93 HydrophobicContact CB-CD1 4.26Å; R33-Y93 HydrophobicContact CB-CE1 4.49Å; R33-Y93 HydrophobicContact CG-CD1 3.88Å; R33-Y93 HydrophobicContact CG-CE1 3.68Å; C91-Y93 HydrophobicContact CB-CD2 4.06Å; C91-Y93 HydrophobicContact CB-CE1 4.22Å; C91-Y93 HydrophobicContact CB-CE2 3.27Å; C91-Y93 WeakPolarHBondContact CB-OH 3.39Å; C91-Y93 WeakPolarHBondContact O-CD2 3.41Å; C91-Y93 WeakPolarHBondContact O-CE2 3.17Å; Y93-L101 WeakPolarHBondContact O-CA 3.39Å; Y93-H102 WeakPolarHBondContact CB-NE2 3.22Å; Y93-H102 AromaticContact CD2-CE1 3.74Å; Y93-H102 AromaticContact CD2-NE2 3.88Å; Y93-H102 AromaticContact CG-NE2 3.84Å; Y93-H102 PolarHBondContact N-O 2.84Å; Y93-H102 PolarHBondContact O-N 3.11Å; Y93-R104 HydrophobicContact CD2-CB 4.42Å; Y93-R104 HydrophobicContact CE2-CB 3.88Å |
| 94 | W | 94 | Very high | 92.9 | Very high | 3 Ų | 3 | 53.5 Ų | 53.5 | 1% | 0.011 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 130.8 | 168.3 | 169.7 | 50.6 | 0 | 0 | 0 | 109.1 | D31 F32 F71 R96 R100 L101 A116 R118 L120 F161 | D31-W94 HydrophobicContact CB-CD2 4.39Å; D31-W94 HydrophobicContact CB-CE3 4.02Å; D31-W94 HydrophobicContact CB-CH2 4.41Å; D31-W94 HydrophobicContact CB-CZ3 4.02Å; D31-W94 PolarHBondContact N-O 3.39Å; F32-W94 HydrophobicContact CB-CB 4.17Å; F32-W94 HydrophobicContact CB-CE3 3.7Å; F32-W94 HydrophobicContact CD1-CB 4.5Å; F32-W94 PolarHBondContact N-O 3.49Å; F32-W94 PolarHBondContact O-N 2.89Å; F71-W94 HydrophobicContact CE1-CZ2 4.42Å; F71-W94 AromaticContact CE1-NE1 3.95Å; F71-W94 AromaticContact CE2-CD1 3.86Å; F71-W94 HydrophobicContact CE2-CD2 4.42Å; F71-W94 HydrophobicContact CE2-CG 4.22Å; F71-W94 AromaticContact CE2-NE1 3.88Å; F71-W94 AromaticContact CZ-CD1 3.86Å; F71-W94 HydrophobicContact CZ-CD2 4.05Å; F71-W94 AromaticContact CZ-CE2 3.53Å; F71-W94 HydrophobicContact CZ-CG 4.27Å; F71-W94 AromaticContact CZ-CZ2 3.97Å; F71-W94 HydrophobicContact CZ-CZ2 3.97Å; F71-W94 AromaticContact CZ-NE1 3.38Å; W94-R96 HydrophobicContact CZ2-CB 4.04Å; W94-R100 WeakPolarHBondContact CA-O 3.49Å; W94-L101 HydrophobicContact CB-CD1 3.72Å; W94-L101 HydrophobicContact CG-CD1 4.42Å; W94-A116 PolarHBondContact NE1-O 3.4Å; W94-R118 WeakPolarHBondContact CZ2-O 3.47Å; W94-L120 HydrophobicContact CH2-CB 3.67Å; W94-L120 WeakPolarHBondContact CH2-O 3.41Å; W94-L120 HydrophobicContact CZ2-CB 4.32Å; W94-L120 HydrophobicContact CZ3-CB 4.31Å; W94-F161 HydrophobicContact CE3-CE1 4.16Å; W94-F161 HydrophobicContact CZ3-CD1 4.22Å; W94-F161 AromaticContact CZ3-CE1 3.82Å; W94-F161 HydrophobicContact CZ3-CE1 3.82Å |
| 95 | S | 90.9 | Very high | 93.2 | Very high | 8 Ų | 8 | 49.4 Ų | 49.4 | 6% | 0.056 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 128.1 | 164.9 | -166.5 | 0 | 0 | 0 | 0 | 113.2 | D31 H97 T98 G99 R100 L222 | D31-S95 WeakPolarHBondContact OD2-CA 3.43Å; D31-S95 PolarHBondContact OD2-OG 2.99Å; S95-H97 PolarHBondContact OG-CE1 3.07Å; S95-H97 PolarHBondContact OG-ND1 3.39Å; S95-T98 PolarHBondContact O-OG1 3.42Å; S95-G99 PolarHBondContact O-N 2.85Å; S95-G99 VanDerWaalsContact O-N 3.09Å; S95-R100 PolarHBondContact N-O 3.17Å; S95-R100 PolarHBondContact O-N 2.92Å; S95-R100 VanDerWaalsContact O-N 3.09Å; S95-L222 WeakPolarHBondContact OG-CD2 3.22Å |
| 96 | R | 87.2 | Confident | 93.3 | Very high | 30 Ų | 30 | 41.6 Ų | 41.6 | 11% | 0.113 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -43.3 | -177.2 | -174.5 | -172.9 | 59.6 | 75.9 | 8.7 | 111.3 | D31 W94 G99 S117 L222 | D31-R96 PolarHBondContact OD2-N 3.44Å; W94-R96 HydrophobicContact CZ2-CB 4.04Å; R96-G99 PolarHBondContact O-N 2.99Å; R96-G99 VanDerWaalsContact O-N 3.12Å; R96-S117 WeakPolarHBondContact CG-O 3.44Å; R96-L222 PolarHBondContact NH2-O 2.87Å |
| 97 | H | 83.6 | Confident | 93.2 | Very high | 92 Ų | 92 | 50 Ų | 50 | 43% | 0.426 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -38.6 | -176.6 | 79.3 | -76.5 | 0 | 0 | 0 | 112.7 | S95 G99 L222 | S95-H97 PolarHBondContact OG-CE1 3.07Å; S95-H97 PolarHBondContact OG-ND1 3.39Å; H97-G99 VanDerWaalsContact C-N 3.28Å; H97-L222 VanDerWaalsContact CE1-CD2 3.43Å; H97-L222 WeakPolarHBondContact CE1-CD2 3.35Å; H97-L222 WeakPolarHBondContact ND1-CD2 3.35Å |
| 98 | T | 86.9 | Confident | 93.2 | Very high | 72 Ų | 72 | 50.2 Ų | 50.2 | 44% | 0.442 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -11.8 | 173.2 | 58.9 | 0 | 0 | 0 | 0 | 112.8 | S95 R100 | S95-T98 PolarHBondContact O-OG1 3.42Å; T98-R100 PolarHBondContact O-N 3.38Å |
| 99 | G | 90.1 | Very high | 93.1 | Very high | 7 Ų | 7 | 53 Ų | 53 | 7% | 0.072 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 29.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S95 R96 H97 S114 Q115 A116 | S95-G99 PolarHBondContact O-N 2.85Å; S95-G99 VanDerWaalsContact O-N 3.09Å; R96-G99 PolarHBondContact O-N 2.99Å; R96-G99 VanDerWaalsContact O-N 3.12Å; H97-G99 VanDerWaalsContact C-N 3.28Å; G99-S114 CarbonylContact O-C 3.5Å; G99-Q115 PolarHBondContact O-N 3.49Å; G99-A116 PolarHBondContact O-N 3.42Å |
| 100 | R | 93 | Very high | 93 | Very high | 141 Ų | 141 | 48.8 Ų | 48.8 | 53% | 0.532 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 133.5 | -173.5 | -68.2 | -170.9 | -178.5 | -173.5 | -0.3 | 112 | W94 S95 T98 L111 | W94-R100 WeakPolarHBondContact CA-O 3.49Å; S95-R100 PolarHBondContact N-O 3.17Å; S95-R100 PolarHBondContact O-N 2.92Å; S95-R100 VanDerWaalsContact O-N 3.09Å; T98-R100 PolarHBondContact O-N 3.38Å; R100-L111 HydrophobicContact CB-CD1 4.35Å; R100-L111 HydrophobicContact CG-CD1 4.22Å |
| 101 | L | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 119.7 | 161.3 | 178.7 | 74.7 | 0 | 0 | 0 | 107.2 | Y48 A69 F71 L92 Y93 W94 L112 S113 A116 | Y48-L101 HydrophobicContact CE2-CD2 3.58Å; A69-L101 HydrophobicContact CB-CD2 3.68Å; F71-L101 HydrophobicContact CD2-CB 4.29Å; F71-L101 HydrophobicContact CD2-CD2 3.96Å; F71-L101 HydrophobicContact CE2-CD2 4.46Å; L92-L101 HydrophobicContact CD1-CD1 3.83Å; L92-L101 HydrophobicContact CD1-CG 4.25Å; L92-L101 HydrophobicContact CG-CD1 4.26Å; Y93-L101 WeakPolarHBondContact O-CA 3.39Å; W94-L101 HydrophobicContact CB-CD1 3.72Å; W94-L101 HydrophobicContact CG-CD1 4.42Å; L101-L112 HydrophobicContact CD2-CB 4.01Å; L101-L112 HydrophobicContact CD2-CD1 4.09Å; L101-L112 HydrophobicContact CG-CB 4.12Å; L101-L112 HydrophobicContact CG-CD1 4.17Å; L101-L112 WeakPolarHBondContact O-CA 3.49Å; L101-L112 WeakPolarHBondContact O-CB 3.33Å; L101-L112 PolarHBondContact O-N 3.23Å; L101-S113 PolarHBondContact N-O 3.17Å; L101-S113 PolarHBondContact O-N 3.04Å; L101-A116 HydrophobicContact CB-CB 4.17Å |
| 102 | H | 95.4 | Very high | 92.8 | Very high | 44 Ų | 44 | 51.5 Ų | 51.5 | 20% | 0.204 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 148.2 | -179.3 | 72.4 | 115.9 | 0 | 0 | 0 | 112.2 | Y93 D109 Y110 L111 | Y93-H102 WeakPolarHBondContact CB-NE2 3.22Å; Y93-H102 AromaticContact CD2-CE1 3.74Å; Y93-H102 AromaticContact CD2-NE2 3.88Å; Y93-H102 AromaticContact CG-NE2 3.84Å; Y93-H102 PolarHBondContact N-O 2.84Å; Y93-H102 PolarHBondContact O-N 3.11Å; H102-D109 IonicContact CE1-OD1 2.68Å; H102-D109 IonicContact CE1-OD2 2.64Å; H102-D109 IonicContact CG-OD1 3.04Å; H102-D109 VanDerWaalsContact ND1-CG 3.28Å; H102-D109 IonicContact ND1-OD1 2.62Å; H102-D109 PolarHBondContact ND1-OD1 2.83Å; H102-D109 IonicContact ND1-OD2 2.59Å; H102-D109 PolarHBondContact ND1-OD2 3.49Å; H102-Y110 CarbonylContact C-O 3.51Å; H102-Y110 VanDerWaalsContact CA-O 3.27Å; H102-Y110 WeakPolarHBondContact CA-O 3.23Å; H102-Y110 WeakPolarHBondContact CB-O 3.43Å; H102-L111 HydrophobicContact CB-CD1 4.21Å |
| 103 | L | 96.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 111.5 | 178.4 | 174.8 | 72.8 | 0 | 0 | 0 | 108.9 | L46 L65 I67 F81 F90 L92 Y110 L112 | L46-L103 HydrophobicContact CD1-CD2 3.74Å; L46-L103 HydrophobicContact CD2-CD2 4.31Å; L65-L103 HydrophobicContact CD2-CD2 3.98Å; I67-L103 HydrophobicContact CD1-CB 4.39Å; I67-L103 HydrophobicContact CD1-CD1 4.14Å; I67-L103 HydrophobicContact CD1-CD2 3.85Å; I67-L103 HydrophobicContact CD1-CG 4.35Å; F81-L103 HydrophobicContact CE1-CD2 4.22Å; F81-L103 HydrophobicContact CZ-CD2 4.16Å; F90-L103 HydrophobicContact CB-CD1 4.29Å; F90-L103 HydrophobicContact CD2-CD1 3.86Å; F90-L103 HydrophobicContact CG-CD1 4.48Å; L92-L103 HydrophobicContact CB-CD1 4.22Å; L92-L103 HydrophobicContact CD1-CB 4.31Å; L103-Y110 PolarHBondContact N-O 3.35Å; L103-Y110 WeakPolarHBondContact O-CD2 3.26Å; L103-Y110 PolarHBondContact O-N 2.92Å; L103-L112 HydrophobicContact CB-CD1 4.14Å; L103-L112 HydrophobicContact CB-CD2 4.47Å; L103-L112 HydrophobicContact CB-CG 4.36Å |
| 104 | R | 96 | Very high | 92.6 | Very high | 138 Ų | 138 | 53.2 Ų | 53.2 | 52% | 0.521 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 118.2 | 167.7 | -167 | 174.9 | -178.4 | 176.2 | 2.3 | 108.8 | F90 C91 Y93 H108 | F90-R104 CarbonylContact C-O 3.53Å; F90-R104 WeakPolarHBondContact CA-O 3.26Å; F90-R104 WeakPolarHBondContact CB-O 3.26Å; C91-R104 PolarHBondContact N-O 3.44Å; C91-R104 PolarHBondContact O-N 3.18Å; Y93-R104 HydrophobicContact CD2-CB 4.42Å; Y93-R104 HydrophobicContact CE2-CB 3.88Å; R104-H108 CarbonylContact C-O 3.56Å; R104-H108 WeakPolarHBondContact CA-O 3.34Å |
| 105 | Y | 95.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 109.1 | -178.2 | -170.3 | -89.3 | 0 | 0 | 0 | 110.1 | R38 Q40 F81 Y88 F90 K107 H108 | R38-Y105 HydrophobicContact CB-CE2 3.96Å; R38-Y105 WeakPolarHBondContact CD-OH 3.14Å; R38-Y105 HydrophobicContact CG-CE2 4.38Å; Q40-Y105 PolarHBondContact OE1-OH 3.23Å; F81-Y105 HydrophobicContact CB-CE1 4.3Å; F81-Y105 AromaticContact CD1-CD1 3.45Å; F81-Y105 HydrophobicContact CD1-CD1 3.45Å; F81-Y105 VanDerWaalsContact CD1-CD1 3.45Å; F81-Y105 HydrophobicContact CD1-CD2 4.27Å; F81-Y105 AromaticContact CD1-CE1 3.66Å; F81-Y105 HydrophobicContact CD1-CE1 3.66Å; F81-Y105 HydrophobicContact CD1-CE2 4.48Å; F81-Y105 AromaticContact CD1-CG 3.78Å; F81-Y105 HydrophobicContact CD1-CG 3.78Å; F81-Y105 AromaticContact CE1-CD1 3.74Å; F81-Y105 HydrophobicContact CE1-CD1 3.74Å; F81-Y105 AromaticContact CE1-CD2 3.75Å; F81-Y105 HydrophobicContact CE1-CD2 3.75Å; F81-Y105 HydrophobicContact CE1-CE1 4.13Å; F81-Y105 HydrophobicContact CE1-CE2 4.18Å; F81-Y105 AromaticContact CE1-CG 3.53Å; F81-Y105 HydrophobicContact CE1-CG 3.53Å; F81-Y105 HydrophobicContact CG-CD1 4.23Å; F81-Y105 AromaticContact CG-CE1 3.98Å; F81-Y105 HydrophobicContact CG-CE1 3.98Å; F81-Y105 HydrophobicContact CZ-CD2 4.12Å; F81-Y105 HydrophobicContact CZ-CE2 4.28Å; F81-Y105 HydrophobicContact CZ-CG 4.36Å; Y88-Y105 VanDerWaalsContact CB-CE1 3.49Å; Y88-Y105 WeakPolarHBondContact CB-OH 3.43Å; Y88-Y105 HydrophobicContact CD1-CD1 4.18Å; Y88-Y105 AromaticContact CD1-CE1 3.8Å; Y88-Y105 HydrophobicContact CD1-CE1 3.8Å; Y88-Y105 AromaticContact CD2-CE1 3.64Å; Y88-Y105 HydrophobicContact CD2-CE1 3.64Å; Y88-Y105 AromaticContact CD2-CZ 3.85Å; Y88-Y105 WeakPolarHBondContact CD2-OH 3.39Å; Y88-Y105 HydrophobicContact CE1-CE1 4.44Å; Y88-Y105 HydrophobicContact CE2-CE1 4.29Å; Y88-Y105 HydrophobicContact CG-CD1 4.12Å; Y88-Y105 AromaticContact CG-CE1 3.35Å; Y88-Y105 HydrophobicContact CG-CE1 3.35Å; Y88-Y105 AromaticContact CG-CZ 3.67Å; F90-Y105 HydrophobicContact CB-CD2 3.55Å; F90-Y105 HydrophobicContact CB-CE2 4.21Å; F90-Y105 HydrophobicContact CB-CG 4.37Å; F90-Y105 HydrophobicContact CG-CD2 4.34Å; Y105-K107 PolarHBondContact O-N 3Å; Y105-H108 PolarHBondContact N-O 3.5Å; Y105-H108 PolarHBondContact O-N 3.06Å |
| 106 | G | 92.5 | Very high | 92.4 | Very high | 29 Ų | 29 | 58.6 Ų | 58.6 | 30% | 0.299 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | -116.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | H89 | H89-G106 PolarHBondContact O-N 3.38Š|
| 107 | K | 91.1 | Very high | 92.2 | Very high | 203 Ų | 203 | 60.9 Ų | 60.9 | 88% | 0.883 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -7.2 | 176.6 | -65.9 | -174.1 | -179.6 | -179.8 | 0 | 113.9 | Y105 | Y105-K107 PolarHBondContact O-N 3Š|
| 108 | H | 92.6 | Very high | 92.3 | Very high | 103 Ų | 103 | 62.8 Ų | 62.8 | 48% | 0.477 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 153.2 | -175.5 | -64 | 89.7 | 0 | 0 | 0 | 111.2 | P82 R104 Y105 Y110 | P82-H108 WeakPolarHBondContact CG-ND1 3.38Å; R104-H108 CarbonylContact C-O 3.56Å; R104-H108 WeakPolarHBondContact CA-O 3.34Å; Y105-H108 PolarHBondContact N-O 3.5Å; Y105-H108 PolarHBondContact O-N 3.06Å; H108-Y110 HydrophobicContact CB-CD2 4.32Å; H108-Y110 HydrophobicContact CB-CE2 3.55Å |
| 109 | D | 93.3 | Very high | 92.1 | Very high | 95 Ų | 95 | 61 Ų | 61 | 51% | 0.508 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 123.2 | 177.1 | -166.5 | 7 | 0 | 0 | 0 | 109.7 | H102 | H102-D109 IonicContact CE1-OD1 2.68Å; H102-D109 IonicContact CE1-OD2 2.64Å; H102-D109 IonicContact CG-OD1 3.04Å; H102-D109 VanDerWaalsContact ND1-CG 3.28Å; H102-D109 IonicContact ND1-OD1 2.62Å; H102-D109 PolarHBondContact ND1-OD1 2.83Å; H102-D109 IonicContact ND1-OD2 2.59Å; H102-D109 PolarHBondContact ND1-OD2 3.49Å |
| 110 | Y | 94.4 | Very high | 91.8 | Very high | 15 Ų | 15 | 61 Ų | 61 | 6% | 0.059 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 110.2 | -173.4 | -63.4 | -101.7 | 0 | 0 | 0 | 108.9 | L46 P78 F81 P82 H102 L103 H108 L112 | L46-Y110 HydrophobicContact CD2-CD1 3.51Å; L46-Y110 HydrophobicContact CD2-CE1 4.28Å; L46-Y110 HydrophobicContact CD2-CG 3.69Å; P78-Y110 HydrophobicContact CB-CD1 3.95Å; P78-Y110 HydrophobicContact CB-CE1 3.85Å; P78-Y110 HydrophobicContact CG-CD1 3.84Å; P78-Y110 HydrophobicContact CG-CE1 4.14Å; F81-Y110 HydrophobicContact CD1-CE2 4.17Å; F81-Y110 AromaticContact CD1-CZ 3.94Å; F81-Y110 HydrophobicContact CE1-CE2 4.18Å; P82-Y110 WeakPolarHBondContact CD-OH 3.14Å; H102-Y110 CarbonylContact C-O 3.51Å; H102-Y110 VanDerWaalsContact CA-O 3.27Å; H102-Y110 WeakPolarHBondContact CA-O 3.23Å; H102-Y110 WeakPolarHBondContact CB-O 3.43Å; L103-Y110 PolarHBondContact N-O 3.35Å; L103-Y110 WeakPolarHBondContact O-CD2 3.26Å; L103-Y110 PolarHBondContact O-N 2.92Å; H108-Y110 HydrophobicContact CB-CD2 4.32Å; H108-Y110 HydrophobicContact CB-CE2 3.55Å; Y110-L112 PolarHBondContact O-N 3.09Å |
| 111 | L | 94.6 | Very high | 91.1 | Very high | 68 Ų | 68 | 54.8 Ų | 54.8 | 36% | 0.356 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 112.5 | 175.9 | -174.4 | 68.6 | 0 | 0 | 0 | 109.8 | R100 H102 | R100-L111 HydrophobicContact CB-CD1 4.35Å; R100-L111 HydrophobicContact CG-CD1 4.22Å; H102-L111 HydrophobicContact CB-CD1 4.21Å |
| 112 | L | 95.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -37 | -178.6 | -54.3 | -177.7 | 0 | 0 | 0 | 111.8 | L46 Y48 I67 A74 I77 L92 L101 L103 Y110 | L46-L112 HydrophobicContact CD1-CD2 4.45Å; L46-L112 HydrophobicContact CD2-CD2 3.95Å; Y48-L112 HydrophobicContact CD2-CB 3.8Å; Y48-L112 HydrophobicContact CD2-CD1 3.95Å; Y48-L112 HydrophobicContact CD2-CD2 4.42Å; Y48-L112 HydrophobicContact CD2-CG 4.28Å; Y48-L112 HydrophobicContact CE2-CB 3.94Å; Y48-L112 HydrophobicContact CE2-CD1 4.33Å; Y48-L112 HydrophobicContact CG-CB 4.17Å; I67-L112 HydrophobicContact CB-CD1 4.31Å; I67-L112 HydrophobicContact CD1-CD1 3.82Å; I67-L112 HydrophobicContact CG2-CD1 3.93Å; A74-L112 PolarHBondContact N-O 3.4Å; I77-L112 WeakPolarHBondContact CD1-O 3.4Å; I77-L112 HydrophobicContact CG2-CD2 4.39Å; L92-L112 HydrophobicContact CD1-CD1 3.65Å; L101-L112 HydrophobicContact CD2-CB 4.01Å; L101-L112 HydrophobicContact CD2-CD1 4.09Å; L101-L112 HydrophobicContact CG-CB 4.12Å; L101-L112 HydrophobicContact CG-CD1 4.17Å; L101-L112 WeakPolarHBondContact O-CA 3.49Å; L101-L112 WeakPolarHBondContact O-CB 3.33Å; L101-L112 PolarHBondContact O-N 3.23Å; L103-L112 HydrophobicContact CB-CD1 4.14Å; L103-L112 HydrophobicContact CB-CD2 4.47Å; L103-L112 HydrophobicContact CB-CG 4.36Å; Y110-L112 PolarHBondContact O-N 3.09Å |
| 113 | S | 94.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 138.3 | 176.3 | -175 | 0 | 0 | 0 | 0 | 111.4 | F71 L72 L101 Q115 | F71-S113 WeakPolarHBondContact CB-OG 3.43Å; L72-S113 WeakPolarHBondContact O-CB 3.38Å; L72-S113 PolarHBondContact O-OG 2.97Å; L101-S113 PolarHBondContact N-O 3.17Å; L101-S113 PolarHBondContact O-N 3.04Å; S113-Q115 PolarHBondContact OG-N 3.36Å |
| 114 | S | 92.1 | Very high | 88.4 | Confident | 68 Ų | 68 | 62.5 Ų | 62.5 | 48% | 0.476 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -100.8 | 1.2 | 172.4 | 56.7 | 0 | 0 | 0 | 0 | 113.7 | G99 | G99-S114 CarbonylContact O-C 3.5Š|
| 115 | Q | 90.2 | Very high | 87.8 | Confident | 124 Ų | 124 | 59 Ų | 59 | 58% | 0.579 | 30% | 0.295 | S | S | * | . | trans | -128.9 | 43.4 | -177.3 | -64.7 | -173.8 | -5 | 0 | 0 | 111.9 | G99 S113 S117 | G99-Q115 PolarHBondContact O-N 3.49Å; S113-Q115 PolarHBondContact OG-N 3.36Å; Q115-S117 VanDerWaalsContact C-N 3.33Å; Q115-S117 PolarHBondContact O-N 2.93Å | ||
| 116 | A | 89.6 | Confident | 87.3 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | trans | -93.7 | 41.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | F71 W94 G99 L101 | F71-A116 HydrophobicContact CB-CB 4.03Å; F71-A116 HydrophobicContact CD1-CB 3.72Å; F71-A116 HydrophobicContact CD2-CB 3.77Å; F71-A116 HydrophobicContact CE1-CB 4.05Å; F71-A116 HydrophobicContact CE2-CB 4.1Å; F71-A116 HydrophobicContact CG-CB 3.56Å; F71-A116 HydrophobicContact CZ-CB 4.23Å; W94-A116 PolarHBondContact NE1-O 3.4Å; G99-A116 PolarHBondContact O-N 3.42Å; L101-A116 HydrophobicContact CB-CB 4.17Å | ||
| 117 | S | 84.6 | Confident | 86.7 | Confident | 78 Ų | 78 | 69.9 Ų | 69.9 | 55% | 0.545 | 34% | 0.338 | S | S | . | . | trans | -88.6 | 0.1 | -175.1 | 54.7 | 0 | 0 | 0 | 0 | 114.8 | R96 Q115 | R96-S117 WeakPolarHBondContact CG-O 3.44Å; Q115-S117 VanDerWaalsContact C-N 3.33Å; Q115-S117 PolarHBondContact O-N 2.93Å | ||
| 118 | R | 84.2 | Confident | 86.3 | Confident | 132 Ų | 132 | 61.3 Ų | 61.3 | 50% | 0.498 | 30% | 0.304 | S | S | . | . | trans | -63.4 | 136 | -179 | -172.5 | 178.1 | 179.7 | 174.1 | 1.3 | 111.5 | F71 W94 L120 | F71-R118 HydrophobicContact CE1-CB 4.2Å; W94-R118 WeakPolarHBondContact CZ2-O 3.47Å; R118-L120 HydrophobicContact CG-CD2 4.45Å; R118-L120 HydrophobicContact CG-CG 4.26Å; R118-L120 PolarHBondContact O-N 2.92Å | ||
| 119 | L | 83.1 | Confident | 86 | Confident | 35 Ų | 35 | 63.6 Ų | 63.6 | 18% | 0.183 | 32% | 0.318 | C | S | . | . | trans | -71.1 | 111.3 | 173.5 | -178.4 | 63.3 | 0 | 0 | 0 | 110.5 | M176 K180 F228 | L119-M176 HydrophobicContact CD1-CB 4.14Å; L119-M176 HydrophobicContact CD1-CE 3.31Å; L119-K180 HydrophobicContact CD2-CB 3.98Å; L119-K180 HydrophobicContact CD2-CD 3.99Å; L119-K180 HydrophobicContact CD2-CG 3.96Å; L119-F228 HydrophobicContact CD2-CE1 4.3Å | ||
| 120 | L | 83 | Confident | 85.8 | Confident | 6 Ų | 6 | 64.5 Ų | 64.5 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | trans | -135.5 | 145.2 | 175.1 | -64.3 | 174.7 | 0 | 0 | 0 | 108.7 | P54 P70 F71 W94 R118 F161 | P54-L120 HydrophobicContact CB-CD2 4.24Å; P70-L120 HydrophobicContact CG-CD1 3.63Å; F71-L120 HydrophobicContact CE1-CD1 3.94Å; F71-L120 HydrophobicContact CZ-CD1 3.91Å; W94-L120 HydrophobicContact CH2-CB 3.67Å; W94-L120 WeakPolarHBondContact CH2-O 3.41Å; W94-L120 HydrophobicContact CZ2-CB 4.32Å; W94-L120 HydrophobicContact CZ3-CB 4.31Å; R118-L120 HydrophobicContact CG-CD2 4.45Å; R118-L120 HydrophobicContact CG-CG 4.26Å; R118-L120 PolarHBondContact O-N 2.92Å; L120-F161 HydrophobicContact CB-CB 3.89Å; L120-F161 HydrophobicContact CB-CD1 4.01Å; L120-F161 HydrophobicContact CB-CG 4.11Å; L120-F161 HydrophobicContact CD1-CB 4.48Å; L120-F161 HydrophobicContact CD2-CB 4.31Å; L120-F161 HydrophobicContact CG-CB 4.46Å | ||
| 121 | C | 79.4 | Confident | 85.5 | Confident | 11 Ų | 11 | 72 Ų | 72 | 7% | 0.074 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 128.9 | 176.8 | -59.3 | 0 | 0 | 0 | 0 | 110.2 | Q123 Q144 F161 H162 C177 | C121-Q123 PolarHBondContact O-N 3.22Å; C121-Q144 VanDerWaalsContact CB-NE2 3.34Å; C121-Q144 PolarHBondContact SG-NE2 3.27Å; C121-Q144 VanDerWaalsContact SG-NE2 3.36Å; C121-F161 VanDerWaalsContact O-CA 3.29Å; C121-F161 WeakPolarHBondContact O-CA 3.22Å; C121-H162 PolarHBondContact O-N 2.64Å; C121-C177 HydrophobicContact CB-CB 3.79Å; C121-C177 WeakPolarHBondContact CB-SG 3.23Å; C121-C177 WeakPolarHBondContact SG-CB 3.38Å; C121-C177 CovalentContact SG-SG 2.02Å; C121-C177 PolarHBondContact SG-SG 3.48Å |
| 122 | F | 76.9 | Confident | 85.4 | Confident | 18 Ų | 18 | 70.6 Ų | 70.6 | 8% | 0.079 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 126.5 | -178.4 | 179.8 | -104.4 | 0 | 0 | 0 | 109.7 | F32 S142 I145 F159 F161 | F32-F122 HydrophobicContact CD2-CD2 4.23Å; F32-F122 HydrophobicContact CE2-CD2 4.09Å; F32-F122 HydrophobicContact CE2-CE2 4.21Å; F122-S142 WeakPolarHBondContact CD1-OG 3.01Å; F122-I145 HydrophobicContact CD1-CD1 4.1Å; F122-I145 HydrophobicContact CE1-CD1 4.04Å; F122-F159 HydrophobicContact CD2-CB 4.23Å; F122-F159 HydrophobicContact CE2-CB 3.65Å; F122-F159 AromaticContact CE2-CD1 3.56Å; F122-F159 HydrophobicContact CE2-CD1 3.56Å; F122-F159 HydrophobicContact CE2-CG 4.02Å; F122-F159 AromaticContact CZ-CD1 3.84Å; F122-F159 HydrophobicContact CZ-CD1 3.84Å; F122-F161 HydrophobicContact CB-CD1 4.06Å; F122-F161 HydrophobicContact CB-CE1 3.76Å; F122-F161 HydrophobicContact CD2-CD1 4.5Å; F122-F161 AromaticContact CD2-CE1 3.96Å; F122-F161 HydrophobicContact CD2-CE1 3.96Å; F122-F161 HydrophobicContact CD2-CZ 4.01Å; F122-F161 HydrophobicContact CG-CE1 4.37Å |
| 123 | Q | 71.3 | Confident | 85.2 | Confident | 53 Ų | 53 | 71.6 Ų | 71.6 | 25% | 0.248 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | -58.8 | -179 | -172 | -156.9 | 13.2 | 0 | 0 | 111.3 | C121 S160 H162 H166 | C121-Q123 PolarHBondContact O-N 3.22Å; Q123-S160 PolarHBondContact N-O 2.95Å; Q123-S160 VanDerWaalsContact N-O 3.13Å; Q123-H162 PolarHBondContact OE1-CD2 2.84Å; Q123-H162 PolarHBondContact OE1-NE2 3.36Å; Q123-H162 VanDerWaalsContact OE1-NE2 3.14Å; Q123-H166 HydrophobicContact CG-CB 4.33Å; Q123-H166 PolarHBondContact NE2-CD2 2.9Å |
| 124 | K | 81.2 | Confident | 85.2 | Confident | 136 Ų | 136 | 75.2 Ų | 75.2 | 59% | 0.591 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 148.2 | -165.7 | -173.5 | 179.4 | 173.7 | -173.5 | 0 | 110.6 | S160 | K124-S160 PolarHBondContact O-N 3.42Å |
| 125 | Q | 83.3 | Confident | 85.3 | Confident | 64 Ų | 64 | 72 Ų | 72 | 30% | 0.299 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 123.1 | 162.5 | -178.1 | -169 | -9.6 | 0 | 0 | 109.7 | I158 F159 | Q125-I158 CarbonylContact C-O 3.2Å; Q125-I158 WeakPolarHBondContact CA-O 3.31Å; Q125-F159 HydrophobicContact CB-CD1 4.29Å; Q125-F159 HydrophobicContact CB-CE1 4.33Å; Q125-F159 HydrophobicContact CG-CD1 4.31Å; Q125-F159 HydrophobicContact CG-CE1 4.09Å |
| 126 | E | 84.9 | Confident | 85.5 | Confident | 88 Ų | 88 | 69.7 Ų | 69.7 | 41% | 0.411 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 151 | 172.6 | -69.4 | -177.8 | -161.9 | 0 | 0 | 111.4 | S128 I158 S160 | E126-S128 PolarHBondContact O-N 2.87Å; E126-I158 HydrophobicContact CB-CB 3.96Å; E126-I158 HydrophobicContact CB-CG2 3.89Å; E126-I158 HydrophobicContact CG-CG2 4.45Å; E126-I158 PolarHBondContact N-O 3.4Å; E126-S160 WeakPolarHBondContact CG-OG 3.38Å; E126-S160 WeakPolarHBondContact OE1-CB 3.36Å; E126-S160 PolarHBondContact OE1-OG 3.35Å |
| 127 | Q | 80.8 | Confident | 85.6 | Confident | 170 Ų | 170 | 72.8 Ų | 72.8 | 79% | 0.794 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -73.9 | 121.9 | 176.8 | -174.8 | 175 | -7.2 | 0 | 0 | 109.3 | ||
| 128 | S | 83.5 | Confident | 86.1 | Confident | 24 Ų | 24 | 69.2 Ų | 69.2 | 17% | 0.168 | 36% | 0.355 | C | S | . | . | trans | -107.2 | 128.9 | 174.4 | -159.5 | 0 | 0 | 0 | 0 | 110.4 | E126 S156 | E126-S128 PolarHBondContact O-N 2.87Å; S128-S156 WeakPolarHBondContact CB-OG 3.33Å; S128-S156 WeakPolarHBondContact OG-CB 3.37Å; S128-S156 PolarHBondContact OG-OG 2.98Å | ||
| 129 | L | 85.6 | Confident | 86.6 | Confident | 150 Ų | 150 | 63.9 Ų | 63.9 | 79% | 0.785 | 34% | 0.339 | S | S | * | . | trans | -101.3 | 16.7 | -176.9 | -70.9 | 161.3 | 0 | 0 | 0 | 112.4 | ||||
| 130 | K | 89.1 | Confident | 87 | Confident | 115 Ų | 115 | 62.7 Ų | 62.7 | 50% | 0.5 | 33% | 0.333 | S | S | . | . | trans | -71.7 | 135.7 | 179.4 | -60.9 | -71.3 | -174.1 | -177.7 | 0 | 110.2 | F57 W59 P155 S156 | F57-K130 HydrophobicContact CE2-CG 4.48Å; F57-K130 HydrophobicContact CZ-CG 4.08Å; W59-K130 HydrophobicContact CG-CB 4.47Å; K130-P155 WeakPolarHBondContact O-CB 3.3Å; K130-S156 WeakPolarHBondContact CB-OG 3.32Å; K130-S156 PolarHBondContact N-OG 3.4Å | ||
| 131 | Q | 89.2 | Confident | 87.4 | Confident | 173 Ų | 173 | 63.4 Ų | 63.4 | 81% | 0.808 | 34% | 0.338 | S | S | * | . | trans | -77.6 | 154.4 | 171.6 | -64.9 | 179.4 | -15.1 | 0 | 0 | 110.4 | W59 | W59-Q131 PolarHBondContact NE1-O 3.1Š| ||
| 132 | G | 91.2 | Very high | 87.8 | Confident | 38 Ų | 38 | 63 Ų | 63 | 39% | 0.392 | 34% | 0.336 | S | S | . | . | S | Bend | trans | 157.6 | -165 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | N60 P134 | N60-G132 CarbonylContact O-C 3.57Å; N60-G132 WeakPolarHBondContact O-CA 3.39Å; G132-P134 WeakPolarHBondContact O-CD 3.45Å |
| 133 | A | 92 | Very high | 88 | Confident | 20 Ų | 20 | 64.1 Ų | 64.1 | 17% | 0.165 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -84.9 | 118.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | N60 E62 L135 | N60-A133 WeakPolarHBondContact CB-O 3.43Å; N60-A133 PolarHBondContact ND2-O 2.68Å; N60-A133 PolarHBondContact O-N 3.08Å; E62-A133 HydrophobicContact CG-CB 4.23Å; A133-L135 PolarHBondContact O-N 3.13Å |
| 134 | P | 93.6 | Very high | 88.3 | Confident | 77 Ų | 77 | 63.2 Ų | 63.2 | 50% | 0.5 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 134 | -178.8 | -22.4 | 32.9 | 0 | 0 | 0 | 112.7 | G132 P155 | G132-P134 WeakPolarHBondContact O-CD 3.45Å; P134-P155 HydrophobicContact CG-CG 4.31Å |
| 135 | L | 95 | Very high | 88.2 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 146.4 | 167.4 | -62.1 | 169.8 | 0 | 0 | 0 | 109.4 | F34 R38 V58 N60 F90 A133 T138 G153 A154 F157 | F34-L135 HydrophobicContact CE1-CD1 4.44Å; F34-L135 HydrophobicContact CZ-CD1 4.43Å; R38-L135 HydrophobicContact CB-CD2 4.02Å; R38-L135 HydrophobicContact CG-CD2 4.15Å; V58-L135 HydrophobicContact CG1-CD1 4.11Å; N60-L135 HydrophobicContact CB-CD1 4.17Å; N60-L135 HydrophobicContact CB-CD2 3.74Å; N60-L135 HydrophobicContact CB-CG 3.8Å; N60-L135 WeakPolarHBondContact ND2-CD2 3.45Å; F90-L135 HydrophobicContact CE1-CD1 4.46Å; F90-L135 HydrophobicContact CE1-CD2 3.84Å; F90-L135 HydrophobicContact CZ-CD1 3.91Å; F90-L135 HydrophobicContact CZ-CD2 4.13Å; F90-L135 HydrophobicContact CZ-CG 4.45Å; A133-L135 PolarHBondContact O-N 3.13Å; L135-T138 HydrophobicContact CB-CG2 3.7Å; L135-G153 WeakPolarHBondContact O-CA 3.27Å; L135-A154 PolarHBondContact N-O 2.89Å; L135-F157 HydrophobicContact CB-CE2 4.14Å; L135-F157 HydrophobicContact CD1-CD2 4.13Å; L135-F157 HydrophobicContact CD1-CE2 3.97Å |
| 136 | I | 93.2 | Very high | 88.1 | Confident | 76 Ų | 76 | 59.1 Ų | 59.1 | 39% | 0.39 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 152.1 | -171.6 | -53.9 | 162.5 | 0 | 0 | 0 | 109.3 | G36 Q37 N39 L87 T138 | G36-I136 CarbonylContact C-O 3.55Å; Q37-I136 HydrophobicContact CB-CB 4.25Å; Q37-I136 PolarHBondContact N-O 3.22Å; Q37-I136 PolarHBondContact O-N 2.95Å; N39-I136 HydrophobicContact CB-CD1 4.41Å; L87-I136 HydrophobicContact CD1-CD1 4.21Å; I136-T138 PolarHBondContact O-N 3.17Å; I136-T138 VanDerWaalsContact O-N 3.12Å |
| 137 | A | 93.3 | Very high | 88.1 | Confident | 64 Ų | 64 | 61 Ų | 61 | 53% | 0.529 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 52.3 | 37.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q37 | Q37-A137 HydrophobicContact CG-CB 4.36Å |
| 138 | T | 94.8 | Very high | 88.4 | Confident | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.018 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 137.5 | -176 | 41.7 | 0 | 0 | 0 | 0 | 111.8 | F34 C35 L135 I136 L151 P152 F157 | F34-T138 HydrophobicContact CE2-CG2 4.02Å; F34-T138 HydrophobicContact CZ-CG2 3.81Å; C35-T138 CarbonylContact O-C 3.47Å; C35-T138 VanDerWaalsContact O-CA 3.26Å; C35-T138 WeakPolarHBondContact O-CA 3.47Å; L135-T138 HydrophobicContact CB-CG2 3.7Å; I136-T138 PolarHBondContact O-N 3.17Å; I136-T138 VanDerWaalsContact O-N 3.12Å; T138-L151 PolarHBondContact O-N 2.92Å; T138-L151 PolarHBondContact OG1-O 3.29Å; T138-P152 PolarHBondContact OG1-O 2.88Å; T138-F157 HydrophobicContact CG2-CE1 4.47Å; T138-F157 HydrophobicContact CG2-CE2 3.91Å; T138-F157 HydrophobicContact CG2-CZ 3.67Å |
| 139 | S | 93.8 | Very high | 88.7 | Confident | 21 Ų | 21 | 60.1 Ų | 60.1 | 15% | 0.147 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 149 | 178.5 | 56.8 | 0 | 0 | 0 | 0 | 111.1 | F34 C35 N148 T149 | F34-S139 CarbonylContact C-O 3.49Å; F34-S139 WeakPolarHBondContact CA-O 3.43Å; F34-S139 WeakPolarHBondContact CD2-O 3.49Å; C35-S139 PolarHBondContact N-O 3.42Å; C35-S139 PolarHBondContact O-N 3.3Å; S139-N148 WeakPolarHBondContact CB-OD1 3.01Å; S139-T149 CarbonylContact C-O 3.48Å; S139-T149 VanDerWaalsContact CA-O 3.24Å; S139-T149 WeakPolarHBondContact CA-O 3.43Å |
| 140 | V | 92.7 | Very high | 89 | Confident | 9 Ų | 9 | 57.9 Ų | 57.9 | 6% | 0.055 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 142.9 | -177.9 | 69.2 | 0 | 0 | 0 | 0 | 110.9 | F32 R33 F34 T149 L151 F159 | F32-V140 HydrophobicContact CD2-CG2 4.34Å; F32-V140 HydrophobicContact CE2-CG2 3.63Å; F32-V140 HydrophobicContact CZ-CG2 4.07Å; R33-V140 CarbonylContact O-C 3.43Å; R33-V140 WeakPolarHBondContact O-CA 3.32Å; F34-V140 HydrophobicContact CD2-CB 4.38Å; V140-T149 PolarHBondContact N-O 2.93Å; V140-T149 PolarHBondContact O-N 2.85Å; V140-L151 HydrophobicContact CB-CD1 3.99Å; V140-L151 HydrophobicContact CG1-CD1 3.77Å; V140-L151 HydrophobicContact CG1-CD2 3.93Å; V140-L151 HydrophobicContact CG1-CG 3.98Å; V140-F159 HydrophobicContact CB-CE1 4.24Å; V140-F159 HydrophobicContact CG1-CE1 4.47Å; V140-F159 HydrophobicContact CG2-CD1 4.4Å; V140-F159 HydrophobicContact CG2-CE1 3.95Å; V140-F159 HydrophobicContact CG2-CZ 4.37Å |
| 141 | S | 90.3 | Very high | 89.1 | Confident | 21 Ų | 21 | 53.4 Ų | 53.4 | 15% | 0.147 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 150.1 | 168.3 | 53.5 | 0 | 0 | 0 | 0 | 109.1 | R33 | R33-S141 PolarHBondContact N-O 3.38Å; R33-S141 PolarHBondContact O-N 3.26Å |
| 142 | S | 87.5 | Confident | 89.2 | Confident | 4 Ų | 4 | 50 Ų | 50 | 3% | 0.028 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 170 | 178.4 | 61.5 | 0 | 0 | 0 | 0 | 110.3 | D31 F122 Q144 I145 P146 | D31-S142 CarbonylContact O-C 3.54Å; D31-S142 VanDerWaalsContact O-CA 3.27Å; D31-S142 WeakPolarHBondContact O-CA 3.49Å; F122-S142 WeakPolarHBondContact CD1-OG 3.01Å; S142-Q144 VanDerWaalsContact C-N 3.26Å; S142-Q144 PolarHBondContact O-N 3.14Å; S142-I145 PolarHBondContact N-O 2.91Å; S142-I145 CarbonylContact O-C 3.54Å; S142-I145 PolarHBondContact O-N 2.99Å; S142-I145 PolarHBondContact OG-N 2.71Å; S142-I145 VanDerWaalsContact OG-N 3.14Å; S142-P146 VanDerWaalsContact O-CA 3.28Å; S142-P146 WeakPolarHBondContact O-CA 3.27Å; S142-P146 VanDerWaalsContact O-N 3.12Å |
| 143 | W | 81.7 | Confident | 89.2 | Confident | 40 Ų | 40 | 50.7 Ų | 50.7 | 15% | 0.152 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -57.3 | -40.5 | 175.2 | -171.7 | -108.3 | 0 | 0 | 0 | 112.5 | P28 D31 S220 L222 | P28-W143 HydrophobicContact CB-CE3 4.48Å; D31-W143 PolarHBondContact O-N 3.2Å; W143-S220 PolarHBondContact NE1-O 3.47Å; W143-S220 VanDerWaalsContact NE1-O 3.13Å; W143-L222 HydrophobicContact CH2-CD1 4.43Å; W143-L222 HydrophobicContact CZ3-CB 4.47Å; W143-L222 HydrophobicContact CZ3-CD1 4.05Å |
| 144 | Q | 76.9 | Confident | 89.3 | Confident | 34 Ų | 34 | 50.9 Ų | 50.9 | 16% | 0.159 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -77.4 | -23.2 | 179.4 | -68.3 | 78.9 | 11.9 | 0 | 0 | 114 | C121 S142 K167 D175 | C121-Q144 VanDerWaalsContact CB-NE2 3.34Å; C121-Q144 PolarHBondContact SG-NE2 3.27Å; C121-Q144 VanDerWaalsContact SG-NE2 3.36Å; S142-Q144 VanDerWaalsContact C-N 3.26Å; S142-Q144 PolarHBondContact O-N 3.14Å; Q144-K167 PolarHBondContact O-NZ 2.03Å; Q144-D175 VanDerWaalsContact CG-OD1 3.26Å; Q144-D175 WeakPolarHBondContact CG-OD1 3.1Å; Q144-D175 PolarHBondContact NE2-OD1 3.45Å |
| 145 | I | 80.5 | Confident | 89.3 | Confident | 48 Ų | 48 | 48.7 Ų | 48.7 | 25% | 0.246 | 30% | 0.3 | C | S | . | . | trans | -131.5 | 76.4 | 178.3 | -50.4 | 177.3 | 0 | 0 | 0 | 106.7 | F122 S142 Q147 | F122-I145 HydrophobicContact CD1-CD1 4.1Å; F122-I145 HydrophobicContact CE1-CD1 4.04Å; S142-I145 PolarHBondContact N-O 2.91Å; S142-I145 CarbonylContact O-C 3.54Å; S142-I145 PolarHBondContact O-N 2.99Å; S142-I145 PolarHBondContact OG-N 2.71Å; S142-I145 VanDerWaalsContact OG-N 3.14Å; I145-Q147 PolarHBondContact O-N 3.46Å | ||
| 146 | P | 80.8 | Confident | 89.4 | Confident | 66 Ų | 66 | 48.8 Ų | 48.8 | 43% | 0.429 | 30% | 0.301 | S | S | . | . | trans | -69 | -16.6 | -173.8 | 28 | -36.2 | 0 | 0 | 0 | 112.4 | P28 S142 | P28-P146 HydrophobicContact CG-CB 3.79Å; S142-P146 VanDerWaalsContact O-CA 3.28Å; S142-P146 WeakPolarHBondContact O-CA 3.27Å; S142-P146 VanDerWaalsContact O-N 3.12Å | ||
| 147 | Q | 84.5 | Confident | 89.4 | Confident | 127 Ų | 127 | 45.2 Ų | 45.2 | 59% | 0.593 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -68.5 | 133.8 | 175.1 | -60 | 84.1 | 0.1 | 0 | 0 | 110.9 | I145 T149 | I145-Q147 PolarHBondContact O-N 3.46Å; Q147-T149 PolarHBondContact O-N 2.88Å; Q147-T149 VanDerWaalsContact O-N 3.14Å; Q147-T149 PolarHBondContact O-OG1 3.1Å |
| 148 | N | 87.2 | Confident | 89.5 | Confident | 117 Ų | 117 | 43.5 Ų | 43.5 | 63% | 0.626 | 26% | 0.264 | S | S | * | . | trans | -71.3 | 108 | 174.9 | -166.5 | 10.6 | 0 | 0 | 0 | 110.1 | S139 | S139-N148 WeakPolarHBondContact CB-OD1 3.01Š| ||
| 149 | T | 89.5 | Confident | 89.3 | Confident | 60 Ų | 60 | 43.3 Ų | 43.3 | 37% | 0.368 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 117.1 | -173.4 | -55.2 | 0 | 0 | 0 | 0 | 109.8 | S139 V140 Q147 L151 | S139-T149 CarbonylContact C-O 3.48Å; S139-T149 VanDerWaalsContact CA-O 3.24Å; S139-T149 WeakPolarHBondContact CA-O 3.43Å; V140-T149 PolarHBondContact N-O 2.93Å; V140-T149 PolarHBondContact O-N 2.85Å; Q147-T149 PolarHBondContact O-N 2.88Å; Q147-T149 VanDerWaalsContact O-N 3.14Å; Q147-T149 PolarHBondContact O-OG1 3.1Å; T149-L151 HydrophobicContact CG2-CD2 4.39Å |
| 150 | S | 92.2 | Very high | 89 | Confident | 102 Ų | 102 | 42.7 Ų | 42.7 | 71% | 0.713 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 134.6 | 175.8 | 56.8 | 0 | 0 | 0 | 0 | 111.2 | ||
| 151 | L | 91.7 | Very high | 88.3 | Confident | 21 Ų | 21 | 42.4 Ų | 42.4 | 11% | 0.11 | 26% | 0.257 | C | S | . | . | trans | -113 | 145.7 | 179 | -55.5 | -177.2 | 0 | 0 | 0 | 110.7 | F34 T138 V140 T149 F157 F159 | F34-L151 HydrophobicContact CD2-CD1 4.48Å; F34-L151 HydrophobicContact CE2-CD1 4.2Å; T138-L151 PolarHBondContact O-N 2.92Å; T138-L151 PolarHBondContact OG1-O 3.29Å; V140-L151 HydrophobicContact CB-CD1 3.99Å; V140-L151 HydrophobicContact CG1-CD1 3.77Å; V140-L151 HydrophobicContact CG1-CD2 3.93Å; V140-L151 HydrophobicContact CG1-CG 3.98Å; T149-L151 HydrophobicContact CG2-CD2 4.39Å; L151-F157 HydrophobicContact CB-CE1 4.01Å; L151-F157 HydrophobicContact CD1-CD1 4.02Å; L151-F157 HydrophobicContact CD1-CE1 4.08Å; L151-F159 HydrophobicContact CD1-CE1 3.81Å; L151-F159 HydrophobicContact CD1-CZ 3.88Å | ||
| 152 | P | 91.7 | Very high | 87.1 | Confident | 103 Ų | 103 | 45.2 Ų | 45.2 | 67% | 0.669 | 27% | 0.268 | S | S | * | . | trans | -58.1 | 140.7 | 172.4 | -21.2 | 32.4 | 0 | 0 | 0 | 111.4 | T138 A154 F157 | T138-P152 PolarHBondContact OG1-O 2.88Å; P152-A154 PolarHBondContact O-N 2.93Å; P152-F157 WeakPolarHBondContact O-CZ 3.31Å | ||
| 153 | G | 91.1 | Very high | 85.6 | Confident | 52 Ų | 52 | 49.2 Ų | 49.2 | 54% | 0.536 | 29% | 0.289 | S | S | . | . | trans | -63.4 | 124.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | L135 | L135-G153 WeakPolarHBondContact O-CA 3.27Š| ||
| 154 | A | 93.6 | Very high | 84.1 | Confident | 24 Ų | 24 | 49.2 Ų | 49.2 | 20% | 0.198 | 30% | 0.298 | C | S | . | . | trans | -143.1 | 156.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | L135 P152 S156 F157 | L135-A154 PolarHBondContact N-O 2.89Å; P152-A154 PolarHBondContact O-N 2.93Å; A154-S156 PolarHBondContact O-N 3.45Å; A154-F157 HydrophobicContact CB-CE1 4.3Å; A154-F157 HydrophobicContact CB-CE2 4.08Å; A154-F157 HydrophobicContact CB-CZ 3.8Å; A154-F157 VanDerWaalsContact O-CE2 3.28Å; A154-F157 WeakPolarHBondContact O-CE2 3.38Å | ||
| 155 | P | 94.3 | Very high | 82.9 | Confident | 30 Ų | 30 | 50.3 Ų | 50.3 | 20% | 0.195 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -68.4 | -22.9 | 174.1 | -19.1 | 32 | 0 | 0 | 0 | 113.1 | N60 K130 P134 | N60-P155 PolarHBondContact N-O 3.3Å; K130-P155 WeakPolarHBondContact O-CB 3.3Å; P134-P155 HydrophobicContact CG-CG 4.31Å |
| 156 | S | 95.3 | Very high | 81.4 | Confident | 3 Ų | 3 | 55.6 Ų | 55.6 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 149.2 | -174.8 | 53.1 | 0 | 0 | 0 | 0 | 113.1 | V58 S128 K130 A154 | V58-S156 CarbonylContact O-C 3.23Å; V58-S156 WeakPolarHBondContact O-CA 3.39Å; S128-S156 WeakPolarHBondContact CB-OG 3.33Å; S128-S156 WeakPolarHBondContact OG-CB 3.37Å; S128-S156 PolarHBondContact OG-OG 2.98Å; K130-S156 WeakPolarHBondContact CB-OG 3.32Å; K130-S156 PolarHBondContact N-OG 3.4Å; A154-S156 PolarHBondContact O-N 3.45Å |
| 157 | F | 95.2 | Very high | 80.1 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 0% | 0.004 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 133.6 | -179.3 | -64 | -94.5 | 0 | 0 | 0 | 109.4 | F34 F57 V58 L135 T138 L151 P152 A154 F159 | F34-F157 HydrophobicContact CE1-CD2 4.5Å; F34-F157 HydrophobicContact CE2-CD1 4.27Å; F34-F157 HydrophobicContact CE2-CD2 4.45Å; F34-F157 HydrophobicContact CE2-CE1 4.49Å; F34-F157 HydrophobicContact CE2-CG 4.26Å; F34-F157 HydrophobicContact CZ-CB 4.49Å; F34-F157 HydrophobicContact CZ-CD1 4.33Å; F34-F157 AromaticContact CZ-CD2 3.73Å; F34-F157 HydrophobicContact CZ-CD2 3.73Å; F34-F157 HydrophobicContact CZ-CE2 4.02Å; F34-F157 AromaticContact CZ-CG 3.92Å; F34-F157 HydrophobicContact CZ-CG 3.92Å; F34-F157 HydrophobicContact CZ-CZ 4.44Å; F57-F157 WeakPolarHBondContact CA-O 3.46Å; F57-F157 WeakPolarHBondContact CD2-O 3.41Å; V58-F157 PolarHBondContact N-O 3.2Å; V58-F157 PolarHBondContact O-N 3.08Å; L135-F157 HydrophobicContact CB-CE2 4.14Å; L135-F157 HydrophobicContact CD1-CD2 4.13Å; L135-F157 HydrophobicContact CD1-CE2 3.97Å; T138-F157 HydrophobicContact CG2-CE1 4.47Å; T138-F157 HydrophobicContact CG2-CE2 3.91Å; T138-F157 HydrophobicContact CG2-CZ 3.67Å; L151-F157 HydrophobicContact CB-CE1 4.01Å; L151-F157 HydrophobicContact CD1-CD1 4.02Å; L151-F157 HydrophobicContact CD1-CE1 4.08Å; P152-F157 WeakPolarHBondContact O-CZ 3.31Å; A154-F157 HydrophobicContact CB-CE1 4.3Å; A154-F157 HydrophobicContact CB-CE2 4.08Å; A154-F157 HydrophobicContact CB-CZ 3.8Å; A154-F157 VanDerWaalsContact O-CE2 3.28Å; A154-F157 WeakPolarHBondContact O-CE2 3.38Å; F157-F159 HydrophobicContact CB-CD2 4.4Å; F157-F159 HydrophobicContact CB-CE2 3.65Å; F157-F159 HydrophobicContact CB-CZ 3.81Å; F157-F159 HydrophobicContact CD1-CZ 4.2Å; F157-F159 HydrophobicContact CG-CE2 4.46Å; F157-F159 HydrophobicContact CG-CZ 4.27Å |
| 158 | I | 93.7 | Very high | 78.4 | Confident | 27 Ų | 27 | 59.9 Ų | 59.9 | 14% | 0.138 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 122.4 | 172.8 | -64 | 164.6 | 0 | 0 | 0 | 107.5 | H55 F57 Q125 E126 | H55-I158 HydrophobicContact CB-CG2 4.25Å; F57-I158 HydrophobicContact CD2-CD1 4.35Å; F57-I158 HydrophobicContact CD2-CG1 3.49Å; F57-I158 VanDerWaalsContact CD2-CG1 3.49Å; F57-I158 HydrophobicContact CE2-CG1 4.01Å; Q125-I158 CarbonylContact C-O 3.2Å; Q125-I158 WeakPolarHBondContact CA-O 3.31Å; E126-I158 HydrophobicContact CB-CB 3.96Å; E126-I158 HydrophobicContact CB-CG2 3.89Å; E126-I158 HydrophobicContact CG-CG2 4.45Å; E126-I158 PolarHBondContact N-O 3.4Å |
| 159 | F | 92.1 | Very high | 76.2 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 105.7 | 177.6 | -63.7 | -65.1 | 0 | 0 | 0 | 108.3 | F32 F34 H55 I56 F122 Q125 V140 L151 F157 F161 | F32-F159 HydrophobicContact CE2-CB 4.14Å; F32-F159 HydrophobicContact CE2-CD1 4.18Å; F32-F159 HydrophobicContact CE2-CD2 4.26Å; F32-F159 AromaticContact CE2-CG 3.92Å; F32-F159 HydrophobicContact CE2-CG 3.92Å; F32-F159 HydrophobicContact CZ-CB 4.21Å; F32-F159 HydrophobicContact CZ-CD1 4.29Å; F32-F159 AromaticContact CZ-CD2 3.63Å; F32-F159 HydrophobicContact CZ-CD2 3.63Å; F32-F159 HydrophobicContact CZ-CE2 4Å; F32-F159 AromaticContact CZ-CG 3.77Å; F32-F159 HydrophobicContact CZ-CG 3.77Å; F32-F159 HydrophobicContact CZ-CZ 4.48Å; F34-F159 HydrophobicContact CB-CE2 4.25Å; F34-F159 HydrophobicContact CB-CZ 4.46Å; F34-F159 HydrophobicContact CD1-CE2 4.12Å; F34-F159 AromaticContact CD2-CE2 3.78Å; F34-F159 HydrophobicContact CD2-CE2 3.78Å; F34-F159 AromaticContact CD2-CZ 3.43Å; F34-F159 HydrophobicContact CD2-CZ 3.43Å; F34-F159 VanDerWaalsContact CD2-CZ 3.43Å; F34-F159 HydrophobicContact CE1-CE2 4.42Å; F34-F159 HydrophobicContact CE2-CE2 4.1Å; F34-F159 AromaticContact CE2-CZ 3.68Å; F34-F159 HydrophobicContact CE2-CZ 3.68Å; F34-F159 AromaticContact CG-CE2 3.78Å; F34-F159 HydrophobicContact CG-CE2 3.78Å; F34-F159 AromaticContact CG-CZ 3.91Å; F34-F159 HydrophobicContact CG-CZ 3.91Å; F34-F159 HydrophobicContact CZ-CE2 4.4Å; F34-F159 HydrophobicContact CZ-CZ 4.35Å; H55-F159 CarbonylContact C-O 3.55Å; H55-F159 VanDerWaalsContact CA-O 3.22Å; H55-F159 WeakPolarHBondContact CA-O 3.21Å; H55-F159 WeakPolarHBondContact CB-O 3.41Å; I56-F159 HydrophobicContact CB-CB 4.22Å; I56-F159 HydrophobicContact CG2-CD2 4.37Å; I56-F159 PolarHBondContact N-O 2.99Å; I56-F159 PolarHBondContact O-N 3.38Å; F122-F159 HydrophobicContact CD2-CB 4.23Å; F122-F159 HydrophobicContact CE2-CB 3.65Å; F122-F159 AromaticContact CE2-CD1 3.56Å; F122-F159 HydrophobicContact CE2-CD1 3.56Å; F122-F159 HydrophobicContact CE2-CG 4.02Å; F122-F159 AromaticContact CZ-CD1 3.84Å; F122-F159 HydrophobicContact CZ-CD1 3.84Å; Q125-F159 HydrophobicContact CB-CD1 4.29Å; Q125-F159 HydrophobicContact CB-CE1 4.33Å; Q125-F159 HydrophobicContact CG-CD1 4.31Å; Q125-F159 HydrophobicContact CG-CE1 4.09Å; V140-F159 HydrophobicContact CB-CE1 4.24Å; V140-F159 HydrophobicContact CG1-CE1 4.47Å; V140-F159 HydrophobicContact CG2-CD1 4.4Å; V140-F159 HydrophobicContact CG2-CE1 3.95Å; V140-F159 HydrophobicContact CG2-CZ 4.37Å; L151-F159 HydrophobicContact CD1-CE1 3.81Å; L151-F159 HydrophobicContact CD1-CZ 3.88Å; F157-F159 HydrophobicContact CB-CD2 4.4Å; F157-F159 HydrophobicContact CB-CE2 3.65Å; F157-F159 HydrophobicContact CB-CZ 3.81Å; F157-F159 HydrophobicContact CD1-CZ 4.2Å; F157-F159 HydrophobicContact CG-CE2 4.46Å; F157-F159 HydrophobicContact CG-CZ 4.27Å; F159-F161 HydrophobicContact CB-CE2 4.18Å; F159-F161 HydrophobicContact CB-CZ 4.49Å; F159-F161 VanDerWaalsContact O-CD2 3.31Å; F159-F161 WeakPolarHBondContact O-CD2 3.47Å; F159-F161 WeakPolarHBondContact O-CE2 3.42Å |
| 160 | S | 86.5 | Confident | 74.4 | Confident | 8 Ų | 8 | 64.3 Ų | 64.3 | 6% | 0.056 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 135 | -175 | -63.5 | 0 | 0 | 0 | 0 | 111.1 | Q123 K124 E126 | Q123-S160 PolarHBondContact N-O 2.95Å; Q123-S160 VanDerWaalsContact N-O 3.13Å; K124-S160 PolarHBondContact O-N 3.42Å; E126-S160 WeakPolarHBondContact CG-OG 3.38Å; E126-S160 WeakPolarHBondContact OE1-CB 3.36Å; E126-S160 PolarHBondContact OE1-OG 3.35Å |
| 161 | F | 78.1 | Confident | 72.6 | Confident | 2 Ų | 2 | 67.4 Ų | 67.4 | 1% | 0.009 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 139.2 | 174.3 | -54.8 | -98.7 | 0 | 0 | 0 | 108.7 | F32 P54 I56 W94 L120 C121 F122 F159 | F32-F161 HydrophobicContact CD2-CE1 4.34Å; F32-F161 AromaticContact CD2-CZ 3.97Å; F32-F161 HydrophobicContact CD2-CZ 3.97Å; F32-F161 HydrophobicContact CE2-CZ 4.23Å; F32-F161 HydrophobicContact CG-CZ 4.36Å; P54-F161 WeakPolarHBondContact O-CB 3.27Å; P54-F161 WeakPolarHBondContact O-CD2 3.41Å; P54-F161 PolarHBondContact O-N 2.93Å; I56-F161 HydrophobicContact CB-CE2 3.91Å; I56-F161 HydrophobicContact CD1-CE2 3.7Å; I56-F161 HydrophobicContact CD1-CZ 3.63Å; I56-F161 HydrophobicContact CG1-CE2 3.54Å; I56-F161 HydrophobicContact CG1-CZ 4.03Å; W94-F161 HydrophobicContact CE3-CE1 4.16Å; W94-F161 HydrophobicContact CZ3-CD1 4.22Å; W94-F161 AromaticContact CZ3-CE1 3.82Å; W94-F161 HydrophobicContact CZ3-CE1 3.82Å; L120-F161 HydrophobicContact CB-CB 3.89Å; L120-F161 HydrophobicContact CB-CD1 4.01Å; L120-F161 HydrophobicContact CB-CG 4.11Å; L120-F161 HydrophobicContact CD1-CB 4.48Å; L120-F161 HydrophobicContact CD2-CB 4.31Å; L120-F161 HydrophobicContact CG-CB 4.46Å; C121-F161 VanDerWaalsContact O-CA 3.29Å; C121-F161 WeakPolarHBondContact O-CA 3.22Å; F122-F161 HydrophobicContact CB-CD1 4.06Å; F122-F161 HydrophobicContact CB-CE1 3.76Å; F122-F161 HydrophobicContact CD2-CD1 4.5Å; F122-F161 AromaticContact CD2-CE1 3.96Å; F122-F161 HydrophobicContact CD2-CE1 3.96Å; F122-F161 HydrophobicContact CD2-CZ 4.01Å; F122-F161 HydrophobicContact CG-CE1 4.37Å; F159-F161 HydrophobicContact CB-CE2 4.18Å; F159-F161 HydrophobicContact CB-CZ 4.49Å; F159-F161 VanDerWaalsContact O-CD2 3.31Å; F159-F161 WeakPolarHBondContact O-CD2 3.47Å; F159-F161 WeakPolarHBondContact O-CE2 3.42Å |
| 162 | H | 64.4 | Low | 71.2 | Confident | 80 Ų | 80 | 70.8 Ų | 70.8 | 37% | 0.37 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 160 | 178.6 | -83.6 | -11.3 | 0 | 0 | 0 | 111.5 | C121 Q123 | C121-H162 PolarHBondContact O-N 2.64Å; Q123-H162 PolarHBondContact OE1-CD2 2.84Å; Q123-H162 PolarHBondContact OE1-NE2 3.36Å; Q123-H162 VanDerWaalsContact OE1-NE2 3.14Å |
| 163 | N | 57.4 | Low | 70.1 | Confident | 88 Ų | 88 | 68.8 Ų | 68.8 | 47% | 0.471 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -80.7 | 3.4 | 163.4 | -70.2 | -11.5 | 0 | 0 | 0 | 112.6 | ||
| 164 | A | 49.4 | Very low | 69.4 | Low | 41 Ų | 41 | 68 Ų | 68 | 34% | 0.339 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -131.7 | 141.5 | -165.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 165 | P | 52.1 | Low | 68.8 | Low | 57 Ų | 57 | 68.7 Ų | 68.7 | 37% | 0.37 | 39% | 0.389 | S | S | . | . | trans | -64.4 | 140.9 | 179 | 2.9 | -10.8 | 0 | 0 | 0 | 114.2 | D178 | P165-D178 VanDerWaalsContact CA-OD1 3.3Å; P165-D178 WeakPolarHBondContact CA-OD1 3.29Å; P165-D178 VanDerWaalsContact CB-CG 3.5Å; P165-D178 WeakPolarHBondContact CB-OD1 3.21Å; P165-D178 WeakPolarHBondContact CD-OD1 3.3Å; P165-D178 HydrophobicContact CG-CB 4.38Å; P165-D178 WeakPolarHBondContact CG-OD1 3.29Å | ||
| 166 | H | 49.2 | Very low | 68.4 | Low | 159 Ų | 159 | 67.4 Ų | 67.4 | 74% | 0.736 | 38% | 0.38 | S | S | * | . | trans | -129.8 | 53.2 | 154.7 | -116.6 | -79.1 | 0 | 0 | 0 | 109.4 | Q123 | Q123-H166 HydrophobicContact CG-CB 4.33Å; Q123-H166 PolarHBondContact NE2-CD2 2.9Å | ||
| 167 | K | 52.9 | Low | 67.7 | Low | 148 Ų | 148 | 67.5 Ų | 67.5 | 64% | 0.643 | 38% | 0.381 | S | S | * | . | trans | -144 | 143 | 167.3 | -77 | -163.9 | 177.9 | 174.9 | 0 | 113.2 | Q144 | Q144-K167 PolarHBondContact O-NZ 2.03Š| ||
| 168 | V | 49.9 | Very low | 67.2 | Low | 134 Ų | 134 | 69.3 Ų | 69.3 | 81% | 0.812 | 39% | 0.391 | S | S | * | . | trans | -76 | 141.1 | 176.1 | 175.7 | 0 | 0 | 0 | 0 | 109.3 | H170 | V168-H170 PolarHBondContact O-N 3.38Š| ||
| 169 | S | 39.4 | Very low | 66.9 | Low | 105 Ų | 105 | 68 Ų | 68 | 73% | 0.734 | 38% | 0.384 | S | S | * | . | trans | -55.5 | 103.9 | -175.6 | 65.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 170 | H | 53.1 | Low | 66.7 | Low | 165 Ų | 165 | 70 Ų | 70 | 76% | 0.764 | 39% | 0.393 | S | S | * | . | trans | -102.4 | 121.8 | 154.9 | -102.5 | -74 | 0 | 0 | 0 | 107.5 | V168 A172 | V168-H170 PolarHBondContact O-N 3.38Å; H170-A172 PolarHBondContact O-N 2.92Å | ||
| 171 | N | 54.6 | Low | 66.7 | Low | 167 Ų | 167 | 74.3 Ų | 74.3 | 89% | 0.893 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | 4.7 | 179.1 | -72 | -13.8 | 0 | 0 | 0 | 115 | ||
| 172 | A | 61.5 | Low | 67.2 | Low | 92 Ų | 92 | 77.8 Ų | 77.8 | 76% | 0.76 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -35.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | H170 | H170-A172 PolarHBondContact O-N 2.92Š|
| 173 | S | 67.9 | Low | 68.5 | Low | 62 Ų | 62 | 74 Ų | 74 | 43% | 0.434 | 41% | 0.409 | S | S | . | . | trans | -164.7 | 135.5 | 176.9 | 58.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 174 | V | 76.7 | Confident | 70.1 | Confident | 34 Ų | 34 | 72.6 Ų | 72.6 | 21% | 0.206 | 40% | 0.4 | C | S | . | . | B | Isolated β-bridge | trans | -77.5 | 133.1 | 173.8 | 174.4 | 0 | 0 | 0 | 0 | 109.6 | L179 K215 S218 S220 | V174-L179 HydrophobicContact CG1-CB 4.17Å; V174-K215 HydrophobicContact CG1-CB 4.24Å; V174-K215 HydrophobicContact CG1-CG 4.39Å; V174-K215 HydrophobicContact CG2-CB 4.26Å; V174-K215 HydrophobicContact CG2-CG 4.01Å; V174-S218 VanDerWaalsContact CG2-OG 3.3Å; V174-S218 WeakPolarHBondContact CG2-OG 3.38Å; V174-S220 PolarHBondContact O-N 2.93Å |
| 175 | D | 81.2 | Confident | 72.1 | Confident | 39 Ų | 39 | 75.5 Ų | 75.5 | 21% | 0.209 | 41% | 0.406 | C | S | . | . | trans | -74.1 | 141.4 | 175.5 | -175.4 | 82 | 0 | 0 | 0 | 111.2 | Q144 C177 D178 L179 | Q144-D175 VanDerWaalsContact CG-OD1 3.26Å; Q144-D175 WeakPolarHBondContact CG-OD1 3.1Å; Q144-D175 PolarHBondContact NE2-OD1 3.45Å; D175-C177 PolarHBondContact O-N 2.88Å; D175-C177 WeakPolarHBondContact OD2-CB 3.48Å; D175-C177 PolarHBondContact OD2-N 3.23Å; D175-D178 HydrophobicContact CB-CB 4.28Å; D175-D178 PolarHBondContact O-N 3.44Å; D175-D178 PolarHBondContact OD2-N 3.47Å; D175-L179 PolarHBondContact O-N 2.91Å | ||
| 176 | M | 85.3 | Confident | 74 | Confident | 4 Ų | 4 | 74.5 Ų | 74.5 | 2% | 0.02 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.1 | -38.6 | -177.1 | -67.6 | 170.5 | 61 | 0 | 0 | 112.8 | L119 K180 V219 S220 F221 L226 F228 | L119-M176 HydrophobicContact CD1-CB 4.14Å; L119-M176 HydrophobicContact CD1-CE 3.31Å; M176-K180 WeakPolarHBondContact O-CB 3.29Å; M176-K180 PolarHBondContact O-N 2.75Å; M176-V219 HydrophobicContact CB-CG2 4.44Å; M176-V219 HydrophobicContact CG-CG2 3.69Å; M176-S220 WeakPolarHBondContact CG-O 3.48Å; M176-F221 HydrophobicContact CE-CB 4.16Å; M176-F221 HydrophobicContact CG-CB 4.4Å; M176-F221 HydrophobicContact SD-CB 3.6Å; M176-L226 HydrophobicContact CE-CD1 3.47Å; M176-L226 VanDerWaalsContact CE-CD1 3.47Å; M176-L226 HydrophobicContact CE-CD2 3.87Å; M176-L226 HydrophobicContact CE-CG 4.34Å; M176-L226 HydrophobicContact CG-CD2 4.14Å; M176-L226 HydrophobicContact SD-CD2 4.41Å; M176-F228 WeakPolarHBondContact O-CE1 3.38Å |
| 177 | C | 82.2 | Confident | 76.1 | Confident | 5 Ų | 5 | 67.1 Ų | 67.1 | 3% | 0.034 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -75 | -31.4 | -178.4 | -72.3 | 0 | 0 | 0 | 0 | 112.2 | C121 D175 K180 K181 | C121-C177 HydrophobicContact CB-CB 3.79Å; C121-C177 WeakPolarHBondContact CB-SG 3.23Å; C121-C177 WeakPolarHBondContact SG-CB 3.38Å; C121-C177 CovalentContact SG-SG 2.02Å; C121-C177 PolarHBondContact SG-SG 3.48Å; D175-C177 PolarHBondContact O-N 2.88Å; D175-C177 WeakPolarHBondContact OD2-CB 3.48Å; D175-C177 PolarHBondContact OD2-N 3.23Å; C177-K180 WeakPolarHBondContact O-CB 3.46Å; C177-K180 PolarHBondContact O-N 3.47Å; C177-K181 PolarHBondContact O-N 2.99Å |
| 178 | D | 83 | Confident | 78 | Confident | 39 Ų | 39 | 66.2 Ų | 66.2 | 21% | 0.209 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.8 | -47.3 | 174.6 | -64.4 | -3 | 0 | 0 | 0 | 110.5 | P165 D175 K181 E182 | P165-D178 VanDerWaalsContact CA-OD1 3.3Å; P165-D178 WeakPolarHBondContact CA-OD1 3.29Å; P165-D178 VanDerWaalsContact CB-CG 3.5Å; P165-D178 WeakPolarHBondContact CB-OD1 3.21Å; P165-D178 WeakPolarHBondContact CD-OD1 3.3Å; P165-D178 HydrophobicContact CG-CB 4.38Å; P165-D178 WeakPolarHBondContact CG-OD1 3.29Å; D175-D178 HydrophobicContact CB-CB 4.28Å; D175-D178 PolarHBondContact O-N 3.44Å; D175-D178 PolarHBondContact OD2-N 3.47Å; D178-K181 PolarHBondContact O-N 3.42Å; D178-E182 PolarHBondContact O-N 3.45Å |
| 179 | L | 88.2 | Confident | 79.9 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.5 | -39.8 | 176.1 | -176.6 | 56.3 | 0 | 0 | 0 | 112.1 | V174 D175 K181 E182 L183 L212 K215 L216 V219 F228 | V174-L179 HydrophobicContact CG1-CB 4.17Å; D175-L179 PolarHBondContact O-N 2.91Å; L179-K181 VanDerWaalsContact C-N 3.31Å; L179-K181 PolarHBondContact O-N 3.28Å; L179-E182 PolarHBondContact O-N 2.9Å; L179-L183 HydrophobicContact CG-CD1 4.38Å; L179-L183 PolarHBondContact O-N 3.32Å; L179-L212 HydrophobicContact CD1-CD1 4Å; L179-K215 HydrophobicContact CD1-CB 3.86Å; L179-K215 HydrophobicContact CD1-CD 4.42Å; L179-K215 HydrophobicContact CD2-CB 4.5Å; L179-L216 HydrophobicContact CD2-CD2 3.81Å; L179-L216 HydrophobicContact CD2-CG 4.22Å; L179-V219 HydrophobicContact CD2-CB 4.14Å; L179-V219 HydrophobicContact CD2-CG1 4.47Å; L179-V219 HydrophobicContact CD2-CG2 4.23Å; L179-F228 HydrophobicContact CB-CE1 4.38Å; L179-F228 HydrophobicContact CB-CZ 4.29Å; L179-F228 HydrophobicContact CD2-CE1 4.44Å; L179-F228 HydrophobicContact CD2-CE2 3.73Å; L179-F228 HydrophobicContact CD2-CZ 3.68Å; L179-F228 HydrophobicContact CG-CE1 4.33Å; L179-F228 HydrophobicContact CG-CE2 4.32Å; L179-F228 HydrophobicContact CG-CZ 4.05Å |
| 180 | K | 87.9 | Confident | 82.4 | Confident | 42 Ų | 42 | 57.2 Ų | 57.2 | 18% | 0.183 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.8 | -45.2 | 173 | -176.7 | 68.8 | 169 | 164.6 | 0 | 110.9 | L119 M176 C177 L183 Q184 F228 E229 E230 | L119-K180 HydrophobicContact CD2-CB 3.98Å; L119-K180 HydrophobicContact CD2-CD 3.99Å; L119-K180 HydrophobicContact CD2-CG 3.96Å; M176-K180 WeakPolarHBondContact O-CB 3.29Å; M176-K180 PolarHBondContact O-N 2.75Å; C177-K180 WeakPolarHBondContact O-CB 3.46Å; C177-K180 PolarHBondContact O-N 3.47Å; K180-L183 PolarHBondContact O-N 3.25Å; K180-Q184 WeakPolarHBondContact O-CG 3.46Å; K180-Q184 PolarHBondContact O-N 2.83Å; K180-F228 HydrophobicContact CB-CD1 4.14Å; K180-F228 HydrophobicContact CB-CE1 4.2Å; K180-F228 HydrophobicContact CD-CD1 3.95Å; K180-E229 PolarHBondContact NZ-O 2.75Å; K180-E230 WeakPolarHBondContact CD-OE1 3.29Å; K180-E230 WeakPolarHBondContact CE-OE1 3.46Å; K180-E230 IonicContact NZ-OE1 3.22Å; K180-E230 PolarHBondContact NZ-OE1 3.24Å |
| 181 | K | 85.8 | Confident | 84.1 | Confident | 97 Ų | 97 | 53 Ų | 53 | 42% | 0.422 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.6 | -37.5 | 179.2 | -172.4 | 178.4 | 179.5 | -179.6 | 0 | 112.9 | C177 D178 L179 Q184 Q185 | C177-K181 PolarHBondContact O-N 2.99Å; D178-K181 PolarHBondContact O-N 3.42Å; L179-K181 VanDerWaalsContact C-N 3.31Å; L179-K181 PolarHBondContact O-N 3.28Å; K181-Q184 WeakPolarHBondContact O-CB 3.22Å; K181-Q184 PolarHBondContact O-N 3.29Å; K181-Q185 PolarHBondContact O-N 3.48Å |
| 182 | E | 89.7 | Confident | 85.7 | Confident | 76 Ų | 76 | 49.2 Ų | 49.2 | 36% | 0.355 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.7 | -42.9 | 173.9 | -72.8 | -175.7 | -164.7 | 0 | 0 | 111.8 | D178 L179 Q184 Q185 L186 K215 | D178-E182 PolarHBondContact O-N 3.45Å; L179-E182 PolarHBondContact O-N 2.9Å; E182-Q184 VanDerWaalsContact C-N 3.33Å; E182-Q184 PolarHBondContact O-N 2.95Å; E182-Q185 WeakPolarHBondContact O-CB 3.48Å; E182-Q185 PolarHBondContact O-N 2.68Å; E182-Q185 VanDerWaalsContact O-N 3.14Å; E182-L186 PolarHBondContact O-N 2.81Å; E182-K215 IonicContact OE1-NZ 2.81Å; E182-K215 PolarHBondContact OE1-NZ 3.25Å; E182-K215 VanDerWaalsContact OE2-CD 3.27Å; E182-K215 WeakPolarHBondContact OE2-CD 3.39Å; E182-K215 IonicContact OE2-NZ 2.89Å; E182-K215 PolarHBondContact OE2-NZ 3.45Å |
| 183 | L | 91.6 | Very high | 86.8 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.8 | -37 | 173.5 | -77 | 169.1 | 0 | 0 | 0 | 112.2 | L179 K180 Q185 L186 S187 L212 F228 E230 V233 A235 | L179-L183 HydrophobicContact CG-CD1 4.38Å; L179-L183 PolarHBondContact O-N 3.32Å; K180-L183 PolarHBondContact O-N 3.25Å; L183-Q185 VanDerWaalsContact C-N 3.33Å; L183-Q185 PolarHBondContact O-N 3.49Å; L183-L186 HydrophobicContact CD2-CD2 4.46Å; L183-L186 PolarHBondContact O-N 2.96Å; L183-S187 VanDerWaalsContact O-CB 3.29Å; L183-S187 WeakPolarHBondContact O-CB 3.4Å; L183-S187 PolarHBondContact O-N 3.2Å; L183-L212 HydrophobicContact CD2-CD1 3.77Å; L183-L212 HydrophobicContact CD2-CD2 4.25Å; L183-L212 HydrophobicContact CG-CD1 4.2Å; L183-F228 HydrophobicContact CD1-CB 3.3Å; L183-F228 HydrophobicContact CD1-CD1 4.05Å; L183-F228 HydrophobicContact CD1-CD2 4.09Å; L183-F228 HydrophobicContact CD1-CG 3.58Å; L183-E230 HydrophobicContact CB-CG 4.02Å; L183-V233 HydrophobicContact CD2-CG1 4.44Å; L183-V233 HydrophobicContact CD2-CG2 4.26Å; L183-A235 HydrophobicContact CD1-CB 4.13Å; L183-A235 HydrophobicContact CD2-CB 4.47Å |
| 184 | Q | 90.9 | Very high | 87.6 | Confident | 58 Ų | 58 | 52.8 Ų | 52.8 | 27% | 0.271 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.5 | -36.6 | 171.1 | -74.9 | 175.6 | -15 | 0 | 0 | 112.9 | K180 K181 E182 R188 E230 | K180-Q184 WeakPolarHBondContact O-CG 3.46Å; K180-Q184 PolarHBondContact O-N 2.83Å; K181-Q184 WeakPolarHBondContact O-CB 3.22Å; K181-Q184 PolarHBondContact O-N 3.29Å; E182-Q184 VanDerWaalsContact C-N 3.33Å; E182-Q184 PolarHBondContact O-N 2.95Å; Q184-R188 WeakPolarHBondContact O-CG 3.42Å; Q184-R188 PolarHBondContact O-N 3.47Å; Q184-R188 PolarHBondContact O-NE 3.37Å; Q184-E230 HydrophobicContact CG-CG 4.28Å; Q184-E230 WeakPolarHBondContact CG-OE1 3.48Å; Q184-E230 VanDerWaalsContact CG-OE2 3.31Å; Q184-E230 WeakPolarHBondContact CG-OE2 3.46Å; Q184-E230 PolarHBondContact NE2-OE1 3.36Å |
| 185 | Q | 90.9 | Very high | 87.9 | Confident | 102 Ų | 102 | 58.7 Ų | 58.7 | 48% | 0.477 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69 | -38.5 | 175 | -179.5 | 61.9 | 61.8 | 0 | 0 | 111.3 | K181 E182 L183 R188 Y189 | K181-Q185 PolarHBondContact O-N 3.48Å; E182-Q185 WeakPolarHBondContact O-CB 3.48Å; E182-Q185 PolarHBondContact O-N 2.68Å; E182-Q185 VanDerWaalsContact O-N 3.14Å; L183-Q185 VanDerWaalsContact C-N 3.33Å; L183-Q185 PolarHBondContact O-N 3.49Å; Q185-R188 VanDerWaalsContact OE1-NH1 3.14Å; Q185-Y189 PolarHBondContact O-N 3.49Å |
| 186 | L | 92.3 | Very high | 87.9 | Confident | 35 Ų | 35 | 58.7 Ų | 58.7 | 18% | 0.183 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.4 | -50.1 | 174.3 | -173.4 | 59.1 | 0 | 0 | 0 | 111 | E182 L183 R188 Y189 L190 L212 F293 L298 | E182-L186 PolarHBondContact O-N 2.81Å; L183-L186 HydrophobicContact CD2-CD2 4.46Å; L183-L186 PolarHBondContact O-N 2.96Å; L186-R188 VanDerWaalsContact C-N 3.32Å; L186-R188 PolarHBondContact O-N 3.45Å; L186-Y189 WeakPolarHBondContact O-CA 3.4Å; L186-Y189 WeakPolarHBondContact O-CB 3.31Å; L186-Y189 PolarHBondContact O-N 2.94Å; L186-L190 HydrophobicContact CG-CD1 4.25Å; L186-L190 HydrophobicContact CG-CG 4.43Å; L186-L190 WeakPolarHBondContact O-CG 3.42Å; L186-L190 PolarHBondContact O-N 3.4Å; L186-L212 HydrophobicContact CD2-CD2 4.21Å; L186-F293 HydrophobicContact CD2-CE1 3.99Å; L186-L298 HydrophobicContact CD1-CD1 4.1Å; L186-L298 HydrophobicContact CD1-CD2 4.42Å |
| 187 | S | 92.9 | Very high | 87.7 | Confident | 4 Ų | 4 | 63.7 Ų | 63.7 | 3% | 0.028 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -50.8 | -47.7 | 174.2 | 171.1 | 0 | 0 | 0 | 0 | 112.2 | L183 Y189 L190 Q191 D231 | L183-S187 VanDerWaalsContact O-CB 3.29Å; L183-S187 WeakPolarHBondContact O-CB 3.4Å; L183-S187 PolarHBondContact O-N 3.2Å; S187-Y189 VanDerWaalsContact C-N 3.29Å; S187-Y189 PolarHBondContact O-N 3Å; S187-L190 PolarHBondContact O-N 3.27Å; S187-L190 VanDerWaalsContact O-N 3.1Å; S187-Q191 WeakPolarHBondContact O-CG 3.31Å; S187-Q191 PolarHBondContact O-N 3.45Å; S187-D231 VanDerWaalsContact CB-O 3.23Å; S187-D231 WeakPolarHBondContact CB-O 3.43Å; S187-D231 PolarHBondContact OG-O 2.8Å |
| 188 | R | 92 | Very high | 87.7 | Confident | 129 Ų | 129 | 72 Ų | 72 | 49% | 0.487 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.2 | -36.8 | 175.3 | -80.8 | -175.4 | -73.6 | 139.5 | -3.2 | 113.6 | Q184 Q185 L186 | Q184-R188 WeakPolarHBondContact O-CG 3.42Å; Q184-R188 PolarHBondContact O-N 3.47Å; Q184-R188 PolarHBondContact O-NE 3.37Å; Q185-R188 VanDerWaalsContact OE1-NH1 3.14Å; L186-R188 VanDerWaalsContact C-N 3.32Å; L186-R188 PolarHBondContact O-N 3.45Å |
| 189 | Y | 91.9 | Very high | 87.7 | Confident | 46 Ų | 46 | 79.6 Ų | 79.6 | 18% | 0.18 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -68.4 | -44.4 | 173.7 | 171.1 | -100.1 | 0 | 0 | 0 | 111.3 | Q185 L186 S187 Q191 H192 P193 A196 P200 A297 L298 | Q185-Y189 PolarHBondContact O-N 3.49Å; L186-Y189 WeakPolarHBondContact O-CA 3.4Å; L186-Y189 WeakPolarHBondContact O-CB 3.31Å; L186-Y189 PolarHBondContact O-N 2.94Å; S187-Y189 VanDerWaalsContact C-N 3.29Å; S187-Y189 PolarHBondContact O-N 3Å; Y189-Q191 PolarHBondContact O-N 3.16Å; Y189-H192 CarbonylContact O-C 3.57Å; Y189-H192 VanDerWaalsContact O-C 3.23Å; Y189-H192 PolarHBondContact O-N 3.32Å; Y189-P193 HydrophobicContact CE2-CB 4.26Å; Y189-P193 VanDerWaalsContact O-CA 3.3Å; Y189-P193 WeakPolarHBondContact O-CA 3.2Å; Y189-P193 WeakPolarHBondContact O-CD 3.24Å; Y189-A196 HydrophobicContact CD2-CB 3.97Å; Y189-A196 HydrophobicContact CE2-CB 3.79Å; Y189-P200 HydrophobicContact CE2-CG 4.37Å; Y189-P200 WeakPolarHBondContact OH-CD 3.32Å; Y189-P200 WeakPolarHBondContact OH-CG 3.06Å; Y189-A297 HydrophobicContact CE1-CB 4.23Å; Y189-L298 HydrophobicContact CD1-CD2 4.28Å; Y189-L298 HydrophobicContact CE1-CD2 3.83Å |
| 190 | L | 90.4 | Very high | 87.5 | Confident | 5 Ų | 5 | 81.1 Ų | 81.1 | 3% | 0.026 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65 | -34.6 | -179.6 | -62.4 | 177.8 | 0 | 0 | 0 | 113.2 | L186 S187 H192 P193 R232 V233 F293 A297 L298 | L186-L190 HydrophobicContact CG-CD1 4.25Å; L186-L190 HydrophobicContact CG-CG 4.43Å; L186-L190 WeakPolarHBondContact O-CG 3.42Å; L186-L190 PolarHBondContact O-N 3.4Å; S187-L190 PolarHBondContact O-N 3.27Å; S187-L190 VanDerWaalsContact O-N 3.1Å; L190-H192 VanDerWaalsContact C-N 3.31Å; L190-H192 PolarHBondContact O-N 3.3Å; L190-P193 WeakPolarHBondContact O-CD 3.19Å; L190-R232 HydrophobicContact CB-CB 3.97Å; L190-R232 HydrophobicContact CD1-CB 4.28Å; L190-V233 HydrophobicContact CD1-CB 3.97Å; L190-V233 HydrophobicContact CD1-CG1 4.26Å; L190-F293 HydrophobicContact CD1-CD1 3.86Å; L190-F293 HydrophobicContact CD1-CE1 4.24Å; L190-A297 HydrophobicContact CD2-CB 3.93Å; L190-L298 HydrophobicContact CD2-CD1 4.32Å; L190-L298 HydrophobicContact CD2-CG 4Å |
| 191 | Q | 89.3 | Confident | 87.5 | Confident | 77 Ų | 77 | 83.5 Ų | 83.5 | 36% | 0.36 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.9 | -35 | 174.6 | -71.9 | 173.9 | 1.5 | 0 | 0 | 112.8 | S187 Y189 D231 R232 | S187-Q191 WeakPolarHBondContact O-CG 3.31Å; S187-Q191 PolarHBondContact O-N 3.45Å; Y189-Q191 PolarHBondContact O-N 3.16Å; Q191-D231 WeakPolarHBondContact CG-OD2 3.45Å; Q191-D231 PolarHBondContact NE2-OD2 3.48Å; Q191-R232 HydrophobicContact CG-CG 4.26Å |
| 192 | H | 88 | Confident | 87.6 | Confident | 86 Ų | 86 | 80.2 Ų | 80.2 | 40% | 0.398 | 40% | 0.398 | S | S | . | . | trans | -142.5 | 61.7 | -172.1 | -59.1 | 99.1 | 0 | 0 | 0 | 112.4 | Y189 L190 Q194 K195 | Y189-H192 CarbonylContact O-C 3.57Å; Y189-H192 VanDerWaalsContact O-C 3.23Å; Y189-H192 PolarHBondContact O-N 3.32Å; L190-H192 VanDerWaalsContact C-N 3.31Å; L190-H192 PolarHBondContact O-N 3.3Å; H192-Q194 PolarHBondContact O-N 2.92Å; H192-Q194 VanDerWaalsContact O-N 3.11Å; H192-K195 HydrophobicContact CB-CB 4.1Å; H192-K195 HydrophobicContact CB-CD 3.83Å; H192-K195 HydrophobicContact CB-CG 4.02Å; H192-K195 PolarHBondContact CD2-NZ 2.97Å; H192-K195 VanDerWaalsContact CD2-NZ 3.29Å; H192-K195 PolarHBondContact NE2-NZ 3.44Å; H192-K195 PolarHBondContact O-N 2.81Å | ||
| 193 | P | 85.7 | Confident | 87.4 | Confident | 45 Ų | 45 | 79.1 Ų | 79.1 | 29% | 0.292 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -61.8 | -28 | -176.1 | 24 | -33.9 | 0 | 0 | 0 | 112 | Y189 L190 K195 A196 A297 | Y189-P193 HydrophobicContact CE2-CB 4.26Å; Y189-P193 VanDerWaalsContact O-CA 3.3Å; Y189-P193 WeakPolarHBondContact O-CA 3.2Å; Y189-P193 WeakPolarHBondContact O-CD 3.24Å; L190-P193 WeakPolarHBondContact O-CD 3.19Å; P193-K195 VanDerWaalsContact C-N 3.32Å; P193-K195 PolarHBondContact O-N 2.88Å; P193-A196 WeakPolarHBondContact O-CB 3.43Å; P193-A196 PolarHBondContact O-N 3.38Å; P193-A297 HydrophobicContact CB-CB 4.16Å; P193-A297 HydrophobicContact CG-CB 4.31Å |
| 194 | Q | 83.4 | Confident | 87.3 | Confident | 184 Ų | 184 | 84 Ų | 84 | 86% | 0.86 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -69 | -23.2 | 177.3 | -55.4 | -67.8 | -8.9 | 0 | 0 | 113.8 | H192 A196 | H192-Q194 PolarHBondContact O-N 2.92Å; H192-Q194 VanDerWaalsContact O-N 3.11Å; Q194-A196 VanDerWaalsContact C-N 3.33Å |
| 195 | K | 84.3 | Confident | 87.2 | Confident | 159 Ų | 159 | 82.3 Ų | 82.3 | 69% | 0.691 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -84.8 | -7.9 | 178.8 | -68 | -177.5 | -176.7 | 164 | 0 | 112.7 | H192 P193 | H192-K195 HydrophobicContact CB-CB 4.1Å; H192-K195 HydrophobicContact CB-CD 3.83Å; H192-K195 HydrophobicContact CB-CG 4.02Å; H192-K195 PolarHBondContact CD2-NZ 2.97Å; H192-K195 VanDerWaalsContact CD2-NZ 3.29Å; H192-K195 PolarHBondContact NE2-NZ 3.44Å; H192-K195 PolarHBondContact O-N 2.81Å; P193-K195 VanDerWaalsContact C-N 3.32Å; P193-K195 PolarHBondContact O-N 2.88Å |
| 196 | A | 80.4 | Confident | 87.1 | Confident | 39 Ų | 39 | 78.5 Ų | 78.5 | 32% | 0.322 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -68.6 | 137.7 | 179 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y189 P193 Q194 K198 | Y189-A196 HydrophobicContact CD2-CB 3.97Å; Y189-A196 HydrophobicContact CE2-CB 3.79Å; P193-A196 WeakPolarHBondContact O-CB 3.43Å; P193-A196 PolarHBondContact O-N 3.38Å; Q194-A196 VanDerWaalsContact C-N 3.33Å; A196-K198 PolarHBondContact O-N 2.99Å; A196-K198 VanDerWaalsContact O-N 3.11Å |
| 197 | A | 81.9 | Confident | 87 | Confident | 109 Ų | 109 | 82.9 Ų | 82.9 | 90% | 0.901 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -60.6 | -25 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 198 | K | 80.9 | Confident | 86.9 | Confident | 180 Ų | 180 | 86.7 Ų | 86.7 | 78% | 0.783 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -142.5 | 143.3 | 177.1 | -64 | -176.4 | -178.5 | 179.8 | 0 | 109.4 | A196 | A196-K198 PolarHBondContact O-N 2.99Å; A196-K198 VanDerWaalsContact O-N 3.11Å |
| 199 | R | 82.5 | Confident | 86.8 | Confident | 198 Ų | 198 | 81 Ų | 81 | 75% | 0.747 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 122.2 | 165.5 | -169.5 | 173.6 | -175.7 | 177 | 0.6 | 108.1 | ||
| 200 | P | 85.1 | Confident | 86.7 | Confident | 32 Ų | 32 | 84.8 Ų | 84.8 | 21% | 0.208 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -65 | 144.2 | -179 | 25.7 | -32.2 | 0 | 0 | 0 | 110.7 | Y189 F204 I205 | Y189-P200 HydrophobicContact CE2-CG 4.37Å; Y189-P200 WeakPolarHBondContact OH-CD 3.32Å; Y189-P200 WeakPolarHBondContact OH-CG 3.06Å; P200-F204 HydrophobicContact CB-CD1 3.76Å; P200-F204 HydrophobicContact CB-CE1 4.41Å; P200-I205 HydrophobicContact CB-CD1 4.37Å; P200-I205 HydrophobicContact CB-CG1 3.98Å; P200-I205 HydrophobicContact CG-CD1 4.07Å; P200-I205 HydrophobicContact CG-CG1 4.06Å |
| 201 | T | 87.9 | Confident | 86.7 | Confident | 92 Ų | 92 | 86.3 Ų | 86.3 | 56% | 0.564 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -75.2 | 155.6 | 174.6 | 57.4 | 0 | 0 | 0 | 0 | 110.3 | A203 F204 I205 | T201-A203 VanDerWaalsContact C-N 3.27Å; T201-A203 PolarHBondContact O-N 3.31Å; T201-F204 WeakPolarHBondContact O-CB 3.48Å; T201-F204 PolarHBondContact O-N 2.92Å; T201-F204 WeakPolarHBondContact OG1-CB 3.33Å; T201-F204 PolarHBondContact OG1-N 3.34Å; T201-I205 WeakPolarHBondContact O-CG1 3.37Å; T201-I205 PolarHBondContact O-N 3.28Å |
| 202 | A | 86.7 | Confident | 86.9 | Confident | 27 Ų | 27 | 83.3 Ų | 83.3 | 22% | 0.223 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -55.7 | -42.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | F204 I205 S206 S357 T358 | A202-F204 VanDerWaalsContact C-N 3.34Å; A202-F204 PolarHBondContact O-N 2.83Å; A202-I205 PolarHBondContact O-N 2.86Å; A202-S206 WeakPolarHBondContact O-CB 3.37Å; A202-S206 PolarHBondContact O-N 3.42Å; A202-S357 WeakPolarHBondContact CB-O 3.07Å; A202-T358 HydrophobicContact CB-CG2 4.47Å |
| 203 | A | 86.7 | Confident | 87 | Confident | 54 Ų | 54 | 81.8 Ų | 81.8 | 45% | 0.446 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.7 | -40 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | T201 Q207 | T201-A203 VanDerWaalsContact C-N 3.27Å; T201-A203 PolarHBondContact O-N 3.31Å; A203-Q207 WeakPolarHBondContact O-CB 3.38Å; A203-Q207 PolarHBondContact O-N 3.29Å |
| 204 | F | 89 | Confident | 87.2 | Confident | 103 Ų | 103 | 83 Ų | 83 | 45% | 0.452 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.2 | -43.1 | 176.5 | 179.8 | -93.1 | 0 | 0 | 0 | 111.3 | P200 T201 A202 Q207 Q208 | P200-F204 HydrophobicContact CB-CD1 3.76Å; P200-F204 HydrophobicContact CB-CE1 4.41Å; T201-F204 WeakPolarHBondContact O-CB 3.48Å; T201-F204 PolarHBondContact O-N 2.92Å; T201-F204 WeakPolarHBondContact OG1-CB 3.33Å; T201-F204 PolarHBondContact OG1-N 3.34Å; A202-F204 VanDerWaalsContact C-N 3.34Å; A202-F204 PolarHBondContact O-N 2.83Å; F204-Q207 PolarHBondContact O-N 3.09Å; F204-Q208 HydrophobicContact CD1-CG 4.07Å; F204-Q208 HydrophobicContact CE1-CG 3.66Å; F204-Q208 HydrophobicContact CE2-CG 4.43Å; F204-Q208 HydrophobicContact CZ-CG 3.87Å; F204-Q208 VanDerWaalsContact O-CG 3.32Å; F204-Q208 WeakPolarHBondContact O-CG 3.47Å; F204-Q208 PolarHBondContact O-N 3.5Å |
| 205 | I | 90 | Very high | 87.6 | Confident | 23 Ų | 23 | 76.5 Ų | 76.5 | 12% | 0.118 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.2 | -49 | 178.1 | -63.6 | 169.1 | 0 | 0 | 0 | 110.5 | P200 T201 A202 Q207 Q208 L209 L298 | P200-I205 HydrophobicContact CB-CD1 4.37Å; P200-I205 HydrophobicContact CB-CG1 3.98Å; P200-I205 HydrophobicContact CG-CD1 4.07Å; P200-I205 HydrophobicContact CG-CG1 4.06Å; T201-I205 WeakPolarHBondContact O-CG1 3.37Å; T201-I205 PolarHBondContact O-N 3.28Å; A202-I205 PolarHBondContact O-N 2.86Å; I205-Q207 VanDerWaalsContact C-N 3.31Å; I205-Q207 PolarHBondContact O-N 3.47Å; I205-Q208 PolarHBondContact O-N 3.49Å; I205-Q208 VanDerWaalsContact O-N 3.07Å; I205-L209 HydrophobicContact CG2-CD1 4.13Å; I205-L209 HydrophobicContact CG2-CG 4.4Å; I205-L209 PolarHBondContact O-N 2.89Å; I205-L298 HydrophobicContact CG1-CD2 4.41Å; I205-L298 HydrophobicContact CG2-CB 3.86Å; I205-L298 HydrophobicContact CG2-CD2 4.14Å; I205-L298 HydrophobicContact CG2-CG 4.5Å |
| 206 | S | 89 | Confident | 87.9 | Confident | 22 Ų | 22 | 69 Ų | 69 | 15% | 0.154 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -54.9 | -47 | 177.3 | -171.3 | 0 | 0 | 0 | 0 | 111.7 | A202 Q208 L209 Q210 E351 | A202-S206 WeakPolarHBondContact O-CB 3.37Å; A202-S206 PolarHBondContact O-N 3.42Å; S206-Q208 VanDerWaalsContact C-N 3.34Å; S206-Q208 PolarHBondContact O-N 2.93Å; S206-L209 PolarHBondContact O-N 3.37Å; S206-Q210 WeakPolarHBondContact O-CG 3.3Å; S206-Q210 PolarHBondContact O-N 2.96Å; S206-E351 WeakPolarHBondContact CB-OE2 3.3Å; S206-E351 PolarHBondContact OG-OE2 2.94Å |
| 207 | Q | 89.6 | Confident | 88.3 | Confident | 126 Ų | 126 | 67.7 Ų | 67.7 | 59% | 0.589 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -62.6 | -38.7 | 177 | -172.5 | -178.9 | -2.8 | 0 | 0 | 112.5 | A203 F204 I205 S211 | A203-Q207 WeakPolarHBondContact O-CB 3.38Å; A203-Q207 PolarHBondContact O-N 3.29Å; F204-Q207 PolarHBondContact O-N 3.09Å; I205-Q207 VanDerWaalsContact C-N 3.31Å; I205-Q207 PolarHBondContact O-N 3.47Å; Q207-S211 WeakPolarHBondContact O-CB 3.37Å; Q207-S211 PolarHBondContact O-N 3.05Å |
| 208 | Q | 90.3 | Very high | 88.5 | Confident | 85 Ų | 85 | 64.7 Ų | 64.7 | 40% | 0.397 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.9 | -41.5 | 176.8 | -70.1 | -59.6 | -35.8 | 0 | 0 | 112.2 | F204 I205 S206 S211 L212 | F204-Q208 HydrophobicContact CD1-CG 4.07Å; F204-Q208 HydrophobicContact CE1-CG 3.66Å; F204-Q208 HydrophobicContact CE2-CG 4.43Å; F204-Q208 HydrophobicContact CZ-CG 3.87Å; F204-Q208 VanDerWaalsContact O-CG 3.32Å; F204-Q208 WeakPolarHBondContact O-CG 3.47Å; F204-Q208 PolarHBondContact O-N 3.5Å; I205-Q208 PolarHBondContact O-N 3.49Å; I205-Q208 VanDerWaalsContact O-N 3.07Å; S206-Q208 VanDerWaalsContact C-N 3.34Å; S206-Q208 PolarHBondContact O-N 2.93Å; Q208-S211 PolarHBondContact O-N 3.16Å; Q208-L212 WeakPolarHBondContact O-CB 3.25Å; Q208-L212 PolarHBondContact O-N 3.16Å |
| 209 | L | 90.7 | Very high | 88.9 | Confident | 8 Ų | 8 | 56.1 Ų | 56.1 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 176.7 | -71 | 176.3 | 0 | 0 | 0 | 111.6 | I205 S206 L212 E213 F293 L298 F299 | I205-L209 HydrophobicContact CG2-CD1 4.13Å; I205-L209 HydrophobicContact CG2-CG 4.4Å; I205-L209 PolarHBondContact O-N 2.89Å; S206-L209 PolarHBondContact O-N 3.37Å; L209-L212 PolarHBondContact O-N 3.29Å; L209-E213 PolarHBondContact O-N 3.19Å; L209-F293 HydrophobicContact CD2-CE2 4.4Å; L209-F293 HydrophobicContact CD2-CZ 4.02Å; L209-L298 HydrophobicContact CD2-CD1 4.09Å; L209-F299 HydrophobicContact CD1-CE1 3.84Å; L209-F299 HydrophobicContact CD1-CZ 3.98Å; L209-F299 HydrophobicContact CD2-CZ 4.32Å |
| 210 | Q | 89.7 | Confident | 89 | Confident | 127 Ų | 127 | 48.2 Ų | 48.2 | 59% | 0.593 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -63.4 | -42.2 | 175.3 | -70.7 | 176.8 | 6.4 | 0 | 0 | 112.2 | S206 L212 E213 S214 | S206-Q210 WeakPolarHBondContact O-CG 3.3Å; S206-Q210 PolarHBondContact O-N 2.96Å; Q210-L212 VanDerWaalsContact C-N 3.35Å; Q210-E213 PolarHBondContact O-N 3.13Å; Q210-S214 WeakPolarHBondContact O-CB 3.18Å; Q210-S214 PolarHBondContact O-N 2.8Å |
| 211 | S | 90.6 | Very high | 89 | Confident | 37 Ų | 37 | 46.8 Ų | 46.8 | 26% | 0.259 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 174.6 | 176.2 | 0 | 0 | 0 | 0 | 111.2 | Q207 Q208 S214 K215 | Q207-S211 WeakPolarHBondContact O-CB 3.37Å; Q207-S211 PolarHBondContact O-N 3.05Å; Q208-S211 PolarHBondContact O-N 3.16Å; S211-S214 PolarHBondContact O-N 2.97Å; S211-K215 WeakPolarHBondContact O-CB 3.42Å; S211-K215 VanDerWaalsContact O-CG 3.28Å; S211-K215 WeakPolarHBondContact O-CG 3.32Å; S211-K215 PolarHBondContact O-N 2.98Å; S211-K215 WeakPolarHBondContact OG-CE 3.33Å |
| 212 | L | 91.9 | Very high | 88.7 | Confident | 14 Ų | 14 | 43.5 Ų | 43.5 | 7% | 0.073 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.6 | -47.9 | 178.1 | 178.4 | 62.1 | 0 | 0 | 0 | 111.5 | L179 L183 L186 Q208 L209 Q210 S214 K215 L216 F293 | L179-L212 HydrophobicContact CD1-CD1 4Å; L183-L212 HydrophobicContact CD2-CD1 3.77Å; L183-L212 HydrophobicContact CD2-CD2 4.25Å; L183-L212 HydrophobicContact CG-CD1 4.2Å; L186-L212 HydrophobicContact CD2-CD2 4.21Å; Q208-L212 WeakPolarHBondContact O-CB 3.25Å; Q208-L212 PolarHBondContact O-N 3.16Å; L209-L212 PolarHBondContact O-N 3.29Å; Q210-L212 VanDerWaalsContact C-N 3.35Å; L212-S214 PolarHBondContact O-N 3.35Å; L212-K215 PolarHBondContact O-N 3.41Å; L212-L216 HydrophobicContact CD1-CD1 3.96Å; L212-L216 HydrophobicContact CD1-CG 4.23Å; L212-L216 HydrophobicContact CG-CD1 3.86Å; L212-L216 WeakPolarHBondContact O-CB 3.3Å; L212-L216 WeakPolarHBondContact O-CG 3.42Å; L212-L216 PolarHBondContact O-N 2.7Å; L212-F293 HydrophobicContact CD2-CZ 4.48Å |
| 213 | E | 91.2 | Very high | 88.5 | Confident | 53 Ų | 53 | 43.2 Ų | 43.2 | 25% | 0.248 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.1 | -46.3 | 176.2 | -171.3 | -169.2 | 137.9 | 0 | 0 | 111.5 | L209 Q210 K215 L216 T217 L289 V316 | L209-E213 PolarHBondContact O-N 3.19Å; Q210-E213 PolarHBondContact O-N 3.13Å; E213-K215 VanDerWaalsContact C-N 3.31Å; E213-K215 PolarHBondContact O-N 3.06Å; E213-L216 PolarHBondContact O-N 3.36Å; E213-T217 VanDerWaalsContact O-CG2 3.32Å; E213-T217 WeakPolarHBondContact O-CG2 3.21Å; E213-T217 PolarHBondContact O-N 3.35Å; E213-T217 PolarHBondContact O-OG1 3.49Å; E213-L289 HydrophobicContact CG-CD2 4.03Å; E213-V316 HydrophobicContact CG-CG1 4.23Å; E213-V316 VanDerWaalsContact OE1-CG1 3.32Å; E213-V316 WeakPolarHBondContact OE1-CG1 3.34Å |
| 214 | S | 89.8 | Confident | 88.5 | Confident | 71 Ų | 71 | 46.4 Ų | 46.4 | 50% | 0.497 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.2 | -38 | 176.6 | -176 | 0 | 0 | 0 | 0 | 112.5 | Q210 S211 L212 T217 S218 | Q210-S214 WeakPolarHBondContact O-CB 3.18Å; Q210-S214 PolarHBondContact O-N 2.8Å; S211-S214 PolarHBondContact O-N 2.97Å; L212-S214 PolarHBondContact O-N 3.35Å; S214-T217 PolarHBondContact O-OG1 3.28Å; S214-S218 WeakPolarHBondContact O-CB 3.35Å; S214-S218 PolarHBondContact O-N 3.39Å; S214-S218 PolarHBondContact O-OG 2.94Å |
| 215 | K | 91.1 | Very high | 88.5 | Confident | 47 Ų | 47 | 44.5 Ų | 44.5 | 20% | 0.204 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -72.3 | -41.2 | 177.8 | -71.9 | 178.1 | -173.9 | -179.4 | 0 | 112 | V174 L179 E182 S211 L212 E213 T217 S218 V219 | V174-K215 HydrophobicContact CG1-CB 4.24Å; V174-K215 HydrophobicContact CG1-CG 4.39Å; V174-K215 HydrophobicContact CG2-CB 4.26Å; V174-K215 HydrophobicContact CG2-CG 4.01Å; L179-K215 HydrophobicContact CD1-CB 3.86Å; L179-K215 HydrophobicContact CD1-CD 4.42Å; L179-K215 HydrophobicContact CD2-CB 4.5Å; E182-K215 IonicContact OE1-NZ 2.81Å; E182-K215 PolarHBondContact OE1-NZ 3.25Å; E182-K215 VanDerWaalsContact OE2-CD 3.27Å; E182-K215 WeakPolarHBondContact OE2-CD 3.39Å; E182-K215 IonicContact OE2-NZ 2.89Å; E182-K215 PolarHBondContact OE2-NZ 3.45Å; S211-K215 WeakPolarHBondContact O-CB 3.42Å; S211-K215 VanDerWaalsContact O-CG 3.28Å; S211-K215 WeakPolarHBondContact O-CG 3.32Å; S211-K215 PolarHBondContact O-N 2.98Å; S211-K215 WeakPolarHBondContact OG-CE 3.33Å; L212-K215 PolarHBondContact O-N 3.41Å; E213-K215 VanDerWaalsContact C-N 3.31Å; E213-K215 PolarHBondContact O-N 3.06Å; K215-T217 PolarHBondContact O-N 2.87Å; K215-S218 PolarHBondContact O-N 3.27Å; K215-S218 PolarHBondContact O-OG 3.01Å; K215-V219 PolarHBondContact O-N 3Å |
| 216 | L | 91.6 | Very high | 88.5 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.5 | -36.5 | 176.3 | -74.9 | 165.5 | 0 | 0 | 0 | 112.4 | L179 L212 E213 S218 V219 F228 A235 V237 R287 L289 V291 | L179-L216 HydrophobicContact CD2-CD2 3.81Å; L179-L216 HydrophobicContact CD2-CG 4.22Å; L212-L216 HydrophobicContact CD1-CD1 3.96Å; L212-L216 HydrophobicContact CD1-CG 4.23Å; L212-L216 HydrophobicContact CG-CD1 3.86Å; L212-L216 WeakPolarHBondContact O-CB 3.3Å; L212-L216 WeakPolarHBondContact O-CG 3.42Å; L212-L216 PolarHBondContact O-N 2.7Å; E213-L216 PolarHBondContact O-N 3.36Å; L216-S218 VanDerWaalsContact C-N 3.32Å; L216-S218 PolarHBondContact O-N 3.43Å; L216-V219 WeakPolarHBondContact O-CG1 3.29Å; L216-F228 HydrophobicContact CD2-CD2 3.96Å; L216-F228 HydrophobicContact CD2-CE2 3.97Å; L216-A235 HydrophobicContact CD1-CB 3.96Å; L216-A235 HydrophobicContact CD2-CB 3.91Å; L216-V237 HydrophobicContact CB-CG2 3.98Å; L216-V237 HydrophobicContact CD2-CG2 3.56Å; L216-V237 HydrophobicContact CG-CG2 4.36Å; L216-R287 PolarHBondContact O-NH1 3.01Å; L216-L289 HydrophobicContact CB-CD2 3.38Å; L216-L289 HydrophobicContact CB-CG 4.15Å; L216-L289 HydrophobicContact CD1-CD2 4.12Å; L216-L289 HydrophobicContact CG-CD2 4.4Å; L216-V291 HydrophobicContact CD1-CG2 3.94Å |
| 217 | T | 87.7 | Confident | 88.6 | Confident | 11 Ų | 11 | 45 Ų | 45 | 7% | 0.067 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.9 | -26 | 175.1 | 56.8 | 0 | 0 | 0 | 0 | 113.1 | E213 S214 K215 R287 L289 Q318 | E213-T217 VanDerWaalsContact O-CG2 3.32Å; E213-T217 WeakPolarHBondContact O-CG2 3.21Å; E213-T217 PolarHBondContact O-N 3.35Å; E213-T217 PolarHBondContact O-OG1 3.49Å; S214-T217 PolarHBondContact O-OG1 3.28Å; K215-T217 PolarHBondContact O-N 2.87Å; T217-R287 VanDerWaalsContact O-CD 3.29Å; T217-R287 WeakPolarHBondContact O-CD 3.46Å; T217-R287 VanDerWaalsContact O-CZ 3.28Å; T217-R287 PolarHBondContact O-NE 3.47Å; T217-R287 PolarHBondContact O-NH1 3.45Å; T217-R287 VanDerWaalsContact O-NH1 3.14Å; T217-L289 HydrophobicContact CG2-CD1 3.58Å; T217-L289 HydrophobicContact CG2-CD2 3.82Å; T217-L289 HydrophobicContact CG2-CG 4.39Å; T217-Q318 HydrophobicContact CG2-CB 3.96Å; T217-Q318 HydrophobicContact CG2-CG 3.77Å |
| 218 | S | 87.5 | Confident | 88.7 | Confident | 47 Ų | 47 | 39 Ų | 39 | 33% | 0.329 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -103.2 | -8.4 | -174.5 | 62.3 | 0 | 0 | 0 | 0 | 115 | V174 S214 K215 L216 S220 | V174-S218 VanDerWaalsContact CG2-OG 3.3Å; V174-S218 WeakPolarHBondContact CG2-OG 3.38Å; S214-S218 WeakPolarHBondContact O-CB 3.35Å; S214-S218 PolarHBondContact O-N 3.39Å; S214-S218 PolarHBondContact O-OG 2.94Å; K215-S218 PolarHBondContact O-N 3.27Å; K215-S218 PolarHBondContact O-OG 3.01Å; L216-S218 VanDerWaalsContact C-N 3.32Å; L216-S218 PolarHBondContact O-N 3.43Å; S218-S220 PolarHBondContact O-N 3.47Å |
| 219 | V | 88.3 | Confident | 88.6 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -61.1 | 130.1 | -178.8 | 67.4 | 0 | 0 | 0 | 0 | 112.2 | M176 L179 K215 L216 F221 L226 F228 R287 | M176-V219 HydrophobicContact CB-CG2 4.44Å; M176-V219 HydrophobicContact CG-CG2 3.69Å; L179-V219 HydrophobicContact CD2-CB 4.14Å; L179-V219 HydrophobicContact CD2-CG1 4.47Å; L179-V219 HydrophobicContact CD2-CG2 4.23Å; K215-V219 PolarHBondContact O-N 3Å; L216-V219 WeakPolarHBondContact O-CG1 3.29Å; V219-F221 HydrophobicContact CG1-CD1 4.01Å; V219-F221 HydrophobicContact CG1-CE1 4.27Å; V219-L226 HydrophobicContact CG1-CD2 4.18Å; V219-L226 HydrophobicContact CG2-CD2 4.25Å; V219-F228 HydrophobicContact CG2-CZ 4.41Å; V219-R287 PolarHBondContact O-NH1 3.29Å; V219-R287 PolarHBondContact O-NH2 3.35Å |
| 220 | S | 84 | Confident | 88.6 | Confident | 31 Ų | 31 | 42.7 Ų | 42.7 | 22% | 0.217 | 24% | 0.241 | C | C | . | . | trans | -91.8 | 125 | 177.4 | 60.9 | 0 | 0 | 0 | 0 | 110.2 | W143 V174 M176 S218 | W143-S220 PolarHBondContact NE1-O 3.47Å; W143-S220 VanDerWaalsContact NE1-O 3.13Å; V174-S220 PolarHBondContact O-N 2.93Å; M176-S220 WeakPolarHBondContact CG-O 3.48Å; S218-S220 PolarHBondContact O-N 3.47Å | ||
| 221 | F | 86.5 | Confident | 88.4 | Confident | 3 Ų | 3 | 40.9 Ų | 40.9 | 1% | 0.013 | 24% | 0.235 | C | C | . | . | trans | -146.7 | 155.6 | 179.1 | 64.5 | -88.1 | 0 | 0 | 0 | 112.2 | M176 V219 G223 L226 V237 K239 | M176-F221 HydrophobicContact CE-CB 4.16Å; M176-F221 HydrophobicContact CG-CB 4.4Å; M176-F221 HydrophobicContact SD-CB 3.6Å; V219-F221 HydrophobicContact CG1-CD1 4.01Å; V219-F221 HydrophobicContact CG1-CE1 4.27Å; F221-G223 WeakPolarHBondContact CE2-O 3.39Å; F221-L226 HydrophobicContact CB-CD2 3.82Å; F221-L226 HydrophobicContact CD1-CB 4.01Å; F221-L226 HydrophobicContact CD1-CD2 3.78Å; F221-L226 HydrophobicContact CD2-CB 3.74Å; F221-L226 HydrophobicContact CE1-CB 4.02Å; F221-L226 HydrophobicContact CE1-CD2 4.42Å; F221-L226 HydrophobicContact CE2-CB 3.77Å; F221-L226 HydrophobicContact CG-CB 3.85Å; F221-L226 HydrophobicContact CG-CD2 3.82Å; F221-L226 HydrophobicContact CG-CG 4.4Å; F221-L226 HydrophobicContact CZ-CB 3.89Å; F221-V237 HydrophobicContact CE1-CB 4.34Å; F221-V237 HydrophobicContact CE1-CG1 4.03Å; F221-V237 HydrophobicContact CZ-CB 4.47Å; F221-V237 HydrophobicContact CZ-CG1 4.29Å; F221-K239 HydrophobicContact CE1-CG 4.44Å; F221-K239 HydrophobicContact CE2-CD 4.28Å; F221-K239 HydrophobicContact CE2-CG 4.31Å; F221-K239 HydrophobicContact CZ-CD 4.17Å; F221-K239 HydrophobicContact CZ-CG 3.8Å; F221-K239 PolarHBondContact O-NZ 3.29Å | ||
| 222 | L | 81.2 | Confident | 88.3 | Confident | 22 Ų | 22 | 44.2 Ų | 44.2 | 12% | 0.115 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -88.3 | 137.7 | 172.1 | -162 | 69.1 | 0 | 0 | 0 | 110.2 | R29 S95 R96 H97 W143 | R29-L222 VanDerWaalsContact O-CD2 3.32Å; R29-L222 WeakPolarHBondContact O-CD2 3.48Å; S95-L222 WeakPolarHBondContact OG-CD2 3.22Å; R96-L222 PolarHBondContact NH2-O 2.87Å; H97-L222 VanDerWaalsContact CE1-CD2 3.43Å; H97-L222 WeakPolarHBondContact CE1-CD2 3.35Å; H97-L222 WeakPolarHBondContact ND1-CD2 3.35Å; W143-L222 HydrophobicContact CH2-CD1 4.43Å; W143-L222 HydrophobicContact CZ3-CB 4.47Å; W143-L222 HydrophobicContact CZ3-CD1 4.05Å |
| 223 | G | 83.2 | Confident | 88.3 | Confident | 22 Ų | 22 | 43.7 Ų | 43.7 | 23% | 0.227 | 24% | 0.24 | C | C | . | . | S | Bend | trans | 99.8 | 178.6 | -173 | 0 | 0 | 0 | 0 | 0 | 114.3 | F221 K239 | F221-G223 WeakPolarHBondContact CE2-O 3.39Å; G223-K239 WeakPolarHBondContact O-CE 3.39Å; G223-K239 PolarHBondContact O-NZ 3.32Å |
| 224 | D | 86.6 | Confident | 88.4 | Confident | 121 Ų | 121 | 43.1 Ų | 43.1 | 65% | 0.647 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -92.1 | -27.6 | -177 | -62.2 | -36.8 | 0 | 0 | 0 | 113.1 | W238 K239 | D224-W238 CarbonylContact O-C 3.52Å; D224-W238 WeakPolarHBondContact O-CA 3.37Å; D224-K239 PolarHBondContact O-N 3.35Å |
| 225 | T | 88.9 | Confident | 88.6 | Confident | 62 Ų | 62 | 39.7 Ų | 39.7 | 38% | 0.38 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 142.4 | 180 | -54.5 | 0 | 0 | 0 | 0 | 111.4 | T236 V237 W238 | T225-T236 HydrophobicContact CG2-CG2 3.48Å; T225-T236 VanDerWaalsContact CG2-CG2 3.48Å; T225-V237 CarbonylContact C-O 3.51Å; T225-V237 VanDerWaalsContact CA-O 3.31Å; T225-V237 WeakPolarHBondContact CA-O 3.11Å; T225-W238 HydrophobicContact CG2-CD2 4.26Å; T225-W238 HydrophobicContact CG2-CG 4.23Å; T225-W238 PolarHBondContact OG1-NE1 2.91Å |
| 226 | L | 90.3 | Very high | 88.7 | Confident | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 121.3 | 171.6 | 178.1 | 63 | 0 | 0 | 0 | 110 | M176 V219 F221 F228 T236 V237 | M176-L226 HydrophobicContact CE-CD1 3.47Å; M176-L226 VanDerWaalsContact CE-CD1 3.47Å; M176-L226 HydrophobicContact CE-CD2 3.87Å; M176-L226 HydrophobicContact CE-CG 4.34Å; M176-L226 HydrophobicContact CG-CD2 4.14Å; M176-L226 HydrophobicContact SD-CD2 4.41Å; V219-L226 HydrophobicContact CG1-CD2 4.18Å; V219-L226 HydrophobicContact CG2-CD2 4.25Å; F221-L226 HydrophobicContact CB-CD2 3.82Å; F221-L226 HydrophobicContact CD1-CB 4.01Å; F221-L226 HydrophobicContact CD1-CD2 3.78Å; F221-L226 HydrophobicContact CD2-CB 3.74Å; F221-L226 HydrophobicContact CE1-CB 4.02Å; F221-L226 HydrophobicContact CE1-CD2 4.42Å; F221-L226 HydrophobicContact CE2-CB 3.77Å; F221-L226 HydrophobicContact CG-CB 3.85Å; F221-L226 HydrophobicContact CG-CD2 3.82Å; F221-L226 HydrophobicContact CG-CG 4.4Å; F221-L226 HydrophobicContact CZ-CB 3.89Å; L226-F228 HydrophobicContact CD2-CE1 4.47Å; L226-F228 HydrophobicContact CD2-CE2 3.5Å; L226-F228 VanDerWaalsContact CD2-CE2 3.5Å; L226-F228 HydrophobicContact CD2-CZ 3.46Å; L226-F228 VanDerWaalsContact CD2-CZ 3.46Å; L226-F228 HydrophobicContact CG-CD2 4.35Å; L226-F228 HydrophobicContact CG-CE2 3.76Å; L226-F228 HydrophobicContact CG-CZ 4.01Å; L226-T236 CarbonylContact O-C 3.5Å; L226-T236 WeakPolarHBondContact O-CA 3.33Å; L226-V237 PolarHBondContact N-O 2.91Å; L226-V237 PolarHBondContact O-N 2.98Å |
| 227 | S | 90.5 | Very high | 88.8 | Confident | 53 Ų | 53 | 38 Ų | 38 | 37% | 0.371 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 137.6 | 175.5 | -59.7 | 0 | 0 | 0 | 0 | 111 | A235 T236 | S227-A235 CarbonylContact C-O 3.48Å; S227-A235 WeakPolarHBondContact CA-O 3.26Å; S227-T236 WeakPolarHBondContact CB-OG1 3.33Å; S227-T236 WeakPolarHBondContact OG-CG2 3.29Å; S227-T236 PolarHBondContact OG-OG1 2.87Å |
| 228 | F | 90.8 | Very high | 89 | Confident | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 88.2 | 172.5 | -64.6 | -87.4 | 0 | 0 | 0 | 108.6 | L119 M176 L179 K180 L183 L216 V219 L226 E230 N234 A235 | L119-F228 HydrophobicContact CD2-CE1 4.3Å; M176-F228 WeakPolarHBondContact O-CE1 3.38Å; L179-F228 HydrophobicContact CB-CE1 4.38Å; L179-F228 HydrophobicContact CB-CZ 4.29Å; L179-F228 HydrophobicContact CD2-CE1 4.44Å; L179-F228 HydrophobicContact CD2-CE2 3.73Å; L179-F228 HydrophobicContact CD2-CZ 3.68Å; L179-F228 HydrophobicContact CG-CE1 4.33Å; L179-F228 HydrophobicContact CG-CE2 4.32Å; L179-F228 HydrophobicContact CG-CZ 4.05Å; K180-F228 HydrophobicContact CB-CD1 4.14Å; K180-F228 HydrophobicContact CB-CE1 4.2Å; K180-F228 HydrophobicContact CD-CD1 3.95Å; L183-F228 HydrophobicContact CD1-CB 3.3Å; L183-F228 HydrophobicContact CD1-CD1 4.05Å; L183-F228 HydrophobicContact CD1-CD2 4.09Å; L183-F228 HydrophobicContact CD1-CG 3.58Å; L216-F228 HydrophobicContact CD2-CD2 3.96Å; L216-F228 HydrophobicContact CD2-CE2 3.97Å; V219-F228 HydrophobicContact CG2-CZ 4.41Å; L226-F228 HydrophobicContact CD2-CE1 4.47Å; L226-F228 HydrophobicContact CD2-CE2 3.5Å; L226-F228 VanDerWaalsContact CD2-CE2 3.5Å; L226-F228 HydrophobicContact CD2-CZ 3.46Å; L226-F228 VanDerWaalsContact CD2-CZ 3.46Å; L226-F228 HydrophobicContact CG-CD2 4.35Å; L226-F228 HydrophobicContact CG-CE2 3.76Å; L226-F228 HydrophobicContact CG-CZ 4.01Å; F228-E230 PolarHBondContact O-N 3.47Å; F228-N234 WeakPolarHBondContact O-CA 3.3Å; F228-N234 PolarHBondContact O-OD1 3.45Å; F228-A235 HydrophobicContact CB-CB 4.42Å; F228-A235 PolarHBondContact N-O 2.83Å; F228-A235 PolarHBondContact O-N 3.11Å; F228-A235 VanDerWaalsContact O-N 3.17Å |
| 229 | E | 88.7 | Confident | 89.1 | Confident | 132 Ų | 132 | 40.6 Ų | 40.6 | 62% | 0.617 | 21% | 0.211 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 111.1 | 178.9 | -63.1 | 168.8 | 165.9 | 0 | 0 | 109.4 | K180 | K180-E229 PolarHBondContact NZ-O 2.75Å |
| 230 | E | 90 | Very high | 89 | Confident | 38 Ų | 38 | 41.4 Ų | 41.4 | 18% | 0.178 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 161.5 | 169.9 | -64.8 | -61.8 | 159.4 | 0 | 0 | 109.6 | K180 L183 Q184 F228 R232 V233 | K180-E230 WeakPolarHBondContact CD-OE1 3.29Å; K180-E230 WeakPolarHBondContact CE-OE1 3.46Å; K180-E230 IonicContact NZ-OE1 3.22Å; K180-E230 PolarHBondContact NZ-OE1 3.24Å; L183-E230 HydrophobicContact CB-CG 4.02Å; Q184-E230 HydrophobicContact CG-CG 4.28Å; Q184-E230 WeakPolarHBondContact CG-OE1 3.48Å; Q184-E230 VanDerWaalsContact CG-OE2 3.31Å; Q184-E230 WeakPolarHBondContact CG-OE2 3.46Å; Q184-E230 PolarHBondContact NE2-OE1 3.36Å; F228-E230 PolarHBondContact O-N 3.47Å; E230-R232 PolarHBondContact O-N 2.96Å; E230-V233 CarbonylContact C-O 3.58Å; E230-V233 WeakPolarHBondContact CA-O 3.19Å; E230-V233 HydrophobicContact CB-CG1 3.89Å; E230-V233 WeakPolarHBondContact CB-O 3.32Å; E230-V233 PolarHBondContact N-O 2.85Å; E230-V233 CarbonylContact O-C 3.56Å; E230-V233 PolarHBondContact O-N 3.3Å |
| 231 | D | 85.1 | Confident | 89 | Confident | 88 Ų | 88 | 43.3 Ų | 43.3 | 47% | 0.471 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 133.1 | 174.5 | -174.9 | 27.7 | 0 | 0 | 0 | 109.8 | S187 Q191 V233 | S187-D231 VanDerWaalsContact CB-O 3.23Å; S187-D231 WeakPolarHBondContact CB-O 3.43Å; S187-D231 PolarHBondContact OG-O 2.8Å; Q191-D231 WeakPolarHBondContact CG-OD2 3.45Å; Q191-D231 PolarHBondContact NE2-OD2 3.48Å; D231-V233 PolarHBondContact O-N 3.42Å; D231-V233 VanDerWaalsContact O-N 3.09Å |
| 232 | R | 88.8 | Confident | 88.6 | Confident | 108 Ų | 108 | 49.3 Ų | 49.3 | 41% | 0.408 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | -5.2 | -175.5 | -52.8 | -71.3 | 179.6 | 161.7 | -2.9 | 117.4 | L190 Q191 E230 S294 | L190-R232 HydrophobicContact CB-CB 3.97Å; L190-R232 HydrophobicContact CD1-CB 4.28Å; Q191-R232 HydrophobicContact CG-CG 4.26Å; E230-R232 PolarHBondContact O-N 2.96Å; R232-S294 VanDerWaalsContact CD-O 3.26Å; R232-S294 WeakPolarHBondContact CD-O 3.48Å; R232-S294 PolarHBondContact NH1-O 3.47Å; R232-S294 VanDerWaalsContact NH1-O 3.09Å; R232-S294 PolarHBondContact O-N 3.13Å |
| 233 | V | 92.8 | Very high | 88.7 | Confident | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.012 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 125.3 | 175.9 | 61.4 | 0 | 0 | 0 | 0 | 111.9 | L183 L190 E230 D231 V291 D292 F293 | L183-V233 HydrophobicContact CD2-CG1 4.44Å; L183-V233 HydrophobicContact CD2-CG2 4.26Å; L190-V233 HydrophobicContact CD1-CB 3.97Å; L190-V233 HydrophobicContact CD1-CG1 4.26Å; E230-V233 CarbonylContact C-O 3.58Å; E230-V233 WeakPolarHBondContact CA-O 3.19Å; E230-V233 HydrophobicContact CB-CG1 3.89Å; E230-V233 WeakPolarHBondContact CB-O 3.32Å; E230-V233 PolarHBondContact N-O 2.85Å; E230-V233 CarbonylContact O-C 3.56Å; E230-V233 PolarHBondContact O-N 3.3Å; D231-V233 PolarHBondContact O-N 3.42Å; D231-V233 VanDerWaalsContact O-N 3.09Å; V233-V291 HydrophobicContact CG2-CG1 4.25Å; V233-D292 CarbonylContact C-O 3.47Å; V233-D292 WeakPolarHBondContact CA-O 3.33Å; V233-F293 HydrophobicContact CB-CD1 4.07Å; V233-F293 HydrophobicContact CB-CE1 4.24Å; V233-F293 HydrophobicContact CG2-CD1 3.71Å; V233-F293 HydrophobicContact CG2-CE1 3.54Å; V233-F293 HydrophobicContact CG2-CZ 4.23Å |
| 234 | N | 93.2 | Very high | 88.5 | Confident | 41 Ų | 41 | 52.4 Ų | 52.4 | 22% | 0.219 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 115 | 174.7 | -175.4 | 5.1 | 0 | 0 | 0 | 110.2 | F228 D292 | F228-N234 WeakPolarHBondContact O-CA 3.3Å; F228-N234 PolarHBondContact O-OD1 3.45Å; N234-D292 HydrophobicContact CB-CB 4.34Å; N234-D292 PolarHBondContact N-O 2.92Å; N234-D292 PolarHBondContact O-N 3.16Å |
| 235 | A | 94.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 119.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | L183 L216 S227 F228 V291 | L183-A235 HydrophobicContact CD1-CB 4.13Å; L183-A235 HydrophobicContact CD2-CB 4.47Å; L216-A235 HydrophobicContact CD1-CB 3.96Å; L216-A235 HydrophobicContact CD2-CB 3.91Å; S227-A235 CarbonylContact C-O 3.48Å; S227-A235 WeakPolarHBondContact CA-O 3.26Å; F228-A235 HydrophobicContact CB-CB 4.42Å; F228-A235 PolarHBondContact N-O 2.83Å; F228-A235 PolarHBondContact O-N 3.11Å; F228-A235 VanDerWaalsContact O-N 3.17Å; A235-V291 HydrophobicContact CB-CG1 4.37Å; A235-V291 HydrophobicContact CB-CG2 4.33Å |
| 236 | T | 93.6 | Very high | 87.9 | Confident | 13 Ų | 13 | 49.1 Ų | 49.1 | 8% | 0.08 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 135.6 | 177.9 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | T225 L226 S227 W238 L289 V290 | T225-T236 HydrophobicContact CG2-CG2 3.48Å; T225-T236 VanDerWaalsContact CG2-CG2 3.48Å; L226-T236 CarbonylContact O-C 3.5Å; L226-T236 WeakPolarHBondContact O-CA 3.33Å; S227-T236 WeakPolarHBondContact CB-OG1 3.33Å; S227-T236 WeakPolarHBondContact OG-CG2 3.29Å; S227-T236 PolarHBondContact OG-OG1 2.87Å; T236-W238 VanDerWaalsContact CB-CZ3 3.43Å; T236-W238 HydrophobicContact CG2-CD2 3.92Å; T236-W238 HydrophobicContact CG2-CE3 3.76Å; T236-W238 HydrophobicContact CG2-CH2 3.18Å; T236-W238 HydrophobicContact CG2-CZ2 3.34Å; T236-W238 HydrophobicContact CG2-CZ3 3.38Å; T236-W238 VanDerWaalsContact O-CZ3 3.26Å; T236-W238 WeakPolarHBondContact O-CZ3 3.45Å; T236-L289 WeakPolarHBondContact O-CA 3.22Å; T236-V290 PolarHBondContact N-O 2.93Å; T236-V290 PolarHBondContact O-N 3.32Å |
| 237 | V | 93.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 123.9 | -179.6 | -172.8 | 0 | 0 | 0 | 0 | 109 | L216 F221 T225 L226 R287 L288 | L216-V237 HydrophobicContact CB-CG2 3.98Å; L216-V237 HydrophobicContact CD2-CG2 3.56Å; L216-V237 HydrophobicContact CG-CG2 4.36Å; F221-V237 HydrophobicContact CE1-CB 4.34Å; F221-V237 HydrophobicContact CE1-CG1 4.03Å; F221-V237 HydrophobicContact CZ-CB 4.47Å; F221-V237 HydrophobicContact CZ-CG1 4.29Å; T225-V237 CarbonylContact C-O 3.51Å; T225-V237 VanDerWaalsContact CA-O 3.31Å; T225-V237 WeakPolarHBondContact CA-O 3.11Å; L226-V237 PolarHBondContact N-O 2.91Å; L226-V237 PolarHBondContact O-N 2.98Å; V237-R287 HydrophobicContact CG1-CB 4.17Å; V237-R287 HydrophobicContact CG1-CG 4.39Å; V237-L288 WeakPolarHBondContact CA-O 3.11Å |
| 238 | W | 91.5 | Very high | 87.7 | Confident | 54 Ų | 54 | 57 Ų | 57 | 21% | 0.205 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 133.1 | 172.6 | -65.8 | -103.8 | 0 | 0 | 0 | 110 | D224 T225 T236 I251 R287 L288 V290 | D224-W238 CarbonylContact O-C 3.52Å; D224-W238 WeakPolarHBondContact O-CA 3.37Å; T225-W238 HydrophobicContact CG2-CD2 4.26Å; T225-W238 HydrophobicContact CG2-CG 4.23Å; T225-W238 PolarHBondContact OG1-NE1 2.91Å; T236-W238 VanDerWaalsContact CB-CZ3 3.43Å; T236-W238 HydrophobicContact CG2-CD2 3.92Å; T236-W238 HydrophobicContact CG2-CE3 3.76Å; T236-W238 HydrophobicContact CG2-CH2 3.18Å; T236-W238 HydrophobicContact CG2-CZ2 3.34Å; T236-W238 HydrophobicContact CG2-CZ3 3.38Å; T236-W238 VanDerWaalsContact O-CZ3 3.26Å; T236-W238 WeakPolarHBondContact O-CZ3 3.45Å; W238-I251 HydrophobicContact CH2-CD1 4.13Å; W238-I251 HydrophobicContact CH2-CG2 4.48Å; W238-I251 HydrophobicContact CZ2-CD1 4.15Å; W238-I251 HydrophobicContact CZ2-CG2 4.35Å; W238-R287 CarbonylContact O-C 3.6Å; W238-R287 WeakPolarHBondContact O-CA 3.46Å; W238-R287 WeakPolarHBondContact O-CB 3.44Å; W238-L288 HydrophobicContact CB-CB 4.3Å; W238-L288 HydrophobicContact CE3-CD2 4.24Å; W238-L288 HydrophobicContact CE3-CG 4.22Å; W238-L288 PolarHBondContact N-O 2.87Å; W238-L288 PolarHBondContact O-N 2.75Å; W238-V290 HydrophobicContact CE3-CG2 4.36Å; W238-V290 HydrophobicContact CH2-CB 3.87Å; W238-V290 HydrophobicContact CH2-CG2 3.84Å; W238-V290 HydrophobicContact CZ3-CB 3.56Å; W238-V290 HydrophobicContact CZ3-CG2 3.44Å; W238-V290 VanDerWaalsContact CZ3-CG2 3.44Å |
| 239 | K | 89.2 | Confident | 87.7 | Confident | 59 Ų | 59 | 59.7 Ų | 59.7 | 26% | 0.257 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 115 | 163.1 | -66.5 | 177.6 | -171.4 | 159.5 | 0 | 107.8 | F221 G223 D224 P241 | F221-K239 HydrophobicContact CE1-CG 4.44Å; F221-K239 HydrophobicContact CE2-CD 4.28Å; F221-K239 HydrophobicContact CE2-CG 4.31Å; F221-K239 HydrophobicContact CZ-CD 4.17Å; F221-K239 HydrophobicContact CZ-CG 3.8Å; F221-K239 PolarHBondContact O-NZ 3.29Å; G223-K239 WeakPolarHBondContact O-CE 3.39Å; G223-K239 PolarHBondContact O-NZ 3.32Å; D224-K239 PolarHBondContact O-N 3.35Å; K239-P241 WeakPolarHBondContact O-CD 3.18Å |
| 240 | L | 86.7 | Confident | 87.9 | Confident | 17 Ų | 17 | 58.5 Ų | 58.5 | 9% | 0.089 | 31% | 0.308 | C | S | . | . | trans | -75.5 | 123.2 | -178.7 | -66.3 | 170.3 | 0 | 0 | 0 | 109.2 | A244 F274 K286 L288 | L240-A244 HydrophobicContact CB-CB 4.08Å; L240-A244 HydrophobicContact CD2-CB 4.04Å; L240-F274 HydrophobicContact CD1-CD1 3.6Å; L240-F274 HydrophobicContact CD1-CE1 4.01Å; L240-F274 HydrophobicContact CD2-CD1 3.98Å; L240-F274 HydrophobicContact CD2-CE1 3.84Å; L240-F274 HydrophobicContact CG-CD1 4.45Å; L240-K286 WeakPolarHBondContact CB-O 3.44Å; L240-K286 HydrophobicContact CD1-CB 4.14Å; L240-K286 PolarHBondContact N-O 3.4Å; L240-L288 HydrophobicContact CD1-CB 4.26Å; L240-L288 HydrophobicContact CD2-CB 4.02Å; L240-L288 HydrophobicContact CG-CB 4.21Å | ||
| 241 | P | 83.2 | Confident | 87.9 | Confident | 70 Ų | 70 | 57.6 Ų | 57.6 | 46% | 0.455 | 30% | 0.304 | S | S | . | . | trans | -66.9 | 158.7 | 172.1 | 28.6 | -35.3 | 0 | 0 | 0 | 110.2 | K239 T243 A244 | K239-P241 WeakPolarHBondContact O-CD 3.18Å; P241-T243 PolarHBondContact O-N 3.06Å; P241-A244 HydrophobicContact CG-CB 4.2Å; P241-A244 VanDerWaalsContact O-CB 3.25Å; P241-A244 WeakPolarHBondContact O-CB 3.35Å; P241-A244 PolarHBondContact O-N 3.25Å | ||
| 242 | P | 78.2 | Confident | 88.2 | Confident | 129 Ų | 129 | 59.7 Ų | 59.7 | 84% | 0.838 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -22.6 | 175.1 | -25.3 | 34.4 | 0 | 0 | 0 | 114.1 | ||
| 243 | T | 82.3 | Confident | 88.2 | Confident | 88 Ų | 88 | 55.8 Ų | 55.8 | 54% | 0.54 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -8.6 | 177.5 | 50.3 | 0 | 0 | 0 | 0 | 114.2 | P241 G245 L246 | P241-T243 PolarHBondContact O-N 3.06Å; T243-G245 PolarHBondContact O-N 2.96Å; T243-L246 HydrophobicContact CG2-CD1 4Å; T243-L246 VanDerWaalsContact O-CB 3.29Å; T243-L246 WeakPolarHBondContact O-CB 3.34Å; T243-L246 WeakPolarHBondContact O-CG 3.46Å; T243-L246 PolarHBondContact O-N 3.15Å |
| 244 | A | 81 | Confident | 87.5 | Confident | 21 Ų | 21 | 64 Ų | 64 | 17% | 0.174 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -22.9 | -176 | 0 | 0 | 0 | 0 | 0 | 114.1 | L240 P241 L246 F274 | L240-A244 HydrophobicContact CB-CB 4.08Å; L240-A244 HydrophobicContact CD2-CB 4.04Å; P241-A244 HydrophobicContact CG-CB 4.2Å; P241-A244 VanDerWaalsContact O-CB 3.25Å; P241-A244 WeakPolarHBondContact O-CB 3.35Å; P241-A244 PolarHBondContact O-N 3.25Å; A244-L246 VanDerWaalsContact C-N 3.26Å; A244-L246 PolarHBondContact O-N 3.29Å; A244-F274 HydrophobicContact CB-CB 4.36Å; A244-F274 HydrophobicContact CB-CG 4.37Å; A244-F274 VanDerWaalsContact O-CD2 3.25Å; A244-F274 WeakPolarHBondContact O-CD2 3.22Å |
| 245 | G | 79.3 | Confident | 86.5 | Confident | 13 Ų | 13 | 68.2 Ų | 68.2 | 13% | 0.134 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 3.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | T243 Q275 | T243-G245 PolarHBondContact O-N 2.96Å; G245-Q275 VanDerWaalsContact O-CG 3.29Å; G245-Q275 WeakPolarHBondContact O-CG 3.29Å; G245-Q275 PolarHBondContact O-NE2 3.28Å |
| 246 | L | 81.7 | Confident | 85.4 | Confident | 102 Ų | 102 | 71 Ų | 71 | 53% | 0.534 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -92.2 | -33.2 | -178.5 | -63.7 | 171.7 | 0 | 0 | 0 | 112.7 | T243 A244 R271 | T243-L246 HydrophobicContact CG2-CD1 4Å; T243-L246 VanDerWaalsContact O-CB 3.29Å; T243-L246 WeakPolarHBondContact O-CB 3.34Å; T243-L246 WeakPolarHBondContact O-CG 3.46Å; T243-L246 PolarHBondContact O-N 3.15Å; A244-L246 VanDerWaalsContact C-N 3.26Å; A244-L246 PolarHBondContact O-N 3.29Å; L246-R271 WeakPolarHBondContact O-CD 3.29Å |
| 247 | E | 87.8 | Confident | 84.2 | Confident | 155 Ų | 155 | 77.7 Ų | 77.7 | 72% | 0.724 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -134.7 | 158.4 | -170.9 | -65.3 | -178.7 | 178.6 | 0 | 0 | 111.3 | ||
| 248 | D | 89.4 | Confident | 82.5 | Confident | 67 Ų | 67 | 84.7 Ų | 84.7 | 36% | 0.358 | 43% | 0.431 | S | S | . | . | trans | -78.4 | 138.2 | 177.6 | -63.3 | -11.2 | 0 | 0 | 0 | 110.2 | H250 L269 P270 R271 | D248-H250 PolarHBondContact O-ND1 2.85Å; D248-L269 WeakPolarHBondContact CA-O 3.46Å; D248-P270 WeakPolarHBondContact OD1-CA 3.44Å; D248-R271 PolarHBondContact OD1-N 3.19Å | ||
| 249 | L | 90.7 | Very high | 81 | Confident | 56 Ų | 56 | 90.5 Ų | 90.5 | 29% | 0.293 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 123.2 | -178.8 | -174.3 | 67.5 | 0 | 0 | 0 | 110.4 | I251 L269 F274 L288 | L249-I251 HydrophobicContact CD2-CD1 4.13Å; L249-I251 HydrophobicContact CD2-CG1 4.39Å; L249-I251 HydrophobicContact CG-CD1 4.49Å; L249-I251 HydrophobicContact CG-CG1 4.24Å; L249-L269 HydrophobicContact CB-CB 4.28Å; L249-L269 HydrophobicContact CD2-CD1 4.38Å; L249-L269 PolarHBondContact N-O 3.44Å; L249-L269 PolarHBondContact O-N 3.07Å; L249-F274 HydrophobicContact CB-CE2 3.75Å; L249-F274 HydrophobicContact CB-CZ 3.88Å; L249-F274 HydrophobicContact CD2-CZ 3.91Å; L249-L288 HydrophobicContact CD2-CD2 3.5Å |
| 250 | H | 92.4 | Very high | 80.2 | Confident | 107 Ų | 107 | 89.7 Ų | 89.7 | 50% | 0.495 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 126.3 | 176.8 | -66 | 74.8 | 0 | 0 | 0 | 110.4 | D248 L267 L268 | D248-H250 PolarHBondContact O-ND1 2.85Å; H250-L267 CarbonylContact C-O 3.59Å; H250-L267 WeakPolarHBondContact CA-O 3.42Å; H250-L268 VanDerWaalsContact NE2-CD1 3.3Å; H250-L268 WeakPolarHBondContact NE2-CD1 3.49Å |
| 251 | I | 91.1 | Very high | 79.9 | Confident | 19 Ų | 19 | 92.8 Ų | 92.8 | 10% | 0.097 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 132 | 179.2 | -57.2 | 172.3 | 0 | 0 | 0 | 108.1 | W238 L249 S266 L267 L269 L288 V290 | W238-I251 HydrophobicContact CH2-CD1 4.13Å; W238-I251 HydrophobicContact CH2-CG2 4.48Å; W238-I251 HydrophobicContact CZ2-CD1 4.15Å; W238-I251 HydrophobicContact CZ2-CG2 4.35Å; L249-I251 HydrophobicContact CD2-CD1 4.13Å; L249-I251 HydrophobicContact CD2-CG1 4.39Å; L249-I251 HydrophobicContact CG-CD1 4.49Å; L249-I251 HydrophobicContact CG-CG1 4.24Å; I251-S266 CarbonylContact O-C 3.59Å; I251-S266 WeakPolarHBondContact O-CA 3.19Å; I251-L267 HydrophobicContact CB-CB 4.22Å; I251-L267 HydrophobicContact CB-CD1 4.4Å; I251-L267 PolarHBondContact N-O 3.34Å; I251-L267 PolarHBondContact O-N 3.48Å; I251-L269 HydrophobicContact CD1-CD1 4.22Å; I251-L288 HydrophobicContact CD1-CD2 4Å; I251-V290 HydrophobicContact CD1-CG2 4.06Å |
| 252 | H | 91.7 | Very high | 80 | Confident | 132 Ų | 132 | 89.6 Ų | 89.6 | 61% | 0.611 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 135.8 | 177.7 | -61.7 | 82.9 | 0 | 0 | 0 | 109.2 | S266 | H252-S266 PolarHBondContact CD2-OG 3.05Å; H252-S266 VanDerWaalsContact CD2-OG 3.27Å |
| 253 | S | 87.9 | Confident | 80.5 | Confident | 26 Ų | 26 | 85.9 Ų | 85.9 | 18% | 0.182 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -78.5 | 157.9 | 171.3 | 84.7 | 0 | 0 | 0 | 0 | 110.7 | A264 Y265 | S253-A264 WeakPolarHBondContact OG-CA 3.39Å; S253-Y265 VanDerWaalsContact CB-CD1 3.44Å; S253-Y265 PolarHBondContact N-O 3.02Å; S253-Y265 PolarHBondContact OG-N 3.49Å; S253-Y265 PolarHBondContact OG-O 3.27Å |
| 254 | Q | 79 | Confident | 81 | Confident | 174 Ų | 174 | 82.5 Ų | 82.5 | 81% | 0.813 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -69.4 | 151 | 164.7 | -162.4 | 165.9 | -29.2 | 0 | 0 | 109.5 | E256 | Q254-E256 PolarHBondContact O-N 3.27Š|
| 255 | K | 71.4 | Confident | 81.5 | Confident | 130 Ų | 130 | 82.3 Ų | 82.3 | 57% | 0.565 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -70 | 121.8 | 177 | -166.5 | 179.4 | 178.7 | -169.9 | 0 | 109.1 | Q263 | K255-Q263 CarbonylContact C-O 3.57Å; K255-Q263 WeakPolarHBondContact CA-O 3.33Å |
| 256 | E | 72.2 | Confident | 82.3 | Confident | 58 Ų | 58 | 82.6 Ų | 82.6 | 27% | 0.271 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 169.6 | 172.9 | -66.2 | -169.3 | 177.5 | 0 | 0 | 111.1 | Q254 S260 Q263 K311 | Q254-E256 PolarHBondContact O-N 3.27Å; E256-S260 PolarHBondContact OE2-OG 3.45Å; E256-Q263 PolarHBondContact N-O 3.39Å; E256-K311 WeakPolarHBondContact OE1-CE 3.23Å; E256-K311 IonicContact OE1-NZ 3.19Å; E256-K311 PolarHBondContact OE1-NZ 2.85Å |
| 257 | E | 67.4 | Low | 82.9 | Confident | 155 Ų | 155 | 77.9 Ų | 77.9 | 72% | 0.724 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -52.9 | 142.9 | 176.1 | -72.1 | -175.4 | 168.2 | 0 | 0 | 111.4 | Q259 S260 | E257-Q259 PolarHBondContact O-N 3.4Å; E257-S260 PolarHBondContact O-N 3Å |
| 258 | E | 57.7 | Low | 83.2 | Confident | 147 Ų | 147 | 72.9 Ų | 72.9 | 69% | 0.687 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -18.8 | -174.2 | -70 | -170.8 | 147.9 | 0 | 0 | 114.1 | Q336 | E258-Q336 PolarHBondContact O-NE2 3.35Š|
| 259 | Q | 60.4 | Low | 83.4 | Confident | 176 Ų | 176 | 69.7 Ų | 69.7 | 82% | 0.822 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -14.8 | 179.8 | -65.8 | -177 | 2 | 0 | 0 | 114.2 | E257 | E257-Q259 PolarHBondContact O-N 3.4Š|
| 260 | S | 72.8 | Confident | 83.5 | Confident | 41 Ų | 41 | 67 Ų | 67 | 29% | 0.287 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -67.5 | 139.4 | 175 | -70.5 | 0 | 0 | 0 | 0 | 110.8 | E256 E257 V262 | E256-S260 PolarHBondContact OE2-OG 3.45Å; E257-S260 PolarHBondContact O-N 3Å; S260-V262 WeakPolarHBondContact CB-O 3.46Å; S260-V262 PolarHBondContact O-N 2.96Å |
| 261 | E | 81.2 | Confident | 83.3 | Confident | 82 Ų | 82 | 67.6 Ų | 67.6 | 38% | 0.383 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -58.2 | -39.5 | 174.8 | -73.9 | -174.6 | 167.7 | 0 | 0 | 111.6 | G309 H335 Q336 | E261-G309 WeakPolarHBondContact OE2-CA 3.29Å; E261-G309 PolarHBondContact OE2-N 3.03Å; E261-H335 CarbonylContact O-C 3.5Å; E261-H335 WeakPolarHBondContact O-CA 3.33Å; E261-H335 WeakPolarHBondContact O-CB 3.5Å; E261-Q336 PolarHBondContact O-N 2.86Å |
| 262 | V | 85.2 | Confident | 83.1 | Confident | 3 Ų | 3 | 67.9 Ų | 67.9 | 2% | 0.018 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 124.1 | 171.8 | 179.3 | 0 | 0 | 0 | 0 | 108.5 | S260 L308 K311 F333 | S260-V262 WeakPolarHBondContact CB-O 3.46Å; S260-V262 PolarHBondContact O-N 2.96Å; V262-L308 HydrophobicContact CG2-CD2 4.13Å; V262-L308 HydrophobicContact CG2-CG 3.8Å; V262-K311 HydrophobicContact CB-CG 4.05Å; V262-K311 HydrophobicContact CG1-CG 4.12Å; V262-K311 HydrophobicContact CG2-CB 4.44Å; V262-K311 HydrophobicContact CG2-CG 4.17Å; V262-F333 HydrophobicContact CG1-CD1 4.45Å |
| 263 | Q | 88 | Confident | 82.8 | Confident | 52 Ų | 52 | 61.6 Ų | 61.6 | 24% | 0.243 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -33.8 | -175.3 | -64.2 | -179 | -8.2 | 0 | 0 | 112.7 | K255 E256 Q334 | K255-Q263 CarbonylContact C-O 3.57Å; K255-Q263 WeakPolarHBondContact CA-O 3.33Å; E256-Q263 PolarHBondContact N-O 3.39Å; Q263-Q334 PolarHBondContact N-O 3.32Å |
| 264 | A | 92 | Very high | 82.6 | Confident | 16 Ų | 16 | 60.6 Ų | 60.6 | 13% | 0.132 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 166.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | S253 Q334 | S253-A264 WeakPolarHBondContact OG-CA 3.39Å; A264-Q334 HydrophobicContact CB-CB 4.43Å; A264-Q334 PolarHBondContact O-N 3.46Å; A264-Q334 PolarHBondContact O-OE1 3.42Å |
| 265 | Y | 93.3 | Very high | 82.5 | Confident | 18 Ų | 18 | 56.8 Ų | 56.8 | 7% | 0.071 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 159.2 | 166.8 | 67.6 | -94.5 | 0 | 0 | 0 | 112.3 | S253 L267 D292 L313 T332 | S253-Y265 VanDerWaalsContact CB-CD1 3.44Å; S253-Y265 PolarHBondContact N-O 3.02Å; S253-Y265 PolarHBondContact OG-N 3.49Å; S253-Y265 PolarHBondContact OG-O 3.27Å; Y265-L267 HydrophobicContact CD2-CD1 4.43Å; Y265-L267 HydrophobicContact CD2-CD2 4.16Å; Y265-L267 HydrophobicContact CD2-CG 4.01Å; Y265-L267 HydrophobicContact CE2-CD1 4.12Å; Y265-L267 HydrophobicContact CE2-CG 4.18Å; Y265-D292 HydrophobicContact CE1-CB 4.36Å; Y265-D292 VanDerWaalsContact CE1-OD2 3.28Å; Y265-D292 WeakPolarHBondContact CE1-OD2 3.41Å; Y265-L313 HydrophobicContact CD2-CD2 3.69Å; Y265-L313 HydrophobicContact CE1-CD1 4.45Å; Y265-L313 HydrophobicContact CE2-CD1 4.15Å; Y265-L313 HydrophobicContact CE2-CD2 3.81Å; Y265-L313 HydrophobicContact CG-CD2 4.16Å; Y265-T332 CarbonylContact C-O 3.57Å; Y265-T332 WeakPolarHBondContact CA-O 3.49Å |
| 266 | S | 94.6 | Very high | 82 | Confident | 19 Ų | 19 | 57.4 Ų | 57.4 | 13% | 0.133 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 140.1 | 175.1 | -50.1 | 0 | 0 | 0 | 0 | 109.4 | I251 H252 L331 T332 | I251-S266 CarbonylContact O-C 3.59Å; I251-S266 WeakPolarHBondContact O-CA 3.19Å; H252-S266 PolarHBondContact CD2-OG 3.05Å; H252-S266 VanDerWaalsContact CD2-OG 3.27Å; S266-L331 WeakPolarHBondContact O-CA 3.38Å; S266-T332 PolarHBondContact N-O 3.08Å; S266-T332 PolarHBondContact O-N 3.01Å |
| 267 | L | 94.4 | Very high | 81.3 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 132.8 | -179.1 | -49.5 | 172.6 | 0 | 0 | 0 | 109.7 | H250 I251 Y265 V290 L313 I315 V330 L331 | H250-L267 CarbonylContact C-O 3.59Å; H250-L267 WeakPolarHBondContact CA-O 3.42Å; I251-L267 HydrophobicContact CB-CB 4.22Å; I251-L267 HydrophobicContact CB-CD1 4.4Å; I251-L267 PolarHBondContact N-O 3.34Å; I251-L267 PolarHBondContact O-N 3.48Å; Y265-L267 HydrophobicContact CD2-CD1 4.43Å; Y265-L267 HydrophobicContact CD2-CD2 4.16Å; Y265-L267 HydrophobicContact CD2-CG 4.01Å; Y265-L267 HydrophobicContact CE2-CD1 4.12Å; Y265-L267 HydrophobicContact CE2-CG 4.18Å; L267-V290 HydrophobicContact CD1-CG1 3.99Å; L267-V290 HydrophobicContact CD1-CG2 4.35Å; L267-L313 HydrophobicContact CD1-CD2 3.96Å; L267-L313 HydrophobicContact CD2-CD2 3.4Å; L267-L313 HydrophobicContact CG-CD2 4.11Å; L267-I315 HydrophobicContact CD1-CD1 4.15Å; L267-I315 HydrophobicContact CD1-CG1 4.36Å; L267-I315 HydrophobicContact CD2-CD1 4.2Å; L267-V330 WeakPolarHBondContact CA-O 3.41Å; L267-L331 HydrophobicContact CD2-CB 3.94Å; L267-L331 HydrophobicContact CD2-CD2 3.81Å; L267-L331 HydrophobicContact CD2-CG 3.73Å |
| 268 | L | 94.9 | Very high | 80.7 | Confident | 49 Ų | 49 | 58.4 Ų | 58.4 | 26% | 0.257 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 112.4 | 168.5 | -174.6 | 157 | 0 | 0 | 0 | 107.6 | H250 P270 V329 V330 | H250-L268 VanDerWaalsContact NE2-CD1 3.3Å; H250-L268 WeakPolarHBondContact NE2-CD1 3.49Å; L268-P270 HydrophobicContact CD2-CG 4.26Å; L268-V329 WeakPolarHBondContact O-CA 3.46Å; L268-V330 HydrophobicContact CB-CB 4.12Å; L268-V330 PolarHBondContact N-O 3.36Å; L268-V330 PolarHBondContact O-N 3.08Å |
| 269 | L | 92.9 | Very high | 80.5 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 110.8 | 177.2 | -60.2 | 176.9 | 0 | 0 | 0 | 109.2 | D248 L249 I251 F274 L288 I315 V329 L382 | D248-L269 WeakPolarHBondContact CA-O 3.46Å; L249-L269 HydrophobicContact CB-CB 4.28Å; L249-L269 HydrophobicContact CD2-CD1 4.38Å; L249-L269 PolarHBondContact N-O 3.44Å; L249-L269 PolarHBondContact O-N 3.07Å; I251-L269 HydrophobicContact CD1-CD1 4.22Å; L269-F274 HydrophobicContact CB-CE2 4.15Å; L269-F274 HydrophobicContact CB-CZ 3.85Å; L269-F274 HydrophobicContact CD1-CZ 4.02Å; L269-L288 HydrophobicContact CD1-CD1 3.86Å; L269-L288 HydrophobicContact CD1-CD2 3.54Å; L269-L288 HydrophobicContact CD1-CG 4.35Å; L269-I315 HydrophobicContact CD1-CG2 4.37Å; L269-I315 HydrophobicContact CD2-CD1 4.27Å; L269-I315 HydrophobicContact CD2-CG2 4.01Å; L269-V329 HydrophobicContact CD2-CG1 3.68Å; L269-V329 HydrophobicContact CD2-CG2 4.12Å; L269-L382 HydrophobicContact CD2-CD2 4.17Å |
| 270 | P | 92.4 | Very high | 80 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | trans | -62.1 | 144.5 | -179.9 | -23.3 | 33.5 | 0 | 0 | 0 | 111.9 | D248 L268 A272 V273 D327 P328 | D248-P270 WeakPolarHBondContact OD1-CA 3.44Å; L268-P270 HydrophobicContact CD2-CG 4.26Å; P270-A272 PolarHBondContact O-N 3.45Å; P270-V273 WeakPolarHBondContact O-CB 3.42Å; P270-V273 WeakPolarHBondContact O-CG2 3.17Å; P270-V273 PolarHBondContact O-N 3.23Å; P270-D327 HydrophobicContact CB-CB 3.99Å; P270-D327 HydrophobicContact CG-CB 4.1Å; P270-D327 WeakPolarHBondContact CG-O 3.5Å; P270-P328 VanDerWaalsContact CG-O 3.27Å; P270-P328 WeakPolarHBondContact CG-O 3.27Å | ||
| 271 | R | 88.8 | Confident | 79.3 | Confident | 119 Ų | 119 | 66 Ų | 66 | 45% | 0.449 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -50.8 | -30.6 | 177.3 | 63.2 | -172.1 | 173.9 | -179.7 | -4.5 | 114.1 | L246 D248 V273 F274 Q275 | L246-R271 WeakPolarHBondContact O-CD 3.29Å; D248-R271 PolarHBondContact OD1-N 3.19Å; R271-V273 PolarHBondContact O-N 3.3Å; R271-F274 PolarHBondContact O-N 2.97Å; R271-Q275 WeakPolarHBondContact O-CG 3.3Å; R271-Q275 PolarHBondContact O-N 2.69Å |
| 272 | A | 86.2 | Confident | 77.9 | Confident | 24 Ų | 24 | 73.7 Ų | 73.7 | 20% | 0.198 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.8 | -32.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | P270 F274 Q275 Q276 L325 | P270-A272 PolarHBondContact O-N 3.45Å; A272-F274 PolarHBondContact O-N 3.34Å; A272-Q275 PolarHBondContact O-N 3.16Å; A272-Q276 PolarHBondContact O-N 2.82Å; A272-L325 HydrophobicContact CB-CD2 3.99Å |
| 273 | V | 86 | Confident | 76.5 | Confident | 0 Ų | 0 | 80.6 Ų | 80.6 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -55.2 | -41.4 | 173.5 | 171 | 0 | 0 | 0 | 0 | 111 | P270 R271 V317 V322 L325 V329 L382 | P270-V273 WeakPolarHBondContact O-CB 3.42Å; P270-V273 WeakPolarHBondContact O-CG2 3.17Å; P270-V273 PolarHBondContact O-N 3.23Å; R271-V273 PolarHBondContact O-N 3.3Å; V273-V317 HydrophobicContact CG1-CG2 3.69Å; V273-V322 HydrophobicContact CG2-CG1 4.39Å; V273-L325 HydrophobicContact CG2-CD1 3.8Å; V273-L325 HydrophobicContact CG2-CD2 4.1Å; V273-V329 HydrophobicContact CG2-CG2 4.11Å; V273-L382 HydrophobicContact CG1-CD1 3.57Å; V273-L382 HydrophobicContact CG2-CD1 4.44Å |
| 274 | F | 84 | Confident | 75.3 | Confident | 6 Ų | 6 | 84.1 Ų | 84.1 | 3% | 0.026 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -89.9 | -26 | -177.4 | -47.3 | -61.7 | 0 | 0 | 0 | 112.2 | L240 A244 L249 L269 R271 A272 T277 L288 | L240-F274 HydrophobicContact CD1-CD1 3.6Å; L240-F274 HydrophobicContact CD1-CE1 4.01Å; L240-F274 HydrophobicContact CD2-CD1 3.98Å; L240-F274 HydrophobicContact CD2-CE1 3.84Å; L240-F274 HydrophobicContact CG-CD1 4.45Å; A244-F274 HydrophobicContact CB-CB 4.36Å; A244-F274 HydrophobicContact CB-CG 4.37Å; A244-F274 VanDerWaalsContact O-CD2 3.25Å; A244-F274 WeakPolarHBondContact O-CD2 3.22Å; L249-F274 HydrophobicContact CB-CE2 3.75Å; L249-F274 HydrophobicContact CB-CZ 3.88Å; L249-F274 HydrophobicContact CD2-CZ 3.91Å; L269-F274 HydrophobicContact CB-CE2 4.15Å; L269-F274 HydrophobicContact CB-CZ 3.85Å; L269-F274 HydrophobicContact CD1-CZ 4.02Å; R271-F274 PolarHBondContact O-N 2.97Å; A272-F274 PolarHBondContact O-N 3.34Å; F274-T277 WeakPolarHBondContact O-CB 3.27Å; F274-T277 PolarHBondContact O-N 3.47Å; F274-T277 PolarHBondContact O-OG1 3.07Å; F274-L288 HydrophobicContact CE1-CD1 4.45Å; F274-L288 HydrophobicContact CE1-CD2 4.36Å; F274-L288 HydrophobicContact CZ-CD2 4.45Å |
| 275 | Q | 76.1 | Confident | 74.4 | Confident | 94 Ų | 94 | 86.6 Ų | 86.6 | 44% | 0.439 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.8 | -37.8 | 176.6 | -72.4 | 178.1 | 0.9 | 0 | 0 | 112.7 | G245 R271 A272 T277 R278 | G245-Q275 VanDerWaalsContact O-CG 3.29Å; G245-Q275 WeakPolarHBondContact O-CG 3.29Å; G245-Q275 PolarHBondContact O-NE2 3.28Å; R271-Q275 WeakPolarHBondContact O-CG 3.3Å; R271-Q275 PolarHBondContact O-N 2.69Å; A272-Q275 PolarHBondContact O-N 3.16Å; Q275-T277 PolarHBondContact O-N 3.26Å; Q275-R278 PolarHBondContact O-N 3.5Å |
| 276 | Q | 61.2 | Low | 73.9 | Confident | 143 Ų | 143 | 88.3 Ų | 88.3 | 67% | 0.668 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -15.8 | 177.3 | -146.2 | 83.2 | -7.2 | 0 | 0 | 112.6 | A272 | A272-Q276 PolarHBondContact O-N 2.82Š|
| 277 | T | 58.2 | Low | 73.7 | Confident | 25 Ų | 25 | 89 Ų | 89 | 15% | 0.153 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -1.8 | -178 | 75.1 | 0 | 0 | 0 | 0 | 114.8 | F274 Q275 G279 V317 T320 | F274-T277 WeakPolarHBondContact O-CB 3.27Å; F274-T277 PolarHBondContact O-N 3.47Å; F274-T277 PolarHBondContact O-OG1 3.07Å; Q275-T277 PolarHBondContact O-N 3.26Å; T277-G279 PolarHBondContact O-N 2.86Å; T277-V317 HydrophobicContact CG2-CG1 3.57Å; T277-T320 HydrophobicContact CG2-CG2 4.23Å |
| 278 | R | 54.8 | Low | 73.6 | Confident | 208 Ų | 208 | 88.9 Ų | 88.9 | 79% | 0.785 | 41% | 0.411 | S | S | * | . | trans | -70.4 | 63.9 | 172.1 | -83.4 | -175.1 | 177.1 | 166.9 | 1.5 | 111.7 | Q275 | Q275-R278 PolarHBondContact O-N 3.5Š| ||
| 279 | G | 52.5 | Low | 73.6 | Confident | 56 Ų | 56 | 86.6 Ų | 86.6 | 58% | 0.577 | 40% | 0.399 | S | S | * | . | trans | -94.4 | 111.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | T277 R281 | T277-G279 PolarHBondContact O-N 2.86Å; G279-R281 VanDerWaalsContact C-N 3.3Å; G279-R281 PolarHBondContact O-N 3.48Å | ||
| 280 | R | 51.8 | Low | 73.7 | Confident | 261 Ų | 261 | 86.8 Ų | 86.8 | 99% | 0.985 | 40% | 0.4 | S | S | * | . | S | Bend | trans | 42.9 | -31.5 | 161.5 | -134 | 171.8 | -170 | 170.8 | 2.5 | 122.4 | ||
| 281 | R | 56 | Low | 73.8 | Confident | 206 Ų | 206 | 87 Ų | 87 | 78% | 0.777 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -114.1 | 127.5 | 172.2 | -85.1 | -175.3 | -177.8 | 170 | 1.2 | 109.3 | G279 D283 | G279-R281 VanDerWaalsContact C-N 3.3Å; G279-R281 PolarHBondContact O-N 3.48Å; R281-D283 VanDerWaalsContact C-N 3.26Å; R281-D283 PolarHBondContact O-N 3.34Å; R281-D283 VanDerWaalsContact O-N 3.17Å |
| 282 | R | 53.4 | Low | 74 | Confident | 245 Ų | 245 | 81.9 Ų | 81.9 | 93% | 0.925 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -8.5 | -161 | -141.7 | 174.8 | -154.9 | 170.4 | 4.7 | 115.4 | ||
| 283 | D | 55.2 | Low | 74.4 | Confident | 148 Ų | 148 | 80.8 Ų | 80.8 | 79% | 0.791 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137 | 10.3 | -163.1 | -68.7 | -49.2 | 0 | 0 | 0 | 116.4 | R281 A285 | R281-D283 VanDerWaalsContact C-N 3.26Å; R281-D283 PolarHBondContact O-N 3.34Å; R281-D283 VanDerWaalsContact O-N 3.17Å; D283-A285 PolarHBondContact O-N 2.9Å |
| 284 | D | 63.3 | Low | 74.7 | Confident | 125 Ų | 125 | 81.7 Ų | 81.7 | 67% | 0.668 | 38% | 0.38 | S | S | * | . | trans | -83.4 | 106 | 174.8 | -75.6 | -16.4 | 0 | 0 | 0 | 110.5 | K286 | D284-K286 PolarHBondContact O-N 3.49Å; D284-K286 VanDerWaalsContact O-N 3.09Å | ||
| 285 | A | 71.9 | Confident | 75 | Confident | 68 Ų | 68 | 81.6 Ų | 81.6 | 56% | 0.562 | 38% | 0.381 | S | S | * | . | trans | -58.7 | 111.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | D283 | D283-A285 PolarHBondContact O-N 2.9Š| ||
| 286 | K | 84 | Confident | 75.7 | Confident | 54 Ų | 54 | 78.1 Ų | 78.1 | 24% | 0.235 | 36% | 0.364 | C | S | . | . | trans | -74.2 | 158.1 | 176.2 | -68.5 | -73.9 | -173 | 173.5 | 0 | 110.8 | L240 D284 Q318 | L240-K286 WeakPolarHBondContact CB-O 3.44Å; L240-K286 HydrophobicContact CD1-CB 4.14Å; L240-K286 PolarHBondContact N-O 3.4Å; D284-K286 PolarHBondContact O-N 3.49Å; D284-K286 VanDerWaalsContact O-N 3.09Å; K286-Q318 PolarHBondContact NZ-O 3.44Å | ||
| 287 | R | 90.1 | Very high | 77.1 | Confident | 34 Ų | 34 | 72.1 Ų | 72.1 | 13% | 0.128 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 139.6 | 177.6 | -60.7 | 179 | -177.3 | -162.2 | 1.3 | 112.1 | L216 T217 V219 V237 W238 L289 Q318 | L216-R287 PolarHBondContact O-NH1 3.01Å; T217-R287 VanDerWaalsContact O-CD 3.29Å; T217-R287 WeakPolarHBondContact O-CD 3.46Å; T217-R287 VanDerWaalsContact O-CZ 3.28Å; T217-R287 PolarHBondContact O-NE 3.47Å; T217-R287 PolarHBondContact O-NH1 3.45Å; T217-R287 VanDerWaalsContact O-NH1 3.14Å; V219-R287 PolarHBondContact O-NH1 3.29Å; V219-R287 PolarHBondContact O-NH2 3.35Å; V237-R287 HydrophobicContact CG1-CB 4.17Å; V237-R287 HydrophobicContact CG1-CG 4.39Å; W238-R287 CarbonylContact O-C 3.6Å; W238-R287 WeakPolarHBondContact O-CA 3.46Å; W238-R287 WeakPolarHBondContact O-CB 3.44Å; R287-L289 HydrophobicContact CB-CD1 4.08Å; R287-Q318 HydrophobicContact CB-CB 4.29Å; R287-Q318 WeakPolarHBondContact O-CB 3.09Å; R287-Q318 PolarHBondContact O-N 2.9Å |
| 288 | L | 91.9 | Very high | 78.7 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 134 | 166.4 | 172.8 | 69.8 | 0 | 0 | 0 | 108.2 | V237 W238 L240 L249 I251 L269 F274 V290 I315 V317 | V237-L288 WeakPolarHBondContact CA-O 3.11Å; W238-L288 HydrophobicContact CB-CB 4.3Å; W238-L288 HydrophobicContact CE3-CD2 4.24Å; W238-L288 HydrophobicContact CE3-CG 4.22Å; W238-L288 PolarHBondContact N-O 2.87Å; W238-L288 PolarHBondContact O-N 2.75Å; L240-L288 HydrophobicContact CD1-CB 4.26Å; L240-L288 HydrophobicContact CD2-CB 4.02Å; L240-L288 HydrophobicContact CG-CB 4.21Å; L249-L288 HydrophobicContact CD2-CD2 3.5Å; I251-L288 HydrophobicContact CD1-CD2 4Å; L269-L288 HydrophobicContact CD1-CD1 3.86Å; L269-L288 HydrophobicContact CD1-CD2 3.54Å; L269-L288 HydrophobicContact CD1-CG 4.35Å; F274-L288 HydrophobicContact CE1-CD1 4.45Å; F274-L288 HydrophobicContact CE1-CD2 4.36Å; F274-L288 HydrophobicContact CZ-CD2 4.45Å; L288-V290 HydrophobicContact CG-CG2 4.43Å; L288-I315 HydrophobicContact CD1-CG2 4.01Å; L288-V317 HydrophobicContact CD1-CG2 3.98Å |
| 289 | L | 94.2 | Very high | 80.5 | Confident | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 128.6 | 176.9 | -73.1 | 73.4 | 0 | 0 | 0 | 107.9 | E213 L216 T217 T236 R287 I315 V316 | E213-L289 HydrophobicContact CG-CD2 4.03Å; L216-L289 HydrophobicContact CB-CD2 3.38Å; L216-L289 HydrophobicContact CB-CG 4.15Å; L216-L289 HydrophobicContact CD1-CD2 4.12Å; L216-L289 HydrophobicContact CG-CD2 4.4Å; T217-L289 HydrophobicContact CG2-CD1 3.58Å; T217-L289 HydrophobicContact CG2-CD2 3.82Å; T217-L289 HydrophobicContact CG2-CG 4.39Å; T236-L289 WeakPolarHBondContact O-CA 3.22Å; R287-L289 HydrophobicContact CB-CD1 4.08Å; L289-I315 WeakPolarHBondContact O-CA 3.41Å; L289-V316 HydrophobicContact CB-CB 4.33Å; L289-V316 PolarHBondContact N-O 2.92Å; L289-V316 PolarHBondContact O-N 3.23Å |
| 290 | V | 95 | Very high | 82.2 | Confident | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 118.4 | 167.3 | -177.8 | 0 | 0 | 0 | 0 | 107.4 | T236 W238 I251 L267 L288 L313 G314 | T236-V290 PolarHBondContact N-O 2.93Å; T236-V290 PolarHBondContact O-N 3.32Å; W238-V290 HydrophobicContact CE3-CG2 4.36Å; W238-V290 HydrophobicContact CH2-CB 3.87Å; W238-V290 HydrophobicContact CH2-CG2 3.84Å; W238-V290 HydrophobicContact CZ3-CB 3.56Å; W238-V290 HydrophobicContact CZ3-CG2 3.44Å; W238-V290 VanDerWaalsContact CZ3-CG2 3.44Å; I251-V290 HydrophobicContact CD1-CG2 4.06Å; L267-V290 HydrophobicContact CD1-CG1 3.99Å; L267-V290 HydrophobicContact CD1-CG2 4.35Å; L288-V290 HydrophobicContact CG-CG2 4.43Å; V290-L313 HydrophobicContact CG1-CD1 3.77Å; V290-L313 HydrophobicContact CG1-CG 4.38Å; V290-G314 CarbonylContact C-O 3.43Å; V290-G314 VanDerWaalsContact CA-O 3.28Å; V290-G314 WeakPolarHBondContact CA-O 3.49Å |
| 291 | V | 95 | Very high | 83.9 | Confident | 6 Ų | 6 | 49.5 Ų | 49.5 | 4% | 0.036 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 107 | 179 | -170.8 | 0 | 0 | 0 | 0 | 108.1 | L216 V233 A235 F293 G314 | L216-V291 HydrophobicContact CD1-CG2 3.94Å; V233-V291 HydrophobicContact CG2-CG1 4.25Å; A235-V291 HydrophobicContact CB-CG1 4.37Å; A235-V291 HydrophobicContact CB-CG2 4.33Å; V291-F293 HydrophobicContact CB-CE2 4.2Å; V291-F293 HydrophobicContact CG1-CD2 4.01Å; V291-F293 HydrophobicContact CG1-CE1 4.39Å; V291-F293 HydrophobicContact CG1-CE2 3.38Å; V291-F293 HydrophobicContact CG1-CZ 3.6Å; V291-G314 PolarHBondContact N-O 3.18Å; V291-G314 PolarHBondContact O-N 3.47Å |
| 292 | D | 94.4 | Very high | 85.2 | Confident | 12 Ų | 12 | 47.4 Ų | 47.4 | 6% | 0.064 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 115.4 | 178.9 | 175.2 | 21.7 | 0 | 0 | 0 | 109.9 | V233 N234 Y265 K311 L313 | V233-D292 CarbonylContact C-O 3.47Å; V233-D292 WeakPolarHBondContact CA-O 3.33Å; N234-D292 HydrophobicContact CB-CB 4.34Å; N234-D292 PolarHBondContact N-O 2.92Å; N234-D292 PolarHBondContact O-N 3.16Å; Y265-D292 HydrophobicContact CE1-CB 4.36Å; Y265-D292 VanDerWaalsContact CE1-OD2 3.28Å; Y265-D292 WeakPolarHBondContact CE1-OD2 3.41Å; D292-K311 WeakPolarHBondContact OD1-CD 3.29Å; D292-K311 IonicContact OD1-NZ 3.37Å; D292-K311 PolarHBondContact OD1-NZ 3.4Å; D292-K311 IonicContact OD2-NZ 3.59Å; D292-K311 PolarHBondContact OD2-NZ 3.49Å; D292-L313 HydrophobicContact CB-CD1 3.62Å |
| 293 | F | 94.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 124.4 | 173.1 | -67.4 | -82.7 | 0 | 0 | 0 | 109.9 | L186 L190 L209 L212 V233 V291 S295 L298 F299 K311 V312 Y384 | L186-F293 HydrophobicContact CD2-CE1 3.99Å; L190-F293 HydrophobicContact CD1-CD1 3.86Å; L190-F293 HydrophobicContact CD1-CE1 4.24Å; L209-F293 HydrophobicContact CD2-CE2 4.4Å; L209-F293 HydrophobicContact CD2-CZ 4.02Å; L212-F293 HydrophobicContact CD2-CZ 4.48Å; V233-F293 HydrophobicContact CB-CD1 4.07Å; V233-F293 HydrophobicContact CB-CE1 4.24Å; V233-F293 HydrophobicContact CG2-CD1 3.71Å; V233-F293 HydrophobicContact CG2-CE1 3.54Å; V233-F293 HydrophobicContact CG2-CZ 4.23Å; V291-F293 HydrophobicContact CB-CE2 4.2Å; V291-F293 HydrophobicContact CG1-CD2 4.01Å; V291-F293 HydrophobicContact CG1-CE1 4.39Å; V291-F293 HydrophobicContact CG1-CE2 3.38Å; V291-F293 HydrophobicContact CG1-CZ 3.6Å; F293-S295 PolarHBondContact O-N 3.34Å; F293-L298 HydrophobicContact CE1-CD1 3.87Å; F293-L298 HydrophobicContact CZ-CD1 4.18Å; F293-F299 AromaticContact CD2-CE2 3.85Å; F293-F299 HydrophobicContact CD2-CE2 3.85Å; F293-F299 HydrophobicContact CD2-CZ 4.24Å; F293-F299 HydrophobicContact CE2-CE2 4.08Å; F293-F299 HydrophobicContact CE2-CZ 4.12Å; F293-F299 HydrophobicContact CG-CE2 4.24Å; F293-K311 VanDerWaalsContact O-CA 3.31Å; F293-K311 WeakPolarHBondContact O-CA 3.48Å; F293-V312 HydrophobicContact CB-CB 4.25Å; F293-V312 WeakPolarHBondContact CB-O 3.44Å; F293-V312 PolarHBondContact N-O 2.97Å; F293-V312 PolarHBondContact O-N 2.93Å; F293-Y384 HydrophobicContact CE2-CD1 4.49Å; F293-Y384 HydrophobicContact CE2-CE1 4.12Å |
| 294 | S | 91.8 | Very high | 87.8 | Confident | 20 Ų | 20 | 38.1 Ų | 38.1 | 14% | 0.14 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -93.8 | 34.4 | 166.7 | -44.9 | 0 | 0 | 0 | 0 | 111.6 | R232 K311 | R232-S294 VanDerWaalsContact CD-O 3.26Å; R232-S294 WeakPolarHBondContact CD-O 3.48Å; R232-S294 PolarHBondContact NH1-O 3.47Å; R232-S294 VanDerWaalsContact NH1-O 3.09Å; R232-S294 PolarHBondContact O-N 3.13Å; S294-K311 WeakPolarHBondContact OG-CE 3.25Å; S294-K311 PolarHBondContact OG-NZ 3.46Å |
| 295 | S | 90.7 | Very high | 88.8 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 3% | 0.028 | 19% | 0.186 | C | C | . | . | trans | -157.6 | 138.5 | 173 | -176.4 | 0 | 0 | 0 | 0 | 111.7 | F293 A297 E310 | F293-S295 PolarHBondContact O-N 3.34Å; S295-A297 PolarHBondContact OG-N 3.28Å; S295-E310 CarbonylContact C-O 3.46Å; S295-E310 WeakPolarHBondContact CA-O 3.46Å; S295-E310 WeakPolarHBondContact CA-OE2 3.49Å; S295-E310 PolarHBondContact N-O 3.19Å; S295-E310 VanDerWaalsContact N-O 3.13Å; S295-E310 PolarHBondContact OG-OE2 3.04Å | ||
| 296 | Q | 90.9 | Very high | 89.5 | Confident | 21 Ų | 21 | 36.4 Ų | 36.4 | 10% | 0.098 | 19% | 0.187 | C | C | . | . | trans | -93.6 | 14.1 | 177.1 | 62.9 | 167.8 | 28.5 | 0 | 0 | 113.1 | L298 F299 Q300 S305 V307 E310 V312 | Q296-L298 PolarHBondContact O-N 2.98Å; Q296-L298 VanDerWaalsContact O-N 3.17Å; Q296-F299 CarbonylContact O-C 3.51Å; Q296-F299 PolarHBondContact O-N 2.83Å; Q296-Q300 VanDerWaalsContact NE2-NE2 3.2Å; Q296-Q300 PolarHBondContact O-NE2 3.34Å; Q296-S305 PolarHBondContact OE1-O 2.91Å; Q296-V307 VanDerWaalsContact OE1-CB 3.3Å; Q296-E310 HydrophobicContact CB-CB 4.3Å; Q296-E310 HydrophobicContact CG-CB 4.05Å; Q296-E310 HydrophobicContact CG-CG 3.96Å; Q296-E310 PolarHBondContact N-O 3.37Å; Q296-V312 HydrophobicContact CB-CG2 4.5Å | ||
| 297 | A | 90.8 | Very high | 89.9 | Confident | 17 Ų | 17 | 34 Ų | 34 | 14% | 0.14 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -29.2 | -175 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y189 L190 P193 S295 | Y189-A297 HydrophobicContact CE1-CB 4.23Å; L190-A297 HydrophobicContact CD2-CB 3.93Å; P193-A297 HydrophobicContact CB-CB 4.16Å; P193-A297 HydrophobicContact CG-CB 4.31Å; S295-A297 PolarHBondContact OG-N 3.28Å |
| 298 | L | 91.5 | Very high | 89.9 | Confident | 15 Ų | 15 | 32.5 Ų | 32.5 | 8% | 0.079 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -17.9 | 176.2 | -56.3 | 176.8 | 0 | 0 | 0 | 113.1 | L186 Y189 L190 I205 L209 F293 Q296 | L186-L298 HydrophobicContact CD1-CD1 4.1Å; L186-L298 HydrophobicContact CD1-CD2 4.42Å; Y189-L298 HydrophobicContact CD1-CD2 4.28Å; Y189-L298 HydrophobicContact CE1-CD2 3.83Å; L190-L298 HydrophobicContact CD2-CD1 4.32Å; L190-L298 HydrophobicContact CD2-CG 4Å; I205-L298 HydrophobicContact CG1-CD2 4.41Å; I205-L298 HydrophobicContact CG2-CB 3.86Å; I205-L298 HydrophobicContact CG2-CD2 4.14Å; I205-L298 HydrophobicContact CG2-CG 4.5Å; L209-L298 HydrophobicContact CD2-CD1 4.09Å; F293-L298 HydrophobicContact CE1-CD1 3.87Å; F293-L298 HydrophobicContact CZ-CD1 4.18Å; Q296-L298 PolarHBondContact O-N 2.98Å; Q296-L298 VanDerWaalsContact O-N 3.17Å |
| 299 | F | 92.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -117.2 | 59.2 | -168.9 | -56.1 | -81.4 | 0 | 0 | 0 | 110.9 | L209 F293 Q296 V312 W349 W361 Y384 | L209-F299 HydrophobicContact CD1-CE1 3.84Å; L209-F299 HydrophobicContact CD1-CZ 3.98Å; L209-F299 HydrophobicContact CD2-CZ 4.32Å; F293-F299 AromaticContact CD2-CE2 3.85Å; F293-F299 HydrophobicContact CD2-CE2 3.85Å; F293-F299 HydrophobicContact CD2-CZ 4.24Å; F293-F299 HydrophobicContact CE2-CE2 4.08Å; F293-F299 HydrophobicContact CE2-CZ 4.12Å; F293-F299 HydrophobicContact CG-CE2 4.24Å; Q296-F299 CarbonylContact O-C 3.51Å; Q296-F299 PolarHBondContact O-N 2.83Å; F299-V312 HydrophobicContact CB-CG2 4.39Å; F299-V312 HydrophobicContact CD1-CG1 4.29Å; F299-V312 HydrophobicContact CD2-CB 3.88Å; F299-V312 HydrophobicContact CD2-CG1 3.76Å; F299-V312 HydrophobicContact CD2-CG2 3.72Å; F299-V312 HydrophobicContact CE1-CG1 4.2Å; F299-V312 HydrophobicContact CE2-CB 3.92Å; F299-V312 HydrophobicContact CE2-CG1 3.65Å; F299-V312 HydrophobicContact CE2-CG2 4.29Å; F299-V312 HydrophobicContact CG-CG1 4.08Å; F299-V312 HydrophobicContact CG-CG2 4.2Å; F299-V312 HydrophobicContact CZ-CG1 3.88Å; F299-W349 HydrophobicContact CB-CD2 4.31Å; F299-W349 HydrophobicContact CB-CE3 4.08Å; F299-W349 HydrophobicContact CB-CH2 4.49Å; F299-W349 HydrophobicContact CB-CZ3 4.18Å; F299-W349 HydrophobicContact CD1-CB 4.14Å; F299-W349 AromaticContact CD1-CD1 3.77Å; F299-W349 AromaticContact CD1-CD2 3.7Å; F299-W349 HydrophobicContact CD1-CD2 3.7Å; F299-W349 AromaticContact CD1-CE2 3.91Å; F299-W349 HydrophobicContact CD1-CE3 4.27Å; F299-W349 AromaticContact CD1-CG 3.61Å; F299-W349 HydrophobicContact CD1-CG 3.61Å; F299-W349 AromaticContact CD1-NE1 3.92Å; F299-W349 HydrophobicContact CE1-CB 4.44Å; F299-W349 AromaticContact CE1-CD1 3.98Å; F299-W349 HydrophobicContact CE1-CG 4.11Å; F299-W361 HydrophobicContact CB-CH2 3.65Å; F299-W361 HydrophobicContact CB-CZ2 3.52Å; F299-W361 HydrophobicContact CD1-CH2 4.4Å; F299-W361 HydrophobicContact CG-CH2 4.16Å; F299-W361 HydrophobicContact CG-CZ2 4.49Å; F299-W361 WeakPolarHBondContact O-CZ2 3.27Å; F299-Y384 HydrophobicContact CE1-CD1 4.11Å; F299-Y384 HydrophobicContact CE1-CG 4.12Å; F299-Y384 AromaticContact CZ-CD1 3.77Å; F299-Y384 HydrophobicContact CZ-CD1 3.77Å; F299-Y384 HydrophobicContact CZ-CE1 4.26Å; F299-Y384 HydrophobicContact CZ-CG 4.26Å | ||
| 300 | Q | 88.5 | Confident | 89.6 | Confident | 40 Ų | 40 | 37.2 Ų | 37.2 | 19% | 0.187 | 20% | 0.199 | C | C | . | . | trans | -102 | 112.3 | -178.9 | -68.7 | -66.2 | -42.4 | 0 | 0 | 110.6 | Q296 S304 | Q296-Q300 VanDerWaalsContact NE2-NE2 3.2Å; Q296-Q300 PolarHBondContact O-NE2 3.34Å; Q300-S304 PolarHBondContact OE1-OG 2.79Å | ||
| 301 | D | 87.8 | Confident | 89.4 | Confident | 20 Ų | 20 | 37.4 Ų | 37.4 | 11% | 0.107 | 20% | 0.2 | C | C | . | . | trans | -78.4 | -177.7 | 173.6 | 72.9 | 3.9 | 0 | 0 | 0 | 111.8 | N303 S304 S305 W349 G359 | D301-N303 PolarHBondContact O-N 2.87Å; D301-N303 PolarHBondContact OD1-N 2.73Å; D301-S304 PolarHBondContact O-N 3.4Å; D301-S304 WeakPolarHBondContact OD1-CA 3.18Å; D301-S304 PolarHBondContact OD1-N 3.41Å; D301-S305 PolarHBondContact OD1-N 2.95Å; D301-S305 PolarHBondContact OD1-OG 3.35Å; D301-S305 VanDerWaalsContact OD2-CB 3.31Å; D301-S305 WeakPolarHBondContact OD2-CB 3.28Å; D301-S305 PolarHBondContact OD2-OG 2.93Å; D301-W349 HydrophobicContact CB-CH2 4.5Å; D301-W349 HydrophobicContact CB-CZ3 4.3Å; D301-G359 WeakPolarHBondContact CA-O 3.26Å | ||
| 302 | K | 83.1 | Confident | 89.4 | Confident | 161 Ų | 161 | 37.1 Ų | 37.1 | 70% | 0.7 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -25.6 | -179.3 | -68.4 | -177.8 | -178.6 | 175.4 | 0 | 113.6 | T358 | K302-T358 VanDerWaalsContact CG-OG1 3.23Å; K302-T358 WeakPolarHBondContact CG-OG1 3.32Å |
| 303 | N | 80.1 | Confident | 89.5 | Confident | 140 Ų | 140 | 36.6 Ų | 36.6 | 75% | 0.749 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | -1.2 | -175.8 | -65.9 | -11.3 | 0 | 0 | 0 | 112.5 | D301 S305 | D301-N303 PolarHBondContact O-N 2.87Å; D301-N303 PolarHBondContact OD1-N 2.73Å; N303-S305 PolarHBondContact O-N 2.97Å |
| 304 | S | 83 | Confident | 89.5 | Confident | 58 Ų | 58 | 36.7 Ų | 36.7 | 41% | 0.406 | 20% | 0.196 | S | C | . | . | trans | 49.8 | 46.7 | -169.7 | -78.6 | 0 | 0 | 0 | 0 | 112.3 | Q300 D301 | Q300-S304 PolarHBondContact OE1-OG 2.79Å; D301-S304 PolarHBondContact O-N 3.4Å; D301-S304 WeakPolarHBondContact OD1-CA 3.18Å; D301-S304 PolarHBondContact OD1-N 3.41Å | ||
| 305 | S | 84.1 | Confident | 89.6 | Confident | 31 Ų | 31 | 35.7 Ų | 35.7 | 22% | 0.217 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -56.5 | 140.7 | 178.7 | -51.8 | 0 | 0 | 0 | 0 | 110.9 | Q296 D301 N303 | Q296-S305 PolarHBondContact OE1-O 2.91Å; D301-S305 PolarHBondContact OD1-N 2.95Å; D301-S305 PolarHBondContact OD1-OG 3.35Å; D301-S305 VanDerWaalsContact OD2-CB 3.31Å; D301-S305 WeakPolarHBondContact OD2-CB 3.28Å; D301-S305 PolarHBondContact OD2-OG 2.93Å; N303-S305 PolarHBondContact O-N 2.97Å |
| 306 | Q | 87.4 | Confident | 89.7 | Confident | 127 Ų | 127 | 36.6 Ų | 36.6 | 59% | 0.593 | 19% | 0.194 | S | C | * | . | P | Polyproline II helix | trans | -89.2 | 130.3 | -175.4 | -66.1 | -176.9 | -11.6 | 0 | 0 | 111.6 | L388 M389 | Q306-L388 VanDerWaalsContact O-CD1 3.27Å; Q306-L388 WeakPolarHBondContact O-CD1 3.28Å; Q306-M389 HydrophobicContact CB-CE 3.73Å; Q306-M389 PolarHBondContact O-N 2.89Å |
| 307 | V | 91.2 | Very high | 89.6 | Confident | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 137.5 | 172.2 | 176 | 0 | 0 | 0 | 0 | 109.8 | Q296 G309 E310 K311 W361 A386 V387 L388 | Q296-V307 VanDerWaalsContact OE1-CB 3.3Å; V307-G309 PolarHBondContact O-N 3.31Å; V307-E310 PolarHBondContact O-N 3.47Å; V307-K311 WeakPolarHBondContact CG1-O 3.31Å; V307-W361 HydrophobicContact CG2-CH2 4.33Å; V307-W361 HydrophobicContact CG2-CZ2 3.72Å; V307-A386 HydrophobicContact CG1-CB 3.7Å; V307-A386 HydrophobicContact CG2-CB 4.03Å; V307-V387 WeakPolarHBondContact CA-O 3.06Å; V307-L388 HydrophobicContact CG2-CD1 4.23Å |
| 308 | L | 90.8 | Very high | 89.3 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.5 | 119 | 178.4 | -176 | 68.9 | 0 | 0 | 0 | 110.9 | V262 E310 K311 H335 Q338 L344 V387 M389 | V262-L308 HydrophobicContact CG2-CD2 4.13Å; V262-L308 HydrophobicContact CG2-CG 3.8Å; L308-E310 PolarHBondContact O-N 2.99Å; L308-E310 VanDerWaalsContact O-N 3.1Å; L308-K311 PolarHBondContact O-N 3.47Å; L308-K311 VanDerWaalsContact O-N 3.15Å; L308-H335 HydrophobicContact CD2-CB 3.9Å; L308-Q338 HydrophobicContact CD1-CG 4.02Å; L308-L344 HydrophobicContact CD1-CD2 4.14Å; L308-L344 HydrophobicContact CD2-CD1 4.13Å; L308-L344 HydrophobicContact CD2-CD2 4.29Å; L308-V387 HydrophobicContact CB-CB 4.06Å; L308-V387 HydrophobicContact CB-CG1 4.21Å; L308-V387 WeakPolarHBondContact CB-O 3.07Å; L308-V387 HydrophobicContact CD2-CB 4.2Å; L308-V387 HydrophobicContact CD2-CG1 3.99Å; L308-V387 PolarHBondContact N-O 3.27Å; L308-M389 HydrophobicContact CB-CG 4.12Å; L308-M389 HydrophobicContact CB-SD 4.5Å; L308-M389 HydrophobicContact CD1-CG 4.22Å; L308-M389 HydrophobicContact CD1-SD 3.87Å |
| 309 | G | 87.6 | Confident | 88.7 | Confident | 21 Ų | 21 | 42.2 Ų | 42.2 | 22% | 0.216 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 57.9 | 18.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | E261 V307 K311 | E261-G309 WeakPolarHBondContact OE2-CA 3.29Å; E261-G309 PolarHBondContact OE2-N 3.03Å; V307-G309 PolarHBondContact O-N 3.31Å; G309-K311 PolarHBondContact O-N 3.43Å |
| 310 | E | 91.2 | Very high | 88.2 | Confident | 80 Ų | 80 | 43.6 Ų | 43.6 | 37% | 0.374 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 53.1 | 21.2 | -170.7 | -53.4 | -166.4 | 176 | 0 | 0 | 114.6 | S295 Q296 V307 L308 V312 | S295-E310 CarbonylContact C-O 3.46Å; S295-E310 WeakPolarHBondContact CA-O 3.46Å; S295-E310 WeakPolarHBondContact CA-OE2 3.49Å; S295-E310 PolarHBondContact N-O 3.19Å; S295-E310 VanDerWaalsContact N-O 3.13Å; S295-E310 PolarHBondContact OG-OE2 3.04Å; Q296-E310 HydrophobicContact CB-CB 4.3Å; Q296-E310 HydrophobicContact CG-CB 4.05Å; Q296-E310 HydrophobicContact CG-CG 3.96Å; Q296-E310 PolarHBondContact N-O 3.37Å; V307-E310 PolarHBondContact O-N 3.47Å; L308-E310 PolarHBondContact O-N 2.99Å; L308-E310 VanDerWaalsContact O-N 3.1Å; E310-V312 PolarHBondContact O-N 3.27Å |
| 311 | K | 92.3 | Very high | 87.9 | Confident | 7 Ų | 7 | 50.7 Ų | 50.7 | 3% | 0.03 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 119.2 | -174.5 | -85.9 | -70.5 | -167.2 | -176 | 0 | 112.2 | E256 V262 D292 F293 S294 V307 L308 G309 | E256-K311 WeakPolarHBondContact OE1-CE 3.23Å; E256-K311 IonicContact OE1-NZ 3.19Å; E256-K311 PolarHBondContact OE1-NZ 2.85Å; V262-K311 HydrophobicContact CB-CG 4.05Å; V262-K311 HydrophobicContact CG1-CG 4.12Å; V262-K311 HydrophobicContact CG2-CB 4.44Å; V262-K311 HydrophobicContact CG2-CG 4.17Å; D292-K311 WeakPolarHBondContact OD1-CD 3.29Å; D292-K311 IonicContact OD1-NZ 3.37Å; D292-K311 PolarHBondContact OD1-NZ 3.4Å; D292-K311 IonicContact OD2-NZ 3.59Å; D292-K311 PolarHBondContact OD2-NZ 3.49Å; F293-K311 VanDerWaalsContact O-CA 3.31Å; F293-K311 WeakPolarHBondContact O-CA 3.48Å; S294-K311 WeakPolarHBondContact OG-CE 3.25Å; S294-K311 PolarHBondContact OG-NZ 3.46Å; V307-K311 WeakPolarHBondContact CG1-O 3.31Å; L308-K311 PolarHBondContact O-N 3.47Å; L308-K311 VanDerWaalsContact O-N 3.15Å; G309-K311 PolarHBondContact O-N 3.43Å |
| 312 | V | 94.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 122.8 | 173.4 | -173 | 0 | 0 | 0 | 0 | 109.5 | F293 Q296 F299 E310 W361 F385 A386 | F293-V312 HydrophobicContact CB-CB 4.25Å; F293-V312 WeakPolarHBondContact CB-O 3.44Å; F293-V312 PolarHBondContact N-O 2.97Å; F293-V312 PolarHBondContact O-N 2.93Å; Q296-V312 HydrophobicContact CB-CG2 4.5Å; F299-V312 HydrophobicContact CB-CG2 4.39Å; F299-V312 HydrophobicContact CD1-CG1 4.29Å; F299-V312 HydrophobicContact CD2-CB 3.88Å; F299-V312 HydrophobicContact CD2-CG1 3.76Å; F299-V312 HydrophobicContact CD2-CG2 3.72Å; F299-V312 HydrophobicContact CE1-CG1 4.2Å; F299-V312 HydrophobicContact CE2-CB 3.92Å; F299-V312 HydrophobicContact CE2-CG1 3.65Å; F299-V312 HydrophobicContact CE2-CG2 4.29Å; F299-V312 HydrophobicContact CG-CG1 4.08Å; F299-V312 HydrophobicContact CG-CG2 4.2Å; F299-V312 HydrophobicContact CZ-CG1 3.88Å; E310-V312 PolarHBondContact O-N 3.27Å; V312-W361 HydrophobicContact CG1-CH2 4.23Å; V312-W361 HydrophobicContact CG2-CH2 4.08Å; V312-F385 CarbonylContact C-O 3.47Å; V312-F385 WeakPolarHBondContact CA-O 3.28Å; V312-A386 HydrophobicContact CG2-CB 4.36Å |
| 313 | L | 95.1 | Very high | 87.8 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 107.3 | -173.2 | -163.2 | 59.1 | 0 | 0 | 0 | 111 | Y265 L267 V290 D292 L331 F333 Y384 F385 | Y265-L313 HydrophobicContact CD2-CD2 3.69Å; Y265-L313 HydrophobicContact CE1-CD1 4.45Å; Y265-L313 HydrophobicContact CE2-CD1 4.15Å; Y265-L313 HydrophobicContact CE2-CD2 3.81Å; Y265-L313 HydrophobicContact CG-CD2 4.16Å; L267-L313 HydrophobicContact CD1-CD2 3.96Å; L267-L313 HydrophobicContact CD2-CD2 3.4Å; L267-L313 HydrophobicContact CG-CD2 4.11Å; V290-L313 HydrophobicContact CG1-CD1 3.77Å; V290-L313 HydrophobicContact CG1-CG 4.38Å; D292-L313 HydrophobicContact CB-CD1 3.62Å; L313-L331 HydrophobicContact CD2-CD2 4.24Å; L313-F333 HydrophobicContact CD2-CE1 4.37Å; L313-F333 HydrophobicContact CD2-CZ 4.45Å; L313-Y384 WeakPolarHBondContact O-CA 3.23Å; L313-F385 PolarHBondContact N-O 3.06Å; L313-F385 PolarHBondContact O-N 3.14Å |
| 314 | G | 94.4 | Very high | 88.2 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 122.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V290 V291 | V290-G314 CarbonylContact C-O 3.43Å; V290-G314 VanDerWaalsContact CA-O 3.28Å; V290-G314 WeakPolarHBondContact CA-O 3.49Å; V291-G314 PolarHBondContact N-O 3.18Å; V291-G314 PolarHBondContact O-N 3.47Å |
| 315 | I | 94.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 119.7 | 172.6 | -55.3 | 162.9 | 0 | 0 | 0 | 108.6 | L267 L269 L288 L289 V329 L331 L382 T383 F385 | L267-I315 HydrophobicContact CD1-CD1 4.15Å; L267-I315 HydrophobicContact CD1-CG1 4.36Å; L267-I315 HydrophobicContact CD2-CD1 4.2Å; L269-I315 HydrophobicContact CD1-CG2 4.37Å; L269-I315 HydrophobicContact CD2-CD1 4.27Å; L269-I315 HydrophobicContact CD2-CG2 4.01Å; L288-I315 HydrophobicContact CD1-CG2 4.01Å; L289-I315 WeakPolarHBondContact O-CA 3.41Å; I315-V329 HydrophobicContact CD1-CG1 4.42Å; I315-L331 HydrophobicContact CD1-CD2 3.99Å; I315-L331 HydrophobicContact CD1-CG 4.44Å; I315-L382 HydrophobicContact CB-CD2 4.19Å; I315-L382 HydrophobicContact CG2-CD1 4.42Å; I315-L382 HydrophobicContact CG2-CD2 3.81Å; I315-T383 PolarHBondContact N-O 3Å; I315-F385 HydrophobicContact CD1-CD2 4.17Å; I315-F385 HydrophobicContact CD1-CE2 4.28Å |
| 316 | V | 92.1 | Very high | 88.5 | Confident | 22 Ų | 22 | 48.2 Ų | 48.2 | 13% | 0.133 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 138.5 | -177.6 | -172.3 | 0 | 0 | 0 | 0 | 111.5 | E213 L289 | E213-V316 HydrophobicContact CG-CG1 4.23Å; E213-V316 VanDerWaalsContact OE1-CG1 3.32Å; E213-V316 WeakPolarHBondContact OE1-CG1 3.34Å; L289-V316 HydrophobicContact CB-CB 4.33Å; L289-V316 PolarHBondContact N-O 2.92Å; L289-V316 PolarHBondContact O-N 3.23Å |
| 317 | V | 89 | Confident | 88.6 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 128.2 | 169.9 | 178.6 | 0 | 0 | 0 | 0 | 108.6 | V273 T277 L288 N319 T320 L382 | V273-V317 HydrophobicContact CG1-CG2 3.69Å; T277-V317 HydrophobicContact CG2-CG1 3.57Å; L288-V317 HydrophobicContact CD1-CG2 3.98Å; V317-N319 PolarHBondContact O-N 3.01Å; V317-N319 VanDerWaalsContact O-N 3.11Å; V317-T320 PolarHBondContact O-N 3.31Å; V317-L382 HydrophobicContact CG2-CD1 3.81Å |
| 318 | Q | 85.8 | Confident | 88.8 | Confident | 37 Ų | 37 | 48.2 Ų | 48.2 | 17% | 0.173 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -46.9 | 117.7 | -172 | -178.2 | 178.3 | 16.1 | 0 | 0 | 113.1 | T217 K286 R287 T320 | T217-Q318 HydrophobicContact CG2-CB 3.96Å; T217-Q318 HydrophobicContact CG2-CG 3.77Å; K286-Q318 PolarHBondContact NZ-O 3.44Å; R287-Q318 HydrophobicContact CB-CB 4.29Å; R287-Q318 WeakPolarHBondContact O-CB 3.09Å; R287-Q318 PolarHBondContact O-N 2.9Å; Q318-T320 PolarHBondContact O-N 3.37Å; Q318-T320 PolarHBondContact O-OG1 3.39Å |
| 319 | N | 78 | Confident | 88.9 | Confident | 133 Ų | 133 | 48.1 Ų | 48.1 | 71% | 0.711 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 33.6 | 177.9 | -59.3 | -28 | 0 | 0 | 0 | 113.6 | V317 | V317-N319 PolarHBondContact O-N 3.01Å; V317-N319 VanDerWaalsContact O-N 3.11Å |
| 320 | T | 82 | Confident | 89.3 | Confident | 30 Ų | 30 | 48.8 Ų | 48.8 | 18% | 0.184 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -133.8 | 117.1 | -177.2 | -48.6 | 0 | 0 | 0 | 0 | 110.5 | T277 V317 Q318 V322 | T277-T320 HydrophobicContact CG2-CG2 4.23Å; V317-T320 PolarHBondContact O-N 3.31Å; Q318-T320 PolarHBondContact O-N 3.37Å; Q318-T320 PolarHBondContact O-OG1 3.39Å; T320-V322 HydrophobicContact CG2-CG2 3.89Å |
| 321 | K | 83.1 | Confident | 89.6 | Confident | 189 Ų | 189 | 45 Ų | 45 | 82% | 0.822 | 25% | 0.248 | S | C | * | . | trans | -88.1 | 113.3 | 170.2 | -168.6 | 174.4 | -177.2 | 174.4 | 0 | 108.6 | T323 | K321-T323 HydrophobicContact CG-CG2 4.23Š| ||
| 322 | V | 83 | Confident | 89.7 | Confident | 6 Ų | 6 | 45.7 Ų | 45.7 | 4% | 0.036 | 25% | 0.253 | C | S | . | . | trans | -103.1 | 121.7 | -178.9 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | V273 T320 L325 H381 L382 | V273-V322 HydrophobicContact CG2-CG1 4.39Å; T320-V322 HydrophobicContact CG2-CG2 3.89Å; V322-L325 HydrophobicContact CG1-CD1 3.81Å; V322-L325 HydrophobicContact CG1-CD2 3.59Å; V322-L325 HydrophobicContact CG1-CG 3.71Å; V322-H381 VanDerWaalsContact O-CA 3.23Å; V322-H381 WeakPolarHBondContact O-CA 3.26Å; V322-H381 VanDerWaalsContact O-CB 3.27Å; V322-H381 WeakPolarHBondContact O-CB 3.4Å; V322-L382 HydrophobicContact CB-CB 4.4Å; V322-L382 HydrophobicContact CB-CD1 4.04Å; V322-L382 HydrophobicContact CB-CG 4.11Å; V322-L382 HydrophobicContact CG1-CG 4.47Å; V322-L382 HydrophobicContact CG2-CD1 3.99Å; V322-L382 PolarHBondContact O-N 3.01Å | ||
| 323 | T | 86 | Confident | 89.7 | Confident | 75 Ų | 75 | 46 Ų | 46 | 46% | 0.46 | 25% | 0.254 | S | S | . | . | trans | -146.9 | 155.5 | -177.9 | 56.6 | 0 | 0 | 0 | 0 | 110.2 | K321 L325 N380 H381 | K321-T323 HydrophobicContact CG-CG2 4.23Å; T323-L325 PolarHBondContact O-N 3.36Å; T323-N380 CarbonylContact C-O 3.57Å; T323-H381 HydrophobicContact CG2-CB 4.23Å | ||
| 324 | N | 86.7 | Confident | 89.6 | Confident | 134 Ų | 134 | 48.5 Ų | 48.5 | 72% | 0.717 | 27% | 0.266 | S | S | * | . | S | Bend | trans | 56.8 | 43.1 | 179.5 | -65.2 | -16.2 | 0 | 0 | 0 | 113.7 | N380 | N324-N380 PolarHBondContact N-O 3.23Š|
| 325 | L | 86.3 | Confident | 89.4 | Confident | 22 Ų | 22 | 48.7 Ų | 48.7 | 12% | 0.115 | 27% | 0.267 | C | S | . | . | trans | -63 | 135.8 | 171.8 | -68.2 | 167.7 | 0 | 0 | 0 | 110.9 | A272 V273 V322 T323 D327 V329 N380 | A272-L325 HydrophobicContact CB-CD2 3.99Å; V273-L325 HydrophobicContact CG2-CD1 3.8Å; V273-L325 HydrophobicContact CG2-CD2 4.1Å; V322-L325 HydrophobicContact CG1-CD1 3.81Å; V322-L325 HydrophobicContact CG1-CD2 3.59Å; V322-L325 HydrophobicContact CG1-CG 3.71Å; T323-L325 PolarHBondContact O-N 3.36Å; L325-D327 VanDerWaalsContact CB-O 3.28Å; L325-D327 WeakPolarHBondContact CB-O 3.22Å; L325-V329 HydrophobicContact CD1-CG2 3.72Å; L325-N380 PolarHBondContact N-O 3.38Å | ||
| 326 | S | 87.5 | Confident | 89 | Confident | 120 Ų | 120 | 52.1 Ų | 52.1 | 84% | 0.839 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -70.3 | -46.2 | 174.2 | -52.6 | 0 | 0 | 0 | 0 | 111.5 | ||
| 327 | D | 90.8 | Very high | 88.7 | Confident | 85 Ų | 85 | 55.5 Ų | 55.5 | 46% | 0.455 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -95.2 | 123.2 | 169.6 | -60.7 | -40.8 | 0 | 0 | 0 | 108 | P270 L325 | P270-D327 HydrophobicContact CB-CB 3.99Å; P270-D327 HydrophobicContact CG-CB 4.1Å; P270-D327 WeakPolarHBondContact CG-O 3.5Å; L325-D327 VanDerWaalsContact CB-O 3.28Å; L325-D327 WeakPolarHBondContact CB-O 3.22Å |
| 328 | P | 93.3 | Very high | 88.2 | Confident | 45 Ų | 45 | 57.6 Ų | 57.6 | 29% | 0.292 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 151.6 | -176.2 | 30.2 | -34.6 | 0 | 0 | 0 | 111.9 | P270 L378 C379 | P270-P328 VanDerWaalsContact CG-O 3.27Å; P270-P328 WeakPolarHBondContact CG-O 3.27Å; P328-L378 HydrophobicContact CB-CB 4.08Å; P328-L378 HydrophobicContact CG-CB 4.13Å; P328-L378 HydrophobicContact CG-CD2 4.15Å; P328-C379 CarbonylContact C-O 3.52Å; P328-C379 WeakPolarHBondContact CA-O 3.15Å |
| 329 | V | 94.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 127.1 | 163.8 | 171.9 | 0 | 0 | 0 | 0 | 108.1 | L268 L269 V273 I315 L325 L331 L378 C379 L382 | L268-V329 WeakPolarHBondContact O-CA 3.46Å; L269-V329 HydrophobicContact CD2-CG1 3.68Å; L269-V329 HydrophobicContact CD2-CG2 4.12Å; V273-V329 HydrophobicContact CG2-CG2 4.11Å; I315-V329 HydrophobicContact CD1-CG1 4.42Å; L325-V329 HydrophobicContact CD1-CG2 3.72Å; V329-L331 HydrophobicContact CG1-CD1 3.97Å; V329-L331 HydrophobicContact CG1-CG 4.48Å; V329-L378 WeakPolarHBondContact O-CA 3.49Å; V329-C379 PolarHBondContact N-O 3.48Å; V329-C379 PolarHBondContact O-N 3.28Å; V329-L382 HydrophobicContact CB-CD2 4.41Å; V329-L382 HydrophobicContact CG1-CD2 4.28Å; V329-L382 HydrophobicContact CG2-CD2 3.64Å |
| 330 | V | 96.1 | Very high | 87.3 | Confident | 35 Ų | 35 | 62.8 Ų | 62.8 | 21% | 0.212 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 119 | -179.3 | -171.3 | 0 | 0 | 0 | 0 | 109.5 | L267 L268 C377 L378 | L267-V330 WeakPolarHBondContact CA-O 3.41Å; L268-V330 HydrophobicContact CB-CB 4.12Å; L268-V330 PolarHBondContact N-O 3.36Å; L268-V330 PolarHBondContact O-N 3.08Å; V330-C377 CarbonylContact C-O 3.44Å; V330-C377 VanDerWaalsContact CA-O 3.32Å; V330-C377 WeakPolarHBondContact CA-O 3.35Å; V330-L378 HydrophobicContact CG2-CG 4.29Å |
| 331 | L | 96.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 121.2 | 172.1 | -50.6 | 87.4 | 0 | 0 | 0 | 108.6 | S266 L267 L313 I315 V329 F333 S376 C377 F385 | S266-L331 WeakPolarHBondContact O-CA 3.38Å; L267-L331 HydrophobicContact CD2-CB 3.94Å; L267-L331 HydrophobicContact CD2-CD2 3.81Å; L267-L331 HydrophobicContact CD2-CG 3.73Å; L313-L331 HydrophobicContact CD2-CD2 4.24Å; I315-L331 HydrophobicContact CD1-CD2 3.99Å; I315-L331 HydrophobicContact CD1-CG 4.44Å; V329-L331 HydrophobicContact CG1-CD1 3.97Å; V329-L331 HydrophobicContact CG1-CG 4.48Å; L331-F333 HydrophobicContact CB-CE2 3.83Å; L331-F333 HydrophobicContact CB-CZ 4.16Å; L331-F333 HydrophobicContact CD2-CZ 4.21Å; L331-S376 CarbonylContact O-C 3.58Å; L331-S376 VanDerWaalsContact O-CA 3.28Å; L331-S376 WeakPolarHBondContact O-CA 3.28Å; L331-C377 HydrophobicContact CB-CB 4.17Å; L331-C377 HydrophobicContact CD1-CB 4.09Å; L331-C377 PolarHBondContact N-O 3.07Å; L331-C377 PolarHBondContact O-N 3.19Å; L331-F385 HydrophobicContact CD1-CD2 4.24Å; L331-F385 HydrophobicContact CD1-CG 4.26Å; L331-F385 HydrophobicContact CD2-CB 3.69Å; L331-F385 HydrophobicContact CD2-CD2 3.73Å; L331-F385 HydrophobicContact CD2-CG 3.87Å |
| 332 | T | 95.6 | Very high | 86.4 | Confident | 23 Ų | 23 | 57.7 Ų | 57.7 | 14% | 0.141 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 122.4 | 179.7 | -61.5 | 0 | 0 | 0 | 0 | 109.2 | Y265 S266 Q374 T375 S376 | Y265-T332 CarbonylContact C-O 3.57Å; Y265-T332 WeakPolarHBondContact CA-O 3.49Å; S266-T332 PolarHBondContact N-O 3.08Å; S266-T332 PolarHBondContact O-N 3.01Å; T332-Q374 HydrophobicContact CG2-CG 3.66Å; T332-T375 WeakPolarHBondContact CA-O 3.27Å; T332-S376 PolarHBondContact OG1-OG 2.73Å |
| 333 | F | 94.1 | Very high | 86.5 | Confident | 5 Ų | 5 | 60.8 Ų | 60.8 | 2% | 0.022 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 123.5 | 178.1 | -59.5 | -83.2 | 0 | 0 | 0 | 109.7 | V262 L313 L331 H335 Q374 T375 V387 | V262-F333 HydrophobicContact CG1-CD1 4.45Å; L313-F333 HydrophobicContact CD2-CE1 4.37Å; L313-F333 HydrophobicContact CD2-CZ 4.45Å; L331-F333 HydrophobicContact CB-CE2 3.83Å; L331-F333 HydrophobicContact CB-CZ 4.16Å; L331-F333 HydrophobicContact CD2-CZ 4.21Å; F333-H335 PolarHBondContact O-CD2 3.13Å; F333-Q374 WeakPolarHBondContact O-CA 3.27Å; F333-T375 PolarHBondContact N-O 3.25Å; F333-T375 PolarHBondContact O-N 2.92Å; F333-V387 HydrophobicContact CD2-CG2 3.42Å; F333-V387 VanDerWaalsContact CD2-CG2 3.42Å; F333-V387 HydrophobicContact CE2-CG2 3.68Å; F333-V387 HydrophobicContact CG-CG2 4.17Å |
| 334 | Q | 92.8 | Very high | 86.7 | Confident | 56 Ų | 56 | 57.9 Ų | 57.9 | 26% | 0.262 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 126.4 | 168.9 | -65.6 | 86.8 | -6.4 | 0 | 0 | 108.7 | Q263 A264 | Q263-Q334 PolarHBondContact N-O 3.32Å; A264-Q334 HydrophobicContact CB-CB 4.43Å; A264-Q334 PolarHBondContact O-N 3.46Å; A264-Q334 PolarHBondContact O-OE1 3.42Å |
| 335 | H | 90.5 | Very high | 86.9 | Confident | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.019 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 161.9 | -175.8 | 58.9 | 77.6 | 0 | 0 | 0 | 111.6 | E261 L308 F333 L344 T373 Q374 T375 | E261-H335 CarbonylContact O-C 3.5Å; E261-H335 WeakPolarHBondContact O-CA 3.33Å; E261-H335 WeakPolarHBondContact O-CB 3.5Å; L308-H335 HydrophobicContact CD2-CB 3.9Å; F333-H335 PolarHBondContact O-CD2 3.13Å; H335-L344 VanDerWaalsContact CE1-CD1 3.45Å; H335-L344 WeakPolarHBondContact CE1-CD1 3.19Å; H335-L344 WeakPolarHBondContact NE2-CD1 3.42Å; H335-T373 PolarHBondContact N-O 3.11Å; H335-T373 VanDerWaalsContact N-O 3.13Å; H335-T373 CarbonylContact O-C 3.55Å; H335-T373 WeakPolarHBondContact O-CA 3.4Å; H335-Q374 PolarHBondContact NE2-N 3.47Å; H335-T375 PolarHBondContact NE2-N 2.86Å; H335-T375 PolarHBondContact NE2-OG1 2.91Å |
| 336 | Q | 86.8 | Confident | 87.3 | Confident | 72 Ų | 72 | 54 Ų | 54 | 34% | 0.336 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 150.2 | 170.1 | -64.3 | -173.2 | 12.3 | 0 | 0 | 110.5 | E258 E261 Q338 | E258-Q336 PolarHBondContact O-NE2 3.35Å; E261-Q336 PolarHBondContact O-N 2.86Å; Q336-Q338 PolarHBondContact O-N 3Å; Q336-Q338 PolarHBondContact O-NE2 3.32Å; Q336-Q338 VanDerWaalsContact O-NE2 3.14Å |
| 337 | P | 84.2 | Confident | 87.7 | Confident | 94 Ų | 94 | 48.5 Ų | 48.5 | 61% | 0.61 | 26% | 0.259 | S | S | * | . | P | Polyproline II helix | trans | -61 | 125.2 | 179 | 24.3 | -32.6 | 0 | 0 | 0 | 111.2 | D372 | P337-D372 VanDerWaalsContact CA-O 3.3Å; P337-D372 WeakPolarHBondContact CA-O 3.18Å |
| 338 | Q | 79.9 | Confident | 87.9 | Confident | 44 Ų | 44 | 45.7 Ų | 45.7 | 21% | 0.206 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -85.1 | 149.5 | -178.3 | -63.4 | -59.2 | -43.7 | 0 | 0 | 110.8 | L308 Q336 L344 | L308-Q338 HydrophobicContact CD1-CG 4.02Å; Q336-Q338 PolarHBondContact O-N 3Å; Q336-Q338 PolarHBondContact O-NE2 3.32Å; Q336-Q338 VanDerWaalsContact O-NE2 3.14Å; Q338-L344 HydrophobicContact CG-CD1 4.11Å; Q338-L344 HydrophobicContact CG-CD2 4.23Å; Q338-L344 HydrophobicContact CG-CG 4.49Å |
| 339 | P | 73 | Confident | 87.9 | Confident | 72 Ų | 72 | 44.5 Ų | 44.5 | 47% | 0.468 | 23% | 0.232 | S | C | . | . | P | Polyproline II helix | trans | -64.7 | 147.9 | 179.3 | 27.8 | -33.6 | 0 | 0 | 0 | 110.7 | N341 V342 | P339-N341 WeakPolarHBondContact CB-OD1 3.46Å; P339-N341 WeakPolarHBondContact CG-OD1 3.41Å; P339-N341 PolarHBondContact O-N 3.35Å; P339-N341 PolarHBondContact O-OD1 3.04Å; P339-V342 HydrophobicContact CG-CG2 4.14Å; P339-V342 PolarHBondContact O-N 3.02Å |
| 340 | K | 70.8 | Confident | 87.8 | Confident | 207 Ų | 207 | 47 Ų | 47 | 90% | 0.9 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -16.9 | -170.4 | -66.1 | -174.8 | 177.2 | -176.7 | 0 | 115 | V342 S392 | K340-V342 VanDerWaalsContact C-N 3.3Å; K340-S392 PolarHBondContact O-OG 3.42Å |
| 341 | N | 69.3 | Low | 87.4 | Confident | 79 Ų | 79 | 48.7 Ų | 48.7 | 42% | 0.422 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 7.1 | 177.1 | 64.7 | -33.6 | 0 | 0 | 0 | 113.7 | P339 S391 S392 | P339-N341 WeakPolarHBondContact CB-OD1 3.46Å; P339-N341 WeakPolarHBondContact CG-OD1 3.41Å; P339-N341 PolarHBondContact O-N 3.35Å; P339-N341 PolarHBondContact O-OD1 3.04Å; N341-S391 CarbonylContact O-C 3.48Å; N341-S391 WeakPolarHBondContact O-CA 2.96Å; N341-S392 WeakPolarHBondContact CA-OG 3.46Å; N341-S392 PolarHBondContact O-N 3.36Å; N341-S392 PolarHBondContact O-OG 3.39Å; N341-S392 VanDerWaalsContact O-OG 3.12Å |
| 342 | V | 78.2 | Confident | 86.7 | Confident | 33 Ų | 33 | 53.1 Ų | 53.1 | 20% | 0.2 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 121.4 | 176.1 | 178.2 | 0 | 0 | 0 | 0 | 109 | P339 K340 L344 M389 S392 | P339-V342 HydrophobicContact CG-CG2 4.14Å; P339-V342 PolarHBondContact O-N 3.02Å; K340-V342 VanDerWaalsContact C-N 3.3Å; V342-L344 HydrophobicContact CG1-CD2 4.22Å; V342-M389 HydrophobicContact CG1-CB 3.71Å; V342-M389 HydrophobicContact CG1-CG 4.03Å; V342-S392 PolarHBondContact N-OG 2.94Å |
| 343 | T | 84.1 | Confident | 85.8 | Confident | 71 Ų | 71 | 58.3 Ų | 58.3 | 44% | 0.436 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 130.2 | 168.1 | 43.8 | 0 | 0 | 0 | 0 | 109.6 | V390 | T343-V390 PolarHBondContact N-O 3.31Å; T343-V390 PolarHBondContact O-N 3.26Å; T343-V390 VanDerWaalsContact O-O 3.13Å; T343-V390 PolarHBondContact OG1-O 3.13Å |
| 344 | L | 90.4 | Very high | 84.8 | Confident | 15 Ų | 15 | 62.6 Ų | 62.6 | 8% | 0.079 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 129.4 | 176.8 | -60.7 | 179.4 | 0 | 0 | 0 | 109.6 | L308 H335 Q338 V342 T368 T375 V387 M389 | L308-L344 HydrophobicContact CD1-CD2 4.14Å; L308-L344 HydrophobicContact CD2-CD1 4.13Å; L308-L344 HydrophobicContact CD2-CD2 4.29Å; H335-L344 VanDerWaalsContact CE1-CD1 3.45Å; H335-L344 WeakPolarHBondContact CE1-CD1 3.19Å; H335-L344 WeakPolarHBondContact NE2-CD1 3.42Å; Q338-L344 HydrophobicContact CG-CD1 4.11Å; Q338-L344 HydrophobicContact CG-CD2 4.23Å; Q338-L344 HydrophobicContact CG-CG 4.49Å; V342-L344 HydrophobicContact CG1-CD2 4.22Å; L344-T368 WeakPolarHBondContact O-CG2 3.39Å; L344-T375 HydrophobicContact CB-CG2 4.41Å; L344-T375 WeakPolarHBondContact CD1-OG1 3.46Å; L344-V387 HydrophobicContact CB-CG1 3.77Å; L344-V387 HydrophobicContact CD2-CG1 4.06Å; L344-V387 HydrophobicContact CG-CG1 4.32Å; L344-M389 HydrophobicContact CD2-CG 3.83Å |
| 345 | Q | 91.8 | Very high | 83.6 | Confident | 73 Ų | 73 | 61.7 Ų | 61.7 | 34% | 0.341 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 124.3 | 179.3 | -172.9 | 172.8 | 24.5 | 0 | 0 | 110.6 | V347 S363 V387 L388 V390 | Q345-V347 HydrophobicContact CG-CG1 4.24Å; Q345-V347 PolarHBondContact O-N 3.2Å; Q345-S363 PolarHBondContact NE2-OG 3.32Å; Q345-V387 CarbonylContact O-C 3.55Å; Q345-L388 PolarHBondContact N-O 3.33Å; Q345-L388 PolarHBondContact O-N 2.83Å; Q345-V390 HydrophobicContact CB-CG2 4.03Å |
| 346 | C | 94.6 | Very high | 82.7 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.007 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 127.3 | 172.3 | -62.9 | 0 | 0 | 0 | 0 | 110.5 | T368 C377 | C346-T368 HydrophobicContact CB-CG2 4.36Å; C346-T368 VanDerWaalsContact CB-OG1 3.26Å; C346-T368 WeakPolarHBondContact CB-OG1 3.44Å; C346-T368 PolarHBondContact N-OG1 3.37Å; C346-C377 HydrophobicContact CB-CB 3.5Å; C346-C377 WeakPolarHBondContact CB-SG 3.43Å; C346-C377 WeakPolarHBondContact SG-CA 3.44Å; C346-C377 WeakPolarHBondContact SG-CB 3.38Å; C346-C377 CovalentContact SG-SG 2.02Å; C346-C377 PolarHBondContact SG-SG 3.23Å |
| 347 | V | 95.4 | Very high | 82.2 | Confident | 5 Ų | 5 | 65.9 Ų | 65.9 | 3% | 0.03 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 163.5 | -178.2 | -64 | 0 | 0 | 0 | 0 | 110.6 | Q345 W361 S362 F385 A386 L388 | Q345-V347 HydrophobicContact CG-CG1 4.24Å; Q345-V347 PolarHBondContact O-N 3.2Å; V347-W361 HydrophobicContact CB-CB 4.01Å; V347-W361 HydrophobicContact CB-CE3 4.27Å; V347-W361 HydrophobicContact CG1-CB 4.29Å; V347-W361 HydrophobicContact CG2-CB 3.99Å; V347-W361 HydrophobicContact CG2-CD2 3.88Å; V347-W361 HydrophobicContact CG2-CE3 3.57Å; V347-W361 HydrophobicContact CG2-CG 4.09Å; V347-W361 HydrophobicContact CG2-CZ3 4.34Å; V347-S362 CarbonylContact C-O 3.58Å; V347-S362 WeakPolarHBondContact CA-O 3.33Å; V347-S362 WeakPolarHBondContact CB-O 3.22Å; V347-F385 WeakPolarHBondContact O-CA 3.22Å; V347-A386 HydrophobicContact CG2-CB 4.11Å; V347-A386 WeakPolarHBondContact CG2-O 3.44Å; V347-A386 PolarHBondContact N-O 3.2Å; V347-A386 PolarHBondContact O-N 3.29Å; V347-A386 VanDerWaalsContact O-O 3.09Å; V347-L388 HydrophobicContact CG1-CB 4.08Å; V347-L388 HydrophobicContact CG1-CD2 4.44Å; V347-L388 HydrophobicContact CG2-CB 3.83Å |
| 348 | F | 94.9 | Very high | 82.1 | Confident | 25 Ų | 25 | 64.2 Ų | 64.2 | 11% | 0.11 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 154.9 | 169.8 | 71 | -79.7 | 0 | 0 | 0 | 111.1 | V350 S362 A364 H381 T383 Y384 F385 | F348-V350 HydrophobicContact CD2-CG2 3.72Å; F348-V350 HydrophobicContact CE2-CG2 3.21Å; F348-V350 HydrophobicContact CZ-CG2 3.71Å; F348-S362 WeakPolarHBondContact CD1-O 3.45Å; F348-S362 WeakPolarHBondContact CE1-O 3.26Å; F348-S362 PolarHBondContact N-O 2.9Å; F348-S362 PolarHBondContact O-N 3.05Å; F348-A364 HydrophobicContact CE1-CB 4.19Å; F348-A364 WeakPolarHBondContact CE1-O 3.21Å; F348-A364 HydrophobicContact CZ-CB 4.42Å; F348-H381 AromaticContact CD1-CE1 3.83Å; F348-H381 AromaticContact CD1-NE2 3.4Å; F348-H381 WeakPolarHBondContact CD1-NE2 3.33Å; F348-H381 AromaticContact CD2-NE2 3.71Å; F348-H381 AromaticContact CE1-CE1 3.78Å; F348-H381 AromaticContact CE1-NE2 3.62Å; F348-H381 AromaticContact CE2-NE2 3.85Å; F348-H381 AromaticContact CG-NE2 3.46Å; F348-H381 WeakPolarHBondContact CG-NE2 2.96Å; F348-H381 AromaticContact CZ-NE2 3.83Å; F348-T383 WeakPolarHBondContact CB-OG1 3.34Å; F348-T383 HydrophobicContact CD2-CG2 4.05Å; F348-Y384 CarbonylContact C-O 3.55Å; F348-Y384 WeakPolarHBondContact CA-O 3.45Å; F348-Y384 WeakPolarHBondContact CB-O 3.24Å; F348-F385 HydrophobicContact CB-CD1 3.7Å; F348-F385 HydrophobicContact CB-CE1 3.83Å |
| 349 | W | 94.2 | Very high | 82.4 | Confident | 20 Ų | 20 | 62.5 Ų | 62.5 | 8% | 0.076 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 125.5 | -178.1 | -170.8 | -112.2 | 0 | 0 | 0 | 111.3 | F299 D301 E351 G359 W361 Y384 | F299-W349 HydrophobicContact CB-CD2 4.31Å; F299-W349 HydrophobicContact CB-CE3 4.08Å; F299-W349 HydrophobicContact CB-CH2 4.49Å; F299-W349 HydrophobicContact CB-CZ3 4.18Å; F299-W349 HydrophobicContact CD1-CB 4.14Å; F299-W349 AromaticContact CD1-CD1 3.77Å; F299-W349 AromaticContact CD1-CD2 3.7Å; F299-W349 HydrophobicContact CD1-CD2 3.7Å; F299-W349 AromaticContact CD1-CE2 3.91Å; F299-W349 HydrophobicContact CD1-CE3 4.27Å; F299-W349 AromaticContact CD1-CG 3.61Å; F299-W349 HydrophobicContact CD1-CG 3.61Å; F299-W349 AromaticContact CD1-NE1 3.92Å; F299-W349 HydrophobicContact CE1-CB 4.44Å; F299-W349 AromaticContact CE1-CD1 3.98Å; F299-W349 HydrophobicContact CE1-CG 4.11Å; D301-W349 HydrophobicContact CB-CH2 4.5Å; D301-W349 HydrophobicContact CB-CZ3 4.3Å; W349-E351 VanDerWaalsContact CD1-OE1 3.3Å; W349-E351 VanDerWaalsContact NE1-CG 3.32Å; W349-E351 PolarHBondContact NE1-OE1 3Å; W349-G359 VanDerWaalsContact CZ2-CA 3.49Å; W349-W361 HydrophobicContact CB-CE3 4.26Å; W349-W361 HydrophobicContact CB-CH2 4.39Å; W349-W361 HydrophobicContact CB-CZ3 3.79Å; W349-W361 HydrophobicContact CD2-CH2 4.48Å; W349-W361 HydrophobicContact CD2-CZ3 4.47Å; W349-W361 AromaticContact CE3-CD2 3.68Å; W349-W361 HydrophobicContact CE3-CD2 3.68Å; W349-W361 AromaticContact CE3-CE2 3.59Å; W349-W361 AromaticContact CE3-CE3 3.78Å; W349-W361 HydrophobicContact CE3-CE3 3.78Å; W349-W361 HydrophobicContact CE3-CG 4.38Å; W349-W361 AromaticContact CE3-CH2 3.76Å; W349-W361 HydrophobicContact CE3-CH2 3.76Å; W349-W361 AromaticContact CE3-CZ2 3.65Å; W349-W361 HydrophobicContact CE3-CZ2 3.65Å; W349-W361 AromaticContact CE3-CZ3 3.82Å; W349-W361 HydrophobicContact CE3-CZ3 3.82Å; W349-W361 HydrophobicContact CZ3-CD2 4.07Å; W349-W361 AromaticContact CZ3-CE2 3.68Å; W349-W361 HydrophobicContact CZ3-CG 4.47Å; W349-W361 HydrophobicContact CZ3-CH2 4.47Å; W349-W361 AromaticContact CZ3-CZ2 3.92Å; W349-W361 HydrophobicContact CZ3-CZ2 3.92Å; W349-W361 AromaticContact CZ3-NE1 3.85Å; W349-Y384 PolarHBondContact N-O 2.81Å |
| 350 | V | 91.4 | Very high | 83.2 | Confident | 53 Ų | 53 | 62.1 Ų | 62.1 | 32% | 0.321 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 130.6 | 177 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | F348 G359 S360 | F348-V350 HydrophobicContact CD2-CG2 3.72Å; F348-V350 HydrophobicContact CE2-CG2 3.21Å; F348-V350 HydrophobicContact CZ-CG2 3.71Å; V350-G359 CarbonylContact O-C 3.48Å; V350-G359 VanDerWaalsContact O-CA 3.22Å; V350-G359 WeakPolarHBondContact O-CA 3.48Å; V350-S360 PolarHBondContact N-O 2.75Å; V350-S360 PolarHBondContact O-N 3.01Å |
| 351 | E | 86.9 | Confident | 84.2 | Confident | 70 Ų | 70 | 53.6 Ų | 53.6 | 33% | 0.327 | 33% | 0.328 | S | S | . | . | trans | -116.9 | 133.6 | 172.7 | -62.4 | 178.6 | -161.3 | 0 | 0 | 109.1 | S206 W349 P353 | S206-E351 WeakPolarHBondContact CB-OE2 3.3Å; S206-E351 PolarHBondContact OG-OE2 2.94Å; W349-E351 VanDerWaalsContact CD1-OE1 3.3Å; W349-E351 VanDerWaalsContact NE1-CG 3.32Å; W349-E351 PolarHBondContact NE1-OE1 3Å; E351-P353 WeakPolarHBondContact O-CD 2.98Å | ||
| 352 | D | 81.9 | Confident | 85.3 | Confident | 94 Ų | 94 | 51.5 Ų | 51.5 | 50% | 0.503 | 32% | 0.319 | S | S | . | . | trans | -88.6 | 110.2 | 171.1 | 178.2 | -0.9 | 0 | 0 | 0 | 108.8 | A354 S355 | D352-A354 PolarHBondContact O-N 2.82Å; D352-A354 PolarHBondContact OD1-N 3.17Å; D352-S355 PolarHBondContact O-N 3.31Å; D352-S355 VanDerWaalsContact O-N 3.08Å; D352-S355 PolarHBondContact O-OG 3.21Å | ||
| 353 | P | 76.5 | Confident | 86 | Confident | 131 Ų | 131 | 52.2 Ų | 52.2 | 85% | 0.851 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -21.4 | -174.8 | 28 | -36.1 | 0 | 0 | 0 | 113.6 | E351 | E351-P353 WeakPolarHBondContact O-CD 2.98Š|
| 354 | A | 72.7 | Confident | 86.4 | Confident | 95 Ų | 95 | 51.8 Ų | 51.8 | 79% | 0.785 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -20.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D352 | D352-A354 PolarHBondContact O-N 2.82Å; D352-A354 PolarHBondContact OD1-N 3.17Å |
| 355 | S | 68 | Low | 86.4 | Confident | 37 Ų | 37 | 52.8 Ų | 52.8 | 26% | 0.259 | 34% | 0.343 | S | S | . | . | trans | -101.4 | 134.3 | -178.5 | 87.4 | 0 | 0 | 0 | 0 | 110.1 | D352 S357 | D352-S355 PolarHBondContact O-N 3.31Å; D352-S355 VanDerWaalsContact O-N 3.08Å; D352-S355 PolarHBondContact O-OG 3.21Å; S355-S357 PolarHBondContact O-N 2.74Å; S355-S357 VanDerWaalsContact O-N 3.12Å; S355-S357 WeakPolarHBondContact OG-CB 3.44Å; S355-S357 PolarHBondContact OG-N 3.2Å; S355-S357 PolarHBondContact OG-OG 2.99Å | ||
| 356 | S | 72.2 | Confident | 86.5 | Confident | 109 Ų | 109 | 50 Ų | 50 | 76% | 0.762 | 33% | 0.332 | S | S | * | . | trans | -76.3 | 16.5 | 163.7 | 56.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 357 | S | 76.9 | Confident | 86.5 | Confident | 55 Ų | 55 | 56.1 Ų | 56.1 | 39% | 0.385 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -83.6 | 161.9 | -173.9 | 84.3 | 0 | 0 | 0 | 0 | 111.6 | A202 S355 | A202-S357 WeakPolarHBondContact CB-O 3.07Å; S355-S357 PolarHBondContact O-N 2.74Å; S355-S357 VanDerWaalsContact O-N 3.12Å; S355-S357 WeakPolarHBondContact OG-CB 3.44Å; S355-S357 PolarHBondContact OG-N 3.2Å; S355-S357 PolarHBondContact OG-OG 2.99Å |
| 358 | T | 80.9 | Confident | 86.4 | Confident | 60 Ų | 60 | 58 Ų | 58 | 37% | 0.368 | 37% | 0.372 | S | S | . | . | trans | -63 | 139.3 | 175.8 | 52.3 | 0 | 0 | 0 | 0 | 110.2 | A202 K302 | A202-T358 HydrophobicContact CB-CG2 4.47Å; K302-T358 VanDerWaalsContact CG-OG1 3.23Å; K302-T358 WeakPolarHBondContact CG-OG1 3.32Å | ||
| 359 | G | 85.8 | Confident | 86.3 | Confident | 7 Ų | 7 | 59.6 Ų | 59.6 | 7% | 0.072 | 38% | 0.383 | C | S | . | . | trans | -61.5 | 174.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D301 W349 V350 | D301-G359 WeakPolarHBondContact CA-O 3.26Å; W349-G359 VanDerWaalsContact CZ2-CA 3.49Å; V350-G359 CarbonylContact O-C 3.48Å; V350-G359 VanDerWaalsContact O-CA 3.22Å; V350-G359 WeakPolarHBondContact O-CA 3.48Å | ||
| 360 | S | 91.1 | Very high | 86 | Confident | 64 Ų | 64 | 61.6 Ų | 61.6 | 45% | 0.448 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 157.2 | 178.5 | 60.7 | 0 | 0 | 0 | 0 | 111.7 | V350 | V350-S360 PolarHBondContact N-O 2.75Å; V350-S360 PolarHBondContact O-N 3.01Å |
| 361 | W | 92.3 | Very high | 85.9 | Confident | 29 Ų | 29 | 66.7 Ų | 66.7 | 11% | 0.11 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 132.8 | 172.6 | -62.2 | 112.2 | 0 | 0 | 0 | 110.5 | F299 V307 V312 V347 W349 A386 L388 | F299-W361 HydrophobicContact CB-CH2 3.65Å; F299-W361 HydrophobicContact CB-CZ2 3.52Å; F299-W361 HydrophobicContact CD1-CH2 4.4Å; F299-W361 HydrophobicContact CG-CH2 4.16Å; F299-W361 HydrophobicContact CG-CZ2 4.49Å; F299-W361 WeakPolarHBondContact O-CZ2 3.27Å; V307-W361 HydrophobicContact CG2-CH2 4.33Å; V307-W361 HydrophobicContact CG2-CZ2 3.72Å; V312-W361 HydrophobicContact CG1-CH2 4.23Å; V312-W361 HydrophobicContact CG2-CH2 4.08Å; V347-W361 HydrophobicContact CB-CB 4.01Å; V347-W361 HydrophobicContact CB-CE3 4.27Å; V347-W361 HydrophobicContact CG1-CB 4.29Å; V347-W361 HydrophobicContact CG2-CB 3.99Å; V347-W361 HydrophobicContact CG2-CD2 3.88Å; V347-W361 HydrophobicContact CG2-CE3 3.57Å; V347-W361 HydrophobicContact CG2-CG 4.09Å; V347-W361 HydrophobicContact CG2-CZ3 4.34Å; W349-W361 HydrophobicContact CB-CE3 4.26Å; W349-W361 HydrophobicContact CB-CH2 4.39Å; W349-W361 HydrophobicContact CB-CZ3 3.79Å; W349-W361 HydrophobicContact CD2-CH2 4.48Å; W349-W361 HydrophobicContact CD2-CZ3 4.47Å; W349-W361 AromaticContact CE3-CD2 3.68Å; W349-W361 HydrophobicContact CE3-CD2 3.68Å; W349-W361 AromaticContact CE3-CE2 3.59Å; W349-W361 AromaticContact CE3-CE3 3.78Å; W349-W361 HydrophobicContact CE3-CE3 3.78Å; W349-W361 HydrophobicContact CE3-CG 4.38Å; W349-W361 AromaticContact CE3-CH2 3.76Å; W349-W361 HydrophobicContact CE3-CH2 3.76Å; W349-W361 AromaticContact CE3-CZ2 3.65Å; W349-W361 HydrophobicContact CE3-CZ2 3.65Å; W349-W361 AromaticContact CE3-CZ3 3.82Å; W349-W361 HydrophobicContact CE3-CZ3 3.82Å; W349-W361 HydrophobicContact CZ3-CD2 4.07Å; W349-W361 AromaticContact CZ3-CE2 3.68Å; W349-W361 HydrophobicContact CZ3-CG 4.47Å; W349-W361 HydrophobicContact CZ3-CH2 4.47Å; W349-W361 AromaticContact CZ3-CZ2 3.92Å; W349-W361 HydrophobicContact CZ3-CZ2 3.92Å; W349-W361 AromaticContact CZ3-NE1 3.85Å; W361-A386 HydrophobicContact CE3-CB 4.29Å; W361-A386 HydrophobicContact CH2-CB 3.72Å; W361-A386 HydrophobicContact CZ2-CB 4.44Å; W361-A386 HydrophobicContact CZ3-CB 3.63Å; W361-L388 HydrophobicContact CG-CD1 4.4Å |
| 362 | S | 92.4 | Very high | 85.8 | Confident | 34 Ų | 34 | 69.9 Ų | 69.9 | 24% | 0.238 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 144.4 | 175 | -179 | 0 | 0 | 0 | 0 | 110.4 | V347 F348 A364 | V347-S362 CarbonylContact C-O 3.58Å; V347-S362 WeakPolarHBondContact CA-O 3.33Å; V347-S362 WeakPolarHBondContact CB-O 3.22Å; F348-S362 WeakPolarHBondContact CD1-O 3.45Å; F348-S362 WeakPolarHBondContact CE1-O 3.26Å; F348-S362 PolarHBondContact N-O 2.9Å; F348-S362 PolarHBondContact O-N 3.05Å; S362-A364 WeakPolarHBondContact OG-CB 3.27Å; S362-A364 PolarHBondContact OG-N 2.76Å |
| 363 | S | 92.8 | Very high | 86.2 | Confident | 48 Ų | 48 | 69.4 Ų | 69.4 | 34% | 0.336 | 43% | 0.434 | S | S | . | . | trans | -103.1 | 7.3 | 172.2 | 52.1 | 0 | 0 | 0 | 0 | 112.7 | Q345 G365 C366 | Q345-S363 PolarHBondContact NE2-OG 3.32Å; S363-G365 PolarHBondContact O-N 2.75Å; S363-C366 PolarHBondContact O-N 2.91Å; S363-C366 VanDerWaalsContact O-N 3.07Å | ||
| 364 | A | 92.4 | Very high | 86.9 | Confident | 62 Ų | 62 | 65.8 Ų | 65.8 | 51% | 0.512 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 117.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F348 S362 C366 H381 | F348-A364 HydrophobicContact CE1-CB 4.19Å; F348-A364 WeakPolarHBondContact CE1-O 3.21Å; F348-A364 HydrophobicContact CZ-CB 4.42Å; S362-A364 WeakPolarHBondContact OG-CB 3.27Å; S362-A364 PolarHBondContact OG-N 2.76Å; A364-C366 VanDerWaalsContact C-N 3.32Å; A364-H381 PolarHBondContact O-CE1 3.22Å |
| 365 | G | 90 | Very high | 87.9 | Confident | 36 Ų | 36 | 61.2 Ų | 61.2 | 37% | 0.371 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | 11.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S363 C379 N380 | S363-G365 PolarHBondContact O-N 2.75Å; G365-C379 CarbonylContact O-C 3.57Å; G365-C379 VanDerWaalsContact O-CA 3.28Å; G365-C379 WeakPolarHBondContact O-CA 3.41Å; G365-N380 PolarHBondContact O-N 3.29Å; G365-N380 PolarHBondContact O-OD1 3.26Å |
| 366 | C | 94.1 | Very high | 89.2 | Confident | 15 Ų | 15 | 60.4 Ų | 60.4 | 10% | 0.101 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 122.5 | 172 | -72 | 0 | 0 | 0 | 0 | 110.9 | S363 A364 L378 C379 | S363-C366 PolarHBondContact O-N 2.91Å; S363-C366 VanDerWaalsContact O-N 3.07Å; A364-C366 VanDerWaalsContact C-N 3.32Å; C366-L378 CarbonylContact C-O 3.49Å; C366-L378 WeakPolarHBondContact CA-O 3.35Å; C366-C379 HydrophobicContact CB-CB 4.21Å; C366-C379 WeakPolarHBondContact CB-SG 3.37Å; C366-C379 WeakPolarHBondContact SG-CB 3.22Å; C366-C379 CovalentContact SG-SG 2.05Å; C366-C379 PolarHBondContact SG-SG 3.23Å |
| 367 | E | 94.1 | Very high | 90.3 | Very high | 130 Ų | 130 | 55.3 Ų | 55.3 | 61% | 0.607 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 140.5 | 171.9 | -172.6 | 177.3 | 179 | 0 | 0 | 110.3 | C377 L378 | E367-C377 WeakPolarHBondContact O-CA 3.28Å; E367-L378 HydrophobicContact CB-CB 4.33Å; E367-L378 PolarHBondContact N-O 3.18Å; E367-L378 PolarHBondContact O-N 3.45Å |
| 368 | T | 93.6 | Very high | 91.2 | Very high | 43 Ų | 43 | 55 Ų | 55 | 26% | 0.264 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 124.2 | -179 | -50.6 | 0 | 0 | 0 | 0 | 111 | L344 C346 T375 | L344-T368 WeakPolarHBondContact O-CG2 3.39Å; C346-T368 HydrophobicContact CB-CG2 4.36Å; C346-T368 VanDerWaalsContact CB-OG1 3.26Å; C346-T368 WeakPolarHBondContact CB-OG1 3.44Å; C346-T368 PolarHBondContact N-OG1 3.37Å; T368-T375 HydrophobicContact CG2-CG2 3.95Å |
| 369 | V | 92.3 | Very high | 91.9 | Very high | 59 Ų | 59 | 52.1 Ų | 52.1 | 36% | 0.358 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 94.1 | 171.1 | -177.8 | 0 | 0 | 0 | 0 | 107.8 | T375 S376 L378 | V369-T375 WeakPolarHBondContact O-CA 3.47Å; V369-S376 PolarHBondContact N-O 3.08Å; V369-S376 PolarHBondContact O-N 3.08Å; V369-L378 HydrophobicContact CB-CD1 4.49Å; V369-L378 HydrophobicContact CG2-CD1 3.71Å |
| 370 | S | 88.3 | Confident | 92.3 | Very high | 63 Ų | 63 | 54.1 Ų | 54.1 | 44% | 0.441 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 127 | 179.9 | -178.1 | 0 | 0 | 0 | 0 | 111.1 | ||
| 371 | R | 88.3 | Confident | 92.4 | Very high | 159 Ų | 159 | 51.8 Ų | 51.8 | 60% | 0.6 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 166.6 | 170.4 | -58.2 | 176.9 | 172.1 | 177.7 | -5.1 | 108.5 | T373 Q374 | R371-T373 VanDerWaalsContact C-N 3.29Å; R371-T373 PolarHBondContact O-N 3.31Å; R371-T373 VanDerWaalsContact O-N 3.11Å; R371-Q374 CarbonylContact C-O 2.95Å; R371-Q374 WeakPolarHBondContact CA-O 3.14Å; R371-Q374 HydrophobicContact CB-CB 4.48Å; R371-Q374 VanDerWaalsContact CB-O 3.28Å; R371-Q374 WeakPolarHBondContact CB-O 3.43Å; R371-Q374 PolarHBondContact N-O 3.48Å; R371-Q374 PolarHBondContact O-N 3.22Å |
| 372 | D | 84.9 | Confident | 92.3 | Very high | 138 Ų | 138 | 51.4 Ų | 51.4 | 74% | 0.738 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | -42.8 | -173.6 | -66.9 | -11.8 | 0 | 0 | 0 | 114.2 | P337 | P337-D372 VanDerWaalsContact CA-O 3.3Å; P337-D372 WeakPolarHBondContact CA-O 3.18Å |
| 373 | T | 89.8 | Confident | 92.2 | Very high | 84 Ų | 84 | 51.6 Ų | 51.6 | 52% | 0.515 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | 11.7 | -177.1 | 65.6 | 0 | 0 | 0 | 0 | 113.5 | H335 R371 | H335-T373 PolarHBondContact N-O 3.11Å; H335-T373 VanDerWaalsContact N-O 3.13Å; H335-T373 CarbonylContact O-C 3.55Å; H335-T373 WeakPolarHBondContact O-CA 3.4Å; R371-T373 VanDerWaalsContact C-N 3.29Å; R371-T373 PolarHBondContact O-N 3.31Å; R371-T373 VanDerWaalsContact O-N 3.11Å |
| 374 | Q | 92.6 | Very high | 92.2 | Very high | 54 Ų | 54 | 50.6 Ų | 50.6 | 25% | 0.252 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 129.2 | -173.8 | 179 | -178.6 | 57.3 | 0 | 0 | 110.6 | T332 F333 H335 R371 | T332-Q374 HydrophobicContact CG2-CG 3.66Å; F333-Q374 WeakPolarHBondContact O-CA 3.27Å; H335-Q374 PolarHBondContact NE2-N 3.47Å; R371-Q374 CarbonylContact C-O 2.95Å; R371-Q374 WeakPolarHBondContact CA-O 3.14Å; R371-Q374 HydrophobicContact CB-CB 4.48Å; R371-Q374 VanDerWaalsContact CB-O 3.28Å; R371-Q374 WeakPolarHBondContact CB-O 3.43Å; R371-Q374 PolarHBondContact N-O 3.48Å; R371-Q374 PolarHBondContact O-N 3.22Å |
| 375 | T | 93.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 130.1 | 172.6 | -64.1 | 0 | 0 | 0 | 0 | 109.9 | T332 F333 H335 L344 T368 V369 V387 | T332-T375 WeakPolarHBondContact CA-O 3.27Å; F333-T375 PolarHBondContact N-O 3.25Å; F333-T375 PolarHBondContact O-N 2.92Å; H335-T375 PolarHBondContact NE2-N 2.86Å; H335-T375 PolarHBondContact NE2-OG1 2.91Å; L344-T375 HydrophobicContact CB-CG2 4.41Å; L344-T375 WeakPolarHBondContact CD1-OG1 3.46Å; T368-T375 HydrophobicContact CG2-CG2 3.95Å; V369-T375 WeakPolarHBondContact O-CA 3.47Å; T375-V387 HydrophobicContact CG2-CG1 4.13Å; T375-V387 HydrophobicContact CG2-CG2 4.26Å |
| 376 | S | 95.3 | Very high | 92.5 | Very high | 20 Ų | 20 | 46 Ų | 46 | 14% | 0.14 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 133.2 | 175.7 | -58 | 0 | 0 | 0 | 0 | 111.3 | L331 T332 V369 | L331-S376 CarbonylContact O-C 3.58Å; L331-S376 VanDerWaalsContact O-CA 3.28Å; L331-S376 WeakPolarHBondContact O-CA 3.28Å; T332-S376 PolarHBondContact OG1-OG 2.73Å; V369-S376 PolarHBondContact N-O 3.08Å; V369-S376 PolarHBondContact O-N 3.08Å |
| 377 | C | 95.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.007 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 120.1 | 179.4 | -55.2 | 0 | 0 | 0 | 0 | 109.3 | V330 L331 C346 E367 | V330-C377 CarbonylContact C-O 3.44Å; V330-C377 VanDerWaalsContact CA-O 3.32Å; V330-C377 WeakPolarHBondContact CA-O 3.35Å; L331-C377 HydrophobicContact CB-CB 4.17Å; L331-C377 HydrophobicContact CD1-CB 4.09Å; L331-C377 PolarHBondContact N-O 3.07Å; L331-C377 PolarHBondContact O-N 3.19Å; C346-C377 HydrophobicContact CB-CB 3.5Å; C346-C377 WeakPolarHBondContact CB-SG 3.43Å; C346-C377 WeakPolarHBondContact SG-CA 3.44Å; C346-C377 WeakPolarHBondContact SG-CB 3.38Å; C346-C377 CovalentContact SG-SG 2.02Å; C346-C377 PolarHBondContact SG-SG 3.23Å; E367-C377 WeakPolarHBondContact O-CA 3.28Å |
| 378 | L | 95.7 | Very high | 92.4 | Very high | 49 Ų | 49 | 40.2 Ų | 40.2 | 26% | 0.257 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 101.8 | 178.6 | -62.2 | 85.8 | 0 | 0 | 0 | 108.5 | P328 V329 V330 C366 E367 V369 | P328-L378 HydrophobicContact CB-CB 4.08Å; P328-L378 HydrophobicContact CG-CB 4.13Å; P328-L378 HydrophobicContact CG-CD2 4.15Å; V329-L378 WeakPolarHBondContact O-CA 3.49Å; V330-L378 HydrophobicContact CG2-CG 4.29Å; C366-L378 CarbonylContact C-O 3.49Å; C366-L378 WeakPolarHBondContact CA-O 3.35Å; E367-L378 HydrophobicContact CB-CB 4.33Å; E367-L378 PolarHBondContact N-O 3.18Å; E367-L378 PolarHBondContact O-N 3.45Å; V369-L378 HydrophobicContact CB-CD1 4.49Å; V369-L378 HydrophobicContact CG2-CD1 3.71Å |
| 379 | C | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 139.7 | -173.2 | -62.8 | 0 | 0 | 0 | 0 | 112.1 | P328 V329 G365 C366 F385 | P328-C379 CarbonylContact C-O 3.52Å; P328-C379 WeakPolarHBondContact CA-O 3.15Å; V329-C379 PolarHBondContact N-O 3.48Å; V329-C379 PolarHBondContact O-N 3.28Å; G365-C379 CarbonylContact O-C 3.57Å; G365-C379 VanDerWaalsContact O-CA 3.28Å; G365-C379 WeakPolarHBondContact O-CA 3.41Å; C366-C379 HydrophobicContact CB-CB 4.21Å; C366-C379 WeakPolarHBondContact CB-SG 3.37Å; C366-C379 WeakPolarHBondContact SG-CB 3.22Å; C366-C379 CovalentContact SG-SG 2.05Å; C366-C379 PolarHBondContact SG-SG 3.23Å; C379-F385 HydrophobicContact CB-CD1 4.48Å; C379-F385 HydrophobicContact CB-CE1 3.7Å; C379-F385 HydrophobicContact CB-CZ 3.99Å; C379-F385 WeakPolarHBondContact SG-CE1 3.43Å |
| 380 | N | 93.7 | Very high | 91.4 | Very high | 49 Ų | 49 | 39.2 Ų | 39.2 | 26% | 0.262 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -93.6 | 13.6 | -178 | 67.2 | 6.1 | 0 | 0 | 0 | 114.5 | T323 N324 L325 G365 | T323-N380 CarbonylContact C-O 3.57Å; N324-N380 PolarHBondContact N-O 3.23Å; L325-N380 PolarHBondContact N-O 3.38Å; G365-N380 PolarHBondContact O-N 3.29Å; G365-N380 PolarHBondContact O-OD1 3.26Å |
| 381 | H | 92.7 | Very high | 90.2 | Very high | 15 Ų | 15 | 40.2 Ų | 40.2 | 7% | 0.069 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -149 | 176.7 | -177.3 | 58.1 | -85.9 | 0 | 0 | 0 | 110.4 | V322 T323 F348 A364 T383 F385 | V322-H381 VanDerWaalsContact O-CA 3.23Å; V322-H381 WeakPolarHBondContact O-CA 3.26Å; V322-H381 VanDerWaalsContact O-CB 3.27Å; V322-H381 WeakPolarHBondContact O-CB 3.4Å; T323-H381 HydrophobicContact CG2-CB 4.23Å; F348-H381 AromaticContact CD1-CE1 3.83Å; F348-H381 AromaticContact CD1-NE2 3.4Å; F348-H381 WeakPolarHBondContact CD1-NE2 3.33Å; F348-H381 AromaticContact CD2-NE2 3.71Å; F348-H381 AromaticContact CE1-CE1 3.78Å; F348-H381 AromaticContact CE1-NE2 3.62Å; F348-H381 AromaticContact CE2-NE2 3.85Å; F348-H381 AromaticContact CG-NE2 3.46Å; F348-H381 WeakPolarHBondContact CG-NE2 2.96Å; F348-H381 AromaticContact CZ-NE2 3.83Å; A364-H381 PolarHBondContact O-CE1 3.22Å; H381-T383 PolarHBondContact CD2-OG1 3.07Å; H381-F385 AromaticContact NE2-CE1 3.8Å; H381-F385 WeakPolarHBondContact O-CZ 3.35Å |
| 382 | L | 90.2 | Very high | 88.5 | Confident | 21 Ų | 21 | 33.5 Ų | 33.5 | 11% | 0.11 | 19% | 0.19 | C | C | . | . | trans | -122.8 | 129 | 176.7 | -67.4 | -178.3 | 0 | 0 | 0 | 111.5 | L269 V273 I315 V317 V322 V329 | L269-L382 HydrophobicContact CD2-CD2 4.17Å; V273-L382 HydrophobicContact CG1-CD1 3.57Å; V273-L382 HydrophobicContact CG2-CD1 4.44Å; I315-L382 HydrophobicContact CB-CD2 4.19Å; I315-L382 HydrophobicContact CG2-CD1 4.42Å; I315-L382 HydrophobicContact CG2-CD2 3.81Å; V317-L382 HydrophobicContact CG2-CD1 3.81Å; V322-L382 HydrophobicContact CB-CB 4.4Å; V322-L382 HydrophobicContact CB-CD1 4.04Å; V322-L382 HydrophobicContact CB-CG 4.11Å; V322-L382 HydrophobicContact CG1-CG 4.47Å; V322-L382 HydrophobicContact CG2-CD1 3.99Å; V322-L382 PolarHBondContact O-N 3.01Å; V329-L382 HydrophobicContact CB-CD2 4.41Å; V329-L382 HydrophobicContact CG1-CD2 4.28Å; V329-L382 HydrophobicContact CG2-CD2 3.64Å | ||
| 383 | T | 90.7 | Very high | 86.9 | Confident | 37 Ų | 37 | 30.3 Ų | 30.3 | 23% | 0.227 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -161.1 | -156.3 | -177.1 | 45.1 | 0 | 0 | 0 | 0 | 110.3 | I315 F348 H381 F385 | I315-T383 PolarHBondContact N-O 3Å; F348-T383 WeakPolarHBondContact CB-OG1 3.34Å; F348-T383 HydrophobicContact CD2-CG2 4.05Å; H381-T383 PolarHBondContact CD2-OG1 3.07Å; T383-F385 WeakPolarHBondContact OG1-CE1 3.27Å; T383-F385 VanDerWaalsContact OG1-CZ 3.31Å; T383-F385 WeakPolarHBondContact OG1-CZ 3.39Å |
| 384 | Y | 93.3 | Very high | 84.7 | Confident | 28 Ų | 28 | 33.1 Ų | 33.1 | 11% | 0.11 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 114 | 166 | -65.5 | -95.1 | 0 | 0 | 0 | 110.1 | F293 F299 L313 F348 W349 | F293-Y384 HydrophobicContact CE2-CD1 4.49Å; F293-Y384 HydrophobicContact CE2-CE1 4.12Å; F299-Y384 HydrophobicContact CE1-CD1 4.11Å; F299-Y384 HydrophobicContact CE1-CG 4.12Å; F299-Y384 AromaticContact CZ-CD1 3.77Å; F299-Y384 HydrophobicContact CZ-CD1 3.77Å; F299-Y384 HydrophobicContact CZ-CE1 4.26Å; F299-Y384 HydrophobicContact CZ-CG 4.26Å; L313-Y384 WeakPolarHBondContact O-CA 3.23Å; F348-Y384 CarbonylContact C-O 3.55Å; F348-Y384 WeakPolarHBondContact CA-O 3.45Å; F348-Y384 WeakPolarHBondContact CB-O 3.24Å; W349-Y384 PolarHBondContact N-O 2.81Å |
| 385 | F | 95 | Very high | 82.5 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.009 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 152.3 | -176.5 | -61.4 | -74.6 | 0 | 0 | 0 | 112.2 | V312 L313 I315 L331 V347 F348 C379 H381 T383 | V312-F385 CarbonylContact C-O 3.47Å; V312-F385 WeakPolarHBondContact CA-O 3.28Å; L313-F385 PolarHBondContact N-O 3.06Å; L313-F385 PolarHBondContact O-N 3.14Å; I315-F385 HydrophobicContact CD1-CD2 4.17Å; I315-F385 HydrophobicContact CD1-CE2 4.28Å; L331-F385 HydrophobicContact CD1-CD2 4.24Å; L331-F385 HydrophobicContact CD1-CG 4.26Å; L331-F385 HydrophobicContact CD2-CB 3.69Å; L331-F385 HydrophobicContact CD2-CD2 3.73Å; L331-F385 HydrophobicContact CD2-CG 3.87Å; V347-F385 WeakPolarHBondContact O-CA 3.22Å; F348-F385 HydrophobicContact CB-CD1 3.7Å; F348-F385 HydrophobicContact CB-CE1 3.83Å; C379-F385 HydrophobicContact CB-CD1 4.48Å; C379-F385 HydrophobicContact CB-CE1 3.7Å; C379-F385 HydrophobicContact CB-CZ 3.99Å; C379-F385 WeakPolarHBondContact SG-CE1 3.43Å; H381-F385 AromaticContact NE2-CE1 3.8Å; H381-F385 WeakPolarHBondContact O-CZ 3.35Å; T383-F385 WeakPolarHBondContact OG1-CE1 3.27Å; T383-F385 VanDerWaalsContact OG1-CZ 3.31Å; T383-F385 WeakPolarHBondContact OG1-CZ 3.39Å |
| 386 | A | 94.3 | Very high | 80.8 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 160.4 | 176 | 0 | 0 | 0 | 0 | 0 | 110.2 | V307 V312 V347 W361 | V307-A386 HydrophobicContact CG1-CB 3.7Å; V307-A386 HydrophobicContact CG2-CB 4.03Å; V312-A386 HydrophobicContact CG2-CB 4.36Å; V347-A386 HydrophobicContact CG2-CB 4.11Å; V347-A386 WeakPolarHBondContact CG2-O 3.44Å; V347-A386 PolarHBondContact N-O 3.2Å; V347-A386 PolarHBondContact O-N 3.29Å; V347-A386 VanDerWaalsContact O-O 3.09Å; W361-A386 HydrophobicContact CE3-CB 4.29Å; W361-A386 HydrophobicContact CH2-CB 3.72Å; W361-A386 HydrophobicContact CZ2-CB 4.44Å; W361-A386 HydrophobicContact CZ3-CB 3.63Å |
| 387 | V | 93.9 | Very high | 79 | Confident | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.024 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 109.1 | 167.9 | -179.6 | 0 | 0 | 0 | 0 | 107.9 | V307 L308 F333 L344 Q345 T375 | V307-V387 WeakPolarHBondContact CA-O 3.06Å; L308-V387 HydrophobicContact CB-CB 4.06Å; L308-V387 HydrophobicContact CB-CG1 4.21Å; L308-V387 WeakPolarHBondContact CB-O 3.07Å; L308-V387 HydrophobicContact CD2-CB 4.2Å; L308-V387 HydrophobicContact CD2-CG1 3.99Å; L308-V387 PolarHBondContact N-O 3.27Å; F333-V387 HydrophobicContact CD2-CG2 3.42Å; F333-V387 VanDerWaalsContact CD2-CG2 3.42Å; F333-V387 HydrophobicContact CE2-CG2 3.68Å; F333-V387 HydrophobicContact CG-CG2 4.17Å; L344-V387 HydrophobicContact CB-CG1 3.77Å; L344-V387 HydrophobicContact CD2-CG1 4.06Å; L344-V387 HydrophobicContact CG-CG1 4.32Å; Q345-V387 CarbonylContact O-C 3.55Å; T375-V387 HydrophobicContact CG2-CG1 4.13Å; T375-V387 HydrophobicContact CG2-CG2 4.26Å |
| 388 | L | 91.2 | Very high | 77.4 | Confident | 19 Ų | 19 | 41.9 Ų | 41.9 | 10% | 0.099 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 132.9 | 179.2 | -163.6 | 70.8 | 0 | 0 | 0 | 110.6 | Q306 V307 Q345 V347 W361 V390 | Q306-L388 VanDerWaalsContact O-CD1 3.27Å; Q306-L388 WeakPolarHBondContact O-CD1 3.28Å; V307-L388 HydrophobicContact CG2-CD1 4.23Å; Q345-L388 PolarHBondContact N-O 3.33Å; Q345-L388 PolarHBondContact O-N 2.83Å; V347-L388 HydrophobicContact CG1-CB 4.08Å; V347-L388 HydrophobicContact CG1-CD2 4.44Å; V347-L388 HydrophobicContact CG2-CB 3.83Å; W361-L388 HydrophobicContact CG-CD1 4.4Å; L388-V390 HydrophobicContact CB-CG2 4.47Å; L388-V390 HydrophobicContact CD2-CG2 3.95Å; L388-V390 HydrophobicContact CG-CG2 4.24Å; L388-V390 PolarHBondContact O-N 3.29Å |
| 389 | M | 86.3 | Confident | 76.2 | Confident | 32 Ų | 32 | 41.9 Ų | 41.9 | 16% | 0.158 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 97.5 | 170.6 | -66.6 | -169.7 | -67.1 | 0 | 0 | 108.6 | Q306 L308 V342 L344 | Q306-M389 HydrophobicContact CB-CE 3.73Å; Q306-M389 PolarHBondContact O-N 2.89Å; L308-M389 HydrophobicContact CB-CG 4.12Å; L308-M389 HydrophobicContact CB-SD 4.5Å; L308-M389 HydrophobicContact CD1-CG 4.22Å; L308-M389 HydrophobicContact CD1-SD 3.87Å; V342-M389 HydrophobicContact CG1-CB 3.71Å; V342-M389 HydrophobicContact CG1-CG 4.03Å; L344-M389 HydrophobicContact CD2-CG 3.83Å |
| 390 | V | 78.4 | Confident | 74.9 | Confident | 49 Ų | 49 | 45.5 Ų | 45.5 | 30% | 0.297 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 111.9 | 175.7 | -177 | 0 | 0 | 0 | 0 | 107 | T343 Q345 L388 S392 | T343-V390 PolarHBondContact N-O 3.31Å; T343-V390 PolarHBondContact O-N 3.26Å; T343-V390 VanDerWaalsContact O-O 3.13Å; T343-V390 PolarHBondContact OG1-O 3.13Å; Q345-V390 HydrophobicContact CB-CG2 4.03Å; L388-V390 HydrophobicContact CB-CG2 4.47Å; L388-V390 HydrophobicContact CD2-CG2 3.95Å; L388-V390 HydrophobicContact CG-CG2 4.24Å; L388-V390 PolarHBondContact O-N 3.29Å; V390-S392 PolarHBondContact O-N 2.82Å |
| 391 | S | 63.3 | Low | 73.8 | Confident | 83 Ų | 83 | 47.7 Ų | 47.7 | 58% | 0.58 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 109.8 | 172.8 | 42.3 | 0 | 0 | 0 | 0 | 108.9 | N341 T393 | N341-S391 CarbonylContact O-C 3.48Å; N341-S391 WeakPolarHBondContact O-CA 2.96Å; S391-T393 PolarHBondContact O-N 2.93Å |
| 392 | S | 52.3 | Low | 73.1 | Confident | 18 Ų | 18 | 53 Ų | 53 | 13% | 0.126 | 28% | 0.276 | C | S | . | . | trans | -69.3 | 104.3 | 173.3 | 47.9 | 0 | 0 | 0 | 0 | 106.6 | K340 N341 V342 V390 E394 | K340-S392 PolarHBondContact O-OG 3.42Å; N341-S392 WeakPolarHBondContact CA-OG 3.46Å; N341-S392 PolarHBondContact O-N 3.36Å; N341-S392 PolarHBondContact O-OG 3.39Å; N341-S392 VanDerWaalsContact O-OG 3.12Å; V342-S392 PolarHBondContact N-OG 2.94Å; V390-S392 PolarHBondContact O-N 2.82Å; S392-E394 PolarHBondContact O-N 2.99Å | ||
| 393 | T | 51.3 | Low | 72.7 | Confident | 71 Ų | 71 | 53.4 Ų | 53.4 | 44% | 0.436 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 29.5 | 174.3 | 48.8 | 0 | 0 | 0 | 0 | 112.2 | S391 V395 E396 A397 | S391-T393 PolarHBondContact O-N 2.93Å; T393-V395 VanDerWaalsContact C-N 3.29Å; T393-V395 PolarHBondContact O-N 2.87Å; T393-E396 HydrophobicContact CG2-CB 4.48Å; T393-E396 PolarHBondContact O-N 3.2Å; T393-A397 WeakPolarHBondContact O-CB 3.39Å; T393-A397 PolarHBondContact O-N 3.4Å |
| 394 | E | 43.4 | Very low | 72.2 | Confident | 144 Ų | 144 | 54 Ų | 54 | 67% | 0.673 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -66.4 | -34.6 | 176.5 | -71.6 | -164.7 | 153.8 | 0 | 0 | 111.4 | S392 T398 | S392-E394 PolarHBondContact O-N 2.99Å; E394-T398 VanDerWaalsContact O-CB 3.3Å; E394-T398 WeakPolarHBondContact O-CB 3.4Å; E394-T398 PolarHBondContact O-N 3.45Å; E394-T398 PolarHBondContact O-OG1 2.92Å |
| 395 | V | 48.1 | Very low | 71.8 | Confident | 89 Ų | 89 | 57 Ų | 57 | 54% | 0.539 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -69.3 | -44.2 | 172.7 | 180 | 0 | 0 | 0 | 0 | 110.1 | T393 H399 | T393-V395 VanDerWaalsContact C-N 3.29Å; T393-V395 PolarHBondContact O-N 2.87Å; V395-H399 PolarHBondContact O-CD2 3.48Å; V395-H399 PolarHBondContact O-N 2.81Å |
| 396 | E | 57.6 | Low | 71.4 | Confident | 100 Ų | 100 | 59.3 Ų | 59.3 | 47% | 0.467 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -72.1 | -39.1 | -177.8 | -145.8 | -166.8 | 160 | 0 | 0 | 112.7 | T393 K400 | T393-E396 HydrophobicContact CG2-CB 4.48Å; T393-E396 PolarHBondContact O-N 3.2Å; E396-K400 VanDerWaalsContact CD-CE 3.49Å; E396-K400 HydrophobicContact CG-CD 4.36Å; E396-K400 WeakPolarHBondContact O-CB 3.32Å; E396-K400 WeakPolarHBondContact O-CD 3.27Å; E396-K400 WeakPolarHBondContact O-CG 2.98Å; E396-K400 PolarHBondContact O-N 2.98Å; E396-K400 WeakPolarHBondContact OE1-CE 3Å; E396-K400 IonicContact OE1-NZ 2.82Å; E396-K400 PolarHBondContact OE1-NZ 3.45Å; E396-K400 IonicContact OE2-NZ 2.73Å; E396-K400 PolarHBondContact OE2-NZ 2.95Å |
| 397 | A | 55.5 | Low | 71 | Confident | 11 Ų | 11 | 60.3 Ų | 60.3 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.8 | -41.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T393 K400 H401 V543 | T393-A397 WeakPolarHBondContact O-CB 3.39Å; T393-A397 PolarHBondContact O-N 3.4Å; A397-K400 PolarHBondContact O-N 2.91Å; A397-H401 PolarHBondContact O-N 3.49Å; A397-V543 HydrophobicContact CB-CB 4.35Å; A397-V543 HydrophobicContact CB-CG1 4.18Å; A397-V543 HydrophobicContact CB-CG2 4.01Å; A397-V543 WeakPolarHBondContact O-CG1 3.43Å |
| 398 | T | 63.1 | Low | 70.8 | Confident | 58 Ų | 58 | 64.7 Ų | 64.7 | 36% | 0.356 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64 | -46.9 | 176.3 | -58.1 | 0 | 0 | 0 | 0 | 110.6 | E394 H401 Y402 | E394-T398 VanDerWaalsContact O-CB 3.3Å; E394-T398 WeakPolarHBondContact O-CB 3.4Å; E394-T398 PolarHBondContact O-N 3.45Å; E394-T398 PolarHBondContact O-OG1 2.92Å; T398-H401 WeakPolarHBondContact O-CB 3.44Å; T398-H401 PolarHBondContact O-N 3.47Å; T398-Y402 HydrophobicContact CG2-CD2 3.88Å; T398-Y402 HydrophobicContact CG2-CE2 3.45Å; T398-Y402 VanDerWaalsContact CG2-CE2 3.45Å; T398-Y402 WeakPolarHBondContact O-CD2 3.33Å; T398-Y402 PolarHBondContact O-N 2.92Å; T398-Y402 VanDerWaalsContact O-N 3.13Å |
| 399 | H | 70.4 | Confident | 70.8 | Confident | 50 Ų | 50 | 67.2 Ų | 67.2 | 23% | 0.231 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.9 | -35.8 | 176.3 | -67 | -54.9 | 0 | 0 | 0 | 112.8 | V395 H401 Y402 L403 L631 Y635 | V395-H399 PolarHBondContact O-CD2 3.48Å; V395-H399 PolarHBondContact O-N 2.81Å; H399-H401 VanDerWaalsContact C-N 3.33Å; H399-H401 PolarHBondContact O-N 3.49Å; H399-Y402 PolarHBondContact O-N 3.32Å; H399-L403 VanDerWaalsContact O-CB 3.32Å; H399-L403 WeakPolarHBondContact O-CB 3.46Å; H399-L403 WeakPolarHBondContact O-CD1 3.23Å; H399-L403 WeakPolarHBondContact O-CG 3.33Å; H399-L403 PolarHBondContact O-N 3.44Å; H399-L631 HydrophobicContact CB-CD1 3.77Å; H399-L631 WeakPolarHBondContact NE2-CD2 3.08Å; H399-Y635 HydrophobicContact CB-CE2 4.36Å; H399-Y635 AromaticContact ND1-CE2 3.88Å; H399-Y635 AromaticContact ND1-CZ 3.9Å; H399-Y635 PolarHBondContact ND1-OH 3.45Å |
| 400 | K | 67.7 | Low | 71 | Confident | 75 Ų | 75 | 65.7 Ų | 65.7 | 33% | 0.326 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.5 | -45.6 | 171 | -80.3 | 167.6 | -179.1 | 166.1 | 0 | 110.8 | E396 A397 Y402 L403 T404 V543 | E396-K400 VanDerWaalsContact CD-CE 3.49Å; E396-K400 HydrophobicContact CG-CD 4.36Å; E396-K400 WeakPolarHBondContact O-CB 3.32Å; E396-K400 WeakPolarHBondContact O-CD 3.27Å; E396-K400 WeakPolarHBondContact O-CG 2.98Å; E396-K400 PolarHBondContact O-N 2.98Å; E396-K400 WeakPolarHBondContact OE1-CE 3Å; E396-K400 IonicContact OE1-NZ 2.82Å; E396-K400 PolarHBondContact OE1-NZ 3.45Å; E396-K400 IonicContact OE2-NZ 2.73Å; E396-K400 PolarHBondContact OE2-NZ 2.95Å; A397-K400 PolarHBondContact O-N 2.91Å; K400-Y402 PolarHBondContact O-N 3.4Å; K400-L403 PolarHBondContact O-N 3.48Å; K400-T404 WeakPolarHBondContact O-CB 3.4Å; K400-T404 PolarHBondContact O-N 3.3Å; K400-T404 PolarHBondContact O-OG1 2.87Å; K400-V543 HydrophobicContact CB-CG2 4.43Å |
| 401 | H | 70.6 | Confident | 71.6 | Confident | 96 Ų | 96 | 63.8 Ų | 63.8 | 44% | 0.444 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.5 | -48.5 | 176.9 | -172.7 | 61.4 | 0 | 0 | 0 | 112.7 | A397 T398 H399 T404 L405 V543 | A397-H401 PolarHBondContact O-N 3.49Å; T398-H401 WeakPolarHBondContact O-CB 3.44Å; T398-H401 PolarHBondContact O-N 3.47Å; H399-H401 VanDerWaalsContact C-N 3.33Å; H399-H401 PolarHBondContact O-N 3.49Å; H401-T404 PolarHBondContact O-N 3.37Å; H401-L405 WeakPolarHBondContact O-CB 3.4Å; H401-L405 PolarHBondContact O-N 3.1Å; H401-V543 HydrophobicContact CB-CG1 4.08Å |
| 402 | Y | 79.2 | Confident | 73 | Confident | 127 Ų | 127 | 62.5 Ų | 62.5 | 50% | 0.498 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 178.2 | -72.3 | -61.7 | 0 | 0 | 0 | 112.4 | T398 H399 K400 L405 L406 | T398-Y402 HydrophobicContact CG2-CD2 3.88Å; T398-Y402 HydrophobicContact CG2-CE2 3.45Å; T398-Y402 VanDerWaalsContact CG2-CE2 3.45Å; T398-Y402 WeakPolarHBondContact O-CD2 3.33Å; T398-Y402 PolarHBondContact O-N 2.92Å; T398-Y402 VanDerWaalsContact O-N 3.13Å; H399-Y402 PolarHBondContact O-N 3.32Å; K400-Y402 PolarHBondContact O-N 3.4Å; Y402-L405 PolarHBondContact O-N 2.86Å; Y402-L406 VanDerWaalsContact O-CB 3.23Å; Y402-L406 WeakPolarHBondContact O-CB 3.45Å; Y402-L406 PolarHBondContact O-N 3.42Å |
| 403 | L | 81.4 | Confident | 75 | Confident | 28 Ų | 28 | 64.7 Ų | 64.7 | 15% | 0.147 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.9 | -39.7 | 175.2 | -72.6 | 165.8 | 0 | 0 | 0 | 111.7 | H399 K400 L406 S407 L634 Y635 | H399-L403 VanDerWaalsContact O-CB 3.32Å; H399-L403 WeakPolarHBondContact O-CB 3.46Å; H399-L403 WeakPolarHBondContact O-CD1 3.23Å; H399-L403 WeakPolarHBondContact O-CG 3.33Å; H399-L403 PolarHBondContact O-N 3.44Å; K400-L403 PolarHBondContact O-N 3.48Å; L403-L406 PolarHBondContact O-N 3.02Å; L403-S407 VanDerWaalsContact O-CB 3.3Å; L403-S407 WeakPolarHBondContact O-CB 3.17Å; L403-S407 PolarHBondContact O-N 3.33Å; L403-S407 PolarHBondContact O-OG 2.88Å; L403-L634 HydrophobicContact CD1-CB 4.45Å; L403-Y635 HydrophobicContact CD2-CD1 3.73Å; L403-Y635 HydrophobicContact CD2-CD2 4.12Å; L403-Y635 HydrophobicContact CD2-CE1 3.94Å; L403-Y635 HydrophobicContact CD2-CE2 4.28Å; L403-Y635 HydrophobicContact CD2-CG 3.82Å; L403-Y635 HydrophobicContact CG-CD1 4.48Å; L403-Y635 HydrophobicContact CG-CE1 4.21Å; L403-Y635 HydrophobicContact CG-CE2 4.31Å |
| 404 | T | 80.2 | Confident | 77 | Confident | 49 Ų | 49 | 61.3 Ų | 61.3 | 30% | 0.301 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.3 | -46.8 | 174.7 | -62.5 | 0 | 0 | 0 | 0 | 110.8 | K400 H401 L406 S407 Y408 | K400-T404 WeakPolarHBondContact O-CB 3.4Å; K400-T404 PolarHBondContact O-N 3.3Å; K400-T404 PolarHBondContact O-OG1 2.87Å; H401-T404 PolarHBondContact O-N 3.37Å; T404-L406 VanDerWaalsContact C-N 3.35Å; T404-L406 PolarHBondContact O-N 2.91Å; T404-S407 PolarHBondContact O-N 3.2Å; T404-Y408 WeakPolarHBondContact O-CB 3.31Å; T404-Y408 PolarHBondContact O-N 3.5Å |
| 405 | L | 83.9 | Confident | 79.4 | Confident | 93 Ų | 93 | 55 Ų | 55 | 49% | 0.487 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.9 | -46.2 | 177.1 | -177.3 | 69 | 0 | 0 | 0 | 111.4 | H401 Y402 S407 Y408 V409 | H401-L405 WeakPolarHBondContact O-CB 3.4Å; H401-L405 PolarHBondContact O-N 3.1Å; Y402-L405 PolarHBondContact O-N 2.86Å; L405-S407 VanDerWaalsContact C-N 3.35Å; L405-S407 PolarHBondContact O-N 3.4Å; L405-Y408 PolarHBondContact O-N 3.12Å; L405-V409 WeakPolarHBondContact O-CG2 3.27Å; L405-V409 PolarHBondContact O-N 3.09Å |
| 406 | L | 87.3 | Confident | 81.6 | Confident | 50 Ų | 50 | 56.4 Ų | 56.4 | 26% | 0.262 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61 | -44.4 | 177.2 | -178.1 | 60.3 | 0 | 0 | 0 | 111.6 | Y402 L403 T404 G410 Y635 I639 | Y402-L406 VanDerWaalsContact O-CB 3.23Å; Y402-L406 WeakPolarHBondContact O-CB 3.45Å; Y402-L406 PolarHBondContact O-N 3.42Å; L403-L406 PolarHBondContact O-N 3.02Å; T404-L406 VanDerWaalsContact C-N 3.35Å; T404-L406 PolarHBondContact O-N 2.91Å; L406-G410 PolarHBondContact O-N 3.12Å; L406-Y635 HydrophobicContact CD2-CD1 4.28Å; L406-I639 HydrophobicContact CD1-CG1 4.4Å; L406-I639 HydrophobicContact CD2-CD1 4.25Å; L406-I639 HydrophobicContact CD2-CG1 3.55Å; L406-I639 HydrophobicContact CG-CG1 4.28Å |
| 407 | S | 87 | Confident | 83.2 | Confident | 20 Ų | 20 | 52 Ų | 52 | 14% | 0.14 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 178 | -56.4 | 0 | 0 | 0 | 0 | 111.7 | L403 T404 L405 G410 C411 S638 S642 | L403-S407 VanDerWaalsContact O-CB 3.3Å; L403-S407 WeakPolarHBondContact O-CB 3.17Å; L403-S407 PolarHBondContact O-N 3.33Å; L403-S407 PolarHBondContact O-OG 2.88Å; T404-S407 PolarHBondContact O-N 3.2Å; L405-S407 VanDerWaalsContact C-N 3.35Å; L405-S407 PolarHBondContact O-N 3.4Å; S407-G410 PolarHBondContact O-N 3.4Å; S407-C411 VanDerWaalsContact O-CB 3.29Å; S407-C411 WeakPolarHBondContact O-CB 3.21Å; S407-C411 PolarHBondContact O-N 3.45Å; S407-C411 PolarHBondContact O-SG 3.47Å; S407-S638 PolarHBondContact OG-OG 2.83Å; S407-S642 VanDerWaalsContact CA-OG 3.29Å; S407-S642 WeakPolarHBondContact CA-OG 3.41Å |
| 408 | Y | 88.3 | Confident | 85 | Confident | 97 Ų | 97 | 51.5 Ų | 51.5 | 38% | 0.38 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.6 | -50.5 | 177.8 | -166 | -83.7 | 0 | 0 | 0 | 111.3 | T404 L405 G410 C411 V412 L455 | T404-Y408 WeakPolarHBondContact O-CB 3.31Å; T404-Y408 PolarHBondContact O-N 3.5Å; L405-Y408 PolarHBondContact O-N 3.12Å; Y408-G410 PolarHBondContact O-N 3.05Å; Y408-C411 PolarHBondContact O-N 2.92Å; Y408-V412 HydrophobicContact CD1-CG2 4.29Å; Y408-V412 HydrophobicContact CE1-CG2 4.13Å; Y408-V412 WeakPolarHBondContact O-CG2 3.41Å; Y408-V412 PolarHBondContact O-N 3.32Å; Y408-L455 HydrophobicContact CD1-CD2 4.14Å; Y408-L455 HydrophobicContact CD2-CD2 3.62Å; Y408-L455 HydrophobicContact CE1-CD2 4.06Å; Y408-L455 HydrophobicContact CE2-CD2 3.53Å; Y408-L455 HydrophobicContact CG-CD2 3.92Å |
| 409 | V | 91 | Very high | 86.4 | Confident | 72 Ų | 72 | 52.2 Ų | 52.2 | 44% | 0.436 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 178 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | L405 V412 I413 | L405-V409 WeakPolarHBondContact O-CG2 3.27Å; L405-V409 PolarHBondContact O-N 3.09Å; V409-V412 PolarHBondContact O-N 3.48Å; V409-I413 HydrophobicContact CG1-CD1 4.02Å; V409-I413 WeakPolarHBondContact O-CG1 3.22Å; V409-I413 PolarHBondContact O-N 3.41Å |
| 410 | G | 90.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.3 | -47.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L406 S407 Y408 V412 I413 S414 S642 | L406-G410 PolarHBondContact O-N 3.12Å; S407-G410 PolarHBondContact O-N 3.4Å; Y408-G410 PolarHBondContact O-N 3.05Å; G410-V412 VanDerWaalsContact C-N 3.33Å; G410-V412 PolarHBondContact O-N 3.49Å; G410-I413 PolarHBondContact O-N 2.87Å; G410-S414 WeakPolarHBondContact O-CB 3.23Å; G410-S414 PolarHBondContact O-N 2.96Å; G410-S642 CarbonylContact C-O 3.56Å; G410-S642 VanDerWaalsContact O-O 3.04Å |
| 411 | C | 92.1 | Very high | 88.4 | Confident | 9 Ų | 9 | 51.7 Ų | 51.7 | 6% | 0.061 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.5 | -36.9 | 177.7 | -75.9 | 0 | 0 | 0 | 0 | 112.7 | S407 Y408 S414 A415 D451 F454 L455 | S407-C411 VanDerWaalsContact O-CB 3.29Å; S407-C411 WeakPolarHBondContact O-CB 3.21Å; S407-C411 PolarHBondContact O-N 3.45Å; S407-C411 PolarHBondContact O-SG 3.47Å; Y408-C411 PolarHBondContact O-N 2.92Å; C411-S414 PolarHBondContact O-N 3.2Å; C411-A415 WeakPolarHBondContact O-CB 3.3Å; C411-A415 PolarHBondContact O-N 2.97Å; C411-D451 HydrophobicContact CB-CB 4.25Å; C411-D451 PolarHBondContact SG-OD1 3.46Å; C411-F454 HydrophobicContact CB-CD1 4.29Å; C411-L455 HydrophobicContact CB-CD1 4.49Å; C411-L455 HydrophobicContact CB-CD2 4.18Å; C411-L455 HydrophobicContact CB-CG 4.23Å |
| 412 | V | 92.8 | Very high | 89.3 | Confident | 55 Ų | 55 | 48.8 Ų | 48.8 | 33% | 0.333 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63 | -47.3 | 174.2 | 171.6 | 0 | 0 | 0 | 0 | 111 | Y408 V409 G410 A415 L416 L455 | Y408-V412 HydrophobicContact CD1-CG2 4.29Å; Y408-V412 HydrophobicContact CE1-CG2 4.13Å; Y408-V412 WeakPolarHBondContact O-CG2 3.41Å; Y408-V412 PolarHBondContact O-N 3.32Å; V409-V412 PolarHBondContact O-N 3.48Å; G410-V412 VanDerWaalsContact C-N 3.33Å; G410-V412 PolarHBondContact O-N 3.49Å; V412-A415 PolarHBondContact O-N 2.83Å; V412-L416 HydrophobicContact CG1-CD1 4.17Å; V412-L416 WeakPolarHBondContact O-CG 3.18Å; V412-L416 PolarHBondContact O-N 3.4Å; V412-L455 HydrophobicContact CG2-CD1 3.98Å; V412-L455 HydrophobicContact CG2-CD2 3.83Å |
| 413 | I | 93.2 | Very high | 89.8 | Confident | 64 Ų | 64 | 44.8 Ų | 44.8 | 33% | 0.328 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.7 | -45.5 | 178.5 | -65.5 | 168 | 0 | 0 | 0 | 110.4 | V409 G410 L416 A417 F643 F646 | V409-I413 HydrophobicContact CG1-CD1 4.02Å; V409-I413 WeakPolarHBondContact O-CG1 3.22Å; V409-I413 PolarHBondContact O-N 3.41Å; G410-I413 PolarHBondContact O-N 2.87Å; I413-L416 PolarHBondContact O-N 3.47Å; I413-A417 WeakPolarHBondContact O-CB 3.39Å; I413-A417 PolarHBondContact O-N 2.98Å; I413-F643 HydrophobicContact CB-CE1 4.4Å; I413-F643 HydrophobicContact CD1-CE1 3.76Å; I413-F643 HydrophobicContact CD1-CZ 4.02Å; I413-F643 HydrophobicContact CG2-CD1 4.49Å; I413-F643 HydrophobicContact CG2-CE1 4.22Å; I413-F646 HydrophobicContact CG2-CB 4.39Å; I413-F646 HydrophobicContact CG2-CD2 4.03Å; I413-F646 HydrophobicContact CG2-CG 4.27Å |
| 414 | S | 93.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.5 | -49.3 | 176.8 | 176.7 | 0 | 0 | 0 | 0 | 111.5 | G410 C411 L416 A417 C418 D451 S642 G645 | G410-S414 WeakPolarHBondContact O-CB 3.23Å; G410-S414 PolarHBondContact O-N 2.96Å; C411-S414 PolarHBondContact O-N 3.2Å; S414-L416 PolarHBondContact O-N 3.24Å; S414-A417 PolarHBondContact O-N 3.4Å; S414-C418 PolarHBondContact O-N 3.42Å; S414-C418 PolarHBondContact O-SG 2.86Å; S414-D451 WeakPolarHBondContact CB-OD2 3.34Å; S414-D451 PolarHBondContact OG-OD2 3.3Å; S414-S642 WeakPolarHBondContact CB-O 3.46Å; S414-G645 VanDerWaalsContact OG-CA 3.26Å; S414-G645 WeakPolarHBondContact OG-CA 3.33Å; S414-G645 PolarHBondContact OG-N 3.29Å |
| 415 | A | 93.1 | Very high | 90.3 | Very high | 11 Ų | 11 | 45 Ų | 45 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.3 | -43.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | C411 V412 C418 V419 F448 D451 | C411-A415 WeakPolarHBondContact O-CB 3.3Å; C411-A415 PolarHBondContact O-N 2.97Å; V412-A415 PolarHBondContact O-N 2.83Å; A415-C418 WeakPolarHBondContact O-CB 3.37Å; A415-C418 PolarHBondContact O-N 3.48Å; A415-V419 WeakPolarHBondContact O-CG2 3.46Å; A415-V419 PolarHBondContact O-N 3.34Å; A415-F448 HydrophobicContact CB-CD2 4.28Å; A415-F448 HydrophobicContact CB-CE2 4.48Å; A415-D451 HydrophobicContact CB-CB 4.04Å; A415-D451 PolarHBondContact N-OD2 3.47Å |
| 416 | L | 94.1 | Very high | 90.5 | Very high | 119 Ų | 119 | 46.8 Ų | 46.8 | 62% | 0.623 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -62.9 | -42.7 | 176.2 | -70.2 | 173.8 | 0 | 0 | 0 | 111.9 | V412 I413 S414 C418 V419 F420 | V412-L416 HydrophobicContact CG1-CD1 4.17Å; V412-L416 WeakPolarHBondContact O-CG 3.18Å; V412-L416 PolarHBondContact O-N 3.4Å; I413-L416 PolarHBondContact O-N 3.47Å; S414-L416 PolarHBondContact O-N 3.24Å; L416-C418 VanDerWaalsContact C-N 3.34Å; L416-V419 PolarHBondContact O-N 2.96Å; L416-F420 WeakPolarHBondContact O-CB 3.28Å; L416-F420 PolarHBondContact O-N 3.36Å |
| 417 | A | 92.6 | Very high | 90.4 | Very high | 9 Ų | 9 | 49.4 Ų | 49.4 | 7% | 0.074 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.6 | -39.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I413 S414 F420 T421 F646 F649 | I413-A417 WeakPolarHBondContact O-CB 3.39Å; I413-A417 PolarHBondContact O-N 2.98Å; S414-A417 PolarHBondContact O-N 3.4Å; A417-F420 PolarHBondContact O-N 2.96Å; A417-T421 WeakPolarHBondContact O-CB 3.43Å; A417-T421 PolarHBondContact O-N 3.42Å; A417-T421 PolarHBondContact O-OG1 2.87Å; A417-F646 HydrophobicContact CB-CD2 4.19Å; A417-F649 HydrophobicContact CB-CB 3.93Å; A417-F649 HydrophobicContact CB-CD1 4.16Å; A417-F649 HydrophobicContact CB-CG 4.08Å |
| 418 | C | 92.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.1 | -51.4 | 174.2 | -65.1 | 0 | 0 | 0 | 0 | 111.1 | S414 A415 L416 F420 T421 I422 L444 F448 | S414-C418 PolarHBondContact O-N 3.42Å; S414-C418 PolarHBondContact O-SG 2.86Å; A415-C418 WeakPolarHBondContact O-CB 3.37Å; A415-C418 PolarHBondContact O-N 3.48Å; L416-C418 VanDerWaalsContact C-N 3.34Å; C418-F420 PolarHBondContact O-N 3.05Å; C418-T421 PolarHBondContact O-N 3.21Å; C418-I422 WeakPolarHBondContact O-CB 3.46Å; C418-I422 VanDerWaalsContact O-CG1 3.27Å; C418-I422 WeakPolarHBondContact O-CG1 3.45Å; C418-I422 PolarHBondContact O-N 3.42Å; C418-L444 HydrophobicContact CB-CD1 3.87Å; C418-L444 HydrophobicContact CB-CD2 4.46Å; C418-L444 HydrophobicContact CB-CG 3.9Å; C418-L444 WeakPolarHBondContact SG-CD1 3.19Å; C418-F448 HydrophobicContact CB-CB 3.95Å; C418-F448 HydrophobicContact CB-CD2 4.3Å |
| 419 | V | 92.7 | Very high | 89 | Confident | 73 Ų | 73 | 57.5 Ų | 57.5 | 44% | 0.442 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.4 | -47.6 | 179.4 | 170.6 | 0 | 0 | 0 | 0 | 111 | A415 L416 T421 I422 A423 F448 | A415-V419 WeakPolarHBondContact O-CG2 3.46Å; A415-V419 PolarHBondContact O-N 3.34Å; L416-V419 PolarHBondContact O-N 2.96Å; V419-T421 VanDerWaalsContact C-N 3.34Å; V419-T421 PolarHBondContact O-N 2.84Å; V419-I422 PolarHBondContact O-N 3.44Å; V419-A423 WeakPolarHBondContact O-CB 3.3Å; V419-A423 PolarHBondContact O-N 3.29Å; V419-F448 HydrophobicContact CG2-CD2 3.92Å; V419-F448 HydrophobicContact CG2-CE2 3.46Å; V419-F448 VanDerWaalsContact CG2-CE2 3.46Å; V419-F448 HydrophobicContact CG2-CZ 4.15Å |
| 420 | F | 91.5 | Very high | 87.8 | Confident | 111 Ų | 111 | 64.4 Ų | 64.4 | 49% | 0.487 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 179.2 | -179.9 | -98.7 | 0 | 0 | 0 | 112 | L416 A417 C418 A424 F649 W653 | L416-F420 WeakPolarHBondContact O-CB 3.28Å; L416-F420 PolarHBondContact O-N 3.36Å; A417-F420 PolarHBondContact O-N 2.96Å; C418-F420 PolarHBondContact O-N 3.05Å; F420-A424 VanDerWaalsContact O-CB 3.27Å; F420-A424 WeakPolarHBondContact O-CB 3.43Å; F420-A424 PolarHBondContact O-N 3.08Å; F420-F649 HydrophobicContact CD1-CD2 4.41Å; F420-F649 AromaticContact CD1-CE2 3.56Å; F420-F649 HydrophobicContact CD1-CE2 3.56Å; F420-F649 HydrophobicContact CD1-CZ 4.06Å; F420-F649 AromaticContact CE1-CE2 3.83Å; F420-F649 HydrophobicContact CE1-CE2 3.83Å; F420-F649 HydrophobicContact CE1-CZ 4.18Å; F420-W653 HydrophobicContact CE1-CZ3 4.5Å |
| 421 | T | 88.8 | Confident | 86.3 | Confident | 2 Ų | 2 | 73.7 Ų | 73.7 | 1% | 0.012 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -68.9 | -44.4 | -179.1 | -50.1 | 0 | 0 | 0 | 0 | 112.2 | A417 C418 V419 A424 Y425 M441 L444 F649 Y652 | A417-T421 WeakPolarHBondContact O-CB 3.43Å; A417-T421 PolarHBondContact O-N 3.42Å; A417-T421 PolarHBondContact O-OG1 2.87Å; C418-T421 PolarHBondContact O-N 3.21Å; V419-T421 VanDerWaalsContact C-N 3.34Å; V419-T421 PolarHBondContact O-N 2.84Å; T421-A424 PolarHBondContact O-N 3.42Å; T421-Y425 WeakPolarHBondContact O-CB 3.4Å; T421-Y425 PolarHBondContact O-N 3.42Å; T421-M441 HydrophobicContact CG2-CE 4.23Å; T421-L444 HydrophobicContact CG2-CD2 3.69Å; T421-F649 WeakPolarHBondContact OG1-CD2 3.28Å; T421-Y652 HydrophobicContact CG2-CD1 3.71Å; T421-Y652 HydrophobicContact CG2-CD2 4.37Å; T421-Y652 HydrophobicContact CG2-CE1 4.16Å; T421-Y652 HydrophobicContact CG2-CG 3.83Å |
| 422 | I | 88.9 | Confident | 84.7 | Confident | 36 Ų | 36 | 74.3 Ų | 74.3 | 19% | 0.185 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63 | -45.3 | 176.9 | -66.4 | 170.1 | 0 | 0 | 0 | 109.4 | C418 V419 Y425 L426 L444 | C418-I422 WeakPolarHBondContact O-CB 3.46Å; C418-I422 VanDerWaalsContact O-CG1 3.27Å; C418-I422 WeakPolarHBondContact O-CG1 3.45Å; C418-I422 PolarHBondContact O-N 3.42Å; V419-I422 PolarHBondContact O-N 3.44Å; I422-Y425 WeakPolarHBondContact O-CB 3.43Å; I422-Y425 PolarHBondContact O-N 3.1Å; I422-L426 HydrophobicContact CG2-CD1 3.91Å; I422-L426 HydrophobicContact CG2-CG 4.32Å; I422-L426 VanDerWaalsContact O-CG 3.31Å; I422-L426 WeakPolarHBondContact O-CG 3.43Å; I422-L426 PolarHBondContact O-N 2.85Å; I422-L444 HydrophobicContact CD1-CD2 4.18Å; I422-L444 HydrophobicContact CD1-CG 4.19Å; I422-L444 HydrophobicContact CG1-CD2 3.59Å; I422-L444 HydrophobicContact CG1-CG 4.15Å |
| 423 | A | 89.9 | Confident | 83.2 | Confident | 42 Ų | 42 | 82 Ų | 82 | 35% | 0.347 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61 | -45.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V419 Y425 L426 C427 | V419-A423 WeakPolarHBondContact O-CB 3.3Å; V419-A423 PolarHBondContact O-N 3.29Å; A423-Y425 VanDerWaalsContact C-N 3.29Å; A423-Y425 PolarHBondContact O-N 3.36Å; A423-L426 PolarHBondContact O-N 3.41Å; A423-C427 WeakPolarHBondContact O-CB 3.46Å; A423-C427 PolarHBondContact O-N 3.39Å; A423-C427 PolarHBondContact O-SG 2.99Å |
| 424 | A | 87.5 | Confident | 82.2 | Confident | 31 Ų | 31 | 83.4 Ų | 83.4 | 26% | 0.256 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.3 | -37.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F420 T421 S428 | F420-A424 VanDerWaalsContact O-CB 3.27Å; F420-A424 WeakPolarHBondContact O-CB 3.43Å; F420-A424 PolarHBondContact O-N 3.08Å; T421-A424 PolarHBondContact O-N 3.42Å; A424-S428 WeakPolarHBondContact O-CB 3.48Å; A424-S428 PolarHBondContact O-N 3.04Å; A424-S428 VanDerWaalsContact O-N 3.14Å |
| 425 | Y | 85.6 | Confident | 81.4 | Confident | 50 Ų | 50 | 88 Ų | 88 | 20% | 0.196 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -66 | -46.8 | 174 | 175.3 | -103.7 | 0 | 0 | 0 | 112.2 | T421 I422 A423 S428 I437 M441 | T421-Y425 WeakPolarHBondContact O-CB 3.4Å; T421-Y425 PolarHBondContact O-N 3.42Å; I422-Y425 WeakPolarHBondContact O-CB 3.43Å; I422-Y425 PolarHBondContact O-N 3.1Å; A423-Y425 VanDerWaalsContact C-N 3.29Å; A423-Y425 PolarHBondContact O-N 3.36Å; Y425-S428 WeakPolarHBondContact O-CB 3.45Å; Y425-S428 PolarHBondContact O-N 3.15Å; Y425-I437 HydrophobicContact CD2-CG2 3.74Å; Y425-I437 HydrophobicContact CE2-CG2 3.46Å; Y425-I437 VanDerWaalsContact CE2-CG2 3.46Å; Y425-M441 HydrophobicContact CD1-CG 3.67Å; Y425-M441 HydrophobicContact CD1-SD 3.95Å; Y425-M441 HydrophobicContact CD2-CG 4.14Å; Y425-M441 HydrophobicContact CD2-SD 4.26Å; Y425-M441 HydrophobicContact CE1-CG 3.87Å; Y425-M441 HydrophobicContact CE2-CG 4.33Å; Y425-M441 HydrophobicContact CG-CG 3.81Å; Y425-M441 HydrophobicContact CG-SD 3.68Å |
| 426 | L | 86.9 | Confident | 80.9 | Confident | 131 Ų | 131 | 88.6 Ų | 88.6 | 69% | 0.686 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -67.2 | -37.3 | 180 | -67.8 | 175.2 | 0 | 0 | 0 | 112.6 | I422 A423 S428 | I422-L426 HydrophobicContact CG2-CD1 3.91Å; I422-L426 HydrophobicContact CG2-CG 4.32Å; I422-L426 VanDerWaalsContact O-CG 3.31Å; I422-L426 WeakPolarHBondContact O-CG 3.43Å; I422-L426 PolarHBondContact O-N 2.85Å; A423-L426 PolarHBondContact O-N 3.41Å; L426-S428 VanDerWaalsContact C-N 3.32Å |
| 427 | C | 86.8 | Confident | 80.4 | Confident | 106 Ų | 106 | 84.6 Ų | 84.6 | 72% | 0.716 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -75 | -20.1 | 176.9 | -67.6 | 0 | 0 | 0 | 0 | 113.1 | A423 R429 | A423-C427 WeakPolarHBondContact O-CB 3.46Å; A423-C427 PolarHBondContact O-N 3.39Å; A423-C427 PolarHBondContact O-SG 2.99Å; C427-R429 PolarHBondContact O-N 2.88Å; C427-R429 VanDerWaalsContact O-N 3.11Å |
| 428 | S | 80.3 | Confident | 80.2 | Confident | 30 Ų | 30 | 87.2 Ų | 87.2 | 21% | 0.21 | 41% | 0.411 | C | S | . | . | trans | -69.4 | 107.8 | 178 | 173.2 | 0 | 0 | 0 | 0 | 110.4 | A424 Y425 L426 R430 R656 | A424-S428 WeakPolarHBondContact O-CB 3.48Å; A424-S428 PolarHBondContact O-N 3.04Å; A424-S428 VanDerWaalsContact O-N 3.14Å; Y425-S428 WeakPolarHBondContact O-CB 3.45Å; Y425-S428 PolarHBondContact O-N 3.15Å; L426-S428 VanDerWaalsContact C-N 3.32Å; S428-R430 PolarHBondContact O-N 2.98Å; S428-R656 PolarHBondContact OG-NH2 3.28Å; S428-R656 VanDerWaalsContact OG-NH2 3.09Å | ||
| 429 | R | 65.5 | Low | 80 | Confident | 257 Ų | 257 | 87.2 Ų | 87.2 | 97% | 0.97 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -56.9 | -18.7 | 176 | -67.3 | -173.3 | -179.3 | 178.3 | 0.7 | 114 | C427 K431 | C427-R429 PolarHBondContact O-N 2.88Å; C427-R429 VanDerWaalsContact O-N 3.11Å; R429-K431 PolarHBondContact O-N 3Å |
| 430 | R | 64.8 | Low | 79.8 | Confident | 217 Ų | 217 | 83.7 Ų | 83.7 | 82% | 0.819 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -81.3 | 96.2 | 175.4 | -135.8 | 173.2 | -169.5 | 148.8 | 0.2 | 108.3 | S428 S432 | S428-R430 PolarHBondContact O-N 2.98Å; R430-S432 VanDerWaalsContact C-N 3.3Å; R430-S432 PolarHBondContact O-N 3.5Å |
| 431 | K | 59.3 | Low | 79.7 | Confident | 194 Ų | 194 | 79 Ų | 79 | 84% | 0.843 | 37% | 0.37 | S | S | * | . | trans | -61.1 | 95 | 166.3 | -75.5 | -177.6 | -178.8 | 177.5 | 0 | 107.8 | R429 R433 | R429-K431 PolarHBondContact O-N 3Å; K431-R433 PolarHBondContact O-N 3.24Å | ||
| 432 | S | 59.3 | Low | 79.9 | Confident | 23 Ų | 23 | 80.8 Ų | 80.8 | 16% | 0.161 | 38% | 0.379 | C | S | . | . | trans | -59 | 123.4 | 171.3 | 164 | 0 | 0 | 0 | 0 | 107.8 | R430 D434 I437 | R430-S432 VanDerWaalsContact C-N 3.3Å; R430-S432 PolarHBondContact O-N 3.5Å; S432-D434 PolarHBondContact O-N 2.95Å; S432-D434 WeakPolarHBondContact OG-CB 3.16Å; S432-D434 PolarHBondContact OG-N 3.07Å; S432-D434 PolarHBondContact OG-OD2 2.79Å; S432-I437 WeakPolarHBondContact OG-CD1 3.31Å | ||
| 433 | R | 60 | Low | 80.1 | Confident | 217 Ų | 217 | 79.1 Ų | 79.1 | 82% | 0.819 | 37% | 0.37 | S | S | * | . | trans | -77.5 | -0.7 | 171.1 | -74.5 | 176.6 | 66.4 | 145.6 | -2.3 | 111.2 | K431 Y435 | K431-R433 PolarHBondContact O-N 3.24Å; R433-Y435 PolarHBondContact O-N 3.17Å | ||
| 434 | D | 72.7 | Confident | 80.2 | Confident | 93 Ų | 93 | 77.1 Ų | 77.1 | 50% | 0.497 | 35% | 0.354 | S | S | . | . | trans | -74.7 | 113.4 | -175.4 | -47.8 | -40.7 | 0 | 0 | 0 | 109.1 | S432 T436 I437 K438 | S432-D434 PolarHBondContact O-N 2.95Å; S432-D434 WeakPolarHBondContact OG-CB 3.16Å; S432-D434 PolarHBondContact OG-N 3.07Å; S432-D434 PolarHBondContact OG-OD2 2.79Å; D434-T436 PolarHBondContact O-N 3.16Å; D434-I437 HydrophobicContact CB-CD1 4.29Å; D434-I437 HydrophobicContact CB-CG1 4.3Å; D434-I437 PolarHBondContact O-N 3.25Å; D434-K438 PolarHBondContact O-N 2.78Å | ||
| 435 | Y | 77.7 | Confident | 80.5 | Confident | 95 Ų | 95 | 77.5 Ų | 77.5 | 37% | 0.373 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -56.9 | -37 | 177 | -73.2 | -71.4 | 0 | 0 | 0 | 111.5 | R433 I437 K438 V439 Y509 L510 | R433-Y435 PolarHBondContact O-N 3.17Å; Y435-I437 VanDerWaalsContact C-N 3.35Å; Y435-I437 PolarHBondContact O-N 3.06Å; Y435-K438 WeakPolarHBondContact O-CB 3.29Å; Y435-K438 PolarHBondContact O-N 2.83Å; Y435-V439 WeakPolarHBondContact O-CG2 3.42Å; Y435-V439 PolarHBondContact O-N 2.83Å; Y435-Y509 HydrophobicContact CD1-CD1 4.15Å; Y435-Y509 HydrophobicContact CG-CD1 4.33Å; Y435-L510 HydrophobicContact CD1-CD1 3.64Å; Y435-L510 HydrophobicContact CD1-CD2 4.06Å; Y435-L510 HydrophobicContact CD1-CG 3.6Å; Y435-L510 HydrophobicContact CE1-CD1 3.76Å; Y435-L510 HydrophobicContact CE1-CG 3.89Å |
| 436 | T | 81.9 | Confident | 80.9 | Confident | 24 Ų | 24 | 75.1 Ų | 75.1 | 15% | 0.147 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -54.3 | -46.6 | 175.9 | -54.7 | 0 | 0 | 0 | 0 | 112.6 | D434 K438 V439 H440 N493 W651 | D434-T436 PolarHBondContact O-N 3.16Å; T436-K438 VanDerWaalsContact C-N 3.27Å; T436-K438 PolarHBondContact O-N 2.93Å; T436-V439 PolarHBondContact O-N 2.91Å; T436-H440 VanDerWaalsContact O-CB 3.27Å; T436-H440 WeakPolarHBondContact O-CB 3.48Å; T436-H440 PolarHBondContact O-N 3.15Å; T436-N493 WeakPolarHBondContact CA-ND2 3.32Å; T436-N493 PolarHBondContact OG1-ND2 2.92Å; T436-W651 HydrophobicContact CG2-CH2 4.37Å |
| 437 | I | 83.9 | Confident | 81.2 | Confident | 36 Ų | 36 | 69 Ų | 69 | 19% | 0.185 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.2 | -37.4 | 179.2 | -67.9 | 175.7 | 0 | 0 | 0 | 110.4 | Y425 S432 D434 Y435 H440 M441 Y652 | Y425-I437 HydrophobicContact CD2-CG2 3.74Å; Y425-I437 HydrophobicContact CE2-CG2 3.46Å; Y425-I437 VanDerWaalsContact CE2-CG2 3.46Å; S432-I437 WeakPolarHBondContact OG-CD1 3.31Å; D434-I437 HydrophobicContact CB-CD1 4.29Å; D434-I437 HydrophobicContact CB-CG1 4.3Å; D434-I437 PolarHBondContact O-N 3.25Å; Y435-I437 VanDerWaalsContact C-N 3.35Å; Y435-I437 PolarHBondContact O-N 3.06Å; I437-H440 WeakPolarHBondContact O-CB 3.18Å; I437-H440 PolarHBondContact O-N 2.99Å; I437-M441 HydrophobicContact CG2-CE 4.16Å; I437-M441 HydrophobicContact CG2-CG 4.41Å; I437-M441 VanDerWaalsContact O-CG 3.27Å; I437-M441 WeakPolarHBondContact O-CG 3.4Å; I437-M441 PolarHBondContact O-N 3.05Å; I437-Y652 HydrophobicContact CG2-CE2 4.37Å |
| 438 | K | 87 | Confident | 81.5 | Confident | 63 Ų | 63 | 67.1 Ų | 67.1 | 27% | 0.274 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -70.5 | -39.6 | 179.2 | -67.4 | 174 | -178.3 | 169.9 | 0 | 113 | D434 Y435 T436 H440 M441 N442 L510 | D434-K438 PolarHBondContact O-N 2.78Å; Y435-K438 WeakPolarHBondContact O-CB 3.29Å; Y435-K438 PolarHBondContact O-N 2.83Å; T436-K438 VanDerWaalsContact C-N 3.27Å; T436-K438 PolarHBondContact O-N 2.93Å; K438-H440 VanDerWaalsContact C-N 3.31Å; K438-M441 PolarHBondContact O-N 3.31Å; K438-N442 PolarHBondContact O-N 2.82Å; K438-N442 PolarHBondContact O-ND2 3.5Å; K438-L510 HydrophobicContact CB-CD1 4.09Å; K438-L510 HydrophobicContact CB-CD2 3.95Å; K438-L510 HydrophobicContact CD-CD1 3.37Å; K438-L510 HydrophobicContact CG-CD1 4.38Å |
| 439 | V | 89.1 | Confident | 82.2 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 173.3 | 179.8 | 0 | 0 | 0 | 0 | 109.3 | Y435 T436 M441 N442 L443 W486 E490 N493 L510 L513 | Y435-V439 WeakPolarHBondContact O-CG2 3.42Å; Y435-V439 PolarHBondContact O-N 2.83Å; T436-V439 PolarHBondContact O-N 2.91Å; V439-M441 PolarHBondContact O-N 2.74Å; V439-N442 WeakPolarHBondContact O-CB 3.43Å; V439-N442 PolarHBondContact O-N 2.89Å; V439-N442 VanDerWaalsContact O-N 3.08Å; V439-L443 PolarHBondContact O-N 2.85Å; V439-W486 HydrophobicContact CG1-CE3 4.1Å; V439-W486 HydrophobicContact CG1-CZ3 3.98Å; V439-E490 HydrophobicContact CG1-CB 4.45Å; V439-E490 WeakPolarHBondContact CG1-OE2 3.21Å; V439-N493 HydrophobicContact CG1-CB 4.32Å; V439-L510 HydrophobicContact CG2-CD2 4.04Å; V439-L513 HydrophobicContact CG2-CD1 3.67Å |
| 440 | H | 88.2 | Confident | 83.6 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.6 | -42.6 | 176.3 | -160 | 81.1 | 0 | 0 | 0 | 113.5 | T436 I437 K438 N442 L443 L444 E490 I648 W651 | T436-H440 VanDerWaalsContact O-CB 3.27Å; T436-H440 WeakPolarHBondContact O-CB 3.48Å; T436-H440 PolarHBondContact O-N 3.15Å; I437-H440 WeakPolarHBondContact O-CB 3.18Å; I437-H440 PolarHBondContact O-N 2.99Å; K438-H440 VanDerWaalsContact C-N 3.31Å; H440-N442 VanDerWaalsContact C-N 3.28Å; H440-N442 PolarHBondContact O-N 2.02Å; H440-L443 PolarHBondContact O-N 3.36Å; H440-L444 WeakPolarHBondContact O-CB 3.47Å; H440-L444 PolarHBondContact O-N 2.77Å; H440-E490 IonicContact CE1-OE1 3.96Å; H440-E490 IonicContact CG-OE1 3.74Å; H440-E490 IonicContact ND1-OE1 2.9Å; H440-E490 PolarHBondContact ND1-OE1 3.43Å; H440-I648 WeakPolarHBondContact CE1-CG2 3.18Å; H440-I648 WeakPolarHBondContact NE2-CG2 3.4Å; H440-W651 AromaticContact CD2-CZ3 3.9Å; H440-W651 AromaticContact CE1-CE3 3.17Å; H440-W651 AromaticContact CE1-CZ3 3.23Å; H440-W651 WeakPolarHBondContact CE1-CZ3 3.42Å; H440-W651 AromaticContact CG-CZ3 3.81Å; H440-W651 AromaticContact ND1-CE3 3.87Å; H440-W651 AromaticContact ND1-CZ3 3.43Å; H440-W651 WeakPolarHBondContact ND1-CZ3 3.09Å; H440-W651 AromaticContact NE2-CE3 3.42Å; H440-W651 AromaticContact NE2-CZ3 3.53Å |
| 441 | M | 90 | Very high | 84.9 | Confident | 13 Ų | 13 | 47.8 Ų | 47.8 | 6% | 0.064 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.8 | -33.5 | 175.6 | -69.5 | -51.8 | 111.4 | 0 | 0 | 112.5 | T421 Y425 I437 K438 V439 S445 Y652 | T421-M441 HydrophobicContact CG2-CE 4.23Å; Y425-M441 HydrophobicContact CD1-CG 3.67Å; Y425-M441 HydrophobicContact CD1-SD 3.95Å; Y425-M441 HydrophobicContact CD2-CG 4.14Å; Y425-M441 HydrophobicContact CD2-SD 4.26Å; Y425-M441 HydrophobicContact CE1-CG 3.87Å; Y425-M441 HydrophobicContact CE2-CG 4.33Å; Y425-M441 HydrophobicContact CG-CG 3.81Å; Y425-M441 HydrophobicContact CG-SD 3.68Å; I437-M441 HydrophobicContact CG2-CE 4.16Å; I437-M441 HydrophobicContact CG2-CG 4.41Å; I437-M441 VanDerWaalsContact O-CG 3.27Å; I437-M441 WeakPolarHBondContact O-CG 3.4Å; I437-M441 PolarHBondContact O-N 3.05Å; K438-M441 PolarHBondContact O-N 3.31Å; V439-M441 PolarHBondContact O-N 2.74Å; M441-S445 WeakPolarHBondContact O-CB 3.15Å; M441-S445 PolarHBondContact O-N 3.01Å; M441-S445 PolarHBondContact O-OG 2.05Å; M441-Y652 HydrophobicContact CE-CD2 3.94Å; M441-Y652 HydrophobicContact CE-CE2 3.81Å |
| 442 | N | 93.2 | Very high | 86.6 | Confident | 39 Ų | 39 | 40.8 Ų | 40.8 | 21% | 0.209 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -71.2 | -42.6 | 175 | -81 | -90.1 | 0 | 0 | 0 | 111.6 | K438 V439 H440 L444 S445 A446 W486 W518 | K438-N442 PolarHBondContact O-N 2.82Å; K438-N442 PolarHBondContact O-ND2 3.5Å; V439-N442 WeakPolarHBondContact O-CB 3.43Å; V439-N442 PolarHBondContact O-N 2.89Å; V439-N442 VanDerWaalsContact O-N 3.08Å; H440-N442 VanDerWaalsContact C-N 3.28Å; H440-N442 PolarHBondContact O-N 2.02Å; N442-L444 VanDerWaalsContact C-N 3.31Å; N442-L444 PolarHBondContact O-N 3.47Å; N442-S445 WeakPolarHBondContact O-CB 3.34Å; N442-S445 PolarHBondContact O-N 3.19Å; N442-A446 PolarHBondContact O-N 2.87Å; N442-W486 HydrophobicContact CB-CD2 3.69Å; N442-W486 HydrophobicContact CB-CE3 3.66Å; N442-W486 HydrophobicContact CB-CH2 3.42Å; N442-W486 VanDerWaalsContact CB-CH2 3.42Å; N442-W486 HydrophobicContact CB-CZ2 3.43Å; N442-W486 VanDerWaalsContact CB-CZ2 3.43Å; N442-W486 HydrophobicContact CB-CZ3 3.53Å; N442-W486 WeakPolarHBondContact OD1-CZ2 3.41Å; N442-W518 PolarHBondContact OD1-NE1 2.92Å |
| 443 | L | 91.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.4 | -46.6 | 172.6 | 174.3 | 60.6 | 0 | 0 | 0 | 110.9 | V439 H440 S445 A446 V447 W486 M487 E490 L613 I648 | V439-L443 PolarHBondContact O-N 2.85Å; H440-L443 PolarHBondContact O-N 3.36Å; L443-S445 VanDerWaalsContact C-N 3.29Å; L443-S445 PolarHBondContact O-N 3.36Å; L443-A446 WeakPolarHBondContact O-CB 3.06Å; L443-A446 PolarHBondContact O-N 2.88Å; L443-A446 VanDerWaalsContact O-N 3.1Å; L443-V447 HydrophobicContact CD1-CG2 4.34Å; L443-V447 WeakPolarHBondContact O-CG2 3.49Å; L443-V447 PolarHBondContact O-N 3.47Å; L443-W486 HydrophobicContact CB-CB 4.07Å; L443-W486 HydrophobicContact CD1-CB 3.73Å; L443-M487 HydrophobicContact CD1-CG 3.72Å; L443-E490 HydrophobicContact CD2-CB 4.07Å; L443-E490 HydrophobicContact CD2-CG 4.05Å; L443-L613 HydrophobicContact CD2-CD2 3.92Å; L443-I648 HydrophobicContact CD2-CD1 3.98Å; L443-I648 HydrophobicContact CG-CD1 4.33Å |
| 444 | L | 92.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.9 | -35.6 | 178.4 | -167.1 | 68.8 | 0 | 0 | 0 | 112.5 | C418 T421 I422 H440 N442 V447 F448 I648 | C418-L444 HydrophobicContact CB-CD1 3.87Å; C418-L444 HydrophobicContact CB-CD2 4.46Å; C418-L444 HydrophobicContact CB-CG 3.9Å; C418-L444 WeakPolarHBondContact SG-CD1 3.19Å; T421-L444 HydrophobicContact CG2-CD2 3.69Å; I422-L444 HydrophobicContact CD1-CD2 4.18Å; I422-L444 HydrophobicContact CD1-CG 4.19Å; I422-L444 HydrophobicContact CG1-CD2 3.59Å; I422-L444 HydrophobicContact CG1-CG 4.15Å; H440-L444 WeakPolarHBondContact O-CB 3.47Å; H440-L444 PolarHBondContact O-N 2.77Å; N442-L444 VanDerWaalsContact C-N 3.31Å; N442-L444 PolarHBondContact O-N 3.47Å; L444-V447 PolarHBondContact O-N 2.91Å; L444-F448 WeakPolarHBondContact O-CB 3.34Å; L444-F448 PolarHBondContact O-N 2.76Å; L444-I648 HydrophobicContact CD1-CG2 3.96Å |
| 445 | S | 93.4 | Very high | 90.5 | Very high | 39 Ų | 39 | 29.6 Ų | 29.6 | 27% | 0.273 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -65.8 | -38.8 | 172.9 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | M441 N442 L443 F448 L449 | M441-S445 WeakPolarHBondContact O-CB 3.15Å; M441-S445 PolarHBondContact O-N 3.01Å; M441-S445 PolarHBondContact O-OG 2.05Å; N442-S445 WeakPolarHBondContact O-CB 3.34Å; N442-S445 PolarHBondContact O-N 3.19Å; L443-S445 VanDerWaalsContact C-N 3.29Å; L443-S445 PolarHBondContact O-N 3.36Å; S445-F448 PolarHBondContact O-N 2.78Å; S445-L449 VanDerWaalsContact O-CG 3.32Å; S445-L449 WeakPolarHBondContact O-CG 3.17Å; S445-L449 PolarHBondContact O-N 3.29Å |
| 446 | A | 94.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.2 | -40.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | N442 L443 L449 L450 A482 C483 W486 W518 | N442-A446 PolarHBondContact O-N 2.87Å; L443-A446 WeakPolarHBondContact O-CB 3.06Å; L443-A446 PolarHBondContact O-N 2.88Å; L443-A446 VanDerWaalsContact O-N 3.1Å; A446-L449 PolarHBondContact O-N 2.98Å; A446-L450 WeakPolarHBondContact O-CB 3.31Å; A446-L450 PolarHBondContact O-N 2.62Å; A446-A482 HydrophobicContact CB-CB 4.38Å; A446-C483 HydrophobicContact CB-CB 4.39Å; A446-W486 HydrophobicContact CB-CG 4.45Å; A446-W518 HydrophobicContact CB-CH2 3.91Å; A446-W518 HydrophobicContact CB-CZ3 4.42Å |
| 447 | V | 92.7 | Very high | 91.3 | Very high | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.024 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.5 | -46.5 | 172.6 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | L443 L444 L449 L450 D451 C483 I648 | L443-V447 HydrophobicContact CD1-CG2 4.34Å; L443-V447 WeakPolarHBondContact O-CG2 3.49Å; L443-V447 PolarHBondContact O-N 3.47Å; L444-V447 PolarHBondContact O-N 2.91Å; V447-L449 PolarHBondContact O-N 2.88Å; V447-L450 WeakPolarHBondContact O-CB 3.38Å; V447-L450 PolarHBondContact O-N 3.3Å; V447-L450 VanDerWaalsContact O-N 3.14Å; V447-D451 PolarHBondContact O-N 3.39Å; V447-C483 VanDerWaalsContact CG2-SG 3.55Å; V447-I648 HydrophobicContact CG2-CD1 4.47Å |
| 448 | F | 94.6 | Very high | 91.2 | Very high | 65 Ų | 65 | 30 Ų | 30 | 29% | 0.285 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -59.1 | -44.7 | 176.5 | 174 | -103.7 | 0 | 0 | 0 | 112.5 | A415 C418 V419 L444 S445 L450 D451 V452 | A415-F448 HydrophobicContact CB-CD2 4.28Å; A415-F448 HydrophobicContact CB-CE2 4.48Å; C418-F448 HydrophobicContact CB-CB 3.95Å; C418-F448 HydrophobicContact CB-CD2 4.3Å; V419-F448 HydrophobicContact CG2-CD2 3.92Å; V419-F448 HydrophobicContact CG2-CE2 3.46Å; V419-F448 VanDerWaalsContact CG2-CE2 3.46Å; V419-F448 HydrophobicContact CG2-CZ 4.15Å; L444-F448 WeakPolarHBondContact O-CB 3.34Å; L444-F448 PolarHBondContact O-N 2.76Å; S445-F448 PolarHBondContact O-N 2.78Å; F448-L450 VanDerWaalsContact C-N 3.3Å; F448-L450 PolarHBondContact O-N 2.87Å; F448-D451 PolarHBondContact O-N 3.44Å; F448-V452 HydrophobicContact CD1-CG2 4.46Å; F448-V452 HydrophobicContact CD2-CG2 4.09Å; F448-V452 HydrophobicContact CE1-CG2 4.05Å; F448-V452 HydrophobicContact CE2-CG2 3.63Å; F448-V452 HydrophobicContact CG-CG2 4.49Å; F448-V452 HydrophobicContact CZ-CG2 3.61Å; F448-V452 WeakPolarHBondContact O-CB 3.29Å; F448-V452 WeakPolarHBondContact O-CG2 3.25Å; F448-V452 PolarHBondContact O-N 3.24Å |
| 449 | L | 94.9 | Very high | 91.1 | Very high | 63 Ų | 63 | 29.9 Ų | 29.9 | 33% | 0.33 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -62.5 | -38.1 | 176.2 | -72.9 | 175.1 | 0 | 0 | 0 | 112 | S445 A446 V447 S453 S479 W518 | S445-L449 VanDerWaalsContact O-CG 3.32Å; S445-L449 WeakPolarHBondContact O-CG 3.17Å; S445-L449 PolarHBondContact O-N 3.29Å; A446-L449 PolarHBondContact O-N 2.98Å; V447-L449 PolarHBondContact O-N 2.88Å; L449-S453 VanDerWaalsContact O-CB 3.22Å; L449-S453 WeakPolarHBondContact O-CB 3.48Å; L449-S453 PolarHBondContact O-N 2.88Å; L449-S453 PolarHBondContact O-OG 2.8Å; L449-S479 PolarHBondContact O-OG 2.94Å; L449-W518 HydrophobicContact CD1-CH2 3.74Å; L449-W518 HydrophobicContact CD1-CZ3 3.74Å |
| 450 | L | 93.9 | Very high | 90.9 | Very high | 29 Ų | 29 | 31.4 Ų | 31.4 | 15% | 0.152 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.3 | -48.8 | 175.8 | 176 | 60.2 | 0 | 0 | 0 | 111.3 | A446 V447 F448 V452 S453 F454 L476 L480 C483 | A446-L450 WeakPolarHBondContact O-CB 3.31Å; A446-L450 PolarHBondContact O-N 2.62Å; V447-L450 WeakPolarHBondContact O-CB 3.38Å; V447-L450 PolarHBondContact O-N 3.3Å; V447-L450 VanDerWaalsContact O-N 3.14Å; F448-L450 VanDerWaalsContact C-N 3.3Å; F448-L450 PolarHBondContact O-N 2.87Å; L450-V452 PolarHBondContact O-N 3.3Å; L450-S453 PolarHBondContact O-N 2.93Å; L450-F454 WeakPolarHBondContact O-CB 3.25Å; L450-F454 PolarHBondContact O-N 3.26Å; L450-L476 HydrophobicContact CD1-CD1 3.96Å; L450-L480 HydrophobicContact CD1-CB 4.09Å; L450-L480 HydrophobicContact CD1-CD1 4.33Å; L450-L480 HydrophobicContact CD2-CD1 4.29Å; L450-C483 HydrophobicContact CD2-CB 4.07Å |
| 451 | D | 93.1 | Very high | 90.5 | Very high | 6 Ų | 6 | 32 Ų | 32 | 3% | 0.032 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.8 | -47.7 | 178.8 | -72.3 | -27.9 | 0 | 0 | 0 | 111 | C411 S414 A415 V447 F448 F454 L455 | C411-D451 HydrophobicContact CB-CB 4.25Å; C411-D451 PolarHBondContact SG-OD1 3.46Å; S414-D451 WeakPolarHBondContact CB-OD2 3.34Å; S414-D451 PolarHBondContact OG-OD2 3.3Å; A415-D451 HydrophobicContact CB-CB 4.04Å; A415-D451 PolarHBondContact N-OD2 3.47Å; V447-D451 PolarHBondContact O-N 3.39Å; F448-D451 PolarHBondContact O-N 3.44Å; D451-F454 PolarHBondContact O-N 3.18Å; D451-L455 WeakPolarHBondContact O-CB 3.46Å; D451-L455 WeakPolarHBondContact O-CG 3.42Å; D451-L455 PolarHBondContact O-N 3.08Å |
| 452 | V | 93.5 | Very high | 90 | Very high | 47 Ų | 47 | 36.3 Ų | 36.3 | 29% | 0.285 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.9 | -43.8 | 177.8 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | F448 L450 F454 L455 L456 | F448-V452 HydrophobicContact CD1-CG2 4.46Å; F448-V452 HydrophobicContact CD2-CG2 4.09Å; F448-V452 HydrophobicContact CE1-CG2 4.05Å; F448-V452 HydrophobicContact CE2-CG2 3.63Å; F448-V452 HydrophobicContact CG-CG2 4.49Å; F448-V452 HydrophobicContact CZ-CG2 3.61Å; F448-V452 WeakPolarHBondContact O-CB 3.29Å; F448-V452 WeakPolarHBondContact O-CG2 3.25Å; F448-V452 PolarHBondContact O-N 3.24Å; L450-V452 PolarHBondContact O-N 3.3Å; V452-F454 VanDerWaalsContact C-N 3.28Å; V452-F454 PolarHBondContact O-N 3.25Å; V452-L455 PolarHBondContact O-N 3.47Å; V452-L456 HydrophobicContact CG1-CD1 3.74Å; V452-L456 HydrophobicContact CG1-CG 4.28Å; V452-L456 WeakPolarHBondContact O-CB 3.38Å; V452-L456 VanDerWaalsContact O-CG 3.26Å; V452-L456 WeakPolarHBondContact O-CG 3.5Å; V452-L456 PolarHBondContact O-N 3.27Å |
| 453 | S | 92.9 | Very high | 89.4 | Confident | 13 Ų | 13 | 38.9 Ų | 38.9 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.2 | -37.8 | 177.7 | -61.3 | 0 | 0 | 0 | 0 | 111.6 | L449 L450 S457 S479 | L449-S453 VanDerWaalsContact O-CB 3.22Å; L449-S453 WeakPolarHBondContact O-CB 3.48Å; L449-S453 PolarHBondContact O-N 2.88Å; L449-S453 PolarHBondContact O-OG 2.8Å; L450-S453 PolarHBondContact O-N 2.93Å; S453-S457 PolarHBondContact O-N 3.12Å; S453-S457 VanDerWaalsContact O-N 3.17Å; S453-S479 PolarHBondContact OG-OG 3.04Å |
| 454 | F | 90.2 | Very high | 88.6 | Confident | 59 Ų | 59 | 42 Ų | 42 | 26% | 0.259 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -68.1 | -48.1 | 177.5 | 179.9 | -100.4 | 0 | 0 | 0 | 111 | C411 L450 D451 V452 L456 S457 L476 | C411-F454 HydrophobicContact CB-CD1 4.29Å; L450-F454 WeakPolarHBondContact O-CB 3.25Å; L450-F454 PolarHBondContact O-N 3.26Å; D451-F454 PolarHBondContact O-N 3.18Å; V452-F454 VanDerWaalsContact C-N 3.28Å; V452-F454 PolarHBondContact O-N 3.25Å; F454-L456 VanDerWaalsContact C-N 3.27Å; F454-L456 PolarHBondContact O-N 2.75Å; F454-S457 WeakPolarHBondContact O-CB 3.36Å; F454-S457 PolarHBondContact O-N 3.11Å; F454-S457 VanDerWaalsContact O-N 3.13Å; F454-S457 PolarHBondContact O-OG 2.97Å; F454-L476 HydrophobicContact CB-CD1 3.98Å |
| 455 | L | 91 | Very high | 88.2 | Confident | 27 Ų | 27 | 44.7 Ų | 44.7 | 14% | 0.141 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.8 | -31 | 178.7 | -68.8 | 172.1 | 0 | 0 | 0 | 113.1 | Y408 C411 V412 D451 V452 P459 | Y408-L455 HydrophobicContact CD1-CD2 4.14Å; Y408-L455 HydrophobicContact CD2-CD2 3.62Å; Y408-L455 HydrophobicContact CE1-CD2 4.06Å; Y408-L455 HydrophobicContact CE2-CD2 3.53Å; Y408-L455 HydrophobicContact CG-CD2 3.92Å; C411-L455 HydrophobicContact CB-CD1 4.49Å; C411-L455 HydrophobicContact CB-CD2 4.18Å; C411-L455 HydrophobicContact CB-CG 4.23Å; V412-L455 HydrophobicContact CG2-CD1 3.98Å; V412-L455 HydrophobicContact CG2-CD2 3.83Å; D451-L455 WeakPolarHBondContact O-CB 3.46Å; D451-L455 WeakPolarHBondContact O-CG 3.42Å; D451-L455 PolarHBondContact O-N 3.08Å; V452-L455 PolarHBondContact O-N 3.47Å; L455-P459 WeakPolarHBondContact O-CD 3.49Å; L455-P459 WeakPolarHBondContact O-CG 3.28Å |
| 456 | L | 90.6 | Very high | 87.8 | Confident | 91 Ų | 91 | 48.6 Ų | 48.6 | 48% | 0.476 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -81.9 | -20.1 | 176.6 | -69.3 | 175.4 | 0 | 0 | 0 | 113.5 | V452 F454 E458 P459 V460 | V452-L456 HydrophobicContact CG1-CD1 3.74Å; V452-L456 HydrophobicContact CG1-CG 4.28Å; V452-L456 WeakPolarHBondContact O-CB 3.38Å; V452-L456 VanDerWaalsContact O-CG 3.26Å; V452-L456 WeakPolarHBondContact O-CG 3.5Å; V452-L456 PolarHBondContact O-N 3.27Å; F454-L456 VanDerWaalsContact C-N 3.27Å; F454-L456 PolarHBondContact O-N 2.75Å; L456-E458 PolarHBondContact O-N 3.35Å; L456-P459 WeakPolarHBondContact O-CD 3.47Å; L456-V460 HydrophobicContact CB-CG2 4.48Å; L456-V460 VanDerWaalsContact O-CB 3.3Å; L456-V460 WeakPolarHBondContact O-CB 3.5Å; L456-V460 WeakPolarHBondContact O-CG2 3.32Å; L456-V460 PolarHBondContact O-N 3.43Å |
| 457 | S | 85.7 | Confident | 87.4 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 5% | 0.049 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.2 | -41.4 | -171.9 | 69.9 | 0 | 0 | 0 | 0 | 113.6 | S453 F454 A461 | S453-S457 PolarHBondContact O-N 3.12Å; S453-S457 VanDerWaalsContact O-N 3.17Å; F454-S457 WeakPolarHBondContact O-CB 3.36Å; F454-S457 PolarHBondContact O-N 3.11Å; F454-S457 VanDerWaalsContact O-N 3.13Å; F454-S457 PolarHBondContact O-OG 2.97Å; S457-A461 WeakPolarHBondContact O-CB 3.4Å; S457-A461 PolarHBondContact O-N 3.17Å; S457-A461 VanDerWaalsContact O-N 3.08Å |
| 458 | E | 82 | Confident | 87.2 | Confident | 65 Ų | 65 | 53 Ų | 53 | 30% | 0.304 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -73.5 | -51.4 | 178.3 | 171.7 | 178.7 | -163.4 | 0 | 0 | 112 | L456 V460 A461 L462 | L456-E458 PolarHBondContact O-N 3.35Å; E458-V460 VanDerWaalsContact C-N 3.27Å; E458-V460 PolarHBondContact O-N 2.85Å; E458-A461 WeakPolarHBondContact O-CB 3.32Å; E458-A461 PolarHBondContact O-N 3.29Å; E458-A461 VanDerWaalsContact O-N 3.1Å; E458-L462 HydrophobicContact CG-CD1 4.46Å; E458-L462 WeakPolarHBondContact O-CG 3.44Å; E458-L462 PolarHBondContact O-N 3.49Å |
| 459 | P | 85.4 | Confident | 86.9 | Confident | 60 Ų | 60 | 50 Ų | 50 | 39% | 0.39 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -53.6 | -41.8 | 173.5 | -27.7 | 33.2 | 0 | 0 | 0 | 113.5 | L455 L456 L462 T463 | L455-P459 WeakPolarHBondContact O-CD 3.49Å; L455-P459 WeakPolarHBondContact O-CG 3.28Å; L456-P459 WeakPolarHBondContact O-CD 3.47Å; P459-L462 PolarHBondContact O-N 3.26Å; P459-T463 WeakPolarHBondContact O-CG2 3.46Å; P459-T463 PolarHBondContact O-N 3.31Å |
| 460 | V | 85.5 | Confident | 86.7 | Confident | 33 Ų | 33 | 50.1 Ų | 50.1 | 20% | 0.2 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.4 | -40.1 | 178.5 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | L456 E458 L462 T463 A468 | L456-V460 HydrophobicContact CB-CG2 4.48Å; L456-V460 VanDerWaalsContact O-CB 3.3Å; L456-V460 WeakPolarHBondContact O-CB 3.5Å; L456-V460 WeakPolarHBondContact O-CG2 3.32Å; L456-V460 PolarHBondContact O-N 3.43Å; E458-V460 VanDerWaalsContact C-N 3.27Å; E458-V460 PolarHBondContact O-N 2.85Å; V460-L462 PolarHBondContact O-N 2.83Å; V460-T463 PolarHBondContact O-N 2.77Å; V460-T463 VanDerWaalsContact O-N 3.13Å; V460-T463 PolarHBondContact O-OG1 3.06Å; V460-A468 HydrophobicContact CG1-CB 3.76Å; V460-A468 WeakPolarHBondContact CG1-O 3.42Å |
| 461 | A | 79.3 | Confident | 86.5 | Confident | 13 Ų | 13 | 52.1 Ų | 52.1 | 11% | 0.107 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.8 | -31.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S457 E458 T463 S554 | S457-A461 WeakPolarHBondContact O-CB 3.4Å; S457-A461 PolarHBondContact O-N 3.17Å; S457-A461 VanDerWaalsContact O-N 3.08Å; E458-A461 WeakPolarHBondContact O-CB 3.32Å; E458-A461 PolarHBondContact O-N 3.29Å; E458-A461 VanDerWaalsContact O-N 3.1Å; A461-T463 VanDerWaalsContact C-N 3.34Å; A461-S554 WeakPolarHBondContact CB-O 3.33Å; A461-S554 VanDerWaalsContact CB-OG 3.26Å; A461-S554 WeakPolarHBondContact CB-OG 2.96Å |
| 462 | L | 79 | Confident | 86.4 | Confident | 102 Ų | 102 | 52.4 Ų | 52.4 | 53% | 0.534 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -72.8 | -21.7 | 176 | -67.3 | 172 | 0 | 0 | 0 | 113.7 | E458 P459 V460 G464 | E458-L462 HydrophobicContact CG-CD1 4.46Å; E458-L462 WeakPolarHBondContact O-CG 3.44Å; E458-L462 PolarHBondContact O-N 3.49Å; P459-L462 PolarHBondContact O-N 3.26Å; V460-L462 PolarHBondContact O-N 2.83Å; L462-G464 PolarHBondContact O-N 2.82Å |
| 463 | T | 81.6 | Confident | 86.3 | Confident | 94 Ų | 94 | 50.1 Ų | 50.1 | 58% | 0.577 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -15.1 | 177.4 | 66.4 | 0 | 0 | 0 | 0 | 113.8 | P459 V460 A461 S465 | P459-T463 WeakPolarHBondContact O-CG2 3.46Å; P459-T463 PolarHBondContact O-N 3.31Å; V460-T463 PolarHBondContact O-N 2.77Å; V460-T463 VanDerWaalsContact O-N 3.13Å; V460-T463 PolarHBondContact O-OG1 3.06Å; A461-T463 VanDerWaalsContact C-N 3.34Å; T463-S465 PolarHBondContact O-N 2.89Å |
| 464 | G | 74.7 | Confident | 86.2 | Confident | 66 Ų | 66 | 51.6 Ų | 51.6 | 68% | 0.68 | 31% | 0.307 | S | S | * | . | trans | 72.8 | 0.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | L462 E466 | L462-G464 PolarHBondContact O-N 2.82Å; G464-E466 PolarHBondContact O-N 2.99Å | ||
| 465 | S | 84.7 | Confident | 86.4 | Confident | 56 Ų | 56 | 54.4 Ų | 54.4 | 39% | 0.392 | 32% | 0.32 | S | S | . | . | trans | -81.1 | 111.8 | 176.6 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | T463 A467 A468 C469 | T463-S465 PolarHBondContact O-N 2.89Å; S465-A467 VanDerWaalsContact C-N 3.28Å; S465-A467 PolarHBondContact O-N 2.86Å; S465-A468 PolarHBondContact O-N 2.86Å; S465-A468 PolarHBondContact OG-N 2.86Å; S465-C469 PolarHBondContact O-N 2.82Å | ||
| 466 | E | 83.5 | Confident | 86.5 | Confident | 121 Ų | 121 | 53.8 Ų | 53.8 | 57% | 0.565 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -57.1 | -42 | 177.4 | -69.4 | -169 | -179.1 | 0 | 0 | 112.4 | G464 C469 R470 | G464-E466 PolarHBondContact O-N 2.99Å; E466-C469 PolarHBondContact O-N 2.82Å; E466-R470 WeakPolarHBondContact O-CG 3.16Å; E466-R470 PolarHBondContact O-N 2.8Å; E466-R470 IonicContact OE2-CZ 3.65Å; E466-R470 IonicContact OE2-NH1 3.87Å; E466-R470 IonicContact OE2-NH2 2.81Å; E466-R470 PolarHBondContact OE2-NH2 3.18Å |
| 467 | A | 87 | Confident | 86.6 | Confident | 61 Ų | 61 | 49.4 Ų | 49.4 | 50% | 0.504 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S465 C469 R470 T471 | S465-A467 VanDerWaalsContact C-N 3.28Å; S465-A467 PolarHBondContact O-N 2.86Å; A467-C469 VanDerWaalsContact C-N 3.31Å; A467-C469 PolarHBondContact O-N 2.86Å; A467-R470 PolarHBondContact O-N 2.97Å; A467-T471 PolarHBondContact O-N 3Å; A467-T471 PolarHBondContact O-OG1 3.26Å; A467-T471 VanDerWaalsContact O-OG1 3.08Å |
| 468 | A | 89 | Confident | 87.1 | Confident | 34 Ų | 34 | 50.8 Ų | 50.8 | 28% | 0.281 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V460 S465 T471 S472 | V460-A468 HydrophobicContact CG1-CB 3.76Å; V460-A468 WeakPolarHBondContact CG1-O 3.42Å; S465-A468 PolarHBondContact O-N 2.86Å; S465-A468 PolarHBondContact OG-N 2.86Å; A468-T471 PolarHBondContact O-N 2.93Å; A468-S472 WeakPolarHBondContact O-CB 3.01Å; A468-S472 PolarHBondContact O-N 2.81Å |
| 469 | C | 87.9 | Confident | 87.6 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 3% | 0.027 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 177.6 | -170.5 | 0 | 0 | 0 | 0 | 112.3 | S465 E466 A467 T471 S472 A473 C556 | S465-C469 PolarHBondContact O-N 2.82Å; E466-C469 PolarHBondContact O-N 2.82Å; A467-C469 VanDerWaalsContact C-N 3.31Å; A467-C469 PolarHBondContact O-N 2.86Å; C469-T471 PolarHBondContact O-N 3.49Å; C469-S472 PolarHBondContact O-N 2.93Å; C469-A473 WeakPolarHBondContact O-CB 3.28Å; C469-A473 PolarHBondContact O-N 3.33Å; C469-C556 WeakPolarHBondContact CA-SG 3.5Å; C469-C556 HydrophobicContact CB-CB 4.14Å; C469-C556 WeakPolarHBondContact CB-SG 3.46Å; C469-C556 VanDerWaalsContact O-CB 3.3Å; C469-C556 WeakPolarHBondContact O-CB 3.01Å; C469-C556 VanDerWaalsContact SG-CA 3.57Å; C469-C556 WeakPolarHBondContact SG-CB 3.42Å; C469-C556 CovalentContact SG-SG 2.03Å; C469-C556 PolarHBondContact SG-SG 2.91Å |
| 470 | R | 89.6 | Confident | 87.9 | Confident | 65 Ų | 65 | 46.1 Ų | 46.1 | 25% | 0.245 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.2 | -48.5 | 174.2 | -74.5 | -178.5 | -169.3 | 130.7 | 15.3 | 111.4 | E466 A467 S472 A473 M474 Y536 | E466-R470 WeakPolarHBondContact O-CG 3.16Å; E466-R470 PolarHBondContact O-N 2.8Å; E466-R470 IonicContact OE2-CZ 3.65Å; E466-R470 IonicContact OE2-NH1 3.87Å; E466-R470 IonicContact OE2-NH2 2.81Å; E466-R470 PolarHBondContact OE2-NH2 3.18Å; A467-R470 PolarHBondContact O-N 2.97Å; R470-S472 PolarHBondContact O-N 2.59Å; R470-A473 PolarHBondContact O-N 2.75Å; R470-M474 HydrophobicContact CB-CE 4.43Å; R470-M474 VanDerWaalsContact O-CG 3.31Å; R470-M474 WeakPolarHBondContact O-CG 3.36Å; R470-M474 PolarHBondContact O-N 2.98Å; R470-Y536 WeakPolarHBondContact CG-O 3.42Å |
| 471 | T | 90.6 | Very high | 88.3 | Confident | 70 Ų | 70 | 44.6 Ų | 44.6 | 43% | 0.429 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.6 | -44.9 | 178.1 | -59.8 | 0 | 0 | 0 | 0 | 111.6 | A467 A468 C469 A473 M474 F475 | A467-T471 PolarHBondContact O-N 3Å; A467-T471 PolarHBondContact O-OG1 3.26Å; A467-T471 VanDerWaalsContact O-OG1 3.08Å; A468-T471 PolarHBondContact O-N 2.93Å; C469-T471 PolarHBondContact O-N 3.49Å; T471-A473 VanDerWaalsContact C-N 3.34Å; T471-A473 PolarHBondContact O-N 3.03Å; T471-M474 PolarHBondContact O-N 3.22Å; T471-F475 HydrophobicContact CG2-CD2 3.69Å; T471-F475 HydrophobicContact CG2-CE2 3.6Å; T471-F475 VanDerWaalsContact O-CD2 3.28Å; T471-F475 WeakPolarHBondContact O-CD2 3.4Å; T471-F475 PolarHBondContact O-N 2.99Å |
| 472 | S | 91.2 | Very high | 89 | Confident | 12 Ų | 12 | 44 Ų | 44 | 8% | 0.084 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.1 | -40.8 | 176.5 | -171.9 | 0 | 0 | 0 | 0 | 112.4 | A468 C469 R470 F475 L476 | A468-S472 WeakPolarHBondContact O-CB 3.01Å; A468-S472 PolarHBondContact O-N 2.81Å; C469-S472 PolarHBondContact O-N 2.93Å; R470-S472 PolarHBondContact O-N 2.59Å; S472-F475 PolarHBondContact O-N 3.23Å; S472-L476 WeakPolarHBondContact O-CB 3.26Å; S472-L476 PolarHBondContact O-N 3.01Å |
| 473 | A | 90.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.3 | -39.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | C469 R470 T471 L476 H477 Y536 C556 | C469-A473 WeakPolarHBondContact O-CB 3.28Å; C469-A473 PolarHBondContact O-N 3.33Å; R470-A473 PolarHBondContact O-N 2.75Å; T471-A473 VanDerWaalsContact C-N 3.34Å; T471-A473 PolarHBondContact O-N 3.03Å; A473-L476 PolarHBondContact O-N 3.13Å; A473-H477 WeakPolarHBondContact O-CB 3.42Å; A473-H477 PolarHBondContact O-N 2.93Å; A473-Y536 HydrophobicContact CB-CD1 3.86Å; A473-Y536 HydrophobicContact CB-CG 4.4Å; A473-C556 HydrophobicContact CB-CB 4.1Å |
| 474 | M | 92 | Very high | 90.1 | Very high | 43 Ų | 43 | 34.8 Ų | 34.8 | 21% | 0.212 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.4 | -44.7 | 174.3 | -68.2 | 170.4 | -168.9 | 0 | 0 | 111.7 | R470 T471 H477 F478 V525 A529 V533 Y536 | R470-M474 HydrophobicContact CB-CE 4.43Å; R470-M474 VanDerWaalsContact O-CG 3.31Å; R470-M474 WeakPolarHBondContact O-CG 3.36Å; R470-M474 PolarHBondContact O-N 2.98Å; T471-M474 PolarHBondContact O-N 3.22Å; M474-H477 PolarHBondContact O-N 2.93Å; M474-F478 VanDerWaalsContact O-CB 3.31Å; M474-F478 WeakPolarHBondContact O-CB 3.26Å; M474-F478 PolarHBondContact O-N 2.56Å; M474-V525 HydrophobicContact CB-CG1 4.12Å; M474-V525 HydrophobicContact CG-CG1 4.42Å; M474-A529 HydrophobicContact CE-CB 4.18Å; M474-V533 HydrophobicContact CE-CG2 3.45Å; M474-V533 VanDerWaalsContact CE-CG2 3.45Å; M474-Y536 HydrophobicContact CE-CD2 3.75Å; M474-Y536 HydrophobicContact CE-CE2 4.36Å; M474-Y536 HydrophobicContact CE-CG 4.34Å; M474-Y536 HydrophobicContact CG-CD1 4.26Å; M474-Y536 HydrophobicContact CG-CD2 3.84Å; M474-Y536 HydrophobicContact CG-CE1 4.39Å; M474-Y536 HydrophobicContact CG-CE2 3.97Å; M474-Y536 HydrophobicContact CG-CG 3.99Å |
| 475 | F | 94.1 | Very high | 91 | Very high | 119 Ų | 119 | 32.5 Ų | 32.5 | 52% | 0.522 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.9 | -40.1 | 176.5 | -88.3 | -72.2 | 0 | 0 | 0 | 112.5 | T471 S472 F478 S479 | T471-F475 HydrophobicContact CG2-CD2 3.69Å; T471-F475 HydrophobicContact CG2-CE2 3.6Å; T471-F475 VanDerWaalsContact O-CD2 3.28Å; T471-F475 WeakPolarHBondContact O-CD2 3.4Å; T471-F475 PolarHBondContact O-N 2.99Å; S472-F475 PolarHBondContact O-N 3.23Å; F475-F478 PolarHBondContact O-N 2.87Å; F475-S479 WeakPolarHBondContact O-CB 3.32Å; F475-S479 PolarHBondContact O-N 2.75Å; F475-S479 PolarHBondContact O-OG 3.3Å |
| 476 | L | 92.6 | Very high | 91.4 | Very high | 13 Ų | 13 | 29.9 Ų | 29.9 | 7% | 0.068 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.9 | -44.9 | 176.3 | -172.4 | 60.6 | 0 | 0 | 0 | 111.1 | L450 F454 S472 A473 S479 L480 W557 | L450-L476 HydrophobicContact CD1-CD1 3.96Å; F454-L476 HydrophobicContact CB-CD1 3.98Å; S472-L476 WeakPolarHBondContact O-CB 3.26Å; S472-L476 PolarHBondContact O-N 3.01Å; A473-L476 PolarHBondContact O-N 3.13Å; L476-S479 PolarHBondContact O-N 3.14Å; L476-L480 WeakPolarHBondContact O-CB 3.16Å; L476-L480 PolarHBondContact O-N 2.91Å; L476-W557 HydrophobicContact CB-CE3 4.43Å; L476-W557 HydrophobicContact CB-CZ3 4.12Å; L476-W557 HydrophobicContact CD2-CE3 3.59Å; L476-W557 HydrophobicContact CD2-CZ3 3.73Å; L476-W557 HydrophobicContact CG-CE3 4Å; L476-W557 HydrophobicContact CG-CZ3 3.61Å |
| 477 | H | 92.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.5 | -45.4 | 175.9 | -173.6 | -150.1 | 0 | 0 | 0 | 111.5 | A473 M474 S479 L480 L481 V525 Y536 W557 T567 N568 | A473-H477 WeakPolarHBondContact O-CB 3.42Å; A473-H477 PolarHBondContact O-N 2.93Å; M474-H477 PolarHBondContact O-N 2.93Å; H477-S479 PolarHBondContact O-N 3.48Å; H477-L480 PolarHBondContact O-N 3.27Å; H477-L481 WeakPolarHBondContact O-CG 3.45Å; H477-L481 PolarHBondContact O-N 3.15Å; H477-V525 HydrophobicContact CB-CG2 4.36Å; H477-Y536 HydrophobicContact CB-CE1 4.24Å; H477-Y536 AromaticContact ND1-CE1 3.86Å; H477-Y536 AromaticContact ND1-CZ 3.83Å; H477-Y536 PolarHBondContact ND1-OH 2.8Å; H477-W557 HydrophobicContact CB-CZ3 4.42Å; H477-T567 PolarHBondContact NE2-OG1 3.47Å; H477-N568 PolarHBondContact CD2-OD1 3.43Å; H477-N568 PolarHBondContact NE2-OD1 2.97Å |
| 478 | F | 95 | Very high | 91.9 | Very high | 36 Ų | 36 | 21.6 Ų | 21.6 | 16% | 0.158 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58 | -49.6 | 175.6 | 161.9 | -107.6 | 0 | 0 | 0 | 112 | M474 F475 L480 L481 A482 W518 P521 V522 V525 | M474-F478 VanDerWaalsContact O-CB 3.31Å; M474-F478 WeakPolarHBondContact O-CB 3.26Å; M474-F478 PolarHBondContact O-N 2.56Å; F475-F478 PolarHBondContact O-N 2.87Å; F478-L480 VanDerWaalsContact C-N 3.31Å; F478-L480 PolarHBondContact O-N 2.92Å; F478-L481 PolarHBondContact O-N 3.1Å; F478-A482 HydrophobicContact CE2-CB 4.36Å; F478-A482 HydrophobicContact CZ-CB 4.48Å; F478-A482 WeakPolarHBondContact O-CB 3.42Å; F478-A482 PolarHBondContact O-N 2.95Å; F478-W518 HydrophobicContact CE1-CZ3 4.38Å; F478-W518 HydrophobicContact CE2-CE3 4.32Å; F478-W518 AromaticContact CZ-CE3 3.7Å; F478-W518 HydrophobicContact CZ-CE3 3.7Å; F478-W518 AromaticContact CZ-CZ3 3.93Å; F478-W518 HydrophobicContact CZ-CZ3 3.93Å; F478-P521 HydrophobicContact CD2-CB 3.72Å; F478-P521 HydrophobicContact CE2-CB 3.87Å; F478-V522 HydrophobicContact CD2-CG2 4Å; F478-V522 HydrophobicContact CE2-CG2 3.53Å; F478-V522 HydrophobicContact CZ-CG2 4.33Å; F478-V525 HydrophobicContact CB-CG2 3.96Å |
| 479 | S | 94.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.007 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64 | -38.3 | -178.6 | -55.5 | 0 | 0 | 0 | 0 | 111.7 | L449 S453 F475 L476 H477 A482 C483 | L449-S479 PolarHBondContact O-OG 2.94Å; S453-S479 PolarHBondContact OG-OG 3.04Å; F475-S479 WeakPolarHBondContact O-CB 3.32Å; F475-S479 PolarHBondContact O-N 2.75Å; F475-S479 PolarHBondContact O-OG 3.3Å; L476-S479 PolarHBondContact O-N 3.14Å; H477-S479 PolarHBondContact O-N 3.48Å; S479-A482 PolarHBondContact O-N 2.8Å; S479-C483 VanDerWaalsContact O-CB 3.24Å; S479-C483 WeakPolarHBondContact O-CB 3.3Å; S479-C483 PolarHBondContact O-N 2.77Å |
| 480 | L | 92 | Very high | 92.2 | Very high | 25 Ų | 25 | 20.8 Ų | 20.8 | 13% | 0.131 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.6 | -51.4 | 173.9 | -179 | 71.8 | 0 | 0 | 0 | 111.1 | L450 L476 H477 F478 A482 C483 L484 W557 F572 | L450-L480 HydrophobicContact CD1-CB 4.09Å; L450-L480 HydrophobicContact CD1-CD1 4.33Å; L450-L480 HydrophobicContact CD2-CD1 4.29Å; L476-L480 WeakPolarHBondContact O-CB 3.16Å; L476-L480 PolarHBondContact O-N 2.91Å; H477-L480 PolarHBondContact O-N 3.27Å; F478-L480 VanDerWaalsContact C-N 3.31Å; F478-L480 PolarHBondContact O-N 2.92Å; L480-A482 VanDerWaalsContact C-N 3.34Å; L480-A482 PolarHBondContact O-N 3.23Å; L480-C483 WeakPolarHBondContact O-CB 3.42Å; L480-C483 PolarHBondContact O-N 2.87Å; L480-L484 WeakPolarHBondContact O-CG 3.38Å; L480-L484 PolarHBondContact O-N 3.06Å; L480-W557 HydrophobicContact CD2-CH2 3.74Å; L480-W557 HydrophobicContact CD2-CZ2 4.34Å; L480-F572 HydrophobicContact CD1-CE1 4.19Å; L480-F572 HydrophobicContact CD1-CZ 4.11Å; L480-F572 HydrophobicContact CD2-CE1 4.41Å; L480-F572 HydrophobicContact CD2-CZ 3.88Å; L480-F572 HydrophobicContact CG-CE1 4.37Å; L480-F572 HydrophobicContact CG-CZ 4.27Å |
| 481 | L | 93.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.1 | -38.1 | 179.4 | -66.4 | -171.8 | 0 | 0 | 0 | 112.5 | H477 F478 L484 S485 P521 L524 V525 L571 | H477-L481 WeakPolarHBondContact O-CG 3.45Å; H477-L481 PolarHBondContact O-N 3.15Å; F478-L481 PolarHBondContact O-N 3.1Å; L481-L484 HydrophobicContact CD2-CD1 4.26Å; L481-L484 PolarHBondContact O-N 2.94Å; L481-S485 WeakPolarHBondContact O-CB 3.5Å; L481-S485 PolarHBondContact O-N 2.86Å; L481-S485 PolarHBondContact O-OG 2.97Å; L481-P521 HydrophobicContact CB-CB 3.8Å; L481-P521 HydrophobicContact CB-CG 4.17Å; L481-L524 HydrophobicContact CD1-CB 3.9Å; L481-L524 HydrophobicContact CD1-CD1 4.01Å; L481-V525 HydrophobicContact CD1-CG2 4.08Å; L481-L571 HydrophobicContact CD1-CD1 4.49Å; L481-L571 HydrophobicContact CD2-CD1 3.51Å |
| 482 | A | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.6 | -43.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A446 F478 S479 L480 L484 S485 W486 W518 P521 | A446-A482 HydrophobicContact CB-CB 4.38Å; F478-A482 HydrophobicContact CE2-CB 4.36Å; F478-A482 HydrophobicContact CZ-CB 4.48Å; F478-A482 WeakPolarHBondContact O-CB 3.42Å; F478-A482 PolarHBondContact O-N 2.95Å; S479-A482 PolarHBondContact O-N 2.8Å; L480-A482 VanDerWaalsContact C-N 3.34Å; L480-A482 PolarHBondContact O-N 3.23Å; A482-L484 PolarHBondContact O-N 2.82Å; A482-S485 PolarHBondContact O-N 2.93Å; A482-W486 PolarHBondContact O-N 3.4Å; A482-W518 HydrophobicContact CB-CE3 3.92Å; A482-W518 HydrophobicContact CB-CZ3 3.79Å; A482-P521 VanDerWaalsContact CA-CG 3.45Å; A482-P521 HydrophobicContact CB-CB 4.2Å; A482-P521 HydrophobicContact CB-CG 3.94Å |
| 483 | C | 92.4 | Very high | 92 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.007 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -58.7 | -48.5 | 176.2 | -160.3 | 0 | 0 | 0 | 0 | 110.8 | A446 V447 L450 S479 L480 S485 W486 M487 | A446-C483 HydrophobicContact CB-CB 4.39Å; V447-C483 VanDerWaalsContact CG2-SG 3.55Å; L450-C483 HydrophobicContact CD2-CB 4.07Å; S479-C483 VanDerWaalsContact O-CB 3.24Å; S479-C483 WeakPolarHBondContact O-CB 3.3Å; S479-C483 PolarHBondContact O-N 2.77Å; L480-C483 WeakPolarHBondContact O-CB 3.42Å; L480-C483 PolarHBondContact O-N 2.87Å; C483-S485 PolarHBondContact O-N 3.49Å; C483-W486 PolarHBondContact O-N 3.04Å; C483-M487 HydrophobicContact CB-CE 4.27Å; C483-M487 VanDerWaalsContact O-CG 3.29Å; C483-M487 WeakPolarHBondContact O-CG 3.29Å; C483-M487 PolarHBondContact O-N 2.93Å; C483-M487 WeakPolarHBondContact SG-CE 3.32Å |
| 484 | L | 90.7 | Very high | 91.8 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -59.5 | -45.1 | 175.4 | -68.9 | 174.2 | 0 | 0 | 0 | 113.6 | L480 L481 A482 W486 M487 G488 L571 F572 V575 W617 | L480-L484 WeakPolarHBondContact O-CG 3.38Å; L480-L484 PolarHBondContact O-N 3.06Å; L481-L484 HydrophobicContact CD2-CD1 4.26Å; L481-L484 PolarHBondContact O-N 2.94Å; A482-L484 PolarHBondContact O-N 2.82Å; L484-W486 VanDerWaalsContact C-N 3.33Å; L484-W486 PolarHBondContact O-N 3.05Å; L484-M487 PolarHBondContact O-N 2.91Å; L484-G488 PolarHBondContact O-N 2.79Å; L484-L571 HydrophobicContact CD1-CB 4.4Å; L484-F572 HydrophobicContact CD1-CD1 3.29Å; L484-F572 HydrophobicContact CD1-CE1 3.27Å; L484-F572 HydrophobicContact CD1-CG 4.41Å; L484-F572 HydrophobicContact CD1-CZ 4.37Å; L484-F572 HydrophobicContact CD2-CD1 3.4Å; L484-F572 HydrophobicContact CD2-CE1 3.56Å; L484-F572 HydrophobicContact CG-CD1 3.87Å; L484-F572 HydrophobicContact CG-CE1 3.76Å; L484-V575 HydrophobicContact CB-CG2 4.4Å; L484-W617 HydrophobicContact CD2-CD2 4.28Å; L484-W617 HydrophobicContact CD2-CE3 4.39Å; L484-W617 HydrophobicContact CD2-CH2 3.53Å; L484-W617 HydrophobicContact CD2-CZ2 3.36Å; L484-W617 HydrophobicContact CD2-CZ3 4.05Å |
| 485 | S | 93.1 | Very high | 91.5 | Very high | 19 Ų | 19 | 18.4 Ų | 18.4 | 13% | 0.133 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.9 | -47 | 179.6 | -58.1 | 0 | 0 | 0 | 0 | 109.8 | L481 A482 C483 M487 G488 L489 | L481-S485 WeakPolarHBondContact O-CB 3.5Å; L481-S485 PolarHBondContact O-N 2.86Å; L481-S485 PolarHBondContact O-OG 2.97Å; A482-S485 PolarHBondContact O-N 2.93Å; C483-S485 PolarHBondContact O-N 3.49Å; S485-M487 PolarHBondContact O-N 2.96Å; S485-G488 PolarHBondContact O-N 3.42Å; S485-L489 VanDerWaalsContact O-CG 3.3Å; S485-L489 WeakPolarHBondContact O-CG 3.45Å; S485-L489 PolarHBondContact O-N 3.13Å |
| 486 | W | 93.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -67.1 | -32 | 176.3 | -79 | 108.8 | 0 | 0 | 0 | 113.7 | V439 N442 L443 A446 A482 C483 L484 L489 E490 L513 W518 | V439-W486 HydrophobicContact CG1-CE3 4.1Å; V439-W486 HydrophobicContact CG1-CZ3 3.98Å; N442-W486 HydrophobicContact CB-CD2 3.69Å; N442-W486 HydrophobicContact CB-CE3 3.66Å; N442-W486 HydrophobicContact CB-CH2 3.42Å; N442-W486 VanDerWaalsContact CB-CH2 3.42Å; N442-W486 HydrophobicContact CB-CZ2 3.43Å; N442-W486 VanDerWaalsContact CB-CZ2 3.43Å; N442-W486 HydrophobicContact CB-CZ3 3.53Å; N442-W486 WeakPolarHBondContact OD1-CZ2 3.41Å; L443-W486 HydrophobicContact CB-CB 4.07Å; L443-W486 HydrophobicContact CD1-CB 3.73Å; A446-W486 HydrophobicContact CB-CG 4.45Å; A482-W486 PolarHBondContact O-N 3.4Å; C483-W486 PolarHBondContact O-N 3.04Å; L484-W486 VanDerWaalsContact C-N 3.33Å; L484-W486 PolarHBondContact O-N 3.05Å; W486-L489 HydrophobicContact CD2-CD1 4.4Å; W486-L489 HydrophobicContact CE3-CB 4.27Å; W486-L489 HydrophobicContact CE3-CD1 4.05Å; W486-L489 HydrophobicContact CZ3-CD1 4.13Å; W486-L489 PolarHBondContact O-N 2.79Å; W486-E490 VanDerWaalsContact O-CB 3.32Å; W486-E490 WeakPolarHBondContact O-CB 3.22Å; W486-E490 PolarHBondContact O-N 2.89Å; W486-L513 HydrophobicContact CH2-CB 4.38Å; W486-W518 AromaticContact CE2-CD1 3.96Å; W486-W518 AromaticContact CE2-CE2 3.95Å; W486-W518 AromaticContact CE2-NE1 3.55Å; W486-W518 AromaticContact CZ2-CD1 3.56Å; W486-W518 HydrophobicContact CZ2-CG 4.49Å; W486-W518 AromaticContact CZ2-NE1 3.31Å; W486-W518 VanDerWaalsContact CZ2-NE1 3.31Å; W486-W518 AromaticContact NE1-CD1 3.71Å; W486-W518 AromaticContact NE1-CD2 3.61Å; W486-W518 AromaticContact NE1-CE2 3.22Å; W486-W518 AromaticContact NE1-CG 3.92Å; W486-W518 AromaticContact NE1-CZ2 3.61Å; W486-W518 AromaticContact NE1-NE1 3.29Å |
| 487 | M | 90.5 | Very high | 90.5 | Very high | 2 Ų | 2 | 17.7 Ų | 17.7 | 1% | 0.01 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.2 | -41.6 | 172.7 | -72.8 | -175.4 | -146.4 | 0 | 0 | 112 | L443 C483 L484 S485 G491 N579 L613 W617 Q644 | L443-M487 HydrophobicContact CD1-CG 3.72Å; C483-M487 HydrophobicContact CB-CE 4.27Å; C483-M487 VanDerWaalsContact O-CG 3.29Å; C483-M487 WeakPolarHBondContact O-CG 3.29Å; C483-M487 PolarHBondContact O-N 2.93Å; C483-M487 WeakPolarHBondContact SG-CE 3.32Å; L484-M487 PolarHBondContact O-N 2.91Å; S485-M487 PolarHBondContact O-N 2.96Å; M487-G491 PolarHBondContact O-N 3.17Å; M487-N579 PolarHBondContact O-ND2 3.46Å; M487-L613 HydrophobicContact CB-CD2 4.2Å; M487-L613 HydrophobicContact CG-CD2 3.87Å; M487-W617 HydrophobicContact CE-CZ2 3.69Å; M487-W617 HydrophobicContact SD-CZ2 3.59Å; M487-W617 VanDerWaalsContact SD-CZ2 3.59Å; M487-W617 PolarHBondContact SD-NE1 3.14Å; M487-Q644 VanDerWaalsContact CE-CD 3.45Å; M487-Q644 PolarHBondContact SD-NE2 3.22Å |
| 488 | G | 91 | Very high | 89.8 | Confident | 7 Ų | 7 | 18.5 Ų | 18.5 | 7% | 0.072 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.9 | -43.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L484 S485 G491 Y492 F578 | L484-G488 PolarHBondContact O-N 2.79Å; S485-G488 PolarHBondContact O-N 3.42Å; G488-G491 PolarHBondContact O-N 3.17Å; G488-Y492 PolarHBondContact O-N 3.05Å; G488-F578 WeakPolarHBondContact O-CE1 3.36Å |
| 489 | L | 92.7 | Very high | 89 | Confident | 21 Ų | 21 | 18.8 Ų | 18.8 | 11% | 0.11 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67 | -36.3 | 177.9 | -66.7 | -177.8 | 0 | 0 | 0 | 113 | S485 W486 Y492 N493 L513 V516 | S485-L489 VanDerWaalsContact O-CG 3.3Å; S485-L489 WeakPolarHBondContact O-CG 3.45Å; S485-L489 PolarHBondContact O-N 3.13Å; W486-L489 HydrophobicContact CD2-CD1 4.4Å; W486-L489 HydrophobicContact CE3-CB 4.27Å; W486-L489 HydrophobicContact CE3-CD1 4.05Å; W486-L489 HydrophobicContact CZ3-CD1 4.13Å; W486-L489 PolarHBondContact O-N 2.79Å; L489-Y492 PolarHBondContact O-N 3.37Å; L489-N493 WeakPolarHBondContact O-CB 3.37Å; L489-N493 PolarHBondContact O-N 3.11Å; L489-L513 HydrophobicContact CD1-CB 4.24Å; L489-L513 HydrophobicContact CD1-CD2 4.18Å; L489-L513 VanDerWaalsContact CD1-O 3.3Å; L489-L513 WeakPolarHBondContact CD1-O 3.34Å; L489-L513 HydrophobicContact CD2-CD2 3.72Å; L489-L513 HydrophobicContact CG-CD2 4.35Å; L489-V516 HydrophobicContact CD1-CB 4.48Å; L489-V516 HydrophobicContact CD1-CG1 4.48Å; L489-V516 HydrophobicContact CD2-CG1 4.28Å |
| 490 | E | 90 | Very high | 88 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.9 | -43.3 | 173.4 | -175.5 | 75.1 | 158.9 | 0 | 0 | 110.4 | V439 H440 L443 W486 Y492 N493 L494 L613 | V439-E490 HydrophobicContact CG1-CB 4.45Å; V439-E490 WeakPolarHBondContact CG1-OE2 3.21Å; H440-E490 IonicContact CE1-OE1 3.96Å; H440-E490 IonicContact CG-OE1 3.74Å; H440-E490 IonicContact ND1-OE1 2.9Å; H440-E490 PolarHBondContact ND1-OE1 3.43Å; L443-E490 HydrophobicContact CD2-CB 4.07Å; L443-E490 HydrophobicContact CD2-CG 4.05Å; W486-E490 VanDerWaalsContact O-CB 3.32Å; W486-E490 WeakPolarHBondContact O-CB 3.22Å; W486-E490 PolarHBondContact O-N 2.89Å; E490-Y492 VanDerWaalsContact C-N 3.33Å; E490-Y492 PolarHBondContact O-N 2.92Å; E490-N493 WeakPolarHBondContact O-CB 3.49Å; E490-N493 PolarHBondContact O-N 3.07Å; E490-N493 VanDerWaalsContact O-N 3.13Å; E490-L494 WeakPolarHBondContact O-CG 3.28Å; E490-L494 PolarHBondContact O-N 3.36Å; E490-L613 HydrophobicContact CB-CD1 4.18Å; E490-L613 HydrophobicContact CG-CD1 3.83Å |
| 491 | G | 89.3 | Confident | 86.7 | Confident | 4 Ų | 4 | 25.7 Ų | 25.7 | 4% | 0.041 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.8 | -41 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | M487 G488 L494 Y495 N579 | M487-G491 PolarHBondContact O-N 3.17Å; G488-G491 PolarHBondContact O-N 3.17Å; G491-L494 PolarHBondContact O-N 2.99Å; G491-Y495 PolarHBondContact O-N 3.4Å; G491-Y495 VanDerWaalsContact O-N 3.08Å; G491-N579 WeakPolarHBondContact CA-OD1 3.37Å |
| 492 | Y | 89.6 | Confident | 84.7 | Confident | 72 Ų | 72 | 35 Ų | 35 | 28% | 0.282 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64.3 | -41.7 | 171.9 | 177.5 | -113.8 | 0 | 0 | 0 | 112.6 | G488 L489 E490 Y495 R496 Y509 F578 M582 | G488-Y492 PolarHBondContact O-N 3.05Å; L489-Y492 PolarHBondContact O-N 3.37Å; E490-Y492 VanDerWaalsContact C-N 3.33Å; E490-Y492 PolarHBondContact O-N 2.92Å; Y492-Y495 HydrophobicContact CD2-CD1 4.48Å; Y492-Y495 HydrophobicContact CE2-CD1 4.49Å; Y492-Y495 WeakPolarHBondContact O-CB 3.48Å; Y492-Y495 PolarHBondContact O-N 3Å; Y492-R496 HydrophobicContact CE1-CG 4.17Å; Y492-R496 HydrophobicContact CE2-CG 4.08Å; Y492-R496 PolarHBondContact O-N 3.03Å; Y492-Y509 HydrophobicContact CE1-CE2 4.42Å; Y492-F578 HydrophobicContact CD2-CZ 4.25Å; Y492-F578 HydrophobicContact CG-CZ 4.49Å; Y492-M582 HydrophobicContact CD2-CE 4.03Å |
| 493 | N | 88.2 | Confident | 82.8 | Confident | 8 Ų | 8 | 38.6 Ų | 38.6 | 4% | 0.043 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.3 | -41.1 | 177.2 | 179.3 | 69.3 | 0 | 0 | 0 | 111.8 | T436 V439 L489 E490 R496 L497 | T436-N493 WeakPolarHBondContact CA-ND2 3.32Å; T436-N493 PolarHBondContact OG1-ND2 2.92Å; V439-N493 HydrophobicContact CG1-CB 4.32Å; L489-N493 WeakPolarHBondContact O-CB 3.37Å; L489-N493 PolarHBondContact O-N 3.11Å; E490-N493 WeakPolarHBondContact O-CB 3.49Å; E490-N493 PolarHBondContact O-N 3.07Å; E490-N493 VanDerWaalsContact O-N 3.13Å; N493-R496 PolarHBondContact O-N 3.41Å; N493-L497 PolarHBondContact O-N 3.41Å |
| 494 | L | 85.4 | Confident | 81.1 | Confident | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.2 | -42.8 | 174.2 | -70.2 | 174.8 | 0 | 0 | 0 | 112.1 | E490 G491 L497 V498 M586 L606 L609 L613 | E490-L494 WeakPolarHBondContact O-CG 3.28Å; E490-L494 PolarHBondContact O-N 3.36Å; G491-L494 PolarHBondContact O-N 2.99Å; L494-L497 WeakPolarHBondContact O-CB 3.37Å; L494-L497 PolarHBondContact O-N 3.22Å; L494-V498 PolarHBondContact O-N 3.06Å; L494-M586 HydrophobicContact CB-SD 4.41Å; L494-L606 HydrophobicContact CD2-CD2 3.72Å; L494-L609 HydrophobicContact CD1-CD2 3.99Å; L494-L609 HydrophobicContact CD1-CG 4.24Å; L494-L609 HydrophobicContact CD2-CD2 4.19Å; L494-L613 HydrophobicContact CD1-CD1 4.09Å |
| 495 | Y | 86 | Confident | 79.9 | Confident | 53 Ų | 53 | 50.3 Ų | 50.3 | 21% | 0.208 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.7 | -48.3 | 173.8 | 163.2 | -94.3 | 0 | 0 | 0 | 112.3 | G491 Y492 L497 V498 V499 M582 T585 | G491-Y495 PolarHBondContact O-N 3.4Å; G491-Y495 VanDerWaalsContact O-N 3.08Å; Y492-Y495 HydrophobicContact CD2-CD1 4.48Å; Y492-Y495 HydrophobicContact CE2-CD1 4.49Å; Y492-Y495 WeakPolarHBondContact O-CB 3.48Å; Y492-Y495 PolarHBondContact O-N 3Å; Y495-L497 VanDerWaalsContact C-N 3.26Å; Y495-L497 PolarHBondContact O-N 3.35Å; Y495-V498 PolarHBondContact O-N 3.03Å; Y495-V498 VanDerWaalsContact O-N 3.13Å; Y495-V499 HydrophobicContact CD2-CB 4.06Å; Y495-V499 HydrophobicContact CD2-CG2 3.56Å; Y495-V499 HydrophobicContact CE1-CB 4.38Å; Y495-V499 HydrophobicContact CE2-CB 3.74Å; Y495-V499 HydrophobicContact CE2-CG1 3.89Å; Y495-V499 HydrophobicContact CE2-CG2 3.5Å; Y495-V499 VanDerWaalsContact CE2-CG2 3.5Å; Y495-V499 HydrophobicContact CG-CG2 4.33Å; Y495-V499 WeakPolarHBondContact O-CB 3.21Å; Y495-V499 PolarHBondContact O-N 3.39Å; Y495-M582 HydrophobicContact CD1-CE 3.19Å; Y495-M582 HydrophobicContact CD2-CE 3.39Å; Y495-M582 HydrophobicContact CE1-CE 3.78Å; Y495-M582 HydrophobicContact CE2-CE 3.92Å; Y495-M582 HydrophobicContact CG-CE 2.98Å; Y495-T585 WeakPolarHBondContact CD2-OG1 3.31Å; Y495-T585 WeakPolarHBondContact CE2-OG1 3.46Å |
| 496 | R | 85.4 | Confident | 78.8 | Confident | 34 Ų | 34 | 51.5 Ų | 51.5 | 13% | 0.128 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.6 | -38.6 | 179.7 | -72.6 | -171 | 73.5 | -151.1 | 1.6 | 111.8 | Y492 N493 V498 E500 T504 Y509 | Y492-R496 HydrophobicContact CE1-CG 4.17Å; Y492-R496 HydrophobicContact CE2-CG 4.08Å; Y492-R496 PolarHBondContact O-N 3.03Å; N493-R496 PolarHBondContact O-N 3.41Å; R496-V498 PolarHBondContact O-N 2.93Å; R496-E500 HydrophobicContact CB-CB 4.49Å; R496-E500 IonicContact CZ-OE2 3.62Å; R496-E500 IonicContact NE-OE2 3.63Å; R496-E500 PolarHBondContact NE-OE2 2.91Å; R496-E500 IonicContact NH2-OE2 3.55Å; R496-E500 CarbonylContact O-C 3.11Å; R496-E500 WeakPolarHBondContact O-CA 3.15Å; R496-E500 WeakPolarHBondContact O-CB 3.48Å; R496-E500 PolarHBondContact O-N 3.43Å; R496-T504 PolarHBondContact NH2-O 2.79Å; R496-T504 VanDerWaalsContact NH2-O 3.11Å; R496-T504 PolarHBondContact NH2-OG1 2.93Å; R496-Y509 PolarHBondContact NH1-OH 2.85Å |
| 497 | L | 79.9 | Confident | 77.8 | Confident | 83 Ų | 83 | 55.5 Ų | 55.5 | 44% | 0.435 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.9 | -35.2 | 177.6 | -175.3 | 66.4 | 0 | 0 | 0 | 112.6 | N493 L494 Y495 L606 | N493-L497 PolarHBondContact O-N 3.41Å; L494-L497 WeakPolarHBondContact O-CB 3.37Å; L494-L497 PolarHBondContact O-N 3.22Å; Y495-L497 VanDerWaalsContact C-N 3.26Å; Y495-L497 PolarHBondContact O-N 3.35Å; L497-L606 HydrophobicContact CD2-CD2 4.27Å |
| 498 | V | 79 | Confident | 77.3 | Confident | 18 Ų | 18 | 57.4 Ų | 57.4 | 11% | 0.109 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -95.4 | -40.8 | -175.4 | 174.6 | 0 | 0 | 0 | 0 | 112.8 | L494 Y495 R496 V501 M586 I590 L606 | L494-V498 PolarHBondContact O-N 3.06Å; Y495-V498 PolarHBondContact O-N 3.03Å; Y495-V498 VanDerWaalsContact O-N 3.13Å; R496-V498 PolarHBondContact O-N 2.93Å; V498-V501 WeakPolarHBondContact O-CG2 3.46Å; V498-M586 HydrophobicContact CB-CG 3.87Å; V498-M586 HydrophobicContact CG1-CG 3.84Å; V498-M586 HydrophobicContact CG2-CG 3.84Å; V498-M586 HydrophobicContact CG2-SD 3.93Å; V498-I590 HydrophobicContact CG1-CD1 4.24Å; V498-I590 HydrophobicContact CG1-CG1 3.75Å; V498-L606 HydrophobicContact CG2-CD1 4.39Å |
| 499 | V | 78.3 | Confident | 77 | Confident | 42 Ų | 42 | 58 Ų | 58 | 26% | 0.255 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -95.5 | -39.1 | -171.2 | -177.1 | 0 | 0 | 0 | 0 | 111.8 | Y495 V501 Q589 | Y495-V499 HydrophobicContact CD2-CB 4.06Å; Y495-V499 HydrophobicContact CD2-CG2 3.56Å; Y495-V499 HydrophobicContact CE1-CB 4.38Å; Y495-V499 HydrophobicContact CE2-CB 3.74Å; Y495-V499 HydrophobicContact CE2-CG1 3.89Å; Y495-V499 HydrophobicContact CE2-CG2 3.5Å; Y495-V499 VanDerWaalsContact CE2-CG2 3.5Å; Y495-V499 HydrophobicContact CG-CG2 4.33Å; Y495-V499 WeakPolarHBondContact O-CB 3.21Å; Y495-V499 PolarHBondContact O-N 3.39Å; V499-V501 PolarHBondContact O-N 2.89Å; V499-Q589 HydrophobicContact CG2-CB 3.99Å; V499-Q589 HydrophobicContact CG2-CG 4.11Å |
| 500 | E | 74 | Confident | 76.6 | Confident | 70 Ų | 70 | 58.7 Ų | 58.7 | 33% | 0.327 | 32% | 0.32 | S | S | . | . | trans | -97.1 | 56 | -178.4 | -65.1 | -175.6 | -178.5 | 0 | 0 | 111.8 | R496 F502 T504 | R496-E500 HydrophobicContact CB-CB 4.49Å; R496-E500 IonicContact CZ-OE2 3.62Å; R496-E500 IonicContact NE-OE2 3.63Å; R496-E500 PolarHBondContact NE-OE2 2.91Å; R496-E500 IonicContact NH2-OE2 3.55Å; R496-E500 CarbonylContact O-C 3.11Å; R496-E500 WeakPolarHBondContact O-CA 3.15Å; R496-E500 WeakPolarHBondContact O-CB 3.48Å; R496-E500 PolarHBondContact O-N 3.43Å; E500-F502 PolarHBondContact O-N 2.81Å; E500-T504 PolarHBondContact OE2-OG1 3.49Å | ||
| 501 | V | 63.9 | Low | 76.6 | Confident | 101 Ų | 101 | 64.4 Ų | 64.4 | 61% | 0.612 | 35% | 0.35 | S | S | * | . | trans | -65 | -20.8 | -177.9 | -170.1 | 0 | 0 | 0 | 0 | 112.3 | V498 V499 | V498-V501 WeakPolarHBondContact O-CG2 3.46Å; V499-V501 PolarHBondContact O-N 2.89Å | ||
| 502 | F | 52.1 | Low | 76.6 | Confident | 197 Ų | 197 | 69.8 Ų | 69.8 | 86% | 0.864 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -101.2 | 84.4 | 179.6 | -62.9 | -75.7 | 0 | 0 | 0 | 112.6 | E500 T504 | E500-F502 PolarHBondContact O-N 2.81Å; F502-T504 PolarHBondContact O-N 2.83Å |
| 503 | G | 53 | Low | 76.7 | Confident | 74 Ų | 74 | 66.9 Ų | 66.9 | 76% | 0.763 | 36% | 0.362 | S | S | * | . | trans | 68.4 | 24.2 | 133.3 | 0 | 0 | 0 | 0 | 0 | 121 | Y505 | G503-Y505 VanDerWaalsContact C-N 3.34Å; G503-Y505 PolarHBondContact O-N 2.68Å | ||
| 504 | T | 56.7 | Low | 76.9 | Confident | 75 Ų | 75 | 68.1 Ų | 68.1 | 46% | 0.46 | 37% | 0.371 | S | S | . | . | trans | -78 | 83.2 | 170.4 | 53.9 | 0 | 0 | 0 | 0 | 110.9 | R496 E500 F502 V506 | R496-T504 PolarHBondContact NH2-O 2.79Å; R496-T504 VanDerWaalsContact NH2-O 3.11Å; R496-T504 PolarHBondContact NH2-OG1 2.93Å; E500-T504 PolarHBondContact OE2-OG1 3.49Å; F502-T504 PolarHBondContact O-N 2.83Å; T504-V506 PolarHBondContact O-N 3.09Å | ||
| 505 | Y | 65.8 | Low | 77.2 | Confident | 174 Ų | 174 | 73.2 Ų | 73.2 | 68% | 0.682 | 40% | 0.397 | S | S | * | . | trans | -66.4 | 106 | 167.7 | 178.6 | -99.1 | 0 | 0 | 0 | 109 | G503 P507 | G503-Y505 VanDerWaalsContact C-N 3.34Å; G503-Y505 PolarHBondContact O-N 2.68Å; Y505-P507 HydrophobicContact CE1-CB 4.06Å; Y505-P507 WeakPolarHBondContact O-CD 3.41Å | ||
| 506 | V | 70.1 | Confident | 77.6 | Confident | 45 Ų | 45 | 74.3 Ų | 74.3 | 27% | 0.273 | 41% | 0.409 | S | S | . | . | trans | -93.6 | 111.8 | 172.6 | -178.2 | 0 | 0 | 0 | 0 | 107.9 | T504 G508 Y509 K512 | T504-V506 PolarHBondContact O-N 3.09Å; V506-G508 PolarHBondContact O-N 3.01Å; V506-Y509 HydrophobicContact CB-CD2 4.39Å; V506-Y509 WeakPolarHBondContact O-CB 3.44Å; V506-Y509 PolarHBondContact O-N 2.83Å; V506-Y509 VanDerWaalsContact O-N 3.16Å; V506-K512 HydrophobicContact CG1-CD 4.21Å | ||
| 507 | P | 72.9 | Confident | 78 | Confident | 84 Ų | 84 | 72.7 Ų | 72.7 | 55% | 0.545 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 132.4 | 175.1 | 24.8 | -32.6 | 0 | 0 | 0 | 109.6 | Y505 Y509 | Y505-P507 HydrophobicContact CE1-CB 4.06Å; Y505-P507 WeakPolarHBondContact O-CD 3.41Å; P507-Y509 VanDerWaalsContact C-N 3.33Å; P507-Y509 PolarHBondContact O-N 2.82Å |
| 508 | G | 80.6 | Confident | 78.7 | Confident | 41 Ų | 41 | 71.5 Ų | 71.5 | 42% | 0.423 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 24.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | V506 L510 L511 K512 | V506-G508 PolarHBondContact O-N 3.01Å; G508-L510 VanDerWaalsContact C-N 3.35Å; G508-L510 PolarHBondContact O-N 3.44Å; G508-L511 WeakPolarHBondContact O-CB 3.45Å; G508-L511 PolarHBondContact O-N 3.28Å; G508-K512 PolarHBondContact O-N 2.85Å |
| 509 | Y | 85.2 | Confident | 79.4 | Confident | 20 Ų | 20 | 72.2 Ų | 72.2 | 8% | 0.078 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -46.9 | -52.2 | -178.6 | 179.9 | -121.1 | 0 | 0 | 0 | 113.6 | Y435 Y492 R496 V506 P507 L511 K512 L513 | Y435-Y509 HydrophobicContact CD1-CD1 4.15Å; Y435-Y509 HydrophobicContact CG-CD1 4.33Å; Y492-Y509 HydrophobicContact CE1-CE2 4.42Å; R496-Y509 PolarHBondContact NH1-OH 2.85Å; V506-Y509 HydrophobicContact CB-CD2 4.39Å; V506-Y509 WeakPolarHBondContact O-CB 3.44Å; V506-Y509 PolarHBondContact O-N 2.83Å; V506-Y509 VanDerWaalsContact O-N 3.16Å; P507-Y509 VanDerWaalsContact C-N 3.33Å; P507-Y509 PolarHBondContact O-N 2.82Å; Y509-L511 VanDerWaalsContact C-N 3.33Å; Y509-L511 PolarHBondContact O-N 3.35Å; Y509-K512 PolarHBondContact O-N 2.82Å; Y509-L513 HydrophobicContact CD1-CD1 4.12Å; Y509-L513 HydrophobicContact CD2-CG 4.32Å; Y509-L513 HydrophobicContact CE1-CD1 3.53Å; Y509-L513 HydrophobicContact CE1-CG 4.33Å; Y509-L513 HydrophobicContact CE2-CD1 3.96Å; Y509-L513 HydrophobicContact CE2-CD2 4.09Å; Y509-L513 HydrophobicContact CE2-CG 3.95Å; Y509-L513 VanDerWaalsContact CZ-CD1 3.44Å; Y509-L513 WeakPolarHBondContact O-CG 3.23Å; Y509-L513 PolarHBondContact O-N 2.97Å |
| 510 | L | 84.4 | Confident | 80.1 | Confident | 36 Ų | 36 | 74.1 Ų | 74.1 | 19% | 0.188 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -65.1 | -34.1 | 179 | -70.6 | 169.3 | 0 | 0 | 0 | 113.5 | Y435 K438 V439 G508 L513 S514 | Y435-L510 HydrophobicContact CD1-CD1 3.64Å; Y435-L510 HydrophobicContact CD1-CD2 4.06Å; Y435-L510 HydrophobicContact CD1-CG 3.6Å; Y435-L510 HydrophobicContact CE1-CD1 3.76Å; Y435-L510 HydrophobicContact CE1-CG 3.89Å; K438-L510 HydrophobicContact CB-CD1 4.09Å; K438-L510 HydrophobicContact CB-CD2 3.95Å; K438-L510 HydrophobicContact CD-CD1 3.37Å; K438-L510 HydrophobicContact CG-CD1 4.38Å; V439-L510 HydrophobicContact CG2-CD2 4.04Å; G508-L510 VanDerWaalsContact C-N 3.35Å; G508-L510 PolarHBondContact O-N 3.44Å; L510-L513 PolarHBondContact O-N 2.87Å; L510-S514 VanDerWaalsContact O-CB 3.27Å; L510-S514 WeakPolarHBondContact O-CB 3.46Å; L510-S514 PolarHBondContact O-N 3.43Å; L510-S514 PolarHBondContact O-OG 3.14Å |
| 511 | L | 88.3 | Confident | 81.1 | Confident | 119 Ų | 119 | 70.8 Ų | 70.8 | 62% | 0.623 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -66.6 | -45.1 | 177.5 | -179.4 | 64.4 | 0 | 0 | 0 | 109.8 | G508 Y509 L513 S514 I515 | G508-L511 WeakPolarHBondContact O-CB 3.45Å; G508-L511 PolarHBondContact O-N 3.28Å; Y509-L511 VanDerWaalsContact C-N 3.33Å; Y509-L511 PolarHBondContact O-N 3.35Å; L511-L513 PolarHBondContact O-N 2.95Å; L511-S514 PolarHBondContact O-N 3.36Å; L511-I515 HydrophobicContact CG-CD1 4.17Å; L511-I515 VanDerWaalsContact O-CG1 3.29Å; L511-I515 WeakPolarHBondContact O-CG1 3.37Å; L511-I515 PolarHBondContact O-N 3.34Å |
| 512 | K | 91 | Very high | 82.6 | Confident | 117 Ų | 117 | 69.5 Ų | 69.5 | 51% | 0.509 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.9 | -46.4 | 174.8 | -67 | 178.2 | -180 | -179.9 | 0 | 111.3 | V506 G508 Y509 S514 I515 V516 | V506-K512 HydrophobicContact CG1-CD 4.21Å; G508-K512 PolarHBondContact O-N 2.85Å; Y509-K512 PolarHBondContact O-N 2.82Å; K512-S514 VanDerWaalsContact C-N 3.33Å; K512-S514 PolarHBondContact O-N 3.26Å; K512-I515 PolarHBondContact O-N 3.49Å; K512-V516 WeakPolarHBondContact O-CG2 3.43Å; K512-V516 PolarHBondContact O-N 2.93Å; K512-V516 VanDerWaalsContact O-N 3.16Å |
| 513 | L | 91.6 | Very high | 84.6 | Confident | 12 Ų | 12 | 66.3 Ų | 66.3 | 6% | 0.063 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61 | -40.9 | 174.9 | -71.4 | -171.7 | 0 | 0 | 0 | 112.3 | V439 W486 L489 Y509 L510 L511 V516 G517 | V439-L513 HydrophobicContact CG2-CD1 3.67Å; W486-L513 HydrophobicContact CH2-CB 4.38Å; L489-L513 HydrophobicContact CD1-CB 4.24Å; L489-L513 HydrophobicContact CD1-CD2 4.18Å; L489-L513 VanDerWaalsContact CD1-O 3.3Å; L489-L513 WeakPolarHBondContact CD1-O 3.34Å; L489-L513 HydrophobicContact CD2-CD2 3.72Å; L489-L513 HydrophobicContact CG-CD2 4.35Å; Y509-L513 HydrophobicContact CD1-CD1 4.12Å; Y509-L513 HydrophobicContact CD2-CG 4.32Å; Y509-L513 HydrophobicContact CE1-CD1 3.53Å; Y509-L513 HydrophobicContact CE1-CG 4.33Å; Y509-L513 HydrophobicContact CE2-CD1 3.96Å; Y509-L513 HydrophobicContact CE2-CD2 4.09Å; Y509-L513 HydrophobicContact CE2-CG 3.95Å; Y509-L513 VanDerWaalsContact CZ-CD1 3.44Å; Y509-L513 WeakPolarHBondContact O-CG 3.23Å; Y509-L513 PolarHBondContact O-N 2.97Å; L510-L513 PolarHBondContact O-N 2.87Å; L511-L513 PolarHBondContact O-N 2.95Å; L513-V516 PolarHBondContact O-N 3.11Å; L513-G517 PolarHBondContact O-N 3.38Å |
| 514 | S | 91.4 | Very high | 86.5 | Confident | 33 Ų | 33 | 64.1 Ų | 64.1 | 23% | 0.231 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.5 | -37.2 | -179.7 | -58.1 | 0 | 0 | 0 | 0 | 112 | L510 L511 K512 V516 W518 | L510-S514 VanDerWaalsContact O-CB 3.27Å; L510-S514 WeakPolarHBondContact O-CB 3.46Å; L510-S514 PolarHBondContact O-N 3.43Å; L510-S514 PolarHBondContact O-OG 3.14Å; L511-S514 PolarHBondContact O-N 3.36Å; K512-S514 VanDerWaalsContact C-N 3.33Å; K512-S514 PolarHBondContact O-N 3.26Å; S514-V516 VanDerWaalsContact C-N 3.31Å; S514-V516 PolarHBondContact O-N 3.09Å; S514-W518 WeakPolarHBondContact O-CB 3.35Å; S514-W518 PolarHBondContact O-N 3.15Å |
| 515 | I | 92.7 | Very high | 88.2 | Confident | 109 Ų | 109 | 61.2 Ų | 61.2 | 56% | 0.559 | 32% | 0.324 | S | S | * | . | I | π-helix | trans | -61 | -42.9 | 173.6 | -69.5 | 164.1 | 0 | 0 | 0 | 110.4 | L511 K512 G519 | L511-I515 HydrophobicContact CG-CD1 4.17Å; L511-I515 VanDerWaalsContact O-CG1 3.29Å; L511-I515 WeakPolarHBondContact O-CG1 3.37Å; L511-I515 PolarHBondContact O-N 3.34Å; K512-I515 PolarHBondContact O-N 3.49Å; I515-G519 WeakPolarHBondContact O-CA 3.27Å; I515-G519 PolarHBondContact O-N 3.47Å |
| 516 | V | 93.2 | Very high | 89.4 | Confident | 77 Ų | 77 | 56.2 Ų | 56.2 | 47% | 0.467 | 31% | 0.312 | S | S | . | . | I | π-helix | trans | -71 | -51.7 | 177.2 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | L489 K512 L513 S514 W518 F520 | L489-V516 HydrophobicContact CD1-CB 4.48Å; L489-V516 HydrophobicContact CD1-CG1 4.48Å; L489-V516 HydrophobicContact CD2-CG1 4.28Å; K512-V516 WeakPolarHBondContact O-CG2 3.43Å; K512-V516 PolarHBondContact O-N 2.93Å; K512-V516 VanDerWaalsContact O-N 3.16Å; L513-V516 PolarHBondContact O-N 3.11Å; S514-V516 VanDerWaalsContact C-N 3.31Å; S514-V516 PolarHBondContact O-N 3.09Å; V516-W518 PolarHBondContact O-N 2.91Å; V516-F520 VanDerWaalsContact O-CB 3.25Å; V516-F520 WeakPolarHBondContact O-CB 3.34Å; V516-F520 PolarHBondContact O-N 3.34Å |
| 517 | G | 93.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.32 | C | S | . | . | I | π-helix | trans | -65.9 | -32.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L513 P521 | L513-G517 PolarHBondContact O-N 3.38Å; G517-P521 WeakPolarHBondContact O-CG 3.38Å |
| 518 | W | 95.7 | Very high | 91.2 | Very high | 57 Ų | 57 | 54.7 Ų | 54.7 | 22% | 0.216 | 30% | 0.298 | C | S | . | . | I | π-helix | trans | -108.1 | -39.2 | 178.9 | -63.6 | 110.7 | 0 | 0 | 0 | 113.2 | N442 A446 L449 F478 A482 W486 S514 V516 P521 V522 | N442-W518 PolarHBondContact OD1-NE1 2.92Å; A446-W518 HydrophobicContact CB-CH2 3.91Å; A446-W518 HydrophobicContact CB-CZ3 4.42Å; L449-W518 HydrophobicContact CD1-CH2 3.74Å; L449-W518 HydrophobicContact CD1-CZ3 3.74Å; F478-W518 HydrophobicContact CE1-CZ3 4.38Å; F478-W518 HydrophobicContact CE2-CE3 4.32Å; F478-W518 AromaticContact CZ-CE3 3.7Å; F478-W518 HydrophobicContact CZ-CE3 3.7Å; F478-W518 AromaticContact CZ-CZ3 3.93Å; F478-W518 HydrophobicContact CZ-CZ3 3.93Å; A482-W518 HydrophobicContact CB-CE3 3.92Å; A482-W518 HydrophobicContact CB-CZ3 3.79Å; W486-W518 AromaticContact CE2-CD1 3.96Å; W486-W518 AromaticContact CE2-CE2 3.95Å; W486-W518 AromaticContact CE2-NE1 3.55Å; W486-W518 AromaticContact CZ2-CD1 3.56Å; W486-W518 HydrophobicContact CZ2-CG 4.49Å; W486-W518 AromaticContact CZ2-NE1 3.31Å; W486-W518 VanDerWaalsContact CZ2-NE1 3.31Å; W486-W518 AromaticContact NE1-CD1 3.71Å; W486-W518 AromaticContact NE1-CD2 3.61Å; W486-W518 AromaticContact NE1-CE2 3.22Å; W486-W518 AromaticContact NE1-CG 3.92Å; W486-W518 AromaticContact NE1-CZ2 3.61Å; W486-W518 AromaticContact NE1-NE1 3.29Å; S514-W518 WeakPolarHBondContact O-CB 3.35Å; S514-W518 PolarHBondContact O-N 3.15Å; V516-W518 PolarHBondContact O-N 2.91Å; W518-P521 WeakPolarHBondContact O-CD 3.33Å; W518-V522 WeakPolarHBondContact O-CG2 3.3Å; W518-V522 PolarHBondContact O-N 3.22Å |
| 519 | G | 94 | Very high | 91.6 | Very high | 33 Ų | 33 | 54 Ų | 54 | 34% | 0.34 | 29% | 0.288 | S | S | . | . | I | π-helix | trans | -71.9 | -39 | -175 | 0 | 0 | 0 | 0 | 0 | 113.7 | I515 V522 F523 | I515-G519 WeakPolarHBondContact O-CA 3.27Å; I515-G519 PolarHBondContact O-N 3.47Å; G519-V522 PolarHBondContact O-N 2.96Å; G519-F523 WeakPolarHBondContact O-CB 3.49Å; G519-F523 PolarHBondContact O-N 3.31Å |
| 520 | F | 92.8 | Very high | 91.8 | Very high | 82 Ų | 82 | 59.5 Ų | 59.5 | 36% | 0.36 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.2 | -47.4 | 176.9 | 173.3 | -103.1 | 0 | 0 | 0 | 112.8 | V516 V522 F523 L524 L571 | V516-F520 VanDerWaalsContact O-CB 3.25Å; V516-F520 WeakPolarHBondContact O-CB 3.34Å; V516-F520 PolarHBondContact O-N 3.34Å; F520-V522 PolarHBondContact O-N 3.45Å; F520-F523 PolarHBondContact O-N 2.97Å; F520-L524 HydrophobicContact CD1-CD1 4.16Å; F520-L524 HydrophobicContact CE1-CD1 3.5Å; F520-L524 VanDerWaalsContact CE1-CD1 3.5Å; F520-L524 HydrophobicContact CE1-CG 4.43Å; F520-L524 HydrophobicContact CE2-CD1 3.9Å; F520-L524 HydrophobicContact CE2-CD2 4.45Å; F520-L524 HydrophobicContact CE2-CG 4.12Å; F520-L524 HydrophobicContact CZ-CD1 3.37Å; F520-L524 HydrophobicContact CZ-CG 4.1Å; F520-L524 PolarHBondContact O-N 2.74Å; F520-L524 VanDerWaalsContact O-N 3.07Å; F520-L571 HydrophobicContact CE1-CD1 4Å; F520-L571 HydrophobicContact CE1-CD2 3.88Å; F520-L571 HydrophobicContact CZ-CD1 4.32Å; F520-L571 HydrophobicContact CZ-CD2 3.78Å |
| 521 | P | 94.2 | Very high | 92 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -55 | -46.5 | 170.7 | -28.2 | 33.1 | 0 | 0 | 0 | 114.2 | F478 L481 A482 G517 W518 F523 L524 V525 | F478-P521 HydrophobicContact CD2-CB 3.72Å; F478-P521 HydrophobicContact CE2-CB 3.87Å; L481-P521 HydrophobicContact CB-CB 3.8Å; L481-P521 HydrophobicContact CB-CG 4.17Å; A482-P521 VanDerWaalsContact CA-CG 3.45Å; A482-P521 HydrophobicContact CB-CB 4.2Å; A482-P521 HydrophobicContact CB-CG 3.94Å; G517-P521 WeakPolarHBondContact O-CG 3.38Å; W518-P521 WeakPolarHBondContact O-CD 3.33Å; P521-F523 VanDerWaalsContact C-N 3.32Å; P521-F523 PolarHBondContact O-N 2.91Å; P521-L524 PolarHBondContact O-N 3.28Å; P521-V525 WeakPolarHBondContact O-CG2 3.4Å; P521-V525 PolarHBondContact O-N 3.38Å |
| 522 | V | 95.1 | Very high | 91.8 | Very high | 74 Ų | 74 | 60.6 Ų | 60.6 | 45% | 0.448 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.4 | -45.9 | 178.7 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | F478 W518 G519 F520 L524 T526 | F478-V522 HydrophobicContact CD2-CG2 4Å; F478-V522 HydrophobicContact CE2-CG2 3.53Å; F478-V522 HydrophobicContact CZ-CG2 4.33Å; W518-V522 WeakPolarHBondContact O-CG2 3.3Å; W518-V522 PolarHBondContact O-N 3.22Å; G519-V522 PolarHBondContact O-N 2.96Å; F520-V522 PolarHBondContact O-N 3.45Å; V522-L524 PolarHBondContact O-N 3.36Å; V522-T526 VanDerWaalsContact O-CB 3.29Å; V522-T526 WeakPolarHBondContact O-CB 3.42Å; V522-T526 PolarHBondContact O-N 3.44Å; V522-T526 PolarHBondContact O-OG1 3.29Å |
| 523 | F | 94.3 | Very high | 91.4 | Very high | 130 Ų | 130 | 57.9 Ų | 57.9 | 57% | 0.57 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -59 | -47.9 | 179 | 172.7 | -101.7 | 0 | 0 | 0 | 111.8 | G519 F520 P521 T526 L527 | G519-F523 WeakPolarHBondContact O-CB 3.49Å; G519-F523 PolarHBondContact O-N 3.31Å; F520-F523 PolarHBondContact O-N 2.97Å; P521-F523 VanDerWaalsContact C-N 3.32Å; P521-F523 PolarHBondContact O-N 2.91Å; F523-T526 PolarHBondContact O-N 2.91Å; F523-L527 HydrophobicContact CE1-CD2 4.47Å; F523-L527 WeakPolarHBondContact O-CB 3.35Å; F523-L527 PolarHBondContact O-N 3.42Å |
| 524 | L | 92.3 | Very high | 90.9 | Very high | 29 Ų | 29 | 61 Ų | 61 | 15% | 0.152 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.4 | -45.8 | -178.6 | -74.3 | -178.5 | 0 | 0 | 0 | 113.2 | L481 F520 P521 V522 T526 L527 V528 L571 | L481-L524 HydrophobicContact CD1-CB 3.9Å; L481-L524 HydrophobicContact CD1-CD1 4.01Å; F520-L524 HydrophobicContact CD1-CD1 4.16Å; F520-L524 HydrophobicContact CE1-CD1 3.5Å; F520-L524 VanDerWaalsContact CE1-CD1 3.5Å; F520-L524 HydrophobicContact CE1-CG 4.43Å; F520-L524 HydrophobicContact CE2-CD1 3.9Å; F520-L524 HydrophobicContact CE2-CD2 4.45Å; F520-L524 HydrophobicContact CE2-CG 4.12Å; F520-L524 HydrophobicContact CZ-CD1 3.37Å; F520-L524 HydrophobicContact CZ-CG 4.1Å; F520-L524 PolarHBondContact O-N 2.74Å; F520-L524 VanDerWaalsContact O-N 3.07Å; P521-L524 PolarHBondContact O-N 3.28Å; V522-L524 PolarHBondContact O-N 3.36Å; L524-T526 VanDerWaalsContact C-N 3.3Å; L524-T526 PolarHBondContact O-N 3.17Å; L524-L527 PolarHBondContact O-N 2.94Å; L524-V528 WeakPolarHBondContact O-CG2 3.47Å; L524-V528 PolarHBondContact O-N 2.86Å; L524-L571 HydrophobicContact CD1-CD1 3.46Å; L524-L571 VanDerWaalsContact CD1-CD1 3.46Å |
| 525 | V | 92.5 | Very high | 90.4 | Very high | 13 Ų | 13 | 60.4 Ų | 60.4 | 8% | 0.079 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 178 | 177 | 0 | 0 | 0 | 0 | 110.8 | M474 H477 F478 L481 P521 L527 V528 A529 | M474-V525 HydrophobicContact CB-CG1 4.12Å; M474-V525 HydrophobicContact CG-CG1 4.42Å; H477-V525 HydrophobicContact CB-CG2 4.36Å; F478-V525 HydrophobicContact CB-CG2 3.96Å; L481-V525 HydrophobicContact CD1-CG2 4.08Å; P521-V525 WeakPolarHBondContact O-CG2 3.4Å; P521-V525 PolarHBondContact O-N 3.38Å; V525-L527 VanDerWaalsContact C-N 3.35Å; V525-L527 PolarHBondContact O-N 2.95Å; V525-V528 PolarHBondContact O-N 2.95Å; V525-A529 WeakPolarHBondContact O-CB 3.11Å; V525-A529 PolarHBondContact O-N 3.39Å |
| 526 | T | 91.9 | Very high | 89.9 | Confident | 70 Ų | 70 | 55.3 Ų | 55.3 | 43% | 0.429 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 176.4 | -54.6 | 0 | 0 | 0 | 0 | 111 | V522 F523 L524 A529 L530 | V522-T526 VanDerWaalsContact O-CB 3.29Å; V522-T526 WeakPolarHBondContact O-CB 3.42Å; V522-T526 PolarHBondContact O-N 3.44Å; V522-T526 PolarHBondContact O-OG1 3.29Å; F523-T526 PolarHBondContact O-N 2.91Å; L524-T526 VanDerWaalsContact C-N 3.3Å; L524-T526 PolarHBondContact O-N 3.17Å; T526-A529 PolarHBondContact O-N 3.31Å; T526-L530 HydrophobicContact CG2-CD1 3.94Å; T526-L530 HydrophobicContact CG2-CG 4.23Å; T526-L530 WeakPolarHBondContact O-CB 3.11Å; T526-L530 WeakPolarHBondContact O-CG 3.31Å; T526-L530 PolarHBondContact O-N 2.6Å |
| 527 | L | 92.1 | Very high | 89.2 | Confident | 82 Ų | 82 | 51.7 Ų | 51.7 | 43% | 0.429 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.4 | -47.2 | 177.1 | -177.9 | 66 | 0 | 0 | 0 | 111.9 | F523 L524 V525 A529 L530 V531 | F523-L527 HydrophobicContact CE1-CD2 4.47Å; F523-L527 WeakPolarHBondContact O-CB 3.35Å; F523-L527 PolarHBondContact O-N 3.42Å; L524-L527 PolarHBondContact O-N 2.94Å; V525-L527 VanDerWaalsContact C-N 3.35Å; V525-L527 PolarHBondContact O-N 2.95Å; L527-A529 VanDerWaalsContact C-N 3.34Å; L527-A529 PolarHBondContact O-N 3.36Å; L527-L530 PolarHBondContact O-N 2.93Å; L527-V531 WeakPolarHBondContact O-CG2 2.78Å; L527-V531 PolarHBondContact O-N 3.45Å |
| 528 | V | 89.2 | Confident | 88.1 | Confident | 15 Ų | 15 | 54.8 Ų | 54.8 | 9% | 0.091 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63 | -42.5 | 178.2 | 176.1 | 0 | 0 | 0 | 0 | 111.2 | L524 V525 L530 V531 D532 N535 Y536 V563 T567 | L524-V528 WeakPolarHBondContact O-CG2 3.47Å; L524-V528 PolarHBondContact O-N 2.86Å; V525-V528 PolarHBondContact O-N 2.95Å; V528-L530 VanDerWaalsContact C-N 3.34Å; V528-L530 PolarHBondContact O-N 3.01Å; V528-V531 PolarHBondContact O-N 3.47Å; V528-D532 PolarHBondContact O-N 3.09Å; V528-N535 HydrophobicContact CG1-CB 4.41Å; V528-Y536 HydrophobicContact CB-CE2 4.38Å; V528-Y536 WeakPolarHBondContact CB-OH 3.43Å; V528-Y536 HydrophobicContact CG1-CE2 3.82Å; V528-Y536 WeakPolarHBondContact CG1-OH 3.42Å; V528-V563 HydrophobicContact CG1-CG1 3.66Å; V528-V563 HydrophobicContact CG2-CG1 4.26Å; V528-T567 HydrophobicContact CG2-CG2 3.86Å |
| 529 | A | 88.5 | Confident | 86.7 | Confident | 25 Ų | 25 | 54.2 Ų | 54.2 | 21% | 0.207 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.1 | -32.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | M474 V525 T526 L527 D532 V533 Y536 | M474-A529 HydrophobicContact CE-CB 4.18Å; V525-A529 WeakPolarHBondContact O-CB 3.11Å; V525-A529 PolarHBondContact O-N 3.39Å; T526-A529 PolarHBondContact O-N 3.31Å; L527-A529 VanDerWaalsContact C-N 3.34Å; L527-A529 PolarHBondContact O-N 3.36Å; A529-D532 CarbonylContact O-C 3.58Å; A529-V533 PolarHBondContact O-N 2.8Å; A529-Y536 HydrophobicContact CB-CE2 4.09Å |
| 530 | L | 89.8 | Confident | 85.1 | Confident | 137 Ų | 137 | 58.5 Ų | 58.5 | 72% | 0.717 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -73 | -36.2 | 176.8 | -77.9 | 173 | 0 | 0 | 0 | 112.9 | T526 L527 V528 | T526-L530 HydrophobicContact CG2-CD1 3.94Å; T526-L530 HydrophobicContact CG2-CG 4.23Å; T526-L530 WeakPolarHBondContact O-CB 3.11Å; T526-L530 WeakPolarHBondContact O-CG 3.31Å; T526-L530 PolarHBondContact O-N 2.6Å; L527-L530 PolarHBondContact O-N 2.93Å; V528-L530 VanDerWaalsContact C-N 3.34Å; V528-L530 PolarHBondContact O-N 3.01Å |
| 531 | V | 87.5 | Confident | 83.3 | Confident | 113 Ų | 113 | 56.6 Ų | 56.6 | 69% | 0.685 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -67 | -51.3 | 177.5 | 171.5 | 0 | 0 | 0 | 0 | 110.1 | L527 V528 | L527-V531 WeakPolarHBondContact O-CG2 2.78Å; L527-V531 PolarHBondContact O-N 3.45Å; V528-V531 PolarHBondContact O-N 3.47Å |
| 532 | D | 84.5 | Confident | 80.8 | Confident | 65 Ų | 65 | 60 Ų | 60 | 35% | 0.348 | 34% | 0.341 | S | S | . | . | trans | -159.3 | 115.7 | 170 | -171.2 | -4.8 | 0 | 0 | 0 | 110.4 | V528 A529 N534 N535 | V528-D532 PolarHBondContact O-N 3.09Å; A529-D532 CarbonylContact O-C 3.58Å; D532-N534 PolarHBondContact O-N 2.89Å; D532-N534 WeakPolarHBondContact OD1-CB 3.29Å; D532-N534 PolarHBondContact OD1-N 2.81Å; D532-N534 PolarHBondContact OD1-ND2 3.1Å; D532-N535 VanDerWaalsContact O-CB 3.27Å; D532-N535 WeakPolarHBondContact O-CB 3.46Å; D532-N535 PolarHBondContact O-N 2.92Å; D532-N535 PolarHBondContact O-ND2 2.96Å | ||
| 533 | V | 82.2 | Confident | 78.5 | Confident | 59 Ų | 59 | 57.5 Ų | 57.5 | 36% | 0.358 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -65.9 | -22.4 | 177.1 | 77.9 | 0 | 0 | 0 | 0 | 112.1 | M474 A529 N535 Y536 | M474-V533 HydrophobicContact CE-CG2 3.45Å; M474-V533 VanDerWaalsContact CE-CG2 3.45Å; A529-V533 PolarHBondContact O-N 2.8Å; V533-N535 PolarHBondContact O-N 3.3Å; V533-Y536 PolarHBondContact O-N 3.25Å; V533-Y536 VanDerWaalsContact O-N 3.15Å |
| 534 | N | 81.1 | Confident | 75.9 | Confident | 79 Ų | 79 | 59.9 Ų | 59.9 | 42% | 0.422 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -73 | -9.8 | 178.4 | -57.2 | -59.8 | 0 | 0 | 0 | 112.8 | D532 Y536 R559 | D532-N534 PolarHBondContact O-N 2.89Å; D532-N534 WeakPolarHBondContact OD1-CB 3.29Å; D532-N534 PolarHBondContact OD1-N 2.81Å; D532-N534 PolarHBondContact OD1-ND2 3.1Å; N534-Y536 PolarHBondContact O-N 2.79Å; N534-R559 WeakPolarHBondContact O-CD 3.48Å |
| 535 | N | 80.9 | Confident | 73.2 | Confident | 20 Ų | 20 | 69.7 Ų | 69.7 | 11% | 0.107 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -59.3 | -25.1 | 166.9 | -72.4 | -39.1 | 0 | 0 | 0 | 111.7 | V528 D532 V533 I558 R559 | V528-N535 HydrophobicContact CG1-CB 4.41Å; D532-N535 VanDerWaalsContact O-CB 3.27Å; D532-N535 WeakPolarHBondContact O-CB 3.46Å; D532-N535 PolarHBondContact O-N 2.92Å; D532-N535 PolarHBondContact O-ND2 2.96Å; V533-N535 PolarHBondContact O-N 3.3Å; N535-I558 CarbonylContact O-C 3.05Å; N535-I558 VanDerWaalsContact O-CA 3.27Å; N535-I558 WeakPolarHBondContact O-CA 3.4Å; N535-R559 PolarHBondContact O-N 2.62Å |
| 536 | Y | 83.8 | Confident | 70.7 | Confident | 1 Ų | 1 | 72.3 Ų | 72.3 | 0% | 0.004 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 136.1 | 175 | -62 | -74.1 | 0 | 0 | 0 | 111 | R470 A473 M474 H477 V528 A529 V533 N534 I558 | R470-Y536 WeakPolarHBondContact CG-O 3.42Å; A473-Y536 HydrophobicContact CB-CD1 3.86Å; A473-Y536 HydrophobicContact CB-CG 4.4Å; M474-Y536 HydrophobicContact CE-CD2 3.75Å; M474-Y536 HydrophobicContact CE-CE2 4.36Å; M474-Y536 HydrophobicContact CE-CG 4.34Å; M474-Y536 HydrophobicContact CG-CD1 4.26Å; M474-Y536 HydrophobicContact CG-CD2 3.84Å; M474-Y536 HydrophobicContact CG-CE1 4.39Å; M474-Y536 HydrophobicContact CG-CE2 3.97Å; M474-Y536 HydrophobicContact CG-CG 3.99Å; H477-Y536 HydrophobicContact CB-CE1 4.24Å; H477-Y536 AromaticContact ND1-CE1 3.86Å; H477-Y536 AromaticContact ND1-CZ 3.83Å; H477-Y536 PolarHBondContact ND1-OH 2.8Å; V528-Y536 HydrophobicContact CB-CE2 4.38Å; V528-Y536 WeakPolarHBondContact CB-OH 3.43Å; V528-Y536 HydrophobicContact CG1-CE2 3.82Å; V528-Y536 WeakPolarHBondContact CG1-OH 3.42Å; A529-Y536 HydrophobicContact CB-CE2 4.09Å; V533-Y536 PolarHBondContact O-N 3.25Å; V533-Y536 VanDerWaalsContact O-N 3.15Å; N534-Y536 PolarHBondContact O-N 2.79Å; Y536-I558 HydrophobicContact CD1-CG1 4Å; Y536-I558 HydrophobicContact CE1-CD1 4.31Å; Y536-I558 HydrophobicContact CE1-CG1 3.64Å |
| 537 | G | 77.2 | Confident | 68.5 | Low | 1 Ų | 1 | 75.6 Ų | 75.6 | 1% | 0.01 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.9 | -173.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | I539 W557 | G537-I539 PolarHBondContact O-N 3.32Å; G537-W557 PolarHBondContact N-O 2.64Å; G537-W557 PolarHBondContact O-N 3.11Å |
| 538 | P | 71.5 | Confident | 66.3 | Low | 65 Ų | 65 | 80.4 Ų | 80.4 | 42% | 0.422 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 128.5 | 178.8 | 28.4 | -32.5 | 0 | 0 | 0 | 110.6 | ||
| 539 | I | 66.5 | Low | 63.7 | Low | 46 Ų | 46 | 89.6 Ų | 89.6 | 24% | 0.236 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 123.9 | 167.7 | -55.3 | -169.8 | 0 | 0 | 0 | 107.4 | G537 L541 S554 M555 W557 I558 | G537-I539 PolarHBondContact O-N 3.32Å; I539-L541 PolarHBondContact O-N 3.21Å; I539-S554 WeakPolarHBondContact O-CA 3.32Å; I539-M555 HydrophobicContact CB-CG 4.36Å; I539-M555 HydrophobicContact CD1-CE 4.28Å; I539-M555 PolarHBondContact N-O 2.98Å; I539-M555 PolarHBondContact O-N 3.22Å; I539-W557 HydrophobicContact CD1-CB 3.61Å; I539-W557 HydrophobicContact CD1-CG 4.11Å; I539-W557 HydrophobicContact CG1-CB 4.15Å; I539-I558 WeakPolarHBondContact CD1-O 3.44Å |
| 540 | I | 59.6 | Low | 61.2 | Low | 122 Ų | 122 | 92.3 Ų | 92.3 | 63% | 0.626 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 108 | 175.4 | -56.7 | 173.1 | 0 | 0 | 0 | 107.4 | A542 Y552 | I540-A542 PolarHBondContact O-N 2.84Å; I540-Y552 HydrophobicContact CG2-CD1 4.22Å |
| 541 | L | 54.6 | Low | 58.8 | Low | 43 Ų | 43 | 90.6 Ų | 90.6 | 23% | 0.225 | 47% | 0.467 | C | S | . | . | trans | -84 | 100.7 | 167.3 | -60 | 161 | 0 | 0 | 0 | 106.6 | I539 V543 P553 M555 | I539-L541 PolarHBondContact O-N 3.21Å; L541-V543 PolarHBondContact O-N 2.67Å; L541-P553 HydrophobicContact CB-CG 4.22Å; L541-P553 VanDerWaalsContact CB-O 3.31Å; L541-P553 WeakPolarHBondContact CB-O 3.43Å; L541-P553 PolarHBondContact N-O 3.24Å; L541-P553 VanDerWaalsContact N-O 3.13Å; L541-P553 WeakPolarHBondContact O-CD 3.44Å; L541-P553 WeakPolarHBondContact O-CG 3.23Å; L541-M555 HydrophobicContact CD1-CB 4.33Å; L541-M555 HydrophobicContact CD1-CE 4.42Å; L541-M555 HydrophobicContact CD1-CG 3.86Å; L541-M555 HydrophobicContact CD1-SD 3.84Å; L541-M555 HydrophobicContact CD2-CE 4.28Å; L541-M555 HydrophobicContact CG-CG 4.36Å | ||
| 542 | A | 42.4 | Very low | 56.7 | Low | 71 Ų | 71 | 91.7 Ų | 91.7 | 59% | 0.587 | 46% | 0.459 | S | S | * | . | trans | -68.3 | 102.3 | 179 | 0 | 0 | 0 | 0 | 0 | 110.2 | I540 | I540-A542 PolarHBondContact O-N 2.84Š| ||
| 543 | V | 46.9 | Very low | 55.1 | Low | 22 Ų | 22 | 89.9 Ų | 89.9 | 13% | 0.133 | 45% | 0.452 | C | S | . | . | trans | -134.6 | 117.2 | 174.4 | -178.2 | 0 | 0 | 0 | 0 | 110.1 | A397 K400 H401 L541 P553 | A397-V543 HydrophobicContact CB-CB 4.35Å; A397-V543 HydrophobicContact CB-CG1 4.18Å; A397-V543 HydrophobicContact CB-CG2 4.01Å; A397-V543 WeakPolarHBondContact O-CG1 3.43Å; K400-V543 HydrophobicContact CB-CG2 4.43Å; H401-V543 HydrophobicContact CB-CG1 4.08Å; L541-V543 PolarHBondContact O-N 2.67Å; V543-P553 HydrophobicContact CB-CG 4.14Å; V543-P553 HydrophobicContact CG2-CG 4.31Å | ||
| 544 | R | 39.2 | Very low | 54.1 | Low | 179 Ų | 179 | 88 Ų | 88 | 68% | 0.675 | 44% | 0.441 | S | S | * | . | trans | 67.6 | 110 | 164.6 | -150.2 | 172 | -166.7 | 137.2 | 2.4 | 118.7 | T546 | R544-T546 HydrophobicContact CG-CG2 4.14Š| ||
| 545 | R | 36 | Very low | 53.8 | Low | 236 Ų | 236 | 86.9 Ų | 86.9 | 89% | 0.891 | 43% | 0.434 | S | S | * | . | trans | -78 | 113.9 | 152.4 | -77.4 | -175.8 | 169.8 | 94.6 | -0.6 | 108.4 | ||||
| 546 | T | 40.2 | Very low | 53.9 | Low | 67 Ų | 67 | 86 Ų | 86 | 41% | 0.411 | 43% | 0.429 | S | S | . | . | B | Isolated β-bridge | trans | -106.5 | 145.2 | 151 | 57.6 | 0 | 0 | 0 | 0 | 107.4 | R544 E548 R549 | R544-T546 HydrophobicContact CG-CG2 4.14Å; T546-E548 PolarHBondContact O-N 3.37Å; T546-R549 PolarHBondContact OG1-O 3.48Å |
| 547 | P | 46 | Very low | 53.9 | Low | 140 Ų | 140 | 88 Ų | 88 | 91% | 0.909 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -4.1 | -167.5 | 23 | -31.6 | 0 | 0 | 0 | 115.5 | ||
| 548 | E | 45.6 | Very low | 54.2 | Low | 183 Ų | 183 | 88.1 Ų | 88.1 | 86% | 0.855 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.9 | -18.2 | -172.7 | -70.9 | -174 | 155.3 | 0 | 0 | 116.2 | T546 | T546-E548 PolarHBondContact O-N 3.37Š|
| 549 | R | 34.5 | Very low | 54.4 | Low | 208 Ų | 208 | 92.8 Ų | 92.8 | 79% | 0.785 | 45% | 0.446 | S | S | * | . | B | Isolated β-bridge | trans | -153.6 | 133.5 | 170.6 | -67.6 | -168.9 | -176.7 | 169.6 | 2 | 111.4 | T546 | T546-R549 PolarHBondContact OG1-O 3.48Å |
| 550 | V | 35.8 | Very low | 54.9 | Low | 82 Ų | 82 | 93.7 Ų | 93.7 | 50% | 0.497 | 45% | 0.451 | S | S | . | . | trans | -101.8 | 104.7 | 176.1 | -168.6 | 0 | 0 | 0 | 0 | 108.7 | Y552 | V550-Y552 HydrophobicContact CB-CE2 4.23Å; V550-Y552 HydrophobicContact CG1-CD1 4.22Å; V550-Y552 HydrophobicContact CG1-CD2 3.83Å; V550-Y552 HydrophobicContact CG1-CE1 3.74Å; V550-Y552 HydrophobicContact CG1-CE2 3.3Å; V550-Y552 HydrophobicContact CG1-CG 4.27Å | ||
| 551 | T | 39.5 | Very low | 55.6 | Low | 100 Ų | 100 | 91.6 Ų | 91.6 | 61% | 0.613 | 45% | 0.447 | S | S | * | . | trans | -107.8 | 103.7 | 169.9 | -34.1 | 0 | 0 | 0 | 0 | 107.1 | P553 | T551-P553 VanDerWaalsContact O-CD 3.31Å; T551-P553 WeakPolarHBondContact O-CD 3.3Å | ||
| 552 | Y | 42.3 | Very low | 56.7 | Low | 136 Ų | 136 | 94.9 Ų | 94.9 | 53% | 0.533 | 47% | 0.465 | S | S | . | . | trans | -78.4 | 118.5 | 172.3 | -58.3 | -83.2 | 0 | 0 | 0 | 107.6 | I540 V550 S554 | I540-Y552 HydrophobicContact CG2-CD1 4.22Å; V550-Y552 HydrophobicContact CB-CE2 4.23Å; V550-Y552 HydrophobicContact CG1-CD1 4.22Å; V550-Y552 HydrophobicContact CG1-CD2 3.83Å; V550-Y552 HydrophobicContact CG1-CE1 3.74Å; V550-Y552 HydrophobicContact CG1-CE2 3.3Å; V550-Y552 HydrophobicContact CG1-CG 4.27Å; Y552-S554 VanDerWaalsContact C-N 3.26Å; Y552-S554 PolarHBondContact O-N 2.94Å | ||
| 553 | P | 52 | Low | 58.5 | Low | 28 Ų | 28 | 92.7 Ų | 92.7 | 18% | 0.182 | 44% | 0.444 | C | S | . | . | trans | -68 | 95 | 164.4 | 24.9 | -26.6 | 0 | 0 | 0 | 107.2 | L541 V543 T551 | L541-P553 HydrophobicContact CB-CG 4.22Å; L541-P553 VanDerWaalsContact CB-O 3.31Å; L541-P553 WeakPolarHBondContact CB-O 3.43Å; L541-P553 PolarHBondContact N-O 3.24Å; L541-P553 VanDerWaalsContact N-O 3.13Å; L541-P553 WeakPolarHBondContact O-CD 3.44Å; L541-P553 WeakPolarHBondContact O-CG 3.23Å; V543-P553 HydrophobicContact CB-CG 4.14Å; V543-P553 HydrophobicContact CG2-CG 4.31Å; T551-P553 VanDerWaalsContact O-CD 3.31Å; T551-P553 WeakPolarHBondContact O-CD 3.3Å | ||
| 554 | S | 61.4 | Low | 60.1 | Low | 19 Ų | 19 | 92.9 Ų | 92.9 | 13% | 0.133 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 133.4 | 165.5 | 48.4 | 0 | 0 | 0 | 0 | 107.7 | A461 I539 Y552 | A461-S554 WeakPolarHBondContact CB-O 3.33Å; A461-S554 VanDerWaalsContact CB-OG 3.26Å; A461-S554 WeakPolarHBondContact CB-OG 2.96Å; I539-S554 WeakPolarHBondContact O-CA 3.32Å; Y552-S554 VanDerWaalsContact C-N 3.26Å; Y552-S554 PolarHBondContact O-N 2.94Å |
| 555 | M | 74.3 | Confident | 62 | Low | 56 Ų | 56 | 90.3 Ų | 90.3 | 28% | 0.276 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 147.6 | 168.9 | 71.4 | 171.7 | -173.6 | 0 | 0 | 109.4 | I539 L541 W557 | I539-M555 HydrophobicContact CB-CG 4.36Å; I539-M555 HydrophobicContact CD1-CE 4.28Å; I539-M555 PolarHBondContact N-O 2.98Å; I539-M555 PolarHBondContact O-N 3.22Å; L541-M555 HydrophobicContact CD1-CB 4.33Å; L541-M555 HydrophobicContact CD1-CE 4.42Å; L541-M555 HydrophobicContact CD1-CG 3.86Å; L541-M555 HydrophobicContact CD1-SD 3.84Å; L541-M555 HydrophobicContact CD2-CE 4.28Å; L541-M555 HydrophobicContact CG-CG 4.36Å; M555-W557 HydrophobicContact CE-CB 4.11Å; M555-W557 HydrophobicContact CE-CG 4.36Å |
| 556 | C | 82.3 | Confident | 64.3 | Low | 0 Ų | 0 | 83.8 Ų | 83.8 | 0% | 0 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 111.4 | 177.5 | -64 | 0 | 0 | 0 | 0 | 110.3 | C469 A473 | C469-C556 WeakPolarHBondContact CA-SG 3.5Å; C469-C556 HydrophobicContact CB-CB 4.14Å; C469-C556 WeakPolarHBondContact CB-SG 3.46Å; C469-C556 VanDerWaalsContact O-CB 3.3Å; C469-C556 WeakPolarHBondContact O-CB 3.01Å; C469-C556 VanDerWaalsContact SG-CA 3.57Å; C469-C556 WeakPolarHBondContact SG-CB 3.42Å; C469-C556 CovalentContact SG-SG 2.03Å; C469-C556 PolarHBondContact SG-SG 2.91Å; A473-C556 HydrophobicContact CB-CB 4.1Å |
| 557 | W | 84.2 | Confident | 66.4 | Low | 43 Ų | 43 | 81.5 Ų | 81.5 | 16% | 0.163 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | -174.2 | -176.9 | -170.4 | -108.1 | 0 | 0 | 0 | 112.5 | L476 H477 L480 G537 I539 M555 | L476-W557 HydrophobicContact CB-CE3 4.43Å; L476-W557 HydrophobicContact CB-CZ3 4.12Å; L476-W557 HydrophobicContact CD2-CE3 3.59Å; L476-W557 HydrophobicContact CD2-CZ3 3.73Å; L476-W557 HydrophobicContact CG-CE3 4Å; L476-W557 HydrophobicContact CG-CZ3 3.61Å; H477-W557 HydrophobicContact CB-CZ3 4.42Å; L480-W557 HydrophobicContact CD2-CH2 3.74Å; L480-W557 HydrophobicContact CD2-CZ2 4.34Å; G537-W557 PolarHBondContact N-O 2.64Å; G537-W557 PolarHBondContact O-N 3.11Å; I539-W557 HydrophobicContact CD1-CB 3.61Å; I539-W557 HydrophobicContact CD1-CG 4.11Å; I539-W557 HydrophobicContact CG1-CB 4.15Å; M555-W557 HydrophobicContact CE-CB 4.11Å; M555-W557 HydrophobicContact CE-CG 4.36Å |
| 558 | I | 82.7 | Confident | 68.2 | Low | 5 Ų | 5 | 75.1 Ų | 75.1 | 3% | 0.026 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 119.9 | 177.4 | -55.7 | 168.9 | 0 | 0 | 0 | 109.4 | N535 Y536 I539 D560 V563 | N535-I558 CarbonylContact O-C 3.05Å; N535-I558 VanDerWaalsContact O-CA 3.27Å; N535-I558 WeakPolarHBondContact O-CA 3.4Å; Y536-I558 HydrophobicContact CD1-CG1 4Å; Y536-I558 HydrophobicContact CE1-CD1 4.31Å; Y536-I558 HydrophobicContact CE1-CG1 3.64Å; I539-I558 WeakPolarHBondContact CD1-O 3.44Å; I558-D560 WeakPolarHBondContact CG2-O 3.35Å; I558-V563 HydrophobicContact CG2-CB 4.05Å; I558-V563 HydrophobicContact CG2-CG1 4.03Å |
| 559 | R | 77.2 | Confident | 69.9 | Low | 163 Ų | 163 | 68.6 Ų | 68.6 | 62% | 0.615 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -73.6 | -36.2 | -178.8 | -62.3 | 179.7 | 75.3 | 179.6 | 3.5 | 112.9 | N534 N535 | N534-R559 WeakPolarHBondContact O-CD 3.48Å; N535-R559 PolarHBondContact O-N 2.62Å |
| 560 | D | 76.8 | Confident | 72.4 | Confident | 64 Ų | 64 | 60.5 Ų | 60.5 | 34% | 0.342 | 32% | 0.32 | S | S | . | . | trans | -83 | 116.5 | 178.9 | -168.8 | -21.4 | 0 | 0 | 0 | 110.4 | I558 L562 V563 S564 | I558-D560 WeakPolarHBondContact CG2-O 3.35Å; D560-L562 VanDerWaalsContact C-N 3.28Å; D560-L562 PolarHBondContact O-N 2.77Å; D560-L562 WeakPolarHBondContact OD1-CB 3.26Å; D560-L562 PolarHBondContact OD1-N 2.7Å; D560-V563 HydrophobicContact CB-CB 4.16Å; D560-V563 HydrophobicContact CB-CG2 3.89Å; D560-V563 PolarHBondContact O-N 2.78Å; D560-S564 PolarHBondContact O-N 2.87Å; D560-S564 VanDerWaalsContact O-N 3.1Å | ||
| 561 | S | 73.5 | Confident | 74.8 | Confident | 78 Ų | 78 | 57.9 Ų | 57.9 | 55% | 0.545 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.6 | -35.6 | 179.2 | 58.2 | 0 | 0 | 0 | 0 | 111.9 | S564 Y565 | S561-S564 PolarHBondContact O-N 3.39Å; S561-Y565 WeakPolarHBondContact O-CB 3.16Å; S561-Y565 WeakPolarHBondContact O-CD2 2.97Å; S561-Y565 PolarHBondContact O-N 3.42Å |
| 562 | L | 78.7 | Confident | 77 | Confident | 113 Ų | 113 | 54.5 Ų | 54.5 | 59% | 0.592 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -67.2 | -44.9 | -179.3 | -172.2 | 147.5 | 0 | 0 | 0 | 110.9 | D560 S564 Y565 V566 | D560-L562 VanDerWaalsContact C-N 3.28Å; D560-L562 PolarHBondContact O-N 2.77Å; D560-L562 WeakPolarHBondContact OD1-CB 3.26Å; D560-L562 PolarHBondContact OD1-N 2.7Å; L562-S564 VanDerWaalsContact C-N 3.35Å; L562-S564 PolarHBondContact O-N 2.59Å; L562-Y565 PolarHBondContact O-N 3.29Å; L562-V566 HydrophobicContact CD2-CG2 4.12Å; L562-V566 WeakPolarHBondContact O-CB 2.9Å; L562-V566 WeakPolarHBondContact O-CG2 3.3Å; L562-V566 PolarHBondContact O-N 3.29Å |
| 563 | V | 80.5 | Confident | 79.1 | Confident | 24 Ų | 24 | 50 Ų | 50 | 15% | 0.145 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.7 | -48.4 | 175.2 | 177.6 | 0 | 0 | 0 | 0 | 109.9 | V528 I558 D560 Y565 V566 T567 | V528-V563 HydrophobicContact CG1-CG1 3.66Å; V528-V563 HydrophobicContact CG2-CG1 4.26Å; I558-V563 HydrophobicContact CG2-CB 4.05Å; I558-V563 HydrophobicContact CG2-CG1 4.03Å; D560-V563 HydrophobicContact CB-CB 4.16Å; D560-V563 HydrophobicContact CB-CG2 3.89Å; D560-V563 PolarHBondContact O-N 2.78Å; V563-Y565 PolarHBondContact O-N 3.41Å; V563-V566 PolarHBondContact O-N 3.36Å; V563-T567 HydrophobicContact CG1-CG2 4.18Å; V563-T567 WeakPolarHBondContact O-CG2 3.1Å; V563-T567 PolarHBondContact O-N 2.9Å; V563-T567 PolarHBondContact O-OG1 3.27Å |
| 564 | S | 79.1 | Confident | 80.8 | Confident | 26 Ų | 26 | 53.8 Ų | 53.8 | 18% | 0.182 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 178.6 | -176.2 | 0 | 0 | 0 | 0 | 112.7 | D560 S561 L562 N568 | D560-S564 PolarHBondContact O-N 2.87Å; D560-S564 VanDerWaalsContact O-N 3.1Å; S561-S564 PolarHBondContact O-N 3.39Å; L562-S564 VanDerWaalsContact C-N 3.35Å; L562-S564 PolarHBondContact O-N 2.59Å; S564-N568 WeakPolarHBondContact O-CB 3.37Å; S564-N568 PolarHBondContact O-N 3.06Å; S564-N568 PolarHBondContact O-ND2 3.13Å; S564-N568 PolarHBondContact OG-ND2 3.39Å |
| 565 | Y | 79.9 | Confident | 82.1 | Confident | 125 Ų | 125 | 53.8 Ų | 53.8 | 49% | 0.49 | 29% | 0.286 | S | S | . | . | I | π-helix | trans | -65.9 | -48.4 | 176.4 | -77.7 | -56.9 | 0 | 0 | 0 | 111.7 | S561 L562 V563 L569 G570 F624 | S561-Y565 WeakPolarHBondContact O-CB 3.16Å; S561-Y565 WeakPolarHBondContact O-CD2 2.97Å; S561-Y565 PolarHBondContact O-N 3.42Å; L562-Y565 PolarHBondContact O-N 3.29Å; V563-Y565 PolarHBondContact O-N 3.41Å; Y565-L569 HydrophobicContact CD1-CB 4.44Å; Y565-L569 HydrophobicContact CD1-CD2 3.95Å; Y565-L569 HydrophobicContact CE1-CD2 4.5Å; Y565-L569 WeakPolarHBondContact O-CA 3.42Å; Y565-L569 WeakPolarHBondContact O-CB 3.43Å; Y565-L569 PolarHBondContact O-N 3.41Å; Y565-G570 PolarHBondContact O-N 3.47Å; Y565-F624 HydrophobicContact CE1-CE1 4.18Å; Y565-F624 HydrophobicContact CE1-CZ 4.13Å |
| 566 | V | 84.2 | Confident | 82.8 | Confident | 99 Ų | 99 | 53 Ų | 53 | 60% | 0.6 | 28% | 0.281 | S | S | * | . | I | π-helix | trans | -66.4 | -47.1 | -176.8 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | L562 V563 | L562-V566 HydrophobicContact CD2-CG2 4.12Å; L562-V566 WeakPolarHBondContact O-CB 2.9Å; L562-V566 WeakPolarHBondContact O-CG2 3.3Å; L562-V566 PolarHBondContact O-N 3.29Å; V563-V566 PolarHBondContact O-N 3.36Å |
| 567 | T | 83 | Confident | 83.1 | Confident | 19 Ų | 19 | 58.2 Ų | 58.2 | 12% | 0.117 | 31% | 0.308 | C | S | . | . | I | π-helix | trans | -75.7 | -43.5 | -175.8 | 65 | 0 | 0 | 0 | 0 | 112 | H477 V528 V563 L571 | H477-T567 PolarHBondContact NE2-OG1 3.47Å; V528-T567 HydrophobicContact CG2-CG2 3.86Å; V563-T567 HydrophobicContact CG1-CG2 4.18Å; V563-T567 WeakPolarHBondContact O-CG2 3.1Å; V563-T567 PolarHBondContact O-N 2.9Å; V563-T567 PolarHBondContact O-OG1 3.27Å; T567-L571 WeakPolarHBondContact O-CB 3.41Å; T567-L571 WeakPolarHBondContact O-CD1 3.22Å; T567-L571 WeakPolarHBondContact O-CG 3.33Å |
| 568 | N | 84.6 | Confident | 83.4 | Confident | 6 Ų | 6 | 60.4 Ų | 60.4 | 3% | 0.032 | 32% | 0.319 | C | S | . | . | I | π-helix | trans | -88.5 | -57.6 | -175.4 | -57.2 | -53.7 | 0 | 0 | 0 | 111.7 | H477 S564 G570 L571 F572 | H477-N568 PolarHBondContact CD2-OD1 3.43Å; H477-N568 PolarHBondContact NE2-OD1 2.97Å; S564-N568 WeakPolarHBondContact O-CB 3.37Å; S564-N568 PolarHBondContact O-N 3.06Å; S564-N568 PolarHBondContact O-ND2 3.13Å; S564-N568 PolarHBondContact OG-ND2 3.39Å; N568-G570 VanDerWaalsContact C-N 3.34Å; N568-G570 PolarHBondContact O-N 3.4Å; N568-L571 PolarHBondContact O-N 2.71Å; N568-F572 HydrophobicContact CB-CD2 4.35Å; N568-F572 HydrophobicContact CB-CE2 3.85Å; N568-F572 HydrophobicContact CB-CZ 4.26Å; N568-F572 WeakPolarHBondContact O-CB 3.45Å; N568-F572 WeakPolarHBondContact O-CD2 3.27Å; N568-F572 WeakPolarHBondContact O-CG 3.36Å; N568-F572 PolarHBondContact O-N 2.98Å |
| 569 | L | 82.3 | Confident | 83.7 | Confident | 46 Ų | 46 | 60.4 Ų | 60.4 | 24% | 0.241 | 32% | 0.319 | C | S | . | . | I | π-helix | trans | -66.8 | -35.9 | -174.7 | -173.6 | 63.7 | 0 | 0 | 0 | 112.5 | Y565 F572 S573 V620 F624 | Y565-L569 HydrophobicContact CD1-CB 4.44Å; Y565-L569 HydrophobicContact CD1-CD2 3.95Å; Y565-L569 HydrophobicContact CE1-CD2 4.5Å; Y565-L569 WeakPolarHBondContact O-CA 3.42Å; Y565-L569 WeakPolarHBondContact O-CB 3.43Å; Y565-L569 PolarHBondContact O-N 3.41Å; L569-F572 HydrophobicContact CD1-CD2 4.45Å; L569-F572 PolarHBondContact O-N 3.33Å; L569-S573 WeakPolarHBondContact O-CB 3.38Å; L569-S573 PolarHBondContact O-N 2.96Å; L569-S573 PolarHBondContact O-OG 3.14Å; L569-V620 HydrophobicContact CD1-CG1 4.22Å; L569-F624 HydrophobicContact CD1-CD2 4.43Å; L569-F624 HydrophobicContact CD1-CE2 3.9Å; L569-F624 HydrophobicContact CD2-CE2 4.09Å; L569-F624 HydrophobicContact CD2-CZ 4.31Å |
| 570 | G | 85.8 | Confident | 84.3 | Confident | 39 Ų | 39 | 56.8 Ų | 56.8 | 40% | 0.402 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.5 | -48.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y565 N568 S573 L574 | Y565-G570 PolarHBondContact O-N 3.47Å; N568-G570 VanDerWaalsContact C-N 3.34Å; N568-G570 PolarHBondContact O-N 3.4Å; G570-S573 PolarHBondContact O-N 3.28Å; G570-L574 PolarHBondContact O-N 2.96Å |
| 571 | L | 86 | Confident | 85 | Confident | 26 Ų | 26 | 56.2 Ų | 56.2 | 14% | 0.136 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -71.7 | -37.2 | 178.5 | -68.7 | 177.3 | 0 | 0 | 0 | 113.1 | L481 L484 F520 L524 T567 N568 S573 L574 V575 | L481-L571 HydrophobicContact CD1-CD1 4.49Å; L481-L571 HydrophobicContact CD2-CD1 3.51Å; L484-L571 HydrophobicContact CD1-CB 4.4Å; F520-L571 HydrophobicContact CE1-CD1 4Å; F520-L571 HydrophobicContact CE1-CD2 3.88Å; F520-L571 HydrophobicContact CZ-CD1 4.32Å; F520-L571 HydrophobicContact CZ-CD2 3.78Å; L524-L571 HydrophobicContact CD1-CD1 3.46Å; L524-L571 VanDerWaalsContact CD1-CD1 3.46Å; T567-L571 WeakPolarHBondContact O-CB 3.41Å; T567-L571 WeakPolarHBondContact O-CD1 3.22Å; T567-L571 WeakPolarHBondContact O-CG 3.33Å; N568-L571 PolarHBondContact O-N 2.71Å; L571-S573 VanDerWaalsContact C-N 3.31Å; L571-S573 PolarHBondContact O-N 3.23Å; L571-L574 HydrophobicContact CD2-CD2 4.38Å; L571-L574 PolarHBondContact O-N 3.23Å; L571-V575 WeakPolarHBondContact O-CG2 3.46Å; L571-V575 PolarHBondContact O-N 2.99Å |
| 572 | F | 86.3 | Confident | 85.6 | Confident | 30 Ų | 30 | 53.6 Ų | 53.6 | 13% | 0.132 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.1 | -48.2 | 172.3 | -68.7 | -36.2 | 0 | 0 | 0 | 110.9 | L480 L484 N568 L569 L574 V575 F576 W617 | L480-F572 HydrophobicContact CD1-CE1 4.19Å; L480-F572 HydrophobicContact CD1-CZ 4.11Å; L480-F572 HydrophobicContact CD2-CE1 4.41Å; L480-F572 HydrophobicContact CD2-CZ 3.88Å; L480-F572 HydrophobicContact CG-CE1 4.37Å; L480-F572 HydrophobicContact CG-CZ 4.27Å; L484-F572 HydrophobicContact CD1-CD1 3.29Å; L484-F572 HydrophobicContact CD1-CE1 3.27Å; L484-F572 HydrophobicContact CD1-CG 4.41Å; L484-F572 HydrophobicContact CD1-CZ 4.37Å; L484-F572 HydrophobicContact CD2-CD1 3.4Å; L484-F572 HydrophobicContact CD2-CE1 3.56Å; L484-F572 HydrophobicContact CG-CD1 3.87Å; L484-F572 HydrophobicContact CG-CE1 3.76Å; N568-F572 HydrophobicContact CB-CD2 4.35Å; N568-F572 HydrophobicContact CB-CE2 3.85Å; N568-F572 HydrophobicContact CB-CZ 4.26Å; N568-F572 WeakPolarHBondContact O-CB 3.45Å; N568-F572 WeakPolarHBondContact O-CD2 3.27Å; N568-F572 WeakPolarHBondContact O-CG 3.36Å; N568-F572 PolarHBondContact O-N 2.98Å; L569-F572 HydrophobicContact CD1-CD2 4.45Å; L569-F572 PolarHBondContact O-N 3.33Å; F572-L574 PolarHBondContact O-N 3.37Å; F572-V575 PolarHBondContact O-N 3.12Å; F572-F576 VanDerWaalsContact O-CB 3.27Å; F572-F576 WeakPolarHBondContact O-CB 3.38Å; F572-F576 PolarHBondContact O-N 2.7Å; F572-W617 HydrophobicContact CB-CE3 4.49Å; F572-W617 HydrophobicContact CD1-CD2 4.42Å; F572-W617 AromaticContact CD1-CE3 3.63Å; F572-W617 HydrophobicContact CD1-CE3 3.63Å; F572-W617 HydrophobicContact CD1-CH2 4.1Å; F572-W617 AromaticContact CD1-CZ3 3.44Å; F572-W617 HydrophobicContact CD1-CZ3 3.44Å; F572-W617 VanDerWaalsContact CD1-CZ3 3.44Å; F572-W617 AromaticContact CE1-CE3 3.93Å; F572-W617 HydrophobicContact CE1-CE3 3.93Å; F572-W617 AromaticContact CE1-CH2 3.68Å; F572-W617 HydrophobicContact CE1-CH2 3.68Å; F572-W617 AromaticContact CE1-CZ3 3.22Å; F572-W617 HydrophobicContact CE1-CZ3 3.22Å; F572-W617 HydrophobicContact CG-CE3 4.09Å; F572-W617 HydrophobicContact CG-CZ3 4.19Å; F572-W617 HydrophobicContact CZ-CH2 4.48Å; F572-W617 AromaticContact CZ-CZ3 3.83Å; F572-W617 HydrophobicContact CZ-CZ3 3.83Å |
| 573 | S | 85.9 | Confident | 86.1 | Confident | 40 Ų | 40 | 49.4 Ų | 49.4 | 28% | 0.28 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.7 | -42.4 | -180 | -56.3 | 0 | 0 | 0 | 0 | 111.4 | L569 G570 L571 F576 L577 | L569-S573 WeakPolarHBondContact O-CB 3.38Å; L569-S573 PolarHBondContact O-N 2.96Å; L569-S573 PolarHBondContact O-OG 3.14Å; G570-S573 PolarHBondContact O-N 3.28Å; L571-S573 VanDerWaalsContact C-N 3.31Å; L571-S573 PolarHBondContact O-N 3.23Å; S573-F576 PolarHBondContact O-N 3.2Å; S573-L577 WeakPolarHBondContact O-CB 3.29Å; S573-L577 VanDerWaalsContact O-CG 3.27Å; S573-L577 WeakPolarHBondContact O-CG 3.28Å; S573-L577 PolarHBondContact O-N 3.03Å |
| 574 | L | 89 | Confident | 86.5 | Confident | 109 Ų | 109 | 50.7 Ų | 50.7 | 57% | 0.571 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.7 | -48.8 | 177.9 | -177.3 | 66 | 0 | 0 | 0 | 112.1 | G570 L571 F572 L577 F578 | G570-L574 PolarHBondContact O-N 2.96Å; L571-L574 HydrophobicContact CD2-CD2 4.38Å; L571-L574 PolarHBondContact O-N 3.23Å; F572-L574 PolarHBondContact O-N 3.37Å; L574-L577 PolarHBondContact O-N 3.44Å; L574-F578 VanDerWaalsContact O-CB 3.28Å; L574-F578 WeakPolarHBondContact O-CB 3.45Å; L574-F578 PolarHBondContact O-N 2.8Å |
| 575 | V | 88.5 | Confident | 86.9 | Confident | 19 Ų | 19 | 52.5 Ų | 52.5 | 12% | 0.115 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 179.6 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | L484 L571 F572 F578 N579 | L484-V575 HydrophobicContact CB-CG2 4.4Å; L571-V575 WeakPolarHBondContact O-CG2 3.46Å; L571-V575 PolarHBondContact O-N 2.99Å; F572-V575 PolarHBondContact O-N 3.12Å; V575-F578 PolarHBondContact O-N 3.14Å; V575-N579 WeakPolarHBondContact O-CB 3.36Å; V575-N579 PolarHBondContact O-N 2.82Å |
| 576 | F | 87.3 | Confident | 87.1 | Confident | 40 Ų | 40 | 46.7 Ų | 46.7 | 18% | 0.175 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.6 | -51.9 | 175.4 | 172.1 | -109.7 | 0 | 0 | 0 | 111.9 | F572 S573 F578 N579 L580 W617 A618 | F572-F576 VanDerWaalsContact O-CB 3.27Å; F572-F576 WeakPolarHBondContact O-CB 3.38Å; F572-F576 PolarHBondContact O-N 2.7Å; S573-F576 PolarHBondContact O-N 3.2Å; F576-F578 VanDerWaalsContact C-N 3.31Å; F576-F578 PolarHBondContact O-N 3.45Å; F576-N579 PolarHBondContact O-N 2.02Å; F576-L580 HydrophobicContact CE1-CD2 4.26Å; F576-L580 HydrophobicContact CZ-CD2 4.08Å; F576-L580 WeakPolarHBondContact O-CB 3.41Å; F576-L580 PolarHBondContact O-N 3.36Å; F576-W617 HydrophobicContact CB-CB 3.96Å; F576-W617 HydrophobicContact CD2-CB 4.07Å; F576-W617 HydrophobicContact CG-CB 4.3Å; F576-A618 HydrophobicContact CD2-CB 4.44Å; F576-A618 HydrophobicContact CE2-CB 3.66Å; F576-A618 HydrophobicContact CZ-CB 4.01Å |
| 577 | L | 89.9 | Confident | 87.2 | Confident | 109 Ų | 109 | 44.2 Ų | 44.2 | 57% | 0.571 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -61 | -41.9 | 178.6 | -70.6 | 174 | 0 | 0 | 0 | 111.5 | S573 L574 A581 | S573-L577 WeakPolarHBondContact O-CB 3.29Å; S573-L577 VanDerWaalsContact O-CG 3.27Å; S573-L577 WeakPolarHBondContact O-CG 3.28Å; S573-L577 PolarHBondContact O-N 3.03Å; L574-L577 PolarHBondContact O-N 3.44Å; L577-A581 WeakPolarHBondContact O-CB 3.33Å; L577-A581 PolarHBondContact O-N 2.75Å |
| 578 | F | 90.9 | Very high | 87.4 | Confident | 88 Ų | 88 | 46.5 Ų | 46.5 | 39% | 0.386 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.2 | -54.7 | 176.8 | -178.8 | -104.4 | 0 | 0 | 0 | 111.4 | G488 Y492 L574 V575 F576 L580 A581 M582 | G488-F578 WeakPolarHBondContact O-CE1 3.36Å; Y492-F578 HydrophobicContact CD2-CZ 4.25Å; Y492-F578 HydrophobicContact CG-CZ 4.49Å; L574-F578 VanDerWaalsContact O-CB 3.28Å; L574-F578 WeakPolarHBondContact O-CB 3.45Å; L574-F578 PolarHBondContact O-N 2.8Å; V575-F578 PolarHBondContact O-N 3.14Å; F576-F578 VanDerWaalsContact C-N 3.31Å; F576-F578 PolarHBondContact O-N 3.45Å; F578-L580 VanDerWaalsContact C-N 3.31Å; F578-L580 PolarHBondContact O-N 3.48Å; F578-A581 WeakPolarHBondContact O-CB 3.18Å; F578-A581 PolarHBondContact O-N 3.32Å; F578-A581 VanDerWaalsContact O-N 3.15Å; F578-M582 HydrophobicContact CD1-CG 4.2Å; F578-M582 HydrophobicContact CD2-SD 4.38Å; F578-M582 HydrophobicContact CE1-CG 3.9Å; F578-M582 HydrophobicContact CE1-SD 4.36Å; F578-M582 HydrophobicContact CE2-CG 4.34Å; F578-M582 HydrophobicContact CE2-SD 3.83Å; F578-M582 HydrophobicContact CZ-CG 3.98Å; F578-M582 HydrophobicContact CZ-SD 3.82Å; F578-M582 VanDerWaalsContact O-CG 3.27Å; F578-M582 WeakPolarHBondContact O-CG 3.48Å; F578-M582 PolarHBondContact O-N 3.21Å |
| 579 | N | 88.9 | Confident | 87.4 | Confident | 6 Ų | 6 | 49 Ų | 49 | 3% | 0.032 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63 | -35.7 | 179.5 | -81.8 | -24.4 | 0 | 0 | 0 | 112.7 | M487 G491 V575 F576 M582 L583 | M487-N579 PolarHBondContact O-ND2 3.46Å; G491-N579 WeakPolarHBondContact CA-OD1 3.37Å; V575-N579 WeakPolarHBondContact O-CB 3.36Å; V575-N579 PolarHBondContact O-N 2.82Å; F576-N579 PolarHBondContact O-N 2.02Å; N579-M582 PolarHBondContact O-N 2.72Å; N579-L583 VanDerWaalsContact O-CB 3.23Å; N579-L583 WeakPolarHBondContact O-CB 3.38Å; N579-L583 PolarHBondContact O-N 3.49Å |
| 580 | L | 89.2 | Confident | 87.4 | Confident | 86 Ų | 86 | 47.7 Ų | 47.7 | 45% | 0.45 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 174.5 | -178.7 | 62.9 | 0 | 0 | 0 | 111.5 | F576 F578 L583 A584 | F576-L580 HydrophobicContact CE1-CD2 4.26Å; F576-L580 HydrophobicContact CZ-CD2 4.08Å; F576-L580 WeakPolarHBondContact O-CB 3.41Å; F576-L580 PolarHBondContact O-N 3.36Å; F578-L580 VanDerWaalsContact C-N 3.31Å; F578-L580 PolarHBondContact O-N 3.48Å; L580-L583 PolarHBondContact O-N 3.43Å; L580-A584 WeakPolarHBondContact O-CB 3.33Å; L580-A584 PolarHBondContact O-N 3.35Å |
| 581 | A | 90.6 | Very high | 87.3 | Confident | 52 Ų | 52 | 52.1 Ų | 52.1 | 43% | 0.43 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L577 F578 A584 T585 | L577-A581 WeakPolarHBondContact O-CB 3.33Å; L577-A581 PolarHBondContact O-N 2.75Å; F578-A581 WeakPolarHBondContact O-CB 3.18Å; F578-A581 PolarHBondContact O-N 3.32Å; F578-A581 VanDerWaalsContact O-N 3.15Å; A581-A584 PolarHBondContact O-N 3.37Å; A581-T585 WeakPolarHBondContact O-CG2 3.48Å; A581-T585 PolarHBondContact O-N 3.14Å; A581-T585 PolarHBondContact O-OG1 3.39Å |
| 582 | M | 88 | Confident | 87.1 | Confident | 23 Ų | 23 | 59.9 Ų | 59.9 | 11% | 0.113 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 175.1 | -57.8 | -39.2 | -64.8 | 0 | 0 | 111.4 | Y492 Y495 F578 N579 T585 M586 | Y492-M582 HydrophobicContact CD2-CE 4.03Å; Y495-M582 HydrophobicContact CD1-CE 3.19Å; Y495-M582 HydrophobicContact CD2-CE 3.39Å; Y495-M582 HydrophobicContact CE1-CE 3.78Å; Y495-M582 HydrophobicContact CE2-CE 3.92Å; Y495-M582 HydrophobicContact CG-CE 2.98Å; F578-M582 HydrophobicContact CD1-CG 4.2Å; F578-M582 HydrophobicContact CD2-SD 4.38Å; F578-M582 HydrophobicContact CE1-CG 3.9Å; F578-M582 HydrophobicContact CE1-SD 4.36Å; F578-M582 HydrophobicContact CE2-CG 4.34Å; F578-M582 HydrophobicContact CE2-SD 3.83Å; F578-M582 HydrophobicContact CZ-CG 3.98Å; F578-M582 HydrophobicContact CZ-SD 3.82Å; F578-M582 VanDerWaalsContact O-CG 3.27Å; F578-M582 WeakPolarHBondContact O-CG 3.48Å; F578-M582 PolarHBondContact O-N 3.21Å; N579-M582 PolarHBondContact O-N 2.72Å; M582-T585 PolarHBondContact O-OG1 3.28Å; M582-M586 VanDerWaalsContact O-CB 3.25Å; M582-M586 WeakPolarHBondContact O-CB 3.31Å; M582-M586 PolarHBondContact O-N 2.89Å |
| 583 | L | 87.7 | Confident | 86.5 | Confident | 25 Ų | 25 | 62.3 Ų | 62.3 | 13% | 0.131 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.4 | -47.1 | 177 | 171.9 | 57.1 | 0 | 0 | 0 | 111.6 | N579 L580 T585 M586 V587 L607 S610 L611 | N579-L583 VanDerWaalsContact O-CB 3.23Å; N579-L583 WeakPolarHBondContact O-CB 3.38Å; N579-L583 PolarHBondContact O-N 3.49Å; L580-L583 PolarHBondContact O-N 3.43Å; L583-T585 PolarHBondContact O-N 3.11Å; L583-M586 HydrophobicContact CD1-CE 3.89Å; L583-M586 PolarHBondContact O-N 2.85Å; L583-V587 HydrophobicContact CD1-CG2 3.82Å; L583-V587 WeakPolarHBondContact O-CG2 3.35Å; L583-V587 PolarHBondContact O-N 3.28Å; L583-L607 HydrophobicContact CD1-CD1 3.48Å; L583-L607 VanDerWaalsContact CD1-CD1 3.48Å; L583-S610 WeakPolarHBondContact CD1-OG 3.07Å; L583-L611 HydrophobicContact CD2-CD2 4.1Å |
| 584 | A | 88.7 | Confident | 85.4 | Confident | 52 Ų | 52 | 70.5 Ų | 70.5 | 43% | 0.43 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.1 | -45.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L580 A581 V587 V588 | L580-A584 WeakPolarHBondContact O-CB 3.33Å; L580-A584 PolarHBondContact O-N 3.35Å; A581-A584 PolarHBondContact O-N 3.37Å; A584-V587 PolarHBondContact O-N 2.88Å; A584-V588 VanDerWaalsContact O-CG2 3.26Å; A584-V588 WeakPolarHBondContact O-CG2 3.17Å; A584-V588 PolarHBondContact O-N 3.49Å |
| 585 | T | 87.2 | Confident | 84.1 | Confident | 64 Ų | 64 | 69.3 Ų | 69.3 | 39% | 0.393 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66 | -41.1 | 176.9 | 53.1 | 0 | 0 | 0 | 0 | 112.3 | Y495 A581 M582 L583 V588 Q589 | Y495-T585 WeakPolarHBondContact CD2-OG1 3.31Å; Y495-T585 WeakPolarHBondContact CE2-OG1 3.46Å; A581-T585 WeakPolarHBondContact O-CG2 3.48Å; A581-T585 PolarHBondContact O-N 3.14Å; A581-T585 PolarHBondContact O-OG1 3.39Å; M582-T585 PolarHBondContact O-OG1 3.28Å; L583-T585 PolarHBondContact O-N 3.11Å; T585-V588 PolarHBondContact O-N 2.98Å; T585-Q589 WeakPolarHBondContact O-CB 3.48Å; T585-Q589 PolarHBondContact O-N 2.84Å |
| 586 | M | 85.9 | Confident | 82.6 | Confident | 2 Ų | 2 | 77.3 Ų | 77.3 | 1% | 0.01 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59 | -47.6 | 174 | -171.9 | -177.2 | 74.1 | 0 | 0 | 111.5 | L494 V498 M582 L583 Q589 I590 | L494-M586 HydrophobicContact CB-SD 4.41Å; V498-M586 HydrophobicContact CB-CG 3.87Å; V498-M586 HydrophobicContact CG1-CG 3.84Å; V498-M586 HydrophobicContact CG2-CG 3.84Å; V498-M586 HydrophobicContact CG2-SD 3.93Å; M582-M586 VanDerWaalsContact O-CB 3.25Å; M582-M586 WeakPolarHBondContact O-CB 3.31Å; M582-M586 PolarHBondContact O-N 2.89Å; L583-M586 HydrophobicContact CD1-CE 3.89Å; L583-M586 PolarHBondContact O-N 2.85Å; M586-Q589 PolarHBondContact O-N 3.42Å; M586-I590 HydrophobicContact CE-CD1 4.4Å; M586-I590 HydrophobicContact CG-CD1 3.81Å; M586-I590 WeakPolarHBondContact O-CB 3.46Å; M586-I590 WeakPolarHBondContact O-CD1 3.27Å; M586-I590 VanDerWaalsContact O-CG1 3.23Å; M586-I590 WeakPolarHBondContact O-CG1 3.48Å; M586-I590 PolarHBondContact O-N 2.85Å |
| 587 | V | 86.2 | Confident | 81.4 | Confident | 48 Ų | 48 | 80.3 Ų | 80.3 | 29% | 0.291 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.6 | -46 | 177.6 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | L583 A584 Q589 I590 L591 L607 | L583-V587 HydrophobicContact CD1-CG2 3.82Å; L583-V587 WeakPolarHBondContact O-CG2 3.35Å; L583-V587 PolarHBondContact O-N 3.28Å; A584-V587 PolarHBondContact O-N 2.88Å; V587-Q589 VanDerWaalsContact C-N 3.29Å; V587-Q589 PolarHBondContact O-N 2.75Å; V587-I590 PolarHBondContact O-N 3.27Å; V587-L591 HydrophobicContact CG1-CD1 3.8Å; V587-L591 HydrophobicContact CG1-CG 4.29Å; V587-L591 WeakPolarHBondContact O-CB 3.45Å; V587-L591 VanDerWaalsContact O-CG 3.24Å; V587-L591 WeakPolarHBondContact O-CG 3.32Å; V587-L591 PolarHBondContact O-N 3.49Å; V587-L607 HydrophobicContact CG2-CD1 4.04Å |
| 588 | V | 87.2 | Confident | 80.2 | Confident | 67 Ų | 67 | 76.8 Ų | 76.8 | 41% | 0.406 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.6 | -42.3 | 176.6 | 169.3 | 0 | 0 | 0 | 0 | 111.1 | A584 T585 L591 R592 | A584-V588 VanDerWaalsContact O-CG2 3.26Å; A584-V588 WeakPolarHBondContact O-CG2 3.17Å; A584-V588 PolarHBondContact O-N 3.49Å; T585-V588 PolarHBondContact O-N 2.98Å; V588-L591 PolarHBondContact O-N 3.37Å; V588-R592 VanDerWaalsContact O-CG 3.27Å; V588-R592 WeakPolarHBondContact O-CG 3.39Å; V588-R592 PolarHBondContact O-N 3.39Å |
| 589 | Q | 84.4 | Confident | 79.3 | Confident | 58 Ų | 58 | 78.6 Ų | 78.6 | 27% | 0.271 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -70 | -39.5 | 178.9 | -168.4 | 67.9 | -1.4 | 0 | 0 | 112.5 | V499 T585 M586 V587 L591 R592 L593 | V499-Q589 HydrophobicContact CG2-CB 3.99Å; V499-Q589 HydrophobicContact CG2-CG 4.11Å; T585-Q589 WeakPolarHBondContact O-CB 3.48Å; T585-Q589 PolarHBondContact O-N 2.84Å; M586-Q589 PolarHBondContact O-N 3.42Å; V587-Q589 VanDerWaalsContact C-N 3.29Å; V587-Q589 PolarHBondContact O-N 2.75Å; Q589-L591 VanDerWaalsContact C-N 3.32Å; Q589-L591 PolarHBondContact O-N 3.38Å; Q589-R592 PolarHBondContact O-N 3.09Å; Q589-L593 WeakPolarHBondContact O-CG 3.49Å; Q589-L593 PolarHBondContact O-N 3.39Å; Q589-L593 VanDerWaalsContact O-N 3.08Å |
| 590 | I | 82 | Confident | 78.7 | Confident | 19 Ų | 19 | 85.1 Ų | 85.1 | 10% | 0.097 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -60 | -43.4 | 174.2 | -71.7 | 161.8 | 0 | 0 | 0 | 110.6 | V498 M586 V587 R592 L593 Q598 V603 | V498-I590 HydrophobicContact CG1-CD1 4.24Å; V498-I590 HydrophobicContact CG1-CG1 3.75Å; M586-I590 HydrophobicContact CE-CD1 4.4Å; M586-I590 HydrophobicContact CG-CD1 3.81Å; M586-I590 WeakPolarHBondContact O-CB 3.46Å; M586-I590 WeakPolarHBondContact O-CD1 3.27Å; M586-I590 VanDerWaalsContact O-CG1 3.23Å; M586-I590 WeakPolarHBondContact O-CG1 3.48Å; M586-I590 PolarHBondContact O-N 2.85Å; V587-I590 PolarHBondContact O-N 3.27Å; I590-R592 VanDerWaalsContact C-N 3.32Å; I590-R592 PolarHBondContact O-N 2.79Å; I590-L593 PolarHBondContact O-N 3.48Å; I590-Q598 PolarHBondContact O-NE2 3.39Å; I590-Q598 VanDerWaalsContact O-NE2 3.08Å; I590-V603 HydrophobicContact CD1-CG1 4.14Å; I590-V603 HydrophobicContact CG2-CG1 3.76Å |
| 591 | L | 83.4 | Confident | 78.3 | Confident | 132 Ų | 132 | 84.9 Ų | 84.9 | 69% | 0.691 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -69 | -27.5 | 178.2 | -68.2 | 172.5 | 0 | 0 | 0 | 113 | V587 V588 Q589 | V587-L591 HydrophobicContact CG1-CD1 3.8Å; V587-L591 HydrophobicContact CG1-CG 4.29Å; V587-L591 WeakPolarHBondContact O-CB 3.45Å; V587-L591 VanDerWaalsContact O-CG 3.24Å; V587-L591 WeakPolarHBondContact O-CG 3.32Å; V587-L591 PolarHBondContact O-N 3.49Å; V588-L591 PolarHBondContact O-N 3.37Å; Q589-L591 VanDerWaalsContact C-N 3.32Å; Q589-L591 PolarHBondContact O-N 3.38Å |
| 592 | R | 82.2 | Confident | 77.7 | Confident | 189 Ų | 189 | 85.6 Ų | 85.6 | 71% | 0.713 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -75.1 | -30.2 | 174.1 | -75.4 | 172.4 | -178.6 | -171.6 | 0.7 | 112.9 | V588 Q589 I590 R594 | V588-R592 VanDerWaalsContact O-CG 3.27Å; V588-R592 WeakPolarHBondContact O-CG 3.39Å; V588-R592 PolarHBondContact O-N 3.39Å; Q589-R592 PolarHBondContact O-N 3.09Å; I590-R592 VanDerWaalsContact C-N 3.32Å; I590-R592 PolarHBondContact O-N 2.79Å; R592-R594 PolarHBondContact O-N 3.48Å |
| 593 | L | 74 | Confident | 77.3 | Confident | 80 Ų | 80 | 85.5 Ų | 85.5 | 42% | 0.419 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -71.3 | 126.2 | 176 | -73.6 | 162 | 0 | 0 | 0 | 109.1 | Q589 I590 | Q589-L593 WeakPolarHBondContact O-CG 3.49Å; Q589-L593 PolarHBondContact O-N 3.39Å; Q589-L593 VanDerWaalsContact O-N 3.08Å; I590-L593 PolarHBondContact O-N 3.48Å |
| 594 | R | 61.6 | Low | 77.1 | Confident | 213 Ų | 213 | 90 Ų | 90 | 80% | 0.804 | 46% | 0.458 | S | S | * | . | trans | -56.9 | 127.3 | -173.1 | -158.8 | -179.8 | -74.6 | -160.9 | -1.5 | 109.9 | R592 H596 | R592-R594 PolarHBondContact O-N 3.48Å; R594-H596 PolarHBondContact O-N 3.02Å | ||
| 595 | P | 62.6 | Low | 76.8 | Confident | 84 Ų | 84 | 88.8 Ų | 88.8 | 55% | 0.545 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -64.4 | -8.4 | -167.5 | 21.1 | -32.8 | 0 | 0 | 0 | 115.5 | W600 | P595-W600 HydrophobicContact CB-CZ2 4.39Š|
| 596 | H | 57.4 | Low | 76.6 | Confident | 186 Ų | 186 | 86.1 Ų | 86.1 | 86% | 0.861 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -83.7 | -9.2 | -171 | -146.4 | 53.3 | 0 | 0 | 0 | 114.8 | R594 | R594-H596 PolarHBondContact O-N 3.02Š|
| 597 | S | 60.8 | Low | 76.6 | Confident | 104 Ų | 104 | 88.6 Ų | 88.6 | 73% | 0.727 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -116 | 2.4 | 178.8 | 66 | 0 | 0 | 0 | 0 | 114.5 | ||
| 598 | Q | 65.3 | Low | 76.5 | Confident | 34 Ų | 34 | 87.8 Ų | 87.8 | 16% | 0.159 | 44% | 0.443 | C | S | . | . | trans | -91.2 | 131.6 | -173 | -74.5 | -178.1 | -11.6 | 0 | 0 | 112.2 | I590 W600 V603 | I590-Q598 PolarHBondContact O-NE2 3.39Å; I590-Q598 VanDerWaalsContact O-NE2 3.08Å; Q598-W600 VanDerWaalsContact C-N 3.26Å; Q598-W600 PolarHBondContact O-N 2.88Å; Q598-V603 HydrophobicContact CB-CG2 4.49Å | ||
| 599 | N | 72.1 | Confident | 76.4 | Confident | 126 Ų | 126 | 84.9 Ų | 84.9 | 67% | 0.674 | 43% | 0.425 | S | S | * | . | trans | -72.8 | 85 | 164.1 | -68.8 | -31.1 | 0 | 0 | 0 | 108.6 | P601 H602 V603 | N599-P601 VanDerWaalsContact C-N 3.25Å; N599-P601 VanDerWaalsContact O-N 3.15Å; N599-H602 HydrophobicContact CB-CB 4.04Å; N599-H602 WeakPolarHBondContact O-CA 3.48Å; N599-H602 VanDerWaalsContact O-CB 3.29Å; N599-H602 WeakPolarHBondContact O-CB 3.37Å; N599-H602 PolarHBondContact O-N 3.35Å; N599-V603 PolarHBondContact O-N 3.26Å; N599-V603 VanDerWaalsContact O-N 3.16Å | ||
| 600 | W | 77.1 | Confident | 76.4 | Confident | 144 Ų | 144 | 82.5 Ų | 82.5 | 55% | 0.545 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -45.6 | -40.3 | 177.7 | -81.9 | 101.3 | 0 | 0 | 0 | 114.6 | P595 Q598 H602 V603 L604 | P595-W600 HydrophobicContact CB-CZ2 4.39Å; Q598-W600 VanDerWaalsContact C-N 3.26Å; Q598-W600 PolarHBondContact O-N 2.88Å; W600-H602 VanDerWaalsContact C-N 3.28Å; W600-H602 PolarHBondContact O-N 3.09Å; W600-V603 PolarHBondContact O-N 3.36Å; W600-L604 WeakPolarHBondContact O-CB 3.34Å; W600-L604 PolarHBondContact O-N 3.09Å |
| 601 | P | 79.2 | Confident | 76.5 | Confident | 81 Ų | 81 | 85.1 Ų | 85.1 | 53% | 0.526 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.1 | -39.2 | 175.2 | -25.8 | 35.5 | 0 | 0 | 0 | 113 | N599 L604 T605 | N599-P601 VanDerWaalsContact C-N 3.25Å; N599-P601 VanDerWaalsContact O-N 3.15Å; P601-L604 PolarHBondContact O-N 3.33Å; P601-T605 WeakPolarHBondContact O-CG2 3.22Å; P601-T605 PolarHBondContact O-N 2.85Å; P601-T605 PolarHBondContact O-OG1 3.28Å |
| 602 | H | 78.1 | Confident | 76.6 | Confident | 66 Ų | 66 | 80.1 Ų | 80.1 | 31% | 0.306 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68.9 | -45.4 | 179.2 | -163.6 | 71.8 | 0 | 0 | 0 | 111.2 | N599 W600 L604 T605 L606 M655 | N599-H602 HydrophobicContact CB-CB 4.04Å; N599-H602 WeakPolarHBondContact O-CA 3.48Å; N599-H602 VanDerWaalsContact O-CB 3.29Å; N599-H602 WeakPolarHBondContact O-CB 3.37Å; N599-H602 PolarHBondContact O-N 3.35Å; W600-H602 VanDerWaalsContact C-N 3.28Å; W600-H602 PolarHBondContact O-N 3.09Å; H602-L604 VanDerWaalsContact C-N 3.31Å; H602-L604 PolarHBondContact O-N 2.92Å; H602-T605 WeakPolarHBondContact CA-OG1 3.34Å; H602-T605 PolarHBondContact O-N 2.81Å; H602-T605 PolarHBondContact O-OG1 3.07Å; H602-L606 WeakPolarHBondContact O-CG 3.06Å; H602-L606 PolarHBondContact O-N 3.03Å; H602-M655 WeakPolarHBondContact CE1-CE 3.41Å; H602-M655 VanDerWaalsContact CE1-SD 3.53Å |
| 603 | V | 81.2 | Confident | 76.6 | Confident | 22 Ų | 22 | 71.1 Ų | 71.1 | 13% | 0.133 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.2 | -45 | 175.6 | 175 | 0 | 0 | 0 | 0 | 110.9 | I590 Q598 N599 W600 T605 L606 L607 | I590-V603 HydrophobicContact CD1-CG1 4.14Å; I590-V603 HydrophobicContact CG2-CG1 3.76Å; Q598-V603 HydrophobicContact CB-CG2 4.49Å; N599-V603 PolarHBondContact O-N 3.26Å; N599-V603 VanDerWaalsContact O-N 3.16Å; W600-V603 PolarHBondContact O-N 3.36Å; V603-T605 VanDerWaalsContact C-N 3.35Å; V603-T605 PolarHBondContact O-N 2.78Å; V603-L606 PolarHBondContact O-N 3.24Å; V603-L607 WeakPolarHBondContact O-CB 3.4Å; V603-L607 PolarHBondContact O-N 2.92Å |
| 604 | L | 83.5 | Confident | 77 | Confident | 119 Ų | 119 | 68 Ų | 68 | 62% | 0.623 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -63.5 | -40 | 177.9 | -174.5 | 62.1 | 0 | 0 | 0 | 111.8 | W600 P601 H602 L607 G608 | W600-L604 WeakPolarHBondContact O-CB 3.34Å; W600-L604 PolarHBondContact O-N 3.09Å; P601-L604 PolarHBondContact O-N 3.33Å; H602-L604 VanDerWaalsContact C-N 3.31Å; H602-L604 PolarHBondContact O-N 2.92Å; L604-L607 PolarHBondContact O-N 3.04Å; L604-G608 PolarHBondContact O-N 3.41Å |
| 605 | T | 82 | Confident | 78.1 | Confident | 26 Ų | 26 | 61.6 Ų | 61.6 | 16% | 0.16 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.4 | -36.8 | 175.5 | 53.4 | 0 | 0 | 0 | 0 | 113.3 | P601 H602 V603 L609 W651 | P601-T605 WeakPolarHBondContact O-CG2 3.22Å; P601-T605 PolarHBondContact O-N 2.85Å; P601-T605 PolarHBondContact O-OG1 3.28Å; H602-T605 WeakPolarHBondContact CA-OG1 3.34Å; H602-T605 PolarHBondContact O-N 2.81Å; H602-T605 PolarHBondContact O-OG1 3.07Å; V603-T605 VanDerWaalsContact C-N 3.35Å; V603-T605 PolarHBondContact O-N 2.78Å; T605-L609 PolarHBondContact O-N 3.26Å; T605-W651 PolarHBondContact O-NE1 3.4Å |
| 606 | L | 83.3 | Confident | 79.1 | Confident | 8 Ų | 8 | 57.6 Ų | 57.6 | 4% | 0.042 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.8 | -42.2 | 176 | -66.4 | 172.9 | 0 | 0 | 0 | 111.3 | L494 L497 V498 H602 V603 L609 S610 | L494-L606 HydrophobicContact CD2-CD2 3.72Å; L497-L606 HydrophobicContact CD2-CD2 4.27Å; V498-L606 HydrophobicContact CG2-CD1 4.39Å; H602-L606 WeakPolarHBondContact O-CG 3.06Å; H602-L606 PolarHBondContact O-N 3.03Å; V603-L606 PolarHBondContact O-N 3.24Å; L606-L609 PolarHBondContact O-N 3.27Å; L606-S610 PolarHBondContact O-N 3.21Å |
| 607 | L | 85.3 | Confident | 80.2 | Confident | 54 Ų | 54 | 49.2 Ų | 49.2 | 28% | 0.283 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.5 | -44 | 175.8 | -178.2 | 58.9 | 0 | 0 | 0 | 111.4 | L583 V587 V603 L604 L609 S610 L611 | L583-L607 HydrophobicContact CD1-CD1 3.48Å; L583-L607 VanDerWaalsContact CD1-CD1 3.48Å; V587-L607 HydrophobicContact CG2-CD1 4.04Å; V603-L607 WeakPolarHBondContact O-CB 3.4Å; V603-L607 PolarHBondContact O-N 2.92Å; L604-L607 PolarHBondContact O-N 3.04Å; L607-L609 PolarHBondContact O-N 2.95Å; L607-S610 PolarHBondContact O-N 2.65Å; L607-L611 HydrophobicContact CD1-CD1 4.46Å; L607-L611 HydrophobicContact CD1-CG 4.42Å; L607-L611 HydrophobicContact CG-CD1 4.16Å; L607-L611 VanDerWaalsContact O-CG 3.31Å; L607-L611 WeakPolarHBondContact O-CG 3.31Å; L607-L611 PolarHBondContact O-N 2.87Å |
| 608 | G | 84.4 | Confident | 81.2 | Confident | 31 Ų | 31 | 45 Ų | 45 | 32% | 0.32 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.2 | -45.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L604 L611 V612 | L604-G608 PolarHBondContact O-N 3.41Å; G608-L611 PolarHBondContact O-N 3.41Å; G608-V612 WeakPolarHBondContact O-CG2 3.46Å; G608-V612 PolarHBondContact O-N 3.33Å |
| 609 | L | 85 | Confident | 82.1 | Confident | 6 Ų | 6 | 44.9 Ų | 44.9 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.7 | -46 | 175.6 | -178.5 | 64.8 | 0 | 0 | 0 | 111.6 | L494 T605 L606 L607 L611 V612 L613 I648 W651 | L494-L609 HydrophobicContact CD1-CD2 3.99Å; L494-L609 HydrophobicContact CD1-CG 4.24Å; L494-L609 HydrophobicContact CD2-CD2 4.19Å; T605-L609 PolarHBondContact O-N 3.26Å; L606-L609 PolarHBondContact O-N 3.27Å; L607-L609 PolarHBondContact O-N 2.95Å; L609-L611 VanDerWaalsContact C-N 3.31Å; L609-L611 PolarHBondContact O-N 3.23Å; L609-V612 PolarHBondContact O-N 3.14Å; L609-L613 HydrophobicContact CG-CD1 4.3Å; L609-L613 VanDerWaalsContact O-CG 3.29Å; L609-L613 WeakPolarHBondContact O-CG 3.38Å; L609-L613 PolarHBondContact O-N 3.05Å; L609-I648 HydrophobicContact CD1-CG1 4.41Å; L609-W651 HydrophobicContact CB-CG 4.41Å; L609-W651 HydrophobicContact CD1-CD2 4.45Å; L609-W651 HydrophobicContact CD1-CG 4.29Å; L609-W651 HydrophobicContact CD2-CD2 3.89Å; L609-W651 HydrophobicContact CD2-CE3 4.32Å; L609-W651 HydrophobicContact CD2-CG 4.36Å; L609-W651 HydrophobicContact CD2-CH2 4.18Å; L609-W651 HydrophobicContact CD2-CZ2 3.74Å; L609-W651 HydrophobicContact CD2-CZ3 4.46Å |
| 610 | S | 84.4 | Confident | 82.4 | Confident | 8 Ų | 8 | 39.9 Ų | 39.9 | 6% | 0.056 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.6 | -37.3 | 179.3 | -173.2 | 0 | 0 | 0 | 0 | 112.6 | L583 L606 L607 L613 G614 | L583-S610 WeakPolarHBondContact CD1-OG 3.07Å; L606-S610 PolarHBondContact O-N 3.21Å; L607-S610 PolarHBondContact O-N 2.65Å; S610-L613 PolarHBondContact O-N 3.35Å; S610-G614 PolarHBondContact O-N 2.62Å |
| 611 | L | 84.3 | Confident | 82.4 | Confident | 74 Ų | 74 | 38.6 Ų | 38.6 | 39% | 0.387 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65 | -45 | 173.1 | -72.4 | 169.9 | 0 | 0 | 0 | 111.6 | L583 L607 G608 L609 L613 G614 L615 | L583-L611 HydrophobicContact CD2-CD2 4.1Å; L607-L611 HydrophobicContact CD1-CD1 4.46Å; L607-L611 HydrophobicContact CD1-CG 4.42Å; L607-L611 HydrophobicContact CG-CD1 4.16Å; L607-L611 VanDerWaalsContact O-CG 3.31Å; L607-L611 WeakPolarHBondContact O-CG 3.31Å; L607-L611 PolarHBondContact O-N 2.87Å; G608-L611 PolarHBondContact O-N 3.41Å; L609-L611 VanDerWaalsContact C-N 3.31Å; L609-L611 PolarHBondContact O-N 3.23Å; L611-L613 PolarHBondContact O-N 3.28Å; L611-G614 PolarHBondContact O-N 2.76Å; L611-L615 HydrophobicContact CB-CD1 4.05Å; L611-L615 HydrophobicContact CB-CG 4.48Å; L611-L615 VanDerWaalsContact O-CB 3.28Å; L611-L615 WeakPolarHBondContact O-CB 3.49Å; L611-L615 WeakPolarHBondContact O-CD1 3.32Å; L611-L615 WeakPolarHBondContact O-CG 3.49Å; L611-L615 PolarHBondContact O-N 2.95Å |
| 612 | V | 83.9 | Confident | 82.3 | Confident | 27 Ų | 27 | 40.2 Ų | 40.2 | 16% | 0.164 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.7 | -36.1 | 176.3 | 170.9 | 0 | 0 | 0 | 0 | 111.5 | G608 L609 G614 P616 L647 | G608-V612 WeakPolarHBondContact O-CG2 3.46Å; G608-V612 PolarHBondContact O-N 3.33Å; L609-V612 PolarHBondContact O-N 3.14Å; V612-G614 VanDerWaalsContact C-N 3.31Å; V612-G614 PolarHBondContact O-N 3.06Å; V612-P616 VanDerWaalsContact O-CD 3.22Å; V612-P616 WeakPolarHBondContact O-CD 3.23Å; V612-L647 HydrophobicContact CG1-CB 4.12Å; V612-L647 HydrophobicContact CG1-CD1 3.88Å; V612-L647 HydrophobicContact CG2-CD1 4.08Å |
| 613 | L | 83.7 | Confident | 82 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.8 | -22.9 | 176.6 | -65.8 | 170.9 | 0 | 0 | 0 | 113.8 | L443 M487 E490 L494 L609 S610 L611 W617 | L443-L613 HydrophobicContact CD2-CD2 3.92Å; M487-L613 HydrophobicContact CB-CD2 4.2Å; M487-L613 HydrophobicContact CG-CD2 3.87Å; E490-L613 HydrophobicContact CB-CD1 4.18Å; E490-L613 HydrophobicContact CG-CD1 3.83Å; L494-L613 HydrophobicContact CD1-CD1 4.09Å; L609-L613 HydrophobicContact CG-CD1 4.3Å; L609-L613 VanDerWaalsContact O-CG 3.29Å; L609-L613 WeakPolarHBondContact O-CG 3.38Å; L609-L613 PolarHBondContact O-N 3.05Å; S610-L613 PolarHBondContact O-N 3.35Å; L611-L613 PolarHBondContact O-N 3.28Å; L613-W617 PolarHBondContact O-NE1 2.8Å; L613-W617 VanDerWaalsContact O-NE1 3.08Å |
| 614 | G | 81.8 | Confident | 81.3 | Confident | 14 Ų | 14 | 42.4 Ų | 42.4 | 14% | 0.144 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -108.1 | -31.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | S610 L611 V612 W617 A618 | S610-G614 PolarHBondContact O-N 2.62Å; L611-G614 PolarHBondContact O-N 2.76Å; V612-G614 VanDerWaalsContact C-N 3.31Å; V612-G614 PolarHBondContact O-N 3.06Å; G614-W617 PolarHBondContact O-N 3.13Å; G614-A618 PolarHBondContact O-N 3.03Å; G614-A618 VanDerWaalsContact O-N 3.14Å |
| 615 | L | 84.4 | Confident | 80.5 | Confident | 78 Ų | 78 | 40.4 Ų | 40.4 | 41% | 0.408 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -58.6 | -46.4 | -172.7 | -82.9 | 165.9 | 0 | 0 | 0 | 114.3 | L611 W617 A618 L619 | L611-L615 HydrophobicContact CB-CD1 4.05Å; L611-L615 HydrophobicContact CB-CG 4.48Å; L611-L615 VanDerWaalsContact O-CB 3.28Å; L611-L615 WeakPolarHBondContact O-CB 3.49Å; L611-L615 WeakPolarHBondContact O-CD1 3.32Å; L611-L615 WeakPolarHBondContact O-CG 3.49Å; L611-L615 PolarHBondContact O-N 2.95Å; L615-W617 PolarHBondContact O-N 2.85Å; L615-A618 PolarHBondContact O-N 2.91Å; L615-L619 WeakPolarHBondContact O-CG 3.19Å; L615-L619 PolarHBondContact O-N 2.87Å; L615-L619 VanDerWaalsContact O-N 3.07Å |
| 616 | P | 83.4 | Confident | 79.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55.1 | -41.2 | 178.1 | -26.2 | 34.5 | 0 | 0 | 0 | 112.4 | V612 L619 V620 F637 I640 T641 | V612-P616 VanDerWaalsContact O-CD 3.22Å; V612-P616 WeakPolarHBondContact O-CD 3.23Å; P616-L619 WeakPolarHBondContact O-CB 3.37Å; P616-L619 PolarHBondContact O-N 2.85Å; P616-V620 WeakPolarHBondContact O-CG2 3.24Å; P616-V620 PolarHBondContact O-N 2.98Å; P616-F637 HydrophobicContact CB-CD2 4Å; P616-F637 HydrophobicContact CB-CE2 4.06Å; P616-F637 VanDerWaalsContact O-CD2 3.29Å; P616-F637 WeakPolarHBondContact O-CD2 3.44Å; P616-I640 HydrophobicContact CG-CB 4.26Å; P616-I640 HydrophobicContact CG-CG2 3.62Å; P616-T641 WeakPolarHBondContact CB-OG1 3.31Å |
| 617 | W | 80.6 | Confident | 78.5 | Confident | 11 Ų | 11 | 43.8 Ų | 43.8 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -74.3 | -36 | -175.6 | -45.1 | 119 | 0 | 0 | 0 | 112 | L484 M487 F572 F576 L613 G614 L615 L619 V620 F621 F637 | L484-W617 HydrophobicContact CD2-CD2 4.28Å; L484-W617 HydrophobicContact CD2-CE3 4.39Å; L484-W617 HydrophobicContact CD2-CH2 3.53Å; L484-W617 HydrophobicContact CD2-CZ2 3.36Å; L484-W617 HydrophobicContact CD2-CZ3 4.05Å; M487-W617 HydrophobicContact CE-CZ2 3.69Å; M487-W617 HydrophobicContact SD-CZ2 3.59Å; M487-W617 VanDerWaalsContact SD-CZ2 3.59Å; M487-W617 PolarHBondContact SD-NE1 3.14Å; F572-W617 HydrophobicContact CB-CE3 4.49Å; F572-W617 HydrophobicContact CD1-CD2 4.42Å; F572-W617 AromaticContact CD1-CE3 3.63Å; F572-W617 HydrophobicContact CD1-CE3 3.63Å; F572-W617 HydrophobicContact CD1-CH2 4.1Å; F572-W617 AromaticContact CD1-CZ3 3.44Å; F572-W617 HydrophobicContact CD1-CZ3 3.44Å; F572-W617 VanDerWaalsContact CD1-CZ3 3.44Å; F572-W617 AromaticContact CE1-CE3 3.93Å; F572-W617 HydrophobicContact CE1-CE3 3.93Å; F572-W617 AromaticContact CE1-CH2 3.68Å; F572-W617 HydrophobicContact CE1-CH2 3.68Å; F572-W617 AromaticContact CE1-CZ3 3.22Å; F572-W617 HydrophobicContact CE1-CZ3 3.22Å; F572-W617 HydrophobicContact CG-CE3 4.09Å; F572-W617 HydrophobicContact CG-CZ3 4.19Å; F572-W617 HydrophobicContact CZ-CH2 4.48Å; F572-W617 AromaticContact CZ-CZ3 3.83Å; F572-W617 HydrophobicContact CZ-CZ3 3.83Å; F576-W617 HydrophobicContact CB-CB 3.96Å; F576-W617 HydrophobicContact CD2-CB 4.07Å; F576-W617 HydrophobicContact CG-CB 4.3Å; L613-W617 PolarHBondContact O-NE1 2.8Å; L613-W617 VanDerWaalsContact O-NE1 3.08Å; G614-W617 PolarHBondContact O-N 3.13Å; L615-W617 PolarHBondContact O-N 2.85Å; W617-L619 VanDerWaalsContact C-N 3.3Å; W617-L619 PolarHBondContact O-N 3.27Å; W617-V620 PolarHBondContact O-N 3.38Å; W617-F621 PolarHBondContact O-N 3.3Å; W617-F621 VanDerWaalsContact O-N 3.1Å; W617-F637 HydrophobicContact CZ3-CE2 4.29Å |
| 618 | A | 82.2 | Confident | 77.6 | Confident | 16 Ų | 16 | 47.5 Ų | 47.5 | 13% | 0.132 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.5 | -44.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | F576 G614 L615 V620 F621 F622 | F576-A618 HydrophobicContact CD2-CB 4.44Å; F576-A618 HydrophobicContact CE2-CB 3.66Å; F576-A618 HydrophobicContact CZ-CB 4.01Å; G614-A618 PolarHBondContact O-N 3.03Å; G614-A618 VanDerWaalsContact O-N 3.14Å; L615-A618 PolarHBondContact O-N 2.91Å; A618-V620 PolarHBondContact O-N 3.04Å; A618-F621 PolarHBondContact O-N 3.2Å; A618-F622 HydrophobicContact CB-CE2 4.48Å; A618-F622 WeakPolarHBondContact O-CD2 3.39Å; A618-F622 PolarHBondContact O-N 2.9Å |
| 619 | L | 84.6 | Confident | 76.9 | Confident | 31 Ų | 31 | 52.2 Ų | 52.2 | 16% | 0.162 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 178.3 | -67.2 | 174 | 0 | 0 | 0 | 111.7 | L615 P616 W617 F621 F622 S623 I633 L636 F637 I640 | L615-L619 WeakPolarHBondContact O-CG 3.19Å; L615-L619 PolarHBondContact O-N 2.87Å; L615-L619 VanDerWaalsContact O-N 3.07Å; P616-L619 WeakPolarHBondContact O-CB 3.37Å; P616-L619 PolarHBondContact O-N 2.85Å; W617-L619 VanDerWaalsContact C-N 3.3Å; W617-L619 PolarHBondContact O-N 3.27Å; L619-F621 VanDerWaalsContact C-N 3.33Å; L619-F621 PolarHBondContact O-N 3.14Å; L619-F622 PolarHBondContact O-N 3.41Å; L619-S623 WeakPolarHBondContact O-CB 3.48Å; L619-S623 PolarHBondContact O-N 2.94Å; L619-I633 HydrophobicContact CB-CG2 3.95Å; L619-I633 HydrophobicContact CD2-CG2 4.28Å; L619-I633 WeakPolarHBondContact O-CG2 3.34Å; L619-L636 HydrophobicContact CD1-CB 3.82Å; L619-F637 HydrophobicContact CB-CB 4.13Å; L619-F637 HydrophobicContact CD1-CB 4.44Å; L619-I640 HydrophobicContact CD1-CD1 3.7Å |
| 620 | V | 77.1 | Confident | 76.3 | Confident | 20 Ų | 20 | 56.5 Ų | 56.5 | 12% | 0.121 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58 | -46.3 | 175 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | L569 P616 W617 A618 F622 S623 F624 F637 | L569-V620 HydrophobicContact CD1-CG1 4.22Å; P616-V620 WeakPolarHBondContact O-CG2 3.24Å; P616-V620 PolarHBondContact O-N 2.98Å; W617-V620 PolarHBondContact O-N 3.38Å; A618-V620 PolarHBondContact O-N 3.04Å; V620-F622 PolarHBondContact O-N 2.73Å; V620-S623 VanDerWaalsContact O-CB 3.3Å; V620-S623 WeakPolarHBondContact O-CB 3.46Å; V620-S623 PolarHBondContact O-N 2.93Å; V620-F624 HydrophobicContact CG1-CD2 4.28Å; V620-F624 HydrophobicContact CG1-CE2 3.82Å; V620-F624 VanDerWaalsContact O-CD2 3.22Å; V620-F624 WeakPolarHBondContact O-CD2 3.47Å; V620-F624 PolarHBondContact O-N 2.86Å; V620-F637 HydrophobicContact CG2-CD1 4.18Å; V620-F637 HydrophobicContact CG2-CD2 3.41Å; V620-F637 VanDerWaalsContact CG2-CD2 3.41Å; V620-F637 HydrophobicContact CG2-CE1 4.03Å; V620-F637 HydrophobicContact CG2-CE2 3.22Å; V620-F637 HydrophobicContact CG2-CG 3.89Å; V620-F637 HydrophobicContact CG2-CZ 3.56Å |
| 621 | F | 77.9 | Confident | 75.9 | Confident | 118 Ų | 118 | 59.4 Ų | 59.4 | 52% | 0.518 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.4 | -45 | 179 | -173.2 | -93.8 | 0 | 0 | 0 | 112 | W617 A618 L619 S623 F624 A625 | W617-F621 PolarHBondContact O-N 3.3Å; W617-F621 VanDerWaalsContact O-N 3.1Å; A618-F621 PolarHBondContact O-N 3.2Å; L619-F621 VanDerWaalsContact C-N 3.33Å; L619-F621 PolarHBondContact O-N 3.14Å; F621-S623 VanDerWaalsContact C-N 3.3Å; F621-S623 PolarHBondContact O-N 2.87Å; F621-F624 PolarHBondContact O-N 3.43Å; F621-A625 PolarHBondContact O-N 3.25Å |
| 622 | F | 76.9 | Confident | 75.8 | Confident | 114 Ų | 114 | 60.1 Ų | 60.1 | 50% | 0.5 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.6 | -28.7 | 176.6 | -75.1 | -64.2 | 0 | 0 | 0 | 113.4 | A618 L619 V620 F624 A625 S626 I633 | A618-F622 HydrophobicContact CB-CE2 4.48Å; A618-F622 WeakPolarHBondContact O-CD2 3.39Å; A618-F622 PolarHBondContact O-N 2.9Å; L619-F622 PolarHBondContact O-N 3.41Å; V620-F622 PolarHBondContact O-N 2.73Å; F622-F624 PolarHBondContact O-N 2.81Å; F622-A625 PolarHBondContact O-N 2.83Å; F622-S626 PolarHBondContact O-N 2.86Å; F622-S626 PolarHBondContact O-OG 2.85Å; F622-I633 HydrophobicContact CB-CD1 4.21Å |
| 623 | S | 71.7 | Confident | 75.7 | Confident | 10 Ų | 10 | 59.7 Ų | 59.7 | 7% | 0.07 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.4 | -33.2 | 175.3 | -172.3 | 0 | 0 | 0 | 0 | 112.3 | L619 V620 F621 Q630 | L619-S623 WeakPolarHBondContact O-CB 3.48Å; L619-S623 PolarHBondContact O-N 2.94Å; V620-S623 VanDerWaalsContact O-CB 3.3Å; V620-S623 WeakPolarHBondContact O-CB 3.46Å; V620-S623 PolarHBondContact O-N 2.93Å; F621-S623 VanDerWaalsContact C-N 3.3Å; F621-S623 PolarHBondContact O-N 2.87Å; S623-Q630 WeakPolarHBondContact OG-CG 3.24Å |
| 624 | F | 66.8 | Low | 75.5 | Confident | 125 Ų | 125 | 62.4 Ų | 62.4 | 55% | 0.548 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -79.2 | -29.8 | 176.2 | -74.1 | -72.5 | 0 | 0 | 0 | 112.8 | Y565 L569 V620 F621 F622 | Y565-F624 HydrophobicContact CE1-CE1 4.18Å; Y565-F624 HydrophobicContact CE1-CZ 4.13Å; L569-F624 HydrophobicContact CD1-CD2 4.43Å; L569-F624 HydrophobicContact CD1-CE2 3.9Å; L569-F624 HydrophobicContact CD2-CE2 4.09Å; L569-F624 HydrophobicContact CD2-CZ 4.31Å; V620-F624 HydrophobicContact CG1-CD2 4.28Å; V620-F624 HydrophobicContact CG1-CE2 3.82Å; V620-F624 VanDerWaalsContact O-CD2 3.22Å; V620-F624 WeakPolarHBondContact O-CD2 3.47Å; V620-F624 PolarHBondContact O-N 2.86Å; F621-F624 PolarHBondContact O-N 3.43Å; F622-F624 PolarHBondContact O-N 2.81Å |
| 625 | A | 67.1 | Low | 75.7 | Confident | 76 Ų | 76 | 64.5 Ų | 64.5 | 63% | 0.628 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -80.5 | -28.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | F621 F622 | F621-A625 PolarHBondContact O-N 3.25Å; F622-A625 PolarHBondContact O-N 2.83Å |
| 626 | S | 63.5 | Low | 75.8 | Confident | 39 Ų | 39 | 64.7 Ų | 64.7 | 27% | 0.273 | 36% | 0.356 | S | S | . | . | trans | -114.9 | 92.7 | -170.7 | -57 | 0 | 0 | 0 | 0 | 112.3 | F622 T628 F629 Q630 | F622-S626 PolarHBondContact O-N 2.86Å; F622-S626 PolarHBondContact O-OG 2.85Å; S626-T628 VanDerWaalsContact C-N 3.29Å; S626-T628 PolarHBondContact O-N 2.75Å; S626-F629 PolarHBondContact O-N 2.83Å; S626-Q630 PolarHBondContact O-N 3.42Å; S626-Q630 VanDerWaalsContact O-N 3.15Å | ||
| 627 | G | 59.1 | Low | 75.9 | Confident | 67 Ų | 67 | 67.1 Ų | 67.1 | 69% | 0.691 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -34.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 628 | T | 66.3 | Low | 76.1 | Confident | 132 Ų | 132 | 67 Ų | 67 | 81% | 0.81 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -31.4 | -176.5 | -40.2 | 0 | 0 | 0 | 0 | 113.7 | S626 | S626-T628 VanDerWaalsContact C-N 3.29Å; S626-T628 PolarHBondContact O-N 2.75Å |
| 629 | F | 70.1 | Confident | 76.3 | Confident | 130 Ų | 130 | 69.6 Ų | 69.6 | 57% | 0.57 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | 5.5 | -174.9 | -62.3 | -72.1 | 0 | 0 | 0 | 113.7 | S626 L631 V632 I633 | S626-F629 PolarHBondContact O-N 2.83Å; F629-L631 PolarHBondContact O-N 3.39Å; F629-L631 VanDerWaalsContact O-N 3.12Å; F629-V632 PolarHBondContact O-N 2.77Å; F629-V632 VanDerWaalsContact O-N 3.09Å; F629-I633 HydrophobicContact CB-CD1 4.08Å; F629-I633 HydrophobicContact CB-CG1 4.4Å; F629-I633 WeakPolarHBondContact O-CG1 3.12Å; F629-I633 PolarHBondContact O-N 2.04Å |
| 630 | Q | 72.9 | Confident | 76.3 | Confident | 95 Ų | 95 | 69.9 Ų | 69.9 | 44% | 0.444 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -48.2 | -44.6 | -177.4 | -174.2 | -179.9 | -12.8 | 0 | 0 | 112 | S623 S626 I633 L634 | S623-Q630 WeakPolarHBondContact OG-CG 3.24Å; S626-Q630 PolarHBondContact O-N 3.42Å; S626-Q630 VanDerWaalsContact O-N 3.15Å; Q630-I633 PolarHBondContact O-N 3.44Å; Q630-L634 HydrophobicContact CG-CD1 4.01Å; Q630-L634 HydrophobicContact CG-CG 4.45Å; Q630-L634 WeakPolarHBondContact O-CB 3.34Å; Q630-L634 VanDerWaalsContact O-CG 3.22Å; Q630-L634 WeakPolarHBondContact O-CG 3.24Å; Q630-L634 PolarHBondContact O-N 2.91Å |
| 631 | L | 75.1 | Confident | 76.7 | Confident | 70 Ų | 70 | 70.5 Ų | 70.5 | 37% | 0.366 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.1 | -49.9 | -179.1 | -171.5 | 70.1 | 0 | 0 | 0 | 112.6 | H399 F629 I633 L634 Y635 | H399-L631 HydrophobicContact CB-CD1 3.77Å; H399-L631 WeakPolarHBondContact NE2-CD2 3.08Å; F629-L631 PolarHBondContact O-N 3.39Å; F629-L631 VanDerWaalsContact O-N 3.12Å; L631-I633 VanDerWaalsContact C-N 3.29Å; L631-I633 PolarHBondContact O-N 2.89Å; L631-L634 PolarHBondContact O-N 2.84Å; L631-Y635 HydrophobicContact CD1-CD2 4.4Å; L631-Y635 HydrophobicContact CD1-CE2 3.96Å; L631-Y635 HydrophobicContact CG-CD2 4.23Å; L631-Y635 HydrophobicContact CG-CE2 4.07Å; L631-Y635 WeakPolarHBondContact O-CD2 3.4Å; L631-Y635 PolarHBondContact O-N 2.59Å; L631-Y635 VanDerWaalsContact O-N 3.11Å |
| 632 | V | 81.7 | Confident | 77.1 | Confident | 88 Ų | 88 | 65.1 Ų | 65.1 | 53% | 0.533 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.9 | -42.1 | -179.5 | -179.4 | 0 | 0 | 0 | 0 | 110.3 | F629 L634 Y635 L636 | F629-V632 PolarHBondContact O-N 2.77Å; F629-V632 VanDerWaalsContact O-N 3.09Å; V632-L634 VanDerWaalsContact C-N 3.34Å; V632-L634 PolarHBondContact O-N 3.02Å; V632-Y635 PolarHBondContact O-N 2.86Å; V632-L636 HydrophobicContact CG1-CD1 4.34Å; V632-L636 WeakPolarHBondContact O-CG 3.49Å; V632-L636 PolarHBondContact O-N 3.41Å; V632-L636 VanDerWaalsContact O-N 3.08Å |
| 633 | I | 81.8 | Confident | 77.6 | Confident | 19 Ų | 19 | 62.2 Ų | 62.2 | 10% | 0.097 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.6 | -40.3 | 178.7 | -63.8 | 170.3 | 0 | 0 | 0 | 110.9 | L619 F622 F629 Q630 L631 L636 F637 | L619-I633 HydrophobicContact CB-CG2 3.95Å; L619-I633 HydrophobicContact CD2-CG2 4.28Å; L619-I633 WeakPolarHBondContact O-CG2 3.34Å; F622-I633 HydrophobicContact CB-CD1 4.21Å; F629-I633 HydrophobicContact CB-CD1 4.08Å; F629-I633 HydrophobicContact CB-CG1 4.4Å; F629-I633 WeakPolarHBondContact O-CG1 3.12Å; F629-I633 PolarHBondContact O-N 2.04Å; Q630-I633 PolarHBondContact O-N 3.44Å; L631-I633 VanDerWaalsContact C-N 3.29Å; L631-I633 PolarHBondContact O-N 2.89Å; I633-L636 PolarHBondContact O-N 2.83Å; I633-F637 VanDerWaalsContact O-CB 3.29Å; I633-F637 WeakPolarHBondContact O-CB 3.46Å; I633-F637 PolarHBondContact O-N 2.83Å |
| 634 | L | 80.3 | Confident | 78.2 | Confident | 57 Ų | 57 | 62 Ų | 62 | 30% | 0.298 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.2 | -39.5 | 176.4 | -73.9 | 170.5 | 0 | 0 | 0 | 112.8 | L403 Q630 L631 V632 S638 | L403-L634 HydrophobicContact CD1-CB 4.45Å; Q630-L634 HydrophobicContact CG-CD1 4.01Å; Q630-L634 HydrophobicContact CG-CG 4.45Å; Q630-L634 WeakPolarHBondContact O-CB 3.34Å; Q630-L634 VanDerWaalsContact O-CG 3.22Å; Q630-L634 WeakPolarHBondContact O-CG 3.24Å; Q630-L634 PolarHBondContact O-N 2.91Å; L631-L634 PolarHBondContact O-N 2.84Å; V632-L634 VanDerWaalsContact C-N 3.34Å; V632-L634 PolarHBondContact O-N 3.02Å; L634-S638 WeakPolarHBondContact O-CB 3.44Å; L634-S638 PolarHBondContact O-N 3.05Å |
| 635 | Y | 85.7 | Confident | 79 | Confident | 58 Ų | 58 | 56 Ų | 56 | 23% | 0.227 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63 | -47.7 | 173.4 | -87.3 | -86.9 | 0 | 0 | 0 | 111.7 | H399 L403 L406 L631 V632 F637 S638 I639 | H399-Y635 HydrophobicContact CB-CE2 4.36Å; H399-Y635 AromaticContact ND1-CE2 3.88Å; H399-Y635 AromaticContact ND1-CZ 3.9Å; H399-Y635 PolarHBondContact ND1-OH 3.45Å; L403-Y635 HydrophobicContact CD2-CD1 3.73Å; L403-Y635 HydrophobicContact CD2-CD2 4.12Å; L403-Y635 HydrophobicContact CD2-CE1 3.94Å; L403-Y635 HydrophobicContact CD2-CE2 4.28Å; L403-Y635 HydrophobicContact CD2-CG 3.82Å; L403-Y635 HydrophobicContact CG-CD1 4.48Å; L403-Y635 HydrophobicContact CG-CE1 4.21Å; L403-Y635 HydrophobicContact CG-CE2 4.31Å; L406-Y635 HydrophobicContact CD2-CD1 4.28Å; L631-Y635 HydrophobicContact CD1-CD2 4.4Å; L631-Y635 HydrophobicContact CD1-CE2 3.96Å; L631-Y635 HydrophobicContact CG-CD2 4.23Å; L631-Y635 HydrophobicContact CG-CE2 4.07Å; L631-Y635 WeakPolarHBondContact O-CD2 3.4Å; L631-Y635 PolarHBondContact O-N 2.59Å; L631-Y635 VanDerWaalsContact O-N 3.11Å; V632-Y635 PolarHBondContact O-N 2.86Å; Y635-F637 VanDerWaalsContact C-N 3.35Å; Y635-F637 PolarHBondContact O-N 2.85Å; Y635-S638 PolarHBondContact O-N 3.19Å; Y635-I639 VanDerWaalsContact O-CG1 3.26Å; Y635-I639 WeakPolarHBondContact O-CG1 3.26Å; Y635-I639 PolarHBondContact O-N 2.87Å |
| 636 | L | 86.6 | Confident | 80 | Confident | 83 Ų | 83 | 55.6 Ų | 55.6 | 44% | 0.435 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 178.4 | -69.1 | 174.7 | 0 | 0 | 0 | 111.6 | L619 V632 I633 I639 I640 | L619-L636 HydrophobicContact CD1-CB 3.82Å; V632-L636 HydrophobicContact CG1-CD1 4.34Å; V632-L636 WeakPolarHBondContact O-CG 3.49Å; V632-L636 PolarHBondContact O-N 3.41Å; V632-L636 VanDerWaalsContact O-N 3.08Å; I633-L636 PolarHBondContact O-N 2.83Å; L636-I639 PolarHBondContact O-N 2.79Å; L636-I640 VanDerWaalsContact O-CG1 3.29Å; L636-I640 WeakPolarHBondContact O-CG1 3.11Å; L636-I640 PolarHBondContact O-N 3.03Å |
| 637 | F | 85.7 | Confident | 81.1 | Confident | 50 Ų | 50 | 56.7 Ų | 56.7 | 22% | 0.219 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.3 | -50.9 | 175.5 | 167.2 | -111.6 | 0 | 0 | 0 | 111.4 | P616 W617 L619 V620 I633 Y635 I639 I640 T641 | P616-F637 HydrophobicContact CB-CD2 4Å; P616-F637 HydrophobicContact CB-CE2 4.06Å; P616-F637 VanDerWaalsContact O-CD2 3.29Å; P616-F637 WeakPolarHBondContact O-CD2 3.44Å; W617-F637 HydrophobicContact CZ3-CE2 4.29Å; L619-F637 HydrophobicContact CB-CB 4.13Å; L619-F637 HydrophobicContact CD1-CB 4.44Å; V620-F637 HydrophobicContact CG2-CD1 4.18Å; V620-F637 HydrophobicContact CG2-CD2 3.41Å; V620-F637 VanDerWaalsContact CG2-CD2 3.41Å; V620-F637 HydrophobicContact CG2-CE1 4.03Å; V620-F637 HydrophobicContact CG2-CE2 3.22Å; V620-F637 HydrophobicContact CG2-CG 3.89Å; V620-F637 HydrophobicContact CG2-CZ 3.56Å; I633-F637 VanDerWaalsContact O-CB 3.29Å; I633-F637 WeakPolarHBondContact O-CB 3.46Å; I633-F637 PolarHBondContact O-N 2.83Å; Y635-F637 VanDerWaalsContact C-N 3.35Å; Y635-F637 PolarHBondContact O-N 2.85Å; F637-I639 PolarHBondContact O-N 2.81Å; F637-I640 PolarHBondContact O-N 2.9Å; F637-T641 WeakPolarHBondContact CE2-OG1 3.34Å; F637-T641 WeakPolarHBondContact O-CB 3.09Å; F637-T641 PolarHBondContact O-N 2.88Å; F637-T641 PolarHBondContact O-OG1 2.81Å |
| 638 | S | 84.4 | Confident | 82.2 | Confident | 9 Ų | 9 | 53.5 Ų | 53.5 | 6% | 0.063 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58 | -45.5 | 178.5 | 174.2 | 0 | 0 | 0 | 0 | 111.8 | S407 L634 Y635 S642 | S407-S638 PolarHBondContact OG-OG 2.83Å; L634-S638 WeakPolarHBondContact O-CB 3.44Å; L634-S638 PolarHBondContact O-N 3.05Å; Y635-S638 PolarHBondContact O-N 3.19Å; S638-S642 WeakPolarHBondContact O-CB 3.4Å; S638-S642 PolarHBondContact O-N 3.11Å; S638-S642 PolarHBondContact O-OG 3.12Å |
| 639 | I | 86.9 | Confident | 83.1 | Confident | 70 Ų | 70 | 48.9 Ų | 48.9 | 36% | 0.359 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.8 | -52.8 | 177.4 | -66.7 | 164.6 | 0 | 0 | 0 | 110.9 | L406 Y635 L636 F637 T641 F643 | L406-I639 HydrophobicContact CD1-CG1 4.4Å; L406-I639 HydrophobicContact CD2-CD1 4.25Å; L406-I639 HydrophobicContact CD2-CG1 3.55Å; L406-I639 HydrophobicContact CG-CG1 4.28Å; Y635-I639 VanDerWaalsContact O-CG1 3.26Å; Y635-I639 WeakPolarHBondContact O-CG1 3.26Å; Y635-I639 PolarHBondContact O-N 2.87Å; L636-I639 PolarHBondContact O-N 2.79Å; F637-I639 PolarHBondContact O-N 2.81Å; I639-T641 PolarHBondContact O-N 2.91Å; I639-F643 HydrophobicContact CG2-CD2 4.34Å; I639-F643 WeakPolarHBondContact O-CB 3.47Å; I639-F643 VanDerWaalsContact O-CD2 3.3Å; I639-F643 WeakPolarHBondContact O-CD2 3.48Å; I639-F643 PolarHBondContact O-N 3.45Å; I639-F643 VanDerWaalsContact O-N 3.09Å |
| 640 | I | 85.1 | Confident | 83.9 | Confident | 37 Ų | 37 | 46.7 Ų | 46.7 | 19% | 0.19 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68 | -40.8 | -173.2 | -58.2 | 170.8 | 0 | 0 | 0 | 110.7 | P616 L619 L636 F637 Q644 | P616-I640 HydrophobicContact CG-CB 4.26Å; P616-I640 HydrophobicContact CG-CG2 3.62Å; L619-I640 HydrophobicContact CD1-CD1 3.7Å; L636-I640 VanDerWaalsContact O-CG1 3.29Å; L636-I640 WeakPolarHBondContact O-CG1 3.11Å; L636-I640 PolarHBondContact O-N 3.03Å; F637-I640 PolarHBondContact O-N 2.9Å; I640-Q644 PolarHBondContact O-N 2.81Å; I640-Q644 VanDerWaalsContact O-N 3.16Å |
| 641 | T | 84.8 | Confident | 84.5 | Confident | 33 Ų | 33 | 43.2 Ų | 43.2 | 20% | 0.202 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.6 | -46.4 | 177.8 | -67.2 | 0 | 0 | 0 | 0 | 111.9 | P616 F637 I639 F643 Q644 | P616-T641 WeakPolarHBondContact CB-OG1 3.31Å; F637-T641 WeakPolarHBondContact CE2-OG1 3.34Å; F637-T641 WeakPolarHBondContact O-CB 3.09Å; F637-T641 PolarHBondContact O-N 2.88Å; F637-T641 PolarHBondContact O-OG1 2.81Å; I639-T641 PolarHBondContact O-N 2.91Å; T641-F643 VanDerWaalsContact C-N 3.29Å; T641-F643 PolarHBondContact O-N 2.84Å; T641-Q644 WeakPolarHBondContact O-CB 3.49Å; T641-Q644 PolarHBondContact O-N 2.89Å; T641-Q644 VanDerWaalsContact O-N 3.16Å |
| 642 | S | 86.3 | Confident | 84.8 | Confident | 6 Ų | 6 | 40.3 Ų | 40.3 | 4% | 0.042 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70.6 | -25.3 | -177.1 | -58.6 | 0 | 0 | 0 | 0 | 113.2 | S407 G410 S414 S638 | S407-S642 VanDerWaalsContact CA-OG 3.29Å; S407-S642 WeakPolarHBondContact CA-OG 3.41Å; G410-S642 CarbonylContact C-O 3.56Å; G410-S642 VanDerWaalsContact O-O 3.04Å; S414-S642 WeakPolarHBondContact CB-O 3.46Å; S638-S642 WeakPolarHBondContact O-CB 3.4Å; S638-S642 PolarHBondContact O-N 3.11Å; S638-S642 PolarHBondContact O-OG 3.12Å |
| 643 | F | 86.8 | Confident | 85 | Confident | 52 Ų | 52 | 40.8 Ų | 40.8 | 23% | 0.228 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 8.1 | 173.8 | -75.7 | -90.9 | 0 | 0 | 0 | 113.5 | I413 I639 T641 G645 F646 L647 | I413-F643 HydrophobicContact CB-CE1 4.4Å; I413-F643 HydrophobicContact CD1-CE1 3.76Å; I413-F643 HydrophobicContact CD1-CZ 4.02Å; I413-F643 HydrophobicContact CG2-CD1 4.49Å; I413-F643 HydrophobicContact CG2-CE1 4.22Å; I639-F643 HydrophobicContact CG2-CD2 4.34Å; I639-F643 WeakPolarHBondContact O-CB 3.47Å; I639-F643 VanDerWaalsContact O-CD2 3.3Å; I639-F643 WeakPolarHBondContact O-CD2 3.48Å; I639-F643 PolarHBondContact O-N 3.45Å; I639-F643 VanDerWaalsContact O-N 3.09Å; T641-F643 VanDerWaalsContact C-N 3.29Å; T641-F643 PolarHBondContact O-N 2.84Å; F643-G645 PolarHBondContact O-N 3.4Å; F643-F646 HydrophobicContact CD1-CB 4.39Å; F643-F646 HydrophobicContact CD1-CD1 4.29Å; F643-F646 WeakPolarHBondContact O-CB 3.45Å; F643-F646 PolarHBondContact O-N 2.94Å; F643-L647 WeakPolarHBondContact O-CG 3.16Å; F643-L647 PolarHBondContact O-N 2.84Å |
| 644 | Q | 85.1 | Confident | 85 | Confident | 6 Ų | 6 | 42 Ų | 42 | 3% | 0.028 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.3 | -45.5 | -172.8 | -175.8 | 171 | -2.3 | 0 | 0 | 112.9 | M487 I640 T641 F646 L647 I648 | M487-Q644 VanDerWaalsContact CE-CD 3.45Å; M487-Q644 PolarHBondContact SD-NE2 3.22Å; I640-Q644 PolarHBondContact O-N 2.81Å; I640-Q644 VanDerWaalsContact O-N 3.16Å; T641-Q644 WeakPolarHBondContact O-CB 3.49Å; T641-Q644 PolarHBondContact O-N 2.89Å; T641-Q644 VanDerWaalsContact O-N 3.16Å; Q644-F646 VanDerWaalsContact C-N 3.28Å; Q644-F646 PolarHBondContact O-N 2.85Å; Q644-L647 PolarHBondContact O-N 2.8Å; Q644-I648 HydrophobicContact CG-CD1 3.95Å; Q644-I648 WeakPolarHBondContact O-CB 3.5Å; Q644-I648 VanDerWaalsContact O-CG1 3.22Å; Q644-I648 WeakPolarHBondContact O-CG1 3.3Å; Q644-I648 PolarHBondContact O-N 3.37Å |
| 645 | G | 84.5 | Confident | 84.7 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.5 | -32.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | S414 F643 I648 F649 | S414-G645 VanDerWaalsContact OG-CA 3.26Å; S414-G645 WeakPolarHBondContact OG-CA 3.33Å; S414-G645 PolarHBondContact OG-N 3.29Å; F643-G645 PolarHBondContact O-N 3.4Å; G645-I648 PolarHBondContact O-N 3.44Å; G645-F649 WeakPolarHBondContact O-CB 3.46Å; G645-F649 PolarHBondContact O-N 2.93Å |
| 646 | F | 87.7 | Confident | 84.3 | Confident | 67 Ų | 67 | 42.5 Ų | 42.5 | 29% | 0.294 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -69 | -42.5 | 174.5 | 178.8 | -102.8 | 0 | 0 | 0 | 112.4 | I413 A417 F643 Q644 I648 F649 L650 | I413-F646 HydrophobicContact CG2-CB 4.39Å; I413-F646 HydrophobicContact CG2-CD2 4.03Å; I413-F646 HydrophobicContact CG2-CG 4.27Å; A417-F646 HydrophobicContact CB-CD2 4.19Å; F643-F646 HydrophobicContact CD1-CB 4.39Å; F643-F646 HydrophobicContact CD1-CD1 4.29Å; F643-F646 WeakPolarHBondContact O-CB 3.45Å; F643-F646 PolarHBondContact O-N 2.94Å; Q644-F646 VanDerWaalsContact C-N 3.28Å; Q644-F646 PolarHBondContact O-N 2.85Å; F646-I648 VanDerWaalsContact C-N 3.3Å; F646-I648 PolarHBondContact O-N 3.14Å; F646-F649 HydrophobicContact CD2-CD1 4.12Å; F646-F649 HydrophobicContact CE2-CD1 4.16Å; F646-F649 HydrophobicContact CE2-CE1 4.44Å; F646-F649 WeakPolarHBondContact O-CB 3.5Å; F646-F649 PolarHBondContact O-N 2.91Å; F646-L650 HydrophobicContact CD1-CD1 4.18Å; F646-L650 HydrophobicContact CE1-CD1 3.6Å; F646-L650 HydrophobicContact CE1-CG 4.09Å; F646-L650 HydrophobicContact CZ-CD1 4Å; F646-L650 HydrophobicContact CZ-CD2 4.13Å; F646-L650 HydrophobicContact CZ-CG 4.12Å; F646-L650 WeakPolarHBondContact O-CG 3.13Å; F646-L650 PolarHBondContact O-N 3.39Å |
| 647 | L | 86.4 | Confident | 83.9 | Confident | 62 Ų | 62 | 44 Ų | 44 | 33% | 0.325 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.5 | -39.6 | 175.1 | -65.6 | 176.5 | 0 | 0 | 0 | 111.7 | V612 F643 Q644 L650 W651 | V612-L647 HydrophobicContact CG1-CB 4.12Å; V612-L647 HydrophobicContact CG1-CD1 3.88Å; V612-L647 HydrophobicContact CG2-CD1 4.08Å; F643-L647 WeakPolarHBondContact O-CG 3.16Å; F643-L647 PolarHBondContact O-N 2.84Å; Q644-L647 PolarHBondContact O-N 2.8Å; L647-L650 PolarHBondContact O-N 2.73Å; L647-W651 PolarHBondContact O-N 2.84Å; L647-W651 VanDerWaalsContact O-N 3.09Å |
| 648 | I | 82.2 | Confident | 83.3 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.5 | -42.9 | 174.5 | -71.9 | 174.1 | 0 | 0 | 0 | 110.9 | H440 L443 L444 V447 L609 Q644 G645 F646 W651 Y652 | H440-I648 WeakPolarHBondContact CE1-CG2 3.18Å; H440-I648 WeakPolarHBondContact NE2-CG2 3.4Å; L443-I648 HydrophobicContact CD2-CD1 3.98Å; L443-I648 HydrophobicContact CG-CD1 4.33Å; L444-I648 HydrophobicContact CD1-CG2 3.96Å; V447-I648 HydrophobicContact CG2-CD1 4.47Å; L609-I648 HydrophobicContact CD1-CG1 4.41Å; Q644-I648 HydrophobicContact CG-CD1 3.95Å; Q644-I648 WeakPolarHBondContact O-CB 3.5Å; Q644-I648 VanDerWaalsContact O-CG1 3.22Å; Q644-I648 WeakPolarHBondContact O-CG1 3.3Å; Q644-I648 PolarHBondContact O-N 3.37Å; G645-I648 PolarHBondContact O-N 3.44Å; F646-I648 VanDerWaalsContact C-N 3.3Å; F646-I648 PolarHBondContact O-N 3.14Å; I648-W651 WeakPolarHBondContact O-CB 3.4Å; I648-W651 PolarHBondContact O-N 2.99Å; I648-Y652 PolarHBondContact O-N 2.84Å |
| 649 | F | 85.5 | Confident | 82.5 | Confident | 34 Ų | 34 | 48.6 Ų | 48.6 | 15% | 0.149 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.6 | -47.2 | 173.7 | 160.5 | -112.3 | 0 | 0 | 0 | 112.6 | A417 F420 T421 G645 F646 W651 Y652 W653 | A417-F649 HydrophobicContact CB-CB 3.93Å; A417-F649 HydrophobicContact CB-CD1 4.16Å; A417-F649 HydrophobicContact CB-CG 4.08Å; F420-F649 HydrophobicContact CD1-CD2 4.41Å; F420-F649 AromaticContact CD1-CE2 3.56Å; F420-F649 HydrophobicContact CD1-CE2 3.56Å; F420-F649 HydrophobicContact CD1-CZ 4.06Å; F420-F649 AromaticContact CE1-CE2 3.83Å; F420-F649 HydrophobicContact CE1-CE2 3.83Å; F420-F649 HydrophobicContact CE1-CZ 4.18Å; T421-F649 WeakPolarHBondContact OG1-CD2 3.28Å; G645-F649 WeakPolarHBondContact O-CB 3.46Å; G645-F649 PolarHBondContact O-N 2.93Å; F646-F649 HydrophobicContact CD2-CD1 4.12Å; F646-F649 HydrophobicContact CE2-CD1 4.16Å; F646-F649 HydrophobicContact CE2-CE1 4.44Å; F646-F649 WeakPolarHBondContact O-CB 3.5Å; F646-F649 PolarHBondContact O-N 2.91Å; F649-W651 VanDerWaalsContact C-N 3.26Å; F649-W651 PolarHBondContact O-N 3.46Å; F649-Y652 PolarHBondContact O-N 2.91Å; F649-W653 PolarHBondContact O-N 2.89Å |
| 650 | L | 86.2 | Confident | 81.3 | Confident | 84 Ų | 84 | 51.9 Ų | 51.9 | 44% | 0.44 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.9 | -40.4 | 176.8 | -69.7 | -179.8 | 0 | 0 | 0 | 111.5 | F646 L647 W653 S654 | F646-L650 HydrophobicContact CD1-CD1 4.18Å; F646-L650 HydrophobicContact CE1-CD1 3.6Å; F646-L650 HydrophobicContact CE1-CG 4.09Å; F646-L650 HydrophobicContact CZ-CD1 4Å; F646-L650 HydrophobicContact CZ-CD2 4.13Å; F646-L650 HydrophobicContact CZ-CG 4.12Å; F646-L650 WeakPolarHBondContact O-CG 3.13Å; F646-L650 PolarHBondContact O-N 3.39Å; L647-L650 PolarHBondContact O-N 2.73Å; L650-W653 PolarHBondContact O-N 2.82Å; L650-S654 VanDerWaalsContact O-CB 3.29Å; L650-S654 WeakPolarHBondContact O-CB 3.26Å; L650-S654 PolarHBondContact O-N 2.91Å |
| 651 | W | 84.6 | Confident | 79.7 | Confident | 23 Ų | 23 | 53.2 Ų | 53.2 | 9% | 0.087 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62 | -47.1 | 174.9 | 176.5 | 89.5 | 0 | 0 | 0 | 112.1 | T436 H440 T605 L609 L647 I648 F649 W653 S654 M655 | T436-W651 HydrophobicContact CG2-CH2 4.37Å; H440-W651 AromaticContact CD2-CZ3 3.9Å; H440-W651 AromaticContact CE1-CE3 3.17Å; H440-W651 AromaticContact CE1-CZ3 3.23Å; H440-W651 WeakPolarHBondContact CE1-CZ3 3.42Å; H440-W651 AromaticContact CG-CZ3 3.81Å; H440-W651 AromaticContact ND1-CE3 3.87Å; H440-W651 AromaticContact ND1-CZ3 3.43Å; H440-W651 WeakPolarHBondContact ND1-CZ3 3.09Å; H440-W651 AromaticContact NE2-CE3 3.42Å; H440-W651 AromaticContact NE2-CZ3 3.53Å; T605-W651 PolarHBondContact O-NE1 3.4Å; L609-W651 HydrophobicContact CB-CG 4.41Å; L609-W651 HydrophobicContact CD1-CD2 4.45Å; L609-W651 HydrophobicContact CD1-CG 4.29Å; L609-W651 HydrophobicContact CD2-CD2 3.89Å; L609-W651 HydrophobicContact CD2-CE3 4.32Å; L609-W651 HydrophobicContact CD2-CG 4.36Å; L609-W651 HydrophobicContact CD2-CH2 4.18Å; L609-W651 HydrophobicContact CD2-CZ2 3.74Å; L609-W651 HydrophobicContact CD2-CZ3 4.46Å; L647-W651 PolarHBondContact O-N 2.84Å; L647-W651 VanDerWaalsContact O-N 3.09Å; I648-W651 WeakPolarHBondContact O-CB 3.4Å; I648-W651 PolarHBondContact O-N 2.99Å; F649-W651 VanDerWaalsContact C-N 3.26Å; F649-W651 PolarHBondContact O-N 3.46Å; W651-W653 VanDerWaalsContact C-N 3.31Å; W651-W653 PolarHBondContact O-N 2.82Å; W651-S654 PolarHBondContact O-N 2.7Å; W651-M655 HydrophobicContact CD2-CG 4.01Å; W651-M655 HydrophobicContact CE3-CG 4.47Å; W651-M655 HydrophobicContact CH2-CE 4.34Å; W651-M655 HydrophobicContact CH2-CG 4.29Å; W651-M655 HydrophobicContact CZ2-CE 3.91Å; W651-M655 HydrophobicContact CZ2-CG 3.78Å; W651-M655 HydrophobicContact CZ2-SD 4.21Å; W651-M655 WeakPolarHBondContact O-CB 3.43Å; W651-M655 WeakPolarHBondContact O-CG 3.33Å; W651-M655 PolarHBondContact O-N 2.96Å |
| 652 | Y | 83.2 | Confident | 77.7 | Confident | 8 Ų | 8 | 54.1 Ų | 54.1 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.8 | -45.4 | 179 | 176.9 | -95.5 | 0 | 0 | 0 | 111.7 | T421 I437 M441 I648 F649 M655 R656 | T421-Y652 HydrophobicContact CG2-CD1 3.71Å; T421-Y652 HydrophobicContact CG2-CD2 4.37Å; T421-Y652 HydrophobicContact CG2-CE1 4.16Å; T421-Y652 HydrophobicContact CG2-CG 3.83Å; I437-Y652 HydrophobicContact CG2-CE2 4.37Å; M441-Y652 HydrophobicContact CE-CD2 3.94Å; M441-Y652 HydrophobicContact CE-CE2 3.81Å; I648-Y652 PolarHBondContact O-N 2.84Å; F649-Y652 PolarHBondContact O-N 2.91Å; Y652-M655 PolarHBondContact O-N 3.31Å; Y652-R656 HydrophobicContact CD1-CG 4.35Å; Y652-R656 HydrophobicContact CE1-CG 3.8Å; Y652-R656 WeakPolarHBondContact O-CB 3.43Å; Y652-R656 PolarHBondContact O-N 3.44Å; Y652-R656 PolarHBondContact OH-NE 3.18Å; Y652-R656 PolarHBondContact OH-NH2 2.95Å |
| 653 | W | 84.1 | Confident | 75.3 | Confident | 99 Ų | 99 | 59.9 Ų | 59.9 | 38% | 0.375 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -71.4 | -38.2 | -178.2 | -156.8 | -111.2 | 0 | 0 | 0 | 112.1 | F420 F649 L650 W651 M655 R656 F657 | F420-W653 HydrophobicContact CE1-CZ3 4.5Å; F649-W653 PolarHBondContact O-N 2.89Å; L650-W653 PolarHBondContact O-N 2.82Å; W651-W653 VanDerWaalsContact C-N 3.31Å; W651-W653 PolarHBondContact O-N 2.82Å; W653-M655 PolarHBondContact O-N 2.83Å; W653-R656 WeakPolarHBondContact O-CB 3.36Å; W653-R656 PolarHBondContact O-N 2.77Å; W653-F657 AromaticContact CD1-CD2 3.53Å; W653-F657 AromaticContact CD1-CE2 2.99Å; W653-F657 AromaticContact CD1-CZ 3.63Å; W653-F657 AromaticContact CE2-CE2 3.87Å; W653-F657 AromaticContact CE2-CZ 3.65Å; W653-F657 HydrophobicContact CG-CD2 4.28Å; W653-F657 HydrophobicContact CG-CE2 4.04Å; W653-F657 HydrophobicContact CZ2-CE1 4.45Å; W653-F657 HydrophobicContact CZ2-CZ 4.1Å; W653-F657 AromaticContact NE1-CD2 3.77Å; W653-F657 AromaticContact NE1-CE1 3.93Å; W653-F657 AromaticContact NE1-CE2 2.86Å; W653-F657 AromaticContact NE1-CZ 2.95Å; W653-F657 VanDerWaalsContact O-CD2 3.32Å; W653-F657 WeakPolarHBondContact O-CD2 3.08Å; W653-F657 WeakPolarHBondContact O-CG 3.46Å; W653-F657 PolarHBondContact O-N 3.48Å |
| 654 | S | 81.7 | Confident | 72.8 | Confident | 43 Ų | 43 | 62.5 Ų | 62.5 | 30% | 0.301 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.9 | -47.3 | 170.5 | 173.9 | 0 | 0 | 0 | 0 | 111.6 | L650 W651 R656 F657 Q658 | L650-S654 VanDerWaalsContact O-CB 3.29Å; L650-S654 WeakPolarHBondContact O-CB 3.26Å; L650-S654 PolarHBondContact O-N 2.91Å; W651-S654 PolarHBondContact O-N 2.7Å; S654-R656 PolarHBondContact O-N 3.34Å; S654-F657 PolarHBondContact O-N 2.7Å; S654-Q658 WeakPolarHBondContact O-CG 3.29Å; S654-Q658 PolarHBondContact O-N 2.87Å; S654-Q658 PolarHBondContact OG-NE2 2.92Å |
| 655 | M | 76.1 | Confident | 70.3 | Confident | 46 Ų | 46 | 67.4 Ų | 67.4 | 23% | 0.227 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 177.3 | -74 | -77 | -72.9 | 0 | 0 | 112.1 | H602 W651 Y652 W653 F657 Q658 A659 | H602-M655 WeakPolarHBondContact CE1-CE 3.41Å; H602-M655 VanDerWaalsContact CE1-SD 3.53Å; W651-M655 HydrophobicContact CD2-CG 4.01Å; W651-M655 HydrophobicContact CE3-CG 4.47Å; W651-M655 HydrophobicContact CH2-CE 4.34Å; W651-M655 HydrophobicContact CH2-CG 4.29Å; W651-M655 HydrophobicContact CZ2-CE 3.91Å; W651-M655 HydrophobicContact CZ2-CG 3.78Å; W651-M655 HydrophobicContact CZ2-SD 4.21Å; W651-M655 WeakPolarHBondContact O-CB 3.43Å; W651-M655 WeakPolarHBondContact O-CG 3.33Å; W651-M655 PolarHBondContact O-N 2.96Å; Y652-M655 PolarHBondContact O-N 3.31Å; W653-M655 PolarHBondContact O-N 2.83Å; M655-F657 VanDerWaalsContact C-N 3.35Å; M655-F657 PolarHBondContact O-N 2.9Å; M655-Q658 PolarHBondContact O-N 2.79Å; M655-A659 WeakPolarHBondContact O-CB 3.4Å; M655-A659 PolarHBondContact O-N 3.42Å |
| 656 | R | 76.8 | Confident | 67.9 | Low | 81 Ų | 81 | 75.6 Ų | 75.6 | 31% | 0.306 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.4 | -43.5 | 174.3 | -94.6 | -80.8 | -167.2 | 166.9 | 2 | 112.1 | S428 Y652 W653 S654 A659 Q660 | S428-R656 PolarHBondContact OG-NH2 3.28Å; S428-R656 VanDerWaalsContact OG-NH2 3.09Å; Y652-R656 HydrophobicContact CD1-CG 4.35Å; Y652-R656 HydrophobicContact CE1-CG 3.8Å; Y652-R656 WeakPolarHBondContact O-CB 3.43Å; Y652-R656 PolarHBondContact O-N 3.44Å; Y652-R656 PolarHBondContact OH-NE 3.18Å; Y652-R656 PolarHBondContact OH-NH2 2.95Å; W653-R656 WeakPolarHBondContact O-CB 3.36Å; W653-R656 PolarHBondContact O-N 2.77Å; S654-R656 PolarHBondContact O-N 3.34Å; R656-A659 PolarHBondContact O-N 2.9Å; R656-Q660 PolarHBondContact O-N 2.7Å |
| 657 | F | 78.4 | Confident | 65.2 | Low | 113 Ų | 113 | 81.7 Ų | 81.7 | 50% | 0.496 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -69.9 | -40.3 | 177.7 | -76.4 | -45.5 | 0 | 0 | 0 | 112.8 | W653 S654 M655 A659 Q660 G661 | W653-F657 AromaticContact CD1-CD2 3.53Å; W653-F657 AromaticContact CD1-CE2 2.99Å; W653-F657 AromaticContact CD1-CZ 3.63Å; W653-F657 AromaticContact CE2-CE2 3.87Å; W653-F657 AromaticContact CE2-CZ 3.65Å; W653-F657 HydrophobicContact CG-CD2 4.28Å; W653-F657 HydrophobicContact CG-CE2 4.04Å; W653-F657 HydrophobicContact CZ2-CE1 4.45Å; W653-F657 HydrophobicContact CZ2-CZ 4.1Å; W653-F657 AromaticContact NE1-CD2 3.77Å; W653-F657 AromaticContact NE1-CE1 3.93Å; W653-F657 AromaticContact NE1-CE2 2.86Å; W653-F657 AromaticContact NE1-CZ 2.95Å; W653-F657 VanDerWaalsContact O-CD2 3.32Å; W653-F657 WeakPolarHBondContact O-CD2 3.08Å; W653-F657 WeakPolarHBondContact O-CG 3.46Å; W653-F657 PolarHBondContact O-N 3.48Å; S654-F657 PolarHBondContact O-N 2.7Å; M655-F657 VanDerWaalsContact C-N 3.35Å; M655-F657 PolarHBondContact O-N 2.9Å; F657-A659 VanDerWaalsContact C-N 3.26Å; F657-A659 PolarHBondContact O-N 3.1Å; F657-Q660 PolarHBondContact O-N 3.01Å; F657-G661 PolarHBondContact O-N 3.45Å; F657-G661 VanDerWaalsContact O-N 3.09Å |
| 658 | Q | 72.4 | Confident | 62.6 | Low | 71 Ų | 71 | 86.1 Ų | 86.1 | 33% | 0.332 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.7 | -37.4 | 174 | -72.8 | -178.3 | 25.5 | 0 | 0 | 111.7 | S654 M655 Q660 G661 | S654-Q658 WeakPolarHBondContact O-CG 3.29Å; S654-Q658 PolarHBondContact O-N 2.87Å; S654-Q658 PolarHBondContact OG-NE2 2.92Å; M655-Q658 PolarHBondContact O-N 2.79Å; Q658-Q660 VanDerWaalsContact C-N 3.28Å; Q658-Q660 PolarHBondContact O-N 2.95Å; Q658-G661 PolarHBondContact O-N 2.83Å |
| 659 | A | 67.5 | Low | 60.3 | Low | 86 Ų | 86 | 94 Ų | 94 | 71% | 0.711 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.6 | -23.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | M655 R656 F657 | M655-A659 WeakPolarHBondContact O-CB 3.4Å; M655-A659 PolarHBondContact O-N 3.42Å; R656-A659 PolarHBondContact O-N 2.9Å; F657-A659 VanDerWaalsContact C-N 3.26Å; F657-A659 PolarHBondContact O-N 3.1Å |
| 660 | Q | 62.6 | Low | 58 | Low | 139 Ų | 139 | 97.9 Ų | 97.9 | 65% | 0.65 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -87.7 | -20.7 | 176.2 | -72.5 | 179.2 | -9.7 | 0 | 0 | 113.2 | R656 F657 Q658 | R656-Q660 PolarHBondContact O-N 2.7Å; F657-Q660 PolarHBondContact O-N 3.01Å; Q658-Q660 VanDerWaalsContact C-N 3.28Å; Q658-Q660 PolarHBondContact O-N 2.95Å |
| 661 | G | 51.6 | Low | 55.8 | Low | 65 Ų | 65 | 101.4 Ų | 101.4 | 67% | 0.67 | 58% | 0.576 | S | S | * | * | trans | -91.2 | 9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | F657 Q658 | F657-G661 PolarHBondContact O-N 3.45Å; F657-G661 VanDerWaalsContact O-N 3.09Å; Q658-G661 PolarHBondContact O-N 2.83Å | ||
| 662 | G | 41 | Very low | 53.7 | Low | 51 Ų | 51 | 105.9 Ų | 105.9 | 53% | 0.526 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -69 | 135.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S664 | G662-S664 PolarHBondContact O-N 3.28Å; G662-S664 VanDerWaalsContact O-N 3.13Å |
| 663 | P | 37.7 | Very low | 51.8 | Low | 127 Ų | 127 | 110.3 Ų | 110.3 | 83% | 0.825 | 65% | 0.65 | S | S | * | * | trans | -65.2 | 116.1 | -173.1 | 25.2 | -31.8 | 0 | 0 | 0 | 110.6 | P665 | P663-P665 VanDerWaalsContact O-CD 3.23Å; P663-P665 WeakPolarHBondContact O-CD 3.49Å | ||
| 664 | S | 32.6 | Very low | 49.7 | Very low | 107 Ų | 107 | 115.6 Ų | 115.6 | 75% | 0.748 | 68% | 0.676 | S | S | * | * | trans | -71.3 | 112.4 | 163.7 | 41.7 | 0 | 0 | 0 | 0 | 109 | G662 | G662-S664 PolarHBondContact O-N 3.28Å; G662-S664 VanDerWaalsContact O-N 3.13Å | ||
| 665 | P | 33.2 | Very low | 47.5 | Very low | 109 Ų | 109 | 120.5 Ų | 120.5 | 71% | 0.708 | 70% | 0.697 | S | S | * | * | trans | -72.5 | 143.9 | 165 | 32.6 | -29.5 | 0 | 0 | 0 | 107.5 | P663 | P663-P665 VanDerWaalsContact O-CD 3.23Å; P663-P665 WeakPolarHBondContact O-CD 3.49Å | ||
| 666 | L | 33.6 | Very low | 45.9 | Very low | 172 Ų | 172 | 124 Ų | 124 | 90% | 0.901 | 72% | 0.724 | S | S | * | * | trans | 80.2 | 69.3 | 173.5 | -58.1 | 123.6 | 0 | 0 | 0 | 117.3 | ||||
| 667 | K | 31.8 | Very low | 43.9 | Very low | 195 Ų | 195 | 127.5 Ų | 127.5 | 85% | 0.848 | 75% | 0.747 | S | S | * | * | trans | -161.3 | 85.6 | 144.1 | -154.2 | 171.5 | -177.6 | -179 | 0 | 109.6 | ||||
| 668 | N | 31.5 | Very low | 42.2 | Very low | 155 Ų | 155 | 127.5 Ų | 127.5 | 83% | 0.829 | 76% | 0.761 | S | S | * | * | S | Bend | trans | 167.1 | 92.3 | 156.8 | -85.6 | -8.1 | 0 | 0 | 0 | 109.1 | ||
| 669 | N | 35 | Very low | 40.5 | Very low | 165 Ų | 165 | 129.5 Ų | 129.5 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | trans | 174 | 68.6 | 148 | -91 | -4.1 | 0 | 0 | 0 | 108.8 | ||||
| 670 | S | 36.2 | Very low | 39.2 | Very low | 116 Ų | 116 | 128.8 Ų | 128.8 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | -140.4 | 73.4 | 164.1 | -67.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 671 | D | 41.2 | Very low | 38.1 | Very low | 158 Ų | 158 | 128 Ų | 128 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -149.2 | 118.1 | 157 | -92.5 | -36.3 | 0 | 0 | 0 | 109.8 | ||
| 672 | S | 39.9 | Very low | 37.7 | Very low | 118 Ų | 118 | 131 Ų | 131 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | 73.1 | 83.9 | 150.7 | -58 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 673 | A | 42.5 | Very low | 37.7 | Very low | 101 Ų | 101 | 133.9 Ų | 133.9 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | -158.9 | 93.5 | 141.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 674 | K | 40.5 | Very low | 37.9 | Very low | 210 Ų | 210 | 132.5 Ų | 132.5 | 91% | 0.913 | 80% | 0.804 | S | S | * | * | trans | 30 | 119.4 | 144.5 | -68.9 | 176.4 | 175.7 | 176.9 | 0 | 120.6 | ||||
| 675 | L | 35.5 | Very low | 38.2 | Very low | 145 Ų | 145 | 131.9 Ų | 131.9 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | trans | -43.4 | 160.7 | 149.5 | -81.2 | 157.6 | 0 | 0 | 0 | 113.6 | I677 | L675-I677 HydrophobicContact CD2-CD1 4.35Å; L675-I677 HydrophobicContact CD2-CG1 4.32Å | ||
| 676 | P | 42.1 | Very low | 38.8 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | cis | -140.4 | 162.5 | 38.9 | 37.2 | -16.2 | 0 | 0 | 0 | 118.6 | ||||
| 677 | I | 35.1 | Very low | 39.2 | Very low | 153 Ų | 153 | 141.6 Ų | 141.6 | 79% | 0.785 | 83% | 0.827 | S | S | * | * | trans | -64.5 | 123.7 | 168.8 | -65.2 | 160 | 0 | 0 | 0 | 109.2 | L675 | L675-I677 HydrophobicContact CD2-CD1 4.35Å; L675-I677 HydrophobicContact CD2-CG1 4.32Å | ||
| 678 | S | 42 | Very low | 39.6 | Very low | 114 Ų | 114 | 139 Ų | 139 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | trans | -123.5 | 109.7 | 157.7 | -177.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 679 | S | 38.5 | Very low | 40 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 78% | 0.783 | 83% | 0.825 | S | S | * | * | trans | -51.8 | 137.3 | 163.4 | 47.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 680 | G | 39 | Very low | 40.3 | Very low | 71 Ų | 71 | 136.6 Ų | 136.6 | 73% | 0.732 | 82% | 0.822 | S | S | * | * | trans | 173.8 | 67.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | T682 | G680-T682 PolarHBondContact O-N 3.48Š| ||
| 681 | S | 39.2 | Very low | 40.6 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | trans | -69.2 | 110.3 | 159.6 | 52 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 682 | T | 43.6 | Very low | 40.5 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | trans | -107.2 | 115.1 | 152.1 | 41.9 | 0 | 0 | 0 | 0 | 106.1 | G680 | G680-T682 PolarHBondContact O-N 3.48Š| ||
| 683 | S | 41.9 | Very low | 40.6 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | 46 | 130.8 | 97.1 | 160.1 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 684 | S | 40.8 | Very low | 40.4 | Very low | 98 Ų | 98 | 140.4 Ų | 140.4 | 69% | 0.685 | 82% | 0.82 | S | S | * | * | cis | 179.7 | 167.8 | 2.7 | 176.7 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 685 | S | 40.2 | Very low | 40.4 | Very low | 95 Ų | 95 | 135.1 Ų | 135.1 | 66% | 0.664 | 81% | 0.813 | S | S | * | * | trans | 68.2 | 117.4 | 160 | 56.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 686 | R | 44.3 | Very low | 40.8 | Very low | 243 Ų | 243 | 134.3 Ų | 134.3 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | 56.7 | 111 | 107.1 | -62.7 | -176.7 | -161.9 | -179.2 | 5.5 | 111.1 | |||||
| 687 | I | 43.2 | Very low | 40.7 | Very low | 242 Ų | 242 | 135.5 Ų | 135.5 | 100% | 1.241 | 82% | 0.82 | S | S | * | * | -147.4 | 0 | 57.1 | -80.6 | 160.4 | 0 | 0 | 0 | 109.2 |
Retrieved 687 of 687 residues in 200 ms
(Link to these results)